A0A077ZFH2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFH2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,634 aa.

>A0A077ZFH2_TRITR|A0A077ZFH2
MPTANERPHYSEYITAEHVWSMLSSTVEPPAAEKETFIRSGREILELSSRYFATRPDSSAPVQCPPDFKTANPVLKDFVEEAASLLQLDFEDAYQCFCCFLLYEFSCDRRDIHEVLQERAQSRELCRVFGCYVKTEQIYLVRCCTELIKAAYFGDRSWLDHLVRSACEYFARDKFTLKLVTYYEFLRGNQVHRELLSDQIVSLNLALQAEILTFLVWTFHAFDMEASWISPTLNLFRDGIYDLESRNLTSMSAEETKWCLGNLRSLENLLFMKMCSIENLALRLTNELEGCDSFNHWLSENFCRPFQDVMTTLCPCKLHAAVYMFWAVNREMCCLIAESSDGSCTLKRDSFWKFSITAKEFEWLVSCTHCLKQLKSFLDDDTYVMACGTVYVAVNQCLSLFELDSLGNYESLLELSEVLLCCDSIAADVFATAFNSGIGELFRDTVYQFPCCFKDPLALLSAIASTSAENAVVVFNLFLKLPCCSEPLANIDTSTLVTLDVQEGDVVYQAKKSHYFFDSSSNLCIPKGTLGTVCDRFNSIQWKMFYNGWQFCISEVNRLRDRNDPEAVARKIAIFRLVRQVLQSEANLIDWMYLYFSLSVFTFSSYHEPSLVFSTEMTRLFAAFARQCAHQVLSHLIFSGLFRLSPESSDIYSQLIAKALHDEEGEEFLAAYLQLCVNLLDTPLEAQYHAALLHCASLALLKLLSGSETWNEPLGRRWASVSFLSMRVIQLCLQTLPEVSVTEEDRLRKSELRALCEHTMLYTNSRSLMLRIIATGEPALSRILSANRSIEVRSTVVDALVCAFSNLNSLVSNFFLDEKNTLPPLMKNLFNGLEGNPTPLLTIIAKYLYSRLCVRVTVMAVSLLTTVASKFPGALLSTFGPFVGAFCDIFTLRVQASTKEPSLTVHCLNFLSVAIECQFGLVEQLLAEPEASSRPQGDEESDKVLTGGIFNSLVKIVQEVAITNDIHTAVMNVLEKVWMFNCQSIVNCLKRVENIWPILCAPLSADEFSFFPLLAAPVWNILACELCSGNKIEGTLKTLLLDLCCSERIELITKKICAMCHGQIGLSDKLRVLKAFRDFLQASCEHCKELWTNAALNRILTSFQSLLVKLISECASESDLPLIYIVGTITFIVISEPTFTFNVPPTLSKVSHILVSVAESSTGSNMLTTFCMAVLPTLSVVLKKCAMDKESDPSVSHIFTLILDRCCMIYSAILTSSFKPTGDYLNFADWNSAFTAVVLLFLSVLNSLLEKVPVSITSDLLERYDTWTHTLSLLYELNPDRCSALICAVCGFFGNIFFDESGLTKICLGKLADYLTLATYEVDEESSLTRFEAAVLFFSKGASTLGQRFVSEISAFVAAHREQFLAVCSSFKERRNATLRVMHLFDAFTELEPRCSVDDFDPQSLMCDCCCKLAVVLLWKLAKPGLTPTDDHLLHLLFLLFSVLLRFTPSLVDFAQGICCVDVEAYKLMVRPDFGQHFTSDEGLQAELTFGQLLHCAQQFAASIRQYDSSKSGVRSPGHQLVAFIISTPEQRALAETTLECLFCFILSQMSLYTCHPNTATSVGSVVRVETATEVNQLVEWCLRPVRASPKMALRKYREDSVKVSPALNYIWQYASSALRCGKIPLGGVPDSTR
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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
1M33.5Very low30.8Very low135 Ų135121 Ų12167%0.66563%0.629SS**  0146.40-80.6-79.917700108.5T3 L102M1-T3 PolarHBondContact O-N 3.05Å; M1-T3 VanDerWaalsContact O-N 3.09Å; M1-L102 HydrophobicContact CE-CD1 4.49Å; M1-L102 HydrophobicContact CE-CD2 3.4Å; M1-L102 HydrophobicContact CE-CG 3.8Å
2P27.4Very low32.3Very low77 Ų77122.8 Ų122.850%0.563%0.632SS.*  trans-63.8114.3-1723.85.7000110.3A4P2-A4 PolarHBondContact O-N 3.37Å
3T27.1Very low34.1Very low129 Ų129119.9 Ų119.979%0.79161%0.609SS**  trans-84.637.5170.5480000111.2M1M1-T3 PolarHBondContact O-N 3.05Å; M1-T3 VanDerWaalsContact O-N 3.09Å
4A26.1Very low36.2Very low72 Ų72115.8 Ų115.860%0.59559%0.588SS**SBendtrans-127.488.6-17500000111.2P2 E6P2-A4 PolarHBondContact O-N 3.37Å; A4-E6 VanDerWaalsContact C-N 3.28Å; A4-E6 PolarHBondContact O-N 2.88Å
5N27.2Very low38.4Very low176 Ų176108.4 Ų108.494%0.94155%0.551SS**SBendtrans52.5-4151.8-75.3-9.3000123
6E26.9Very low40.6Very low171 Ų171101.9 Ų101.980%0.79952%0.519SS*.SBendtrans-129.2116.3167.1-72.3178.8173.600108.1A4 P8A4-E6 VanDerWaalsContact C-N 3.28Å; A4-E6 PolarHBondContact O-N 2.88Å; E6-P8 VanDerWaalsContact O-CD 3.31Å; E6-P8 WeakPolarHBondContact O-CD 3.33Å; E6-P8 VanDerWaalsContact O-N 3.09Å
7R27.8Very low42.5Very low210 Ų21096.5 Ų96.579%0.79249%0.491SS*.  trans-53.8119.2173.1-72.2175.5174.6163.5-1.4106.3H9R7-H9 VanDerWaalsContact C-N 3.31Å; R7-H9 PolarHBondContact O-N 2.71Å
8P30.4Very low44Very low52 Ų5294.4 Ų94.434%0.33848%0.479SS..  trans-62.5109.2164.326.6-28.5000104E6 Y10E6-P8 VanDerWaalsContact O-CD 3.31Å; E6-P8 WeakPolarHBondContact O-CD 3.33Å; E6-P8 VanDerWaalsContact O-N 3.09Å; P8-Y10 VanDerWaalsContact C-N 3.32Å; P8-Y10 PolarHBondContact O-N 2.96Å
9H35.5Very low45.4Very low131 Ų13189.7 Ų89.761%0.60646%0.455SS*.  trans-58.9109165.8-86.2-84.4000104.3R7 S11 E12R7-H9 VanDerWaalsContact C-N 3.31Å; R7-H9 PolarHBondContact O-N 2.71Å; H9-S11 WeakPolarHBondContact CB-OG 3.28Å; H9-S11 PolarHBondContact O-N 3.25Å; H9-E12 PolarHBondContact O-N 2.98Å
10Y37.1Very low46.9Very low116 Ų11686.2 Ų86.246%0.45544%0.436SS..THydrogen-bonded Turntrans-52.3-8.2176.3-74.5-88.4000112.6P8 L102P8-Y10 VanDerWaalsContact C-N 3.32Å; P8-Y10 PolarHBondContact O-N 2.96Å; Y10-L102 HydrophobicContact CD1-CD2 4.18Å; Y10-L102 HydrophobicContact CE1-CD2 3.79Å
11S39.7Very low48Very low62 Ų6284.1 Ų84.143%0.43443%0.43SS..THydrogen-bonded Turntrans-73.3-9.4176.662.70000116.6H9H9-S11 WeakPolarHBondContact CB-OG 3.28Å; H9-S11 PolarHBondContact O-N 3.25Å
12E49.1Very low49.6Very low142 Ų14278.8 Ų78.866%0.66440%0.403SS*.SBendtrans-99.1-14.9-169.9-70.5-175.7165.800115.9H9 I14H9-E12 PolarHBondContact O-N 2.98Å; E12-I14 PolarHBondContact O-N 3.47Å
13Y56.1Low51.7Low86 Ų8675.4 Ų75.434%0.33738%0.381SS..  trans-99.681.8-176-64.2-80000112.2Y103Y13-Y103 PolarHBondContact O-OH 3.12Å
14I63Low53.6Low62 Ų6271.3 Ų71.332%0.31836%0.358SS..  trans-81.4123.3171.6-62172.1000108.9E12 H18 V19E12-I14 PolarHBondContact O-N 3.47Å; I14-H18 HydrophobicContact CG2-CB 4.47Å; I14-V19 HydrophobicContact CG2-CG2 3.36Å
15T69.7Low55.4Low5 Ų570 Ų703%0.03134%0.344CS..  trans-82.9154.4175.262.80000111.8E17 H18 V19 Y103 E136T15-E17 PolarHBondContact O-N 2.73Å; T15-H18 PolarHBondContact O-N 3.23Å; T15-H18 VanDerWaalsContact O-N 3.1Å; T15-V19 PolarHBondContact O-N 2.93Å; T15-Y103 HydrophobicContact CG2-CD2 3.82Å; T15-Y103 HydrophobicContact CG2-CE2 3.66Å; T15-E136 WeakPolarHBondContact CB-OE1 3.42Å
16A72.7Confident56.9Low4 Ų467.8 Ų67.83%0.03334%0.337CS..Hα-helixtrans-60.9-34.7179.200000111.7H18 V19 W20 E136 L140A16-H18 VanDerWaalsContact C-N 3.34Å; A16-H18 PolarHBondContact O-N 3.32Å; A16-V19 PolarHBondContact O-N 2.68Å; A16-W20 PolarHBondContact O-N 2.96Å; A16-E136 WeakPolarHBondContact CB-OE2 3.3Å; A16-E136 PolarHBondContact N-OE2 3.49Å; A16-L140 HydrophobicContact CB-CB 4.49Å; A16-L140 HydrophobicContact CB-CD2 3.56Å; A16-L140 HydrophobicContact CB-CG 3.61Å
17E73.2Confident58.4Low11 Ų1164.7 Ų64.75%0.05133%0.33CS..Hα-helixtrans-55.9-44.8173.3-174.5-171.7179.400112.9T15 W20 S21 Y139 R851 L852T15-E17 PolarHBondContact O-N 2.73Å; E17-W20 PolarHBondContact O-N 3.06Å; E17-S21 PolarHBondContact O-N 2.62Å; E17-Y139 HydrophobicContact CB-CD1 4.47Å; E17-Y139 HydrophobicContact CB-CD2 3.74Å; E17-Y139 HydrophobicContact CB-CE2 4.04Å; E17-Y139 HydrophobicContact CB-CG 4Å; E17-Y139 HydrophobicContact CG-CD1 4.46Å; E17-Y139 HydrophobicContact CG-CD2 3.95Å; E17-Y139 HydrophobicContact CG-CE1 4.25Å; E17-Y139 HydrophobicContact CG-CE2 3.72Å; E17-Y139 HydrophobicContact CG-CG 4.35Å; E17-R851 WeakPolarHBondContact OE2-CD 3.26Å; E17-R851 IonicContact OE2-CZ 2.73Å; E17-R851 IonicContact OE2-NE 2.76Å; E17-R851 IonicContact OE2-NH1 3.14Å; E17-L852 HydrophobicContact CG-CD2 3.56Å; E17-L852 HydrophobicContact CG-CG 4.39Å; E17-L852 WeakPolarHBondContact OE1-CD2 3.35Å; E17-L852 WeakPolarHBondContact OE1-CG 3.35Å
18H68.9Low60.1Low59 Ų5959.7 Ų59.727%0.27332%0.316SS..Hα-helixtrans-67.4-40.1-179.9-175.955.2000111.4I14 T15 A16 S21 M22 T898I14-H18 HydrophobicContact CG2-CB 4.47Å; T15-H18 PolarHBondContact O-N 3.23Å; T15-H18 VanDerWaalsContact O-N 3.1Å; A16-H18 VanDerWaalsContact C-N 3.34Å; A16-H18 PolarHBondContact O-N 3.32Å; H18-S21 WeakPolarHBondContact O-CB 3.21Å; H18-S21 PolarHBondContact O-N 3.06Å; H18-M22 WeakPolarHBondContact CD2-CE 3.31Å; H18-M22 WeakPolarHBondContact NE2-CE 3.4Å; H18-M22 PolarHBondContact O-N 3.25Å; H18-M22 VanDerWaalsContact O-N 3.09Å; H18-T898 WeakPolarHBondContact NE2-CG2 3.34Å
19V71Confident61.7Low4 Ų458 Ų582%0.02431%0.305CS..Hα-helixtrans-65.4-42.1177.2174.50000111.8I14 T15 A16 S21 M22 L23 F37 I44I14-V19 HydrophobicContact CG2-CG2 3.36Å; T15-V19 PolarHBondContact O-N 2.93Å; A16-V19 PolarHBondContact O-N 2.68Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 2.99Å; V19-M22 HydrophobicContact CG2-CE 4.09Å; V19-M22 PolarHBondContact O-N 3.33Å; V19-M22 VanDerWaalsContact O-N 3.16Å; V19-L23 HydrophobicContact CG1-CD1 4.07Å; V19-L23 HydrophobicContact CG1-CG 4.35Å; V19-L23 WeakPolarHBondContact O-CG 3.35Å; V19-L23 PolarHBondContact O-N 3.26Å; V19-F37 HydrophobicContact CB-CE2 4.44Å; V19-F37 HydrophobicContact CG1-CE2 3.76Å; V19-F37 HydrophobicContact CG1-CZ 4.13Å; V19-I44 HydrophobicContact CB-CD1 3.68Å; V19-I44 HydrophobicContact CG1-CD1 3.62Å; V19-I44 HydrophobicContact CG2-CD1 3.14Å
20W75.6Confident62.9Low19 Ų1955.6 Ų55.67%0.07230%0.301CS..Hα-helixtrans-62.5-39.8175.4179.574.5000112.1A16 E17 M22 L23 S24 Y139 R142 C143 L852A16-W20 PolarHBondContact O-N 2.96Å; E17-W20 PolarHBondContact O-N 3.06Å; W20-M22 VanDerWaalsContact C-N 3.28Å; W20-M22 PolarHBondContact O-N 3.12Å; W20-L23 PolarHBondContact O-N 3.25Å; W20-S24 WeakPolarHBondContact O-CB 3.45Å; W20-S24 PolarHBondContact O-N 2.91Å; W20-S24 PolarHBondContact O-OG 3.2Å; W20-Y139 HydrophobicContact CB-CD1 3.94Å; W20-Y139 AromaticContact CD2-CD1 3.91Å; W20-Y139 HydrophobicContact CD2-CD1 3.91Å; W20-Y139 HydrophobicContact CD2-CE1 4Å; W20-Y139 AromaticContact CE3-CD1 3.83Å; W20-Y139 HydrophobicContact CE3-CD1 3.83Å; W20-Y139 AromaticContact CE3-CE1 3.51Å; W20-Y139 HydrophobicContact CE3-CE1 3.51Å; W20-Y139 AromaticContact CG-CD1 3.98Å; W20-Y139 HydrophobicContact CG-CD1 3.98Å; W20-Y139 HydrophobicContact CH2-CE1 4.44Å; W20-Y139 HydrophobicContact CZ3-CD1 4.5Å; W20-Y139 AromaticContact CZ3-CE1 3.77Å; W20-Y139 HydrophobicContact CZ3-CE1 3.77Å; W20-R142 VanDerWaalsContact CD1-CB 3.44Å; W20-R142 HydrophobicContact CG-CB 4.19Å; W20-C143 VanDerWaalsContact CA-SG 3.6Å; W20-C143 VanDerWaalsContact CB-SG 3.57Å; W20-C143 PolarHBondContact N-SG 2.98Å; W20-C143 VanDerWaalsContact N-SG 3.41Å; W20-L852 HydrophobicContact CZ3-CD2 4.42Å
21S69Low63.8Low43 Ų4354 Ų5430%0.30131%0.312SS..Hα-helixtrans-59.9-39.2174.2-173.80000112E17 H18 V19 S24 S25E17-S21 PolarHBondContact O-N 2.62Å; H18-S21 WeakPolarHBondContact O-CB 3.21Å; H18-S21 PolarHBondContact O-N 3.06Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 2.99Å; S21-S24 PolarHBondContact O-OG 2.99Å; S21-S25 WeakPolarHBondContact O-CB 3.42Å; S21-S25 PolarHBondContact O-N 3.4Å; S21-S25 VanDerWaalsContact O-N 3.15Å
22M68.3Low64.6Low23 Ų2354.8 Ų54.811%0.11332%0.322CS..Hα-helixtrans-69.8-44175.4-70.5-175.2-76.600112H18 V19 W20 S24 S25 F37H18-M22 WeakPolarHBondContact CD2-CE 3.31Å; H18-M22 WeakPolarHBondContact NE2-CE 3.4Å; H18-M22 PolarHBondContact O-N 3.25Å; H18-M22 VanDerWaalsContact O-N 3.09Å; V19-M22 HydrophobicContact CG2-CE 4.09Å; V19-M22 PolarHBondContact O-N 3.33Å; V19-M22 VanDerWaalsContact O-N 3.16Å; W20-M22 VanDerWaalsContact C-N 3.28Å; W20-M22 PolarHBondContact O-N 3.12Å; M22-S24 VanDerWaalsContact C-N 3.35Å; M22-S24 PolarHBondContact O-N 2.77Å; M22-S25 PolarHBondContact O-N 2.62Å; M22-S25 PolarHBondContact O-OG 3.18Å; M22-F37 HydrophobicContact CB-CD2 4.27Å; M22-F37 HydrophobicContact CB-CE2 3.75Å; M22-F37 HydrophobicContact CE-CD2 3.48Å; M22-F37 VanDerWaalsContact CE-CD2 3.48Å; M22-F37 HydrophobicContact CE-CE2 3.74Å; M22-F37 HydrophobicContact SD-CD2 3.75Å; M22-F37 HydrophobicContact SD-CE2 4.16Å
23L71.5Confident65.2Low6 Ų651 Ų513%0.03130%0.304CS..Hα-helixtrans-63-38.1178.5-75.4173.1000113V19 W20 F37 C143 E146 L147 R156 L159V19-L23 HydrophobicContact CG1-CD1 4.07Å; V19-L23 HydrophobicContact CG1-CG 4.35Å; V19-L23 WeakPolarHBondContact O-CG 3.35Å; V19-L23 PolarHBondContact O-N 3.26Å; W20-L23 PolarHBondContact O-N 3.25Å; L23-F37 HydrophobicContact CD2-CE1 4.14Å; L23-F37 HydrophobicContact CD2-CZ 3.61Å; L23-F37 HydrophobicContact CG-CZ 3.82Å; L23-C143 HydrophobicContact CD1-CB 3.87Å; L23-E146 HydrophobicContact CB-CB 4.34Å; L23-E146 HydrophobicContact CD1-CB 4.5Å; L23-L147 HydrophobicContact CD1-CG 4.3Å; L23-L147 HydrophobicContact CD2-CD2 3.96Å; L23-R156 PolarHBondContact O-NH1 2.81Å; L23-L159 HydrophobicContact CD2-CD1 4.23Å; L23-L159 HydrophobicContact CD2-CD2 4Å
24S67.4Low65.6Low44 Ų4449.5 Ų49.531%0.30830%0.299SS..Hα-helixtrans-79.2-28.5179.855.50000112.7W20 S21 M22 T26 R156W20-S24 WeakPolarHBondContact O-CB 3.45Å; W20-S24 PolarHBondContact O-N 2.91Å; W20-S24 PolarHBondContact O-OG 3.2Å; S21-S24 PolarHBondContact O-OG 2.99Å; M22-S24 VanDerWaalsContact C-N 3.35Å; M22-S24 PolarHBondContact O-N 2.77Å; S24-T26 PolarHBondContact O-N 2.91Å; S24-R156 PolarHBondContact O-NH2 2.95Å
25S63.6Low65.6Low44 Ų4453.9 Ų53.931%0.30832%0.318SS..  trans-60.3137178.176.80000111.5S21 M22 V27 R156S21-S25 WeakPolarHBondContact O-CB 3.42Å; S21-S25 PolarHBondContact O-N 3.4Å; S21-S25 VanDerWaalsContact O-N 3.15Å; M22-S25 PolarHBondContact O-N 2.62Å; M22-S25 PolarHBondContact O-OG 3.18Å; S25-V27 VanDerWaalsContact C-N 3.25Å; S25-V27 PolarHBondContact OG-O 2.83Å; S25-R156 PolarHBondContact O-NH1 3.22Å
26T58Low65.3Low129 Ų12957.6 Ų57.679%0.79134%0.341SS*.SBendtrans-78.6-11.1177.750.40000112.9S24S24-T26 PolarHBondContact O-N 2.91Å
27V59.5Low65Low106 Ų10657.5 Ų57.564%0.64234%0.34SS*.SBendtrans-91.8129.8-174.7-176.40000110S25S25-V27 VanDerWaalsContact C-N 3.25Å; S25-V27 PolarHBondContact OG-O 2.83Å
28E61.8Low64.7Low106 Ų10659.2 Ų59.250%0.49535%0.349SS..PPolyproline II helixtrans-66.6128.2175.7-172.8176-172.800110.5K34 W158E28-K34 IonicContact OE1-NZ 3.28Å; E28-K34 PolarHBondContact OE1-NZ 3.24Å; E28-W158 HydrophobicContact CG-CB 4.37Å; E28-W158 HydrophobicContact CG-CD2 4.36Å; E28-W158 HydrophobicContact CG-CG 4.02Å; E28-W158 WeakPolarHBondContact OE1-CB 3.45Å
29P63.9Low64.6Low17 Ų1765 Ų6511%0.1137%0.368CS..PPolyproline II helixtrans-68.9151.4177.427.9-34.1000111.5E33 W158P29-E33 HydrophobicContact CB-CB 4.15Å; P29-W158 HydrophobicContact CG-CE3 4.4Å; P29-W158 HydrophobicContact CG-CH2 3.87Å; P29-W158 HydrophobicContact CG-CZ2 4.38Å; P29-W158 HydrophobicContact CG-CZ3 3.87Å
30P61.3Low64.3Low80 Ų8065.1 Ų65.152%0.51937%0.369SS..PPolyproline II helixtrans-57.4151.2176.122.9-32.4000112.1A32 E33 K34P30-A32 VanDerWaalsContact C-N 3.27Å; P30-A32 PolarHBondContact O-N 3.23Å; P30-E33 WeakPolarHBondContact CD-OE2 3.36Å; P30-E33 HydrophobicContact CG-CB 4.15Å; P30-E33 HydrophobicContact CG-CG 3.96Å; P30-E33 WeakPolarHBondContact CG-OE2 3.48Å; P30-E33 WeakPolarHBondContact O-CA 3.33Å; P30-E33 WeakPolarHBondContact O-CB 3.12Å; P30-E33 PolarHBondContact O-N 3.45Å; P30-K34 PolarHBondContact O-N 3.34Å
31A56.4Low63.8Low83 Ų8364.4 Ų64.469%0.68637%0.368SS*.Hα-helixtrans-55.4-34.1-16800000115.5K34 E35A31-K34 WeakPolarHBondContact O-CB 3.22Å; A31-K34 PolarHBondContact O-N 3.42Å; A31-E35 PolarHBondContact O-N 3.28Å
32A57.2Low63.7Low78 Ų7869.3 Ų69.365%0.64538%0.38SS*.Hα-helixtrans-69.4-35.7176.700000112.6P30 T36P30-A32 VanDerWaalsContact C-N 3.27Å; P30-A32 PolarHBondContact O-N 3.23Å; A32-T36 PolarHBondContact O-N 2.81Å; A32-T36 PolarHBondContact O-OG1 3.15Å
33E60.3Low63.7Low62 Ų6272.5 Ų72.529%0.2940%0.395SS..Hα-helixtrans-72.9-33.9173.5-69.5179-172.900110.5P29 P30 E35 T36 F37P29-E33 HydrophobicContact CB-CB 4.15Å; P30-E33 WeakPolarHBondContact CD-OE2 3.36Å; P30-E33 HydrophobicContact CG-CB 4.15Å; P30-E33 HydrophobicContact CG-CG 3.96Å; P30-E33 WeakPolarHBondContact CG-OE2 3.48Å; P30-E33 WeakPolarHBondContact O-CA 3.33Å; P30-E33 WeakPolarHBondContact O-CB 3.12Å; P30-E33 PolarHBondContact O-N 3.45Å; E33-E35 PolarHBondContact O-N 2.98Å; E33-T36 VanDerWaalsContact CA-OG1 3.31Å; E33-T36 WeakPolarHBondContact CA-OG1 3.03Å; E33-T36 PolarHBondContact O-OG1 3.08Å; E33-F37 WeakPolarHBondContact O-CA 3.37Å; E33-F37 WeakPolarHBondContact O-CB 3.49Å; E33-F37 PolarHBondContact O-N 2.71Å
34K64.6Low63.4Low55 Ų5572.9 Ų72.924%0.23940%0.396CS..Hα-helixtrans-61.2-44177-173.5173.2178167.80113.3E28 P30 A31 I38 W158E28-K34 IonicContact OE1-NZ 3.28Å; E28-K34 PolarHBondContact OE1-NZ 3.24Å; P30-K34 PolarHBondContact O-N 3.34Å; A31-K34 WeakPolarHBondContact O-CB 3.22Å; A31-K34 PolarHBondContact O-N 3.42Å; K34-I38 HydrophobicContact CG-CD1 4.03Å; K34-I38 WeakPolarHBondContact O-CB 3.44Å; K34-I38 WeakPolarHBondContact O-CD1 3.44Å; K34-I38 WeakPolarHBondContact O-CG1 3.41Å; K34-I38 PolarHBondContact O-N 3.37Å; K34-W158 HydrophobicContact CG-CE3 4.41Å
35E63.4Low63.5Low153 Ų15371.1 Ų71.172%0.71538%0.384SS*.Hα-helixtrans-70.8-43.6-179.8-171.1173.8-172.900112.1A31 E33 F37 I38 R39A31-E35 PolarHBondContact O-N 3.28Å; E33-E35 PolarHBondContact O-N 2.98Å; E35-F37 VanDerWaalsContact C-N 3.31Å; E35-F37 PolarHBondContact O-N 2.82Å; E35-I38 PolarHBondContact O-N 2.93Å; E35-R39 PolarHBondContact O-N 3.12Å; E35-R39 VanDerWaalsContact O-N 3.1Å
36T63.7Low63.8Low83 Ų8373.8 Ų73.851%0.50939%0.391SS..Hα-helixtrans-64-39174.150.10000111.3A32 E33 R39 S40A32-T36 PolarHBondContact O-N 2.81Å; A32-T36 PolarHBondContact O-OG1 3.15Å; E33-T36 VanDerWaalsContact CA-OG1 3.31Å; E33-T36 WeakPolarHBondContact CA-OG1 3.03Å; E33-T36 PolarHBondContact O-OG1 3.08Å; T36-R39 PolarHBondContact O-N 3.24Å; T36-S40 WeakPolarHBondContact O-CB 3.38Å; T36-S40 PolarHBondContact O-N 3.43Å; T36-S40 PolarHBondContact O-OG 3.48Å
37F66.8Low64.2Low3 Ų370 Ų701%0.01337%0.366CS..Hα-helixtrans-62.2-50.6174.8-179.1-94.7000112.1V19 M22 L23 E33 E35 R39 S40 G41 W158 L159 L162V19-F37 HydrophobicContact CB-CE2 4.44Å; V19-F37 HydrophobicContact CG1-CE2 3.76Å; V19-F37 HydrophobicContact CG1-CZ 4.13Å; M22-F37 HydrophobicContact CB-CD2 4.27Å; M22-F37 HydrophobicContact CB-CE2 3.75Å; M22-F37 HydrophobicContact CE-CD2 3.48Å; M22-F37 VanDerWaalsContact CE-CD2 3.48Å; M22-F37 HydrophobicContact CE-CE2 3.74Å; M22-F37 HydrophobicContact SD-CD2 3.75Å; M22-F37 HydrophobicContact SD-CE2 4.16Å; L23-F37 HydrophobicContact CD2-CE1 4.14Å; L23-F37 HydrophobicContact CD2-CZ 3.61Å; L23-F37 HydrophobicContact CG-CZ 3.82Å; E33-F37 WeakPolarHBondContact O-CA 3.37Å; E33-F37 WeakPolarHBondContact O-CB 3.49Å; E33-F37 PolarHBondContact O-N 2.71Å; E35-F37 VanDerWaalsContact C-N 3.31Å; E35-F37 PolarHBondContact O-N 2.82Å; F37-R39 VanDerWaalsContact C-N 3.28Å; F37-R39 PolarHBondContact O-N 3Å; F37-S40 WeakPolarHBondContact CA-OG 3.29Å; F37-S40 CarbonylContact O-C 3.56Å; F37-S40 PolarHBondContact O-N 3.25Å; F37-S40 PolarHBondContact O-OG 3.17Å; F37-G41 PolarHBondContact O-N 3.08Å; F37-W158 HydrophobicContact CD1-CH2 4.42Å; F37-W158 AromaticContact CD1-CZ3 3.86Å; F37-W158 HydrophobicContact CD1-CZ3 3.86Å; F37-W158 HydrophobicContact CE1-CH2 4.09Å; F37-W158 AromaticContact CE1-CZ3 3.84Å; F37-W158 HydrophobicContact CE1-CZ3 3.84Å; F37-L159 HydrophobicContact CE1-CD2 3.85Å; F37-L162 HydrophobicContact CD1-CD2 4.42Å; F37-L162 HydrophobicContact CE1-CD2 3.74Å; F37-L162 HydrophobicContact CZ-CD2 4.48Å
38I65.8Low64.6Low46 Ų4664.9 Ų64.924%0.23634%0.335CS..Hα-helixtrans-60.5-40179.1-69.9164.1000111K34 E35 G41 R42K34-I38 HydrophobicContact CG-CD1 4.03Å; K34-I38 WeakPolarHBondContact O-CB 3.44Å; K34-I38 WeakPolarHBondContact O-CD1 3.44Å; K34-I38 WeakPolarHBondContact O-CG1 3.41Å; K34-I38 PolarHBondContact O-N 3.37Å; E35-I38 PolarHBondContact O-N 2.93Å; I38-G41 PolarHBondContact O-N 3.11Å; I38-R42 PolarHBondContact O-N 2.93Å
39R67.1Low64.8Low180 Ų18060.6 Ų60.668%0.67932%0.317SS*.Hα-helixtrans-63.9-49.8174.8-178.8176.6163.2170.8-6.6111.3E35 T36 F37 G41 R42 E43E35-R39 PolarHBondContact O-N 3.12Å; E35-R39 VanDerWaalsContact O-N 3.1Å; T36-R39 PolarHBondContact O-N 3.24Å; F37-R39 VanDerWaalsContact C-N 3.28Å; F37-R39 PolarHBondContact O-N 3Å; R39-G41 VanDerWaalsContact C-N 3.29Å; R39-G41 PolarHBondContact O-N 3.13Å; R39-R42 PolarHBondContact O-N 3.36Å; R39-E43 IonicContact NE-OE1 3.93Å; R39-E43 PolarHBondContact O-N 2.99Å
40S64.8Low65Low7 Ų766.5 Ų66.55%0.04934%0.337CS..Hα-helixtrans-64.3-31.417871.20000112.9T36 F37 R42 E43 I44T36-S40 WeakPolarHBondContact O-CB 3.38Å; T36-S40 PolarHBondContact O-N 3.43Å; T36-S40 PolarHBondContact O-OG 3.48Å; F37-S40 WeakPolarHBondContact CA-OG 3.29Å; F37-S40 CarbonylContact O-C 3.56Å; F37-S40 PolarHBondContact O-N 3.25Å; F37-S40 PolarHBondContact O-OG 3.17Å; S40-R42 VanDerWaalsContact C-N 3.31Å; S40-R42 PolarHBondContact O-N 3.48Å; S40-E43 CarbonylContact O-C 3.29Å; S40-E43 WeakPolarHBondContact O-CB 3.43Å; S40-E43 PolarHBondContact O-N 3.11Å; S40-E43 VanDerWaalsContact O-N 3.17Å; S40-I44 WeakPolarHBondContact O-CB 3.38Å; S40-I44 VanDerWaalsContact O-CG1 3.23Å; S40-I44 WeakPolarHBondContact O-CG1 3.33Å; S40-I44 PolarHBondContact O-N 3.35Å
41G64.6Low65.3Low5 Ų564 Ų645%0.05232%0.317CS..Hα-helixtrans-64.5-34.9177.900000112.4F37 I38 R39 I44 L45F37-G41 PolarHBondContact O-N 3.08Å; I38-G41 PolarHBondContact O-N 3.11Å; R39-G41 VanDerWaalsContact C-N 3.29Å; R39-G41 PolarHBondContact O-N 3.13Å; G41-I44 PolarHBondContact O-N 3.39Å; G41-L45 WeakPolarHBondContact O-CG 3.34Å; G41-L45 PolarHBondContact O-N 2.84Å; G41-L45 VanDerWaalsContact O-N 3.11Å
42R67.3Low65.8Low146 Ų14660 Ų6055%0.55129%0.285SS*.Hα-helixtrans-69-44.1171.1-70.4-175.2177.7-1760.2111.7I38 R39 S40 I44 L45 E46I38-R42 PolarHBondContact O-N 2.93Å; R39-R42 PolarHBondContact O-N 3.36Å; S40-R42 VanDerWaalsContact C-N 3.31Å; S40-R42 PolarHBondContact O-N 3.48Å; R42-I44 PolarHBondContact O-N 3.19Å; R42-L45 PolarHBondContact O-N 3Å; R42-E46 PolarHBondContact O-N 3.42Å
43E68Low65.9Low90 Ų9058.7 Ų58.742%0.42127%0.274SS..Hα-helixtrans-59.6-35.6175.5-66.5170.2-173.400110.9R39 S40 E46 L47R39-E43 IonicContact NE-OE1 3.93Å; R39-E43 PolarHBondContact O-N 2.99Å; S40-E43 CarbonylContact O-C 3.29Å; S40-E43 WeakPolarHBondContact O-CB 3.43Å; S40-E43 PolarHBondContact O-N 3.11Å; S40-E43 VanDerWaalsContact O-N 3.17Å; E43-E46 PolarHBondContact O-N 2.92Å; E43-L47 WeakPolarHBondContact O-CB 3.35Å; E43-L47 WeakPolarHBondContact O-CG 3.42Å; E43-L47 PolarHBondContact O-N 3.36Å
44I66.7Low65.7Low13 Ų1358.4 Ų58.47%0.06728%0.276CS..Hα-helixtrans-69.7-40.7176.3-72.7165.5000112.6V19 S40 G41 R42 E46 L47 S48 L140V19-I44 HydrophobicContact CB-CD1 3.68Å; V19-I44 HydrophobicContact CG1-CD1 3.62Å; V19-I44 HydrophobicContact CG2-CD1 3.14Å; S40-I44 WeakPolarHBondContact O-CB 3.38Å; S40-I44 VanDerWaalsContact O-CG1 3.23Å; S40-I44 WeakPolarHBondContact O-CG1 3.33Å; S40-I44 PolarHBondContact O-N 3.35Å; G41-I44 PolarHBondContact O-N 3.39Å; R42-I44 PolarHBondContact O-N 3.19Å; I44-E46 VanDerWaalsContact C-N 3.29Å; I44-E46 PolarHBondContact O-N 3.49Å; I44-L47 PolarHBondContact O-N 3.15Å; I44-S48 WeakPolarHBondContact O-CB 3.46Å; I44-S48 PolarHBondContact O-N 3.47Å; I44-S48 PolarHBondContact O-OG 3.26Å; I44-L140 HydrophobicContact CG2-CD2 3.77Å
45L68.1Low65.2Low8 Ų860.2 Ų60.24%0.04228%0.281CS..Hα-helixtrans-60.6-43172.5-69.6170.5000110.4G41 R42 S48 S49 L147 A166 Y169 F170G41-L45 WeakPolarHBondContact O-CG 3.34Å; G41-L45 PolarHBondContact O-N 2.84Å; G41-L45 VanDerWaalsContact O-N 3.11Å; R42-L45 PolarHBondContact O-N 3Å; L45-S48 PolarHBondContact O-N 3.12Å; L45-S48 PolarHBondContact O-OG 3.16Å; L45-S49 PolarHBondContact O-N 2.96Å; L45-L147 HydrophobicContact CD2-CD1 4.22Å; L45-A166 HydrophobicContact CD1-CB 3.98Å; L45-A166 HydrophobicContact CD2-CB 4.29Å; L45-Y169 HydrophobicContact CB-CD1 4.43Å; L45-Y169 HydrophobicContact CD2-CD1 4.49Å; L45-F170 HydrophobicContact CD2-CE1 3.82Å; L45-F170 HydrophobicContact CD2-CZ 3.75Å
46E69.8Low64.1Low99 Ų9957.9 Ų57.946%0.46328%0.28SS..Hα-helixtrans-64.5-45.8174.7-69.7-177.5-167.900112.4R42 E43 I44 S48 S49 R50R42-E46 PolarHBondContact O-N 3.42Å; E43-E46 PolarHBondContact O-N 2.92Å; I44-E46 VanDerWaalsContact C-N 3.29Å; I44-E46 PolarHBondContact O-N 3.49Å; E46-S48 PolarHBondContact O-N 2.56Å; E46-S49 WeakPolarHBondContact O-CB 3.36Å; E46-S49 PolarHBondContact O-N 3.34Å; E46-S49 PolarHBondContact O-OG 3.17Å; E46-R50 PolarHBondContact O-N 3.29Å; E46-R50 IonicContact OE2-NH2 2.78Å
47L67.5Low63.1Low49 Ų4959.6 Ų59.626%0.25729%0.285SS..Hα-helixtrans-59.6-45.5176.6-76.8165000111E43 I44 S49 R50 Y51E43-L47 WeakPolarHBondContact O-CB 3.35Å; E43-L47 WeakPolarHBondContact O-CG 3.42Å; E43-L47 PolarHBondContact O-N 3.36Å; I44-L47 PolarHBondContact O-N 3.15Å; L47-S49 PolarHBondContact O-N 3.46Å; L47-R50 PolarHBondContact O-N 3.09Å; L47-Y51 HydrophobicContact CB-CD2 4.36Å; L47-Y51 HydrophobicContact CB-CE2 4.44Å; L47-Y51 HydrophobicContact CD2-CE2 4.19Å; L47-Y51 VanDerWaalsContact O-CD2 3.3Å; L47-Y51 WeakPolarHBondContact O-CD2 3.42Å; L47-Y51 PolarHBondContact O-N 3.23Å
48S68Low62.4Low0 Ų066 Ų660%033%0.33CS..Hα-helixtrans-55.9-40.9177.476.40000111I44 L45 E46 R50 F52 F175I44-S48 WeakPolarHBondContact O-CB 3.46Å; I44-S48 PolarHBondContact O-N 3.47Å; I44-S48 PolarHBondContact O-OG 3.26Å; L45-S48 PolarHBondContact O-N 3.12Å; L45-S48 PolarHBondContact O-OG 3.16Å; E46-S48 PolarHBondContact O-N 2.56Å; S48-R50 VanDerWaalsContact C-N 3.29Å; S48-R50 PolarHBondContact O-N 3.38Å; S48-F52 WeakPolarHBondContact O-CB 3.46Å; S48-F52 WeakPolarHBondContact O-CD2 3.39Å; S48-F52 WeakPolarHBondContact O-CG 3.36Å; S48-F52 PolarHBondContact O-N 3.01Å; S48-F52 VanDerWaalsContact O-N 3.09Å; S48-F175 VanDerWaalsContact OG-CE2 3.3Å; S48-F175 WeakPolarHBondContact OG-CE2 3.34Å
49S65.6Low61.5Low16 Ų1668.4 Ų68.411%0.11235%0.352CS..Hα-helixtrans-68.5-26.2178.6870000114.2L45 E46 L47 A53 Y169L45-S49 PolarHBondContact O-N 2.96Å; E46-S49 WeakPolarHBondContact O-CB 3.36Å; E46-S49 PolarHBondContact O-N 3.34Å; E46-S49 PolarHBondContact O-OG 3.17Å; L47-S49 PolarHBondContact O-N 3.46Å; S49-A53 WeakPolarHBondContact O-CB 3.36Å; S49-A53 PolarHBondContact O-N 3.46Å; S49-Y169 WeakPolarHBondContact CB-OH 3.4Å; S49-Y169 PolarHBondContact OG-OH 3.32Å
50R67.5Low60.9Low140 Ų14062.8 Ų62.853%0.52834%0.344SS..Hα-helixtrans-81.3-49175.5-65.3-177.8-162.8176.97.9111E46 L47 S48 F52 A53E46-R50 PolarHBondContact O-N 3.29Å; E46-R50 IonicContact OE2-NH2 2.78Å; L47-R50 PolarHBondContact O-N 3.09Å; S48-R50 VanDerWaalsContact C-N 3.29Å; S48-R50 PolarHBondContact O-N 3.38Å; R50-F52 PolarHBondContact O-N 3.43Å; R50-A53 WeakPolarHBondContact O-CB 3.44Å; R50-A53 PolarHBondContact O-N 2.73Å; R50-A53 VanDerWaalsContact O-N 3.1Å
51Y67.2Low60.6Low28 Ų2866.8 Ų66.811%0.1137%0.37CS..Hα-helixtrans-59.2-34.1177.8-85.7-76.4000113.5L47 L88 D92 C96 L140L47-Y51 HydrophobicContact CB-CD2 4.36Å; L47-Y51 HydrophobicContact CB-CE2 4.44Å; L47-Y51 HydrophobicContact CD2-CE2 4.19Å; L47-Y51 VanDerWaalsContact O-CD2 3.3Å; L47-Y51 WeakPolarHBondContact O-CD2 3.42Å; L47-Y51 PolarHBondContact O-N 3.23Å; Y51-L88 HydrophobicContact CD1-CD2 4.21Å; Y51-L88 HydrophobicContact CE1-CD2 4.38Å; Y51-D92 HydrophobicContact CE1-CB 4.43Å; Y51-C96 PolarHBondContact OH-SG 2.95Å; Y51-L140 HydrophobicContact CD2-CD1 3.8Å; Y51-L140 HydrophobicContact CE2-CD1 4.39Å; Y51-L140 HydrophobicContact CG-CD1 4.16Å
52F68.2Low60.5Low0 Ų067.7 Ų67.70%037%0.374CS..THydrogen-bonded Turntrans-98.71179.7-53.5-52.1000113.4S48 R50 T54 Q137 L140 V141 F175 L179 Y182S48-F52 WeakPolarHBondContact O-CB 3.46Å; S48-F52 WeakPolarHBondContact O-CD2 3.39Å; S48-F52 WeakPolarHBondContact O-CG 3.36Å; S48-F52 PolarHBondContact O-N 3.01Å; S48-F52 VanDerWaalsContact O-N 3.09Å; R50-F52 PolarHBondContact O-N 3.43Å; F52-T54 PolarHBondContact O-N 3.34Å; F52-T54 VanDerWaalsContact O-N 3.16Å; F52-Q137 HydrophobicContact CE1-CB 4.25Å; F52-Q137 HydrophobicContact CE1-CG 4.27Å; F52-L140 HydrophobicContact CE2-CB 4.31Å; F52-L140 HydrophobicContact CZ-CB 4.2Å; F52-V141 HydrophobicContact CE1-CG2 4.24Å; F52-V141 HydrophobicContact CE2-CG2 3.96Å; F52-V141 HydrophobicContact CZ-CG2 3.51Å; F52-F175 HydrophobicContact CD2-CE2 4.11Å; F52-F175 HydrophobicContact CD2-CZ 4.18Å; F52-L179 HydrophobicContact CB-CD2 3.99Å; F52-L179 HydrophobicContact CD1-CD2 4.08Å; F52-L179 HydrophobicContact CD2-CD2 3.53Å; F52-L179 HydrophobicContact CE2-CD2 4.04Å; F52-L179 HydrophobicContact CG-CD2 3.59Å; F52-L179 HydrophobicContact CZ-CD2 4.5Å; F52-Y182 HydrophobicContact CB-CG 4.49Å; F52-Y182 AromaticContact CD1-CD1 3.65Å; F52-Y182 HydrophobicContact CD1-CD1 3.65Å; F52-Y182 AromaticContact CD1-CE1 3.7Å; F52-Y182 HydrophobicContact CD1-CE1 3.7Å; F52-Y182 HydrophobicContact CD1-CG 4.11Å; F52-Y182 HydrophobicContact CE1-CD1 4.24Å; F52-Y182 AromaticContact CE1-CE1 3.96Å; F52-Y182 HydrophobicContact CE1-CE1 3.96Å
53A59.7Low60.3Low50 Ų5068 Ų6841%0.41338%0.381SS..SBendtrans-73.3105165.900000107.8S49 R50 R55S49-A53 WeakPolarHBondContact O-CB 3.36Å; S49-A53 PolarHBondContact O-N 3.46Å; R50-A53 WeakPolarHBondContact O-CB 3.44Å; R50-A53 PolarHBondContact O-N 2.73Å; R50-A53 VanDerWaalsContact O-N 3.1Å; A53-R55 PolarHBondContact O-N 3.14Å
54T55.3Low60.1Low56 Ų5664.5 Ų64.534%0.34437%0.367SS..  trans-51.7126.9172.849.10000109.5F52 P56F52-T54 PolarHBondContact O-N 3.34Å; F52-T54 VanDerWaalsContact O-N 3.16Å; T54-P56 WeakPolarHBondContact O-CD 3.5Å; T54-P56 VanDerWaalsContact O-N 3.09Å
55R53.3Low60.2Low92 Ų9265.5 Ų65.535%0.34737%0.374SS..  trans-61.2108.2157.6-111-174.5-175.4-158.13.6106.9A53 D57 D89A53-R55 PolarHBondContact O-N 3.14Å; R55-D57 PolarHBondContact O-N 3.49Å; R55-D89 IonicContact CZ-OD1 3.49Å; R55-D89 IonicContact NE-OD1 3.54Å; R55-D89 PolarHBondContact NE-OD1 2.92Å; R55-D89 IonicContact NH2-OD1 2.74Å; R55-D89 PolarHBondContact NH2-OD1 3.06Å
56P41.6Very low59.8Low105 Ų10571.3 Ų71.368%0.68241%0.413SS*.SBendtrans-71127.8167.712.75.1000105.5T54T54-P56 WeakPolarHBondContact O-CD 3.5Å; T54-P56 VanDerWaalsContact O-N 3.09Å
57D42.9Very low59.5Low118 Ų11873.5 Ų73.563%0.63143%0.428SS*.  trans86.3102.5174.5-50-32.2000117.3R55 S59R55-D57 PolarHBondContact O-N 3.49Å; D57-S59 PolarHBondContact O-N 3.43Å
58S50.8Low59.2Low137 Ų13773.7 Ų73.796%0.95843%0.426SS*.THydrogen-bonded Turntrans-58.8-0.3166.760.90000115.5
59S48.4Very low58.7Low98 Ų9883.4 Ų83.469%0.68547%0.469SS*.THydrogen-bonded Turntrans-97.6-18.8-170.263.90000114.4D57D57-S59 PolarHBondContact O-N 3.43Å
60A53.5Low58.4Low61 Ų6184.6 Ų84.650%0.50448%0.475SS..SBendtrans-83.4120.5178.400000110.4V62A60-V62 PolarHBondContact O-N 3.08Å
61P58.6Low57.8Low92 Ų9282.5 Ų82.560%0.59749%0.488SS*.  trans-60.5135.7175.124.4-31.7000109.7Q63P61-Q63 HydrophobicContact CG-CG 4.49Å; P61-Q63 PolarHBondContact O-N 3.28Å
62V62.5Low57.9Low23 Ų2382.7 Ų82.714%0.13949%0.491CS..  trans-59.3110.8168.5-179.50000106.9A60 A83 F90A60-V62 PolarHBondContact O-N 3.08Å; V62-A83 HydrophobicContact CG1-CB 3.93Å; V62-A83 HydrophobicContact CG2-CB 4.35Å; V62-F90 HydrophobicContact CG1-CB 3.82Å; V62-F90 HydrophobicContact CG1-CD2 4.49Å
63Q63.1Low58.1Low152 Ų15286.8 Ų86.871%0.7152%0.518SS*.PPolyproline II helixtrans-102.7124.3177.3-71.6-179.24.700109.3P61P61-Q63 HydrophobicContact CG-CG 4.49Å; P61-Q63 PolarHBondContact O-N 3.28Å
64C64.1Low58.9Low18 Ų1886.7 Ų86.712%0.12251%0.512CS..PPolyproline II helixtrans-56.7135.5166.3173.50000110F68 K76 E80 F90C64-F68 VanDerWaalsContact SG-CB 3.5Å; C64-K76 VanDerWaalsContact CB-CE 3.5Å; C64-K76 VanDerWaalsContact SG-CE 3.51Å; C64-E80 WeakPolarHBondContact CB-OE1 3.01Å; C64-F90 HydrophobicContact CB-CD1 4.44Å; C64-F90 HydrophobicContact CB-CD2 4.36Å; C64-F90 HydrophobicContact CB-CE1 4.26Å; C64-F90 HydrophobicContact CB-CE2 4.19Å; C64-F90 HydrophobicContact CB-CG 4.49Å; C64-F90 HydrophobicContact CB-CZ 4.13Å
65P69.2Low60Low33 Ų3385.5 Ų85.521%0.21450%0.503CS..PPolyproline II helixtrans-53.7139.9174.7-21.930.1000110.7D67 F68 F90 E91P65-D67 PolarHBondContact O-N 3.06Å; P65-D67 VanDerWaalsContact O-N 3.12Å; P65-F68 HydrophobicContact CB-CB 4.37Å; P65-F68 WeakPolarHBondContact O-CB 3.29Å; P65-F68 PolarHBondContact O-N 3.5Å; P65-F68 VanDerWaalsContact O-N 3.12Å; P65-F90 VanDerWaalsContact CD-CD1 3.42Å; P65-F90 HydrophobicContact CG-CD1 4.37Å; P65-E91 HydrophobicContact CG-CG 4Å; P65-E91 WeakPolarHBondContact CG-OE1 3.49Å
66P59.7Low61.3Low131 Ų13184.5 Ų84.585%0.85150%0.501SS*.THydrogen-bonded Turntrans-62.6-21.2-178.125-33.7000113.1
67D61.8Low63.2Low145 Ų14584 Ų8478%0.77549%0.493SS*.THydrogen-bonded Turntrans-90-3.1-178.6-61.6-32000113.6P65 K69P65-D67 PolarHBondContact O-N 3.06Å; P65-D67 VanDerWaalsContact O-N 3.12Å; D67-K69 PolarHBondContact O-N 3.39Å
68F61.5Low65.2Low52 Ų5278.9 Ų78.923%0.22847%0.465CS..  trans-77.6104.6-175.1-167.6-98.1000111.8C64 P65 T70 F90 Y94C64-F68 VanDerWaalsContact SG-CB 3.5Å; P65-F68 HydrophobicContact CB-CB 4.37Å; P65-F68 WeakPolarHBondContact O-CB 3.29Å; P65-F68 PolarHBondContact O-N 3.5Å; P65-F68 VanDerWaalsContact O-N 3.12Å; F68-T70 HydrophobicContact CD1-CG2 4.11Å; F68-T70 HydrophobicContact CE1-CG2 3.27Å; F68-T70 WeakPolarHBondContact CE1-OG1 3.34Å; F68-T70 HydrophobicContact CZ-CG2 3.51Å; F68-F90 AromaticContact CD1-CE1 3.8Å; F68-F90 HydrophobicContact CD1-CE1 3.8Å; F68-F90 AromaticContact CD1-CZ 3.96Å; F68-F90 HydrophobicContact CD1-CZ 3.96Å; F68-F90 AromaticContact CD2-CE1 3.96Å; F68-F90 HydrophobicContact CD2-CE1 3.96Å; F68-F90 AromaticContact CE1-CE1 3.72Å; F68-F90 HydrophobicContact CE1-CE1 3.72Å; F68-F90 AromaticContact CE1-CZ 3.68Å; F68-F90 HydrophobicContact CE1-CZ 3.68Å; F68-F90 AromaticContact CE2-CE1 3.9Å; F68-F90 HydrophobicContact CE2-CE1 3.9Å; F68-F90 AromaticContact CG-CE1 3.91Å; F68-F90 HydrophobicContact CG-CE1 3.91Å; F68-F90 AromaticContact CZ-CE1 3.77Å; F68-F90 HydrophobicContact CZ-CE1 3.77Å; F68-F90 HydrophobicContact CZ-CZ 4.04Å; F68-Y94 HydrophobicContact CE1-CE2 4.48Å; F68-Y94 AromaticContact CE2-CD1 3.75Å; F68-Y94 HydrophobicContact CE2-CD1 3.75Å; F68-Y94 HydrophobicContact CE2-CD2 4.37Å; F68-Y94 AromaticContact CE2-CE1 3.78Å; F68-Y94 HydrophobicContact CE2-CE1 3.78Å; F68-Y94 HydrophobicContact CE2-CE2 4.41Å; F68-Y94 HydrophobicContact CE2-CG 4.05Å; F68-Y94 AromaticContact CZ-CD1 3.85Å; F68-Y94 HydrophobicContact CZ-CD1 3.85Å; F68-Y94 AromaticContact CZ-CD2 3.63Å; F68-Y94 HydrophobicContact CZ-CD2 3.63Å; F68-Y94 AromaticContact CZ-CE1 3.78Å; F68-Y94 HydrophobicContact CZ-CE1 3.78Å; F68-Y94 AromaticContact CZ-CE2 3.58Å; F68-Y94 HydrophobicContact CZ-CE2 3.58Å; F68-Y94 AromaticContact CZ-CG 3.76Å; F68-Y94 HydrophobicContact CZ-CG 3.76Å; F68-Y94 AromaticContact CZ-CZ 3.64Å
69K58.1Low66.8Low205 Ų20572.5 Ų72.589%0.89142%0.42SS*.  trans-105.989.6178.4-69-178.9-178.2174.50111.4D67D67-K69 PolarHBondContact O-N 3.39Å
70T59.5Low68.5Low40 Ų4070.5 Ų70.525%0.24540%0.4CS..  trans-96.3139.9165.640.30000111.2F68 N72 Y94F68-T70 HydrophobicContact CD1-CG2 4.11Å; F68-T70 HydrophobicContact CE1-CG2 3.27Å; F68-T70 WeakPolarHBondContact CE1-OG1 3.34Å; F68-T70 HydrophobicContact CZ-CG2 3.51Å; T70-N72 PolarHBondContact O-N 3.45Å; T70-Y94 HydrophobicContact CG2-CE2 4.29Å
71A54.5Low69.8Low97 Ų9771.5 Ų71.580%0.80239%0.394SS*.SBendtrans-67.8-14.2179.200000114.1
72N68.6Low71Confident31 Ų3167.1 Ų67.117%0.16637%0.366CS..  trans-120113.6-175.1-175.30.5000111.7T70 V74 L75 H113T70-N72 PolarHBondContact O-N 3.45Å; N72-V74 WeakPolarHBondContact OD1-CB 3.13Å; N72-V74 PolarHBondContact OD1-N 2.95Å; N72-L75 HydrophobicContact CB-CB 4.13Å; N72-H113 PolarHBondContact ND2-CE1 3.43Å; N72-H113 PolarHBondContact ND2-ND1 3.22Å
73P72.5Confident72Confident87 Ų8766 Ų6657%0.56536%0.359SS*.Hα-helixtrans-68.6-32.6178.227.2-33.5000113.1L75 K76 D77P73-L75 VanDerWaalsContact C-N 3.29Å; P73-L75 PolarHBondContact O-N 3.36Å; P73-K76 WeakPolarHBondContact O-CB 3.23Å; P73-K76 PolarHBondContact O-N 2.87Å; P73-K76 VanDerWaalsContact O-N 3.13Å; P73-D77 PolarHBondContact O-N 2.98Å
74V76.7Confident72.8Confident47 Ų4761.9 Ų61.929%0.28535%0.347SS..Hα-helixtrans-64.8-36.9-179.1-1760000111.4N72 K76 F78 L116N72-V74 WeakPolarHBondContact OD1-CB 3.13Å; N72-V74 PolarHBondContact OD1-N 2.95Å; V74-K76 VanDerWaalsContact C-N 3.35Å; V74-F78 PolarHBondContact O-N 3.44Å; V74-F78 VanDerWaalsContact O-N 3.11Å; V74-L116 HydrophobicContact CG1-CB 3.78Å
75L79.4Confident73.5Confident32 Ų3262.2 Ų62.217%0.16835%0.348CS..Hα-helixtrans-64.8-41.1175.3175.264000111.5N72 P73 F78 V79 Y94 F97N72-L75 HydrophobicContact CB-CB 4.13Å; P73-L75 VanDerWaalsContact C-N 3.29Å; P73-L75 PolarHBondContact O-N 3.36Å; L75-F78 PolarHBondContact O-N 3.11Å; L75-V79 HydrophobicContact CD1-CG2 4.21Å; L75-V79 VanDerWaalsContact O-CG2 3.3Å; L75-V79 WeakPolarHBondContact O-CG2 3.31Å; L75-V79 PolarHBondContact O-N 3.14Å; L75-Y94 HydrophobicContact CD2-CE2 4.48Å; L75-F97 HydrophobicContact CD1-CD1 3.9Å; L75-F97 HydrophobicContact CD1-CE1 3.38Å; L75-F97 HydrophobicContact CD1-CZ 4.39Å
76K80.2Confident73.8Confident70 Ų7062.1 Ų62.130%0.30435%0.345SS..Hα-helixtrans-62.2-49178.6-179.9-175.5167.5172.70110.4C64 P73 V74 F78 V79 E80 F90C64-K76 VanDerWaalsContact CB-CE 3.5Å; C64-K76 VanDerWaalsContact SG-CE 3.51Å; P73-K76 WeakPolarHBondContact O-CB 3.23Å; P73-K76 PolarHBondContact O-N 2.87Å; P73-K76 VanDerWaalsContact O-N 3.13Å; V74-K76 VanDerWaalsContact C-N 3.35Å; K76-F78 VanDerWaalsContact C-N 3.31Å; K76-F78 PolarHBondContact O-N 3.44Å; K76-V79 PolarHBondContact O-N 3.22Å; K76-E80 WeakPolarHBondContact CE-OE1 3.47Å; K76-E80 IonicContact NZ-OE1 2.77Å; K76-E80 WeakPolarHBondContact O-CG 2.95Å; K76-E80 PolarHBondContact O-N 2.98Å; K76-F90 HydrophobicContact CG-CZ 4.4Å
77D82.1Confident74.6Confident96 Ų9660.2 Ų60.251%0.51333%0.325SS..Hα-helixtrans-59.4-42.7179.9-63.1-14.3000111.4P73 E80 E81P73-D77 PolarHBondContact O-N 2.98Å; D77-E80 PolarHBondContact O-N 2.78Å; D77-E81 WeakPolarHBondContact O-CB 3.45Å; D77-E81 PolarHBondContact O-N 2.98Å
78F85.1Confident75.2Confident10 Ų1053.9 Ų53.94%0.04429%0.291CS..Hα-helixtrans-62.5-43.6175.8174.8-93.2000112.8V74 L75 K76 E81 A82 F97 L116 S122 L125 C126V74-F78 PolarHBondContact O-N 3.44Å; V74-F78 VanDerWaalsContact O-N 3.11Å; L75-F78 PolarHBondContact O-N 3.11Å; K76-F78 VanDerWaalsContact C-N 3.31Å; K76-F78 PolarHBondContact O-N 3.44Å; F78-E81 PolarHBondContact O-N 3.26Å; F78-A82 HydrophobicContact CE1-CB 4.35Å; F78-A82 VanDerWaalsContact O-CB 3.29Å; F78-A82 WeakPolarHBondContact O-CB 3.37Å; F78-A82 PolarHBondContact O-N 3.18Å; F78-F97 HydrophobicContact CD1-CE1 4.42Å; F78-F97 HydrophobicContact CD1-CE2 4.12Å; F78-F97 HydrophobicContact CD1-CZ 4.01Å; F78-F97 AromaticContact CE1-CD2 3.85Å; F78-F97 HydrophobicContact CE1-CD2 3.85Å; F78-F97 HydrophobicContact CE1-CE1 4.41Å; F78-F97 AromaticContact CE1-CE2 3.34Å; F78-F97 HydrophobicContact CE1-CE2 3.34Å; F78-F97 AromaticContact CE1-CZ 3.66Å; F78-F97 HydrophobicContact CE1-CZ 3.66Å; F78-F97 HydrophobicContact CZ-CE2 4.11Å; F78-L116 HydrophobicContact CB-CD2 3.94Å; F78-L116 HydrophobicContact CD1-CD2 4.07Å; F78-L116 HydrophobicContact CD2-CD2 3.65Å; F78-L116 HydrophobicContact CE2-CD2 4.17Å; F78-L116 HydrophobicContact CG-CD2 3.58Å; F78-S122 WeakPolarHBondContact CE2-O 3.27Å; F78-L125 HydrophobicContact CE1-CD2 4.41Å; F78-L125 HydrophobicContact CE2-CB 4.45Å; F78-L125 HydrophobicContact CE2-CD2 4.21Å; F78-L125 HydrophobicContact CE2-CG 4.45Å; F78-L125 HydrophobicContact CZ-CB 4.38Å; F78-L125 HydrophobicContact CZ-CD2 3.91Å; F78-L125 HydrophobicContact CZ-CG 3.98Å; F78-C126 HydrophobicContact CE2-CB 4.1Å; F78-C126 HydrophobicContact CZ-CB 4.26Å
79V84.1Confident76Confident3 Ų355 Ų552%0.01830%0.299CS..Hα-helixtrans-69.3-37.7-180174.80000111L75 K76 A82 A83 F90 A93 Y94 F97L75-V79 HydrophobicContact CD1-CG2 4.21Å; L75-V79 VanDerWaalsContact O-CG2 3.3Å; L75-V79 WeakPolarHBondContact O-CG2 3.31Å; L75-V79 PolarHBondContact O-N 3.14Å; K76-V79 PolarHBondContact O-N 3.22Å; V79-A82 PolarHBondContact O-N 3.14Å; V79-A83 WeakPolarHBondContact O-CB 3.24Å; V79-A83 PolarHBondContact O-N 3.35Å; V79-F90 HydrophobicContact CB-CE2 4.04Å; V79-F90 HydrophobicContact CG1-CD2 3.97Å; V79-F90 HydrophobicContact CG1-CE2 3.67Å; V79-F90 HydrophobicContact CG1-CZ 4.19Å; V79-A93 HydrophobicContact CG1-CB 4.17Å; V79-Y94 HydrophobicContact CG2-CD2 4.37Å; V79-F97 HydrophobicContact CG2-CD1 4.11Å; V79-F97 HydrophobicContact CG2-CG 4.42Å
80E82.9Confident77Confident56 Ų5645.5 Ų45.526%0.26226%0.258SS..Hα-helixtrans-62-44.3172.3-71.5-17717800111.3C64 K76 D77 S84 F90C64-E80 WeakPolarHBondContact CB-OE1 3.01Å; K76-E80 WeakPolarHBondContact CE-OE1 3.47Å; K76-E80 IonicContact NZ-OE1 2.77Å; K76-E80 WeakPolarHBondContact O-CG 2.95Å; K76-E80 PolarHBondContact O-N 2.98Å; D77-E80 PolarHBondContact O-N 2.78Å; E80-S84 WeakPolarHBondContact O-CB 3.37Å; E80-S84 PolarHBondContact O-N 3.09Å; E80-F90 HydrophobicContact CG-CD2 3.75Å; E80-F90 HydrophobicContact CG-CE2 3.59Å
81E82.6Confident77.8Confident81 Ų8149 Ų4938%0.37927%0.271SS..Hα-helixtrans-61.8-51.1175.2-174.2176.8-176.200111.1D77 F78 A83 S84 L85D77-E81 WeakPolarHBondContact O-CB 3.45Å; D77-E81 PolarHBondContact O-N 2.98Å; F78-E81 PolarHBondContact O-N 3.26Å; E81-A83 PolarHBondContact O-N 3.27Å; E81-S84 PolarHBondContact O-N 3.01Å; E81-S84 PolarHBondContact O-OG 3.31Å; E81-L85 HydrophobicContact CG-CD1 4.05Å; E81-L85 WeakPolarHBondContact O-CG 3.25Å; E81-L85 PolarHBondContact O-N 3.43Å
82A82.8Confident78.8Confident0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-62-41.6179.200000112.5F78 V79 S84 L85 L86 F129F78-A82 HydrophobicContact CE1-CB 4.35Å; F78-A82 VanDerWaalsContact O-CB 3.29Å; F78-A82 WeakPolarHBondContact O-CB 3.37Å; F78-A82 PolarHBondContact O-N 3.18Å; V79-A82 PolarHBondContact O-N 3.14Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 3.05Å; A82-L85 PolarHBondContact O-N 2.91Å; A82-L86 VanDerWaalsContact O-CB 3.29Å; A82-L86 WeakPolarHBondContact O-CB 3.45Å; A82-L86 VanDerWaalsContact O-CG 3.31Å; A82-L86 WeakPolarHBondContact O-CG 3.29Å; A82-L86 PolarHBondContact O-N 3.36Å; A82-F129 HydrophobicContact CB-CD1 4.06Å; A82-F129 HydrophobicContact CB-CE1 4.09Å
83A82.6Confident79.3Confident0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-61.9-39.5175.500000111.6V62 V79 E81 Q87 L88 A93V62-A83 HydrophobicContact CG1-CB 3.93Å; V62-A83 HydrophobicContact CG2-CB 4.35Å; V79-A83 WeakPolarHBondContact O-CB 3.24Å; V79-A83 PolarHBondContact O-N 3.35Å; E81-A83 PolarHBondContact O-N 3.27Å; A83-Q87 WeakPolarHBondContact O-CA 3.5Å; A83-Q87 PolarHBondContact O-N 3.43Å; A83-L88 PolarHBondContact O-N 3.04Å; A83-A93 HydrophobicContact CB-CB 3.69Å
84S81.3Confident79.7Confident66 Ų6641.5 Ų41.546%0.46221%0.21SC..Hα-helixtrans-67.2-41.3176.178.40000112.6E80 E81 A82E80-S84 WeakPolarHBondContact O-CB 3.37Å; E80-S84 PolarHBondContact O-N 3.09Å; E81-S84 PolarHBondContact O-N 3.01Å; E81-S84 PolarHBondContact O-OG 3.31Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 3.05Å
85L78.1Confident79.7Confident25 Ų2543.3 Ų43.313%0.13122%0.215CC..Hα-helixtrans-71.7-38.2-179.4-71.1172.9000112.4E81 A82 H192 L195E81-L85 HydrophobicContact CG-CD1 4.05Å; E81-L85 WeakPolarHBondContact O-CG 3.25Å; E81-L85 PolarHBondContact O-N 3.43Å; A82-L85 PolarHBondContact O-N 2.91Å; L85-H192 HydrophobicContact CD2-CB 4.27Å; L85-H192 WeakPolarHBondContact CD2-ND1 3.4Å; L85-L195 HydrophobicContact CB-CD1 3.92Å
86L75.6Confident79.6Confident31 Ų3142 Ų4216%0.16221%0.209CC..Hα-helixtrans-87.6-8179.4-62.8172.8000113.4A82 L88 F129 V133 L195A82-L86 VanDerWaalsContact O-CB 3.29Å; A82-L86 WeakPolarHBondContact O-CB 3.45Å; A82-L86 VanDerWaalsContact O-CG 3.31Å; A82-L86 WeakPolarHBondContact O-CG 3.29Å; A82-L86 PolarHBondContact O-N 3.36Å; L86-L88 HydrophobicContact CB-CD1 4.13Å; L86-L88 HydrophobicContact CB-CG 4.09Å; L86-L88 HydrophobicContact CD1-CD1 4.41Å; L86-F129 HydrophobicContact CD1-CD1 3.61Å; L86-F129 HydrophobicContact CD1-CE1 3.56Å; L86-F129 HydrophobicContact CD1-CZ 4.5Å; L86-V133 HydrophobicContact CD1-CG2 4.1Å; L86-L195 HydrophobicContact CD2-CD1 3.77Å; L86-L195 HydrophobicContact CG-CD1 4.49Å
87Q76Confident79.7Confident91 Ų9138.8 Ų38.843%0.42520%0.195SC..THydrogen-bonded Turntrans58.844.4-178.1-52.3-175.521.100113.1A83 F185 N189A83-Q87 WeakPolarHBondContact O-CA 3.5Å; A83-Q87 PolarHBondContact O-N 3.43Å; Q87-F185 HydrophobicContact CB-CZ 4.37Å; Q87-N189 PolarHBondContact OE1-ND2 3.39Å
88L76.1Confident79.5Confident12 Ų1235.4 Ų35.46%0.06318%0.179CC..  trans-106.9162.7176.5-63175.1000111.2Y51 A83 L86 A93 V133Y51-L88 HydrophobicContact CD1-CD2 4.21Å; Y51-L88 HydrophobicContact CE1-CD2 4.38Å; A83-L88 PolarHBondContact O-N 3.04Å; L86-L88 HydrophobicContact CB-CD1 4.13Å; L86-L88 HydrophobicContact CB-CG 4.09Å; L86-L88 HydrophobicContact CD1-CD1 4.41Å; L88-A93 HydrophobicContact CB-CB 4.28Å; L88-A93 HydrophobicContact CD1-CB 4.36Å; L88-V133 HydrophobicContact CD1-CG1 3.88Å; L88-V133 HydrophobicContact CD1-CG2 4.24Å
89D77.1Confident79Confident74 Ų7435.6 Ų35.640%0.39618%0.181SC..  trans-70.8151.9164.4-76.8-32000111.3R55 E91 D92 A93R55-D89 IonicContact CZ-OD1 3.49Å; R55-D89 IonicContact NE-OD1 3.54Å; R55-D89 PolarHBondContact NE-OD1 2.92Å; R55-D89 IonicContact NH2-OD1 2.74Å; R55-D89 PolarHBondContact NH2-OD1 3.06Å; D89-E91 VanDerWaalsContact C-N 3.33Å; D89-E91 PolarHBondContact O-N 2.91Å; D89-D92 PolarHBondContact O-N 3.01Å; D89-A93 WeakPolarHBondContact O-CB 3.37Å; D89-A93 PolarHBondContact O-N 2.94Å
90F79.3Confident78.8Confident6 Ų635.6 Ų35.63%0.02618%0.181CC..Hα-helixtrans-60.9-41.5-175.9179.2-91.4000112.2V62 C64 P65 F68 K76 V79 E80 Y94V62-F90 HydrophobicContact CG1-CB 3.82Å; V62-F90 HydrophobicContact CG1-CD2 4.49Å; C64-F90 HydrophobicContact CB-CD1 4.44Å; C64-F90 HydrophobicContact CB-CD2 4.36Å; C64-F90 HydrophobicContact CB-CE1 4.26Å; C64-F90 HydrophobicContact CB-CE2 4.19Å; C64-F90 HydrophobicContact CB-CG 4.49Å; C64-F90 HydrophobicContact CB-CZ 4.13Å; P65-F90 VanDerWaalsContact CD-CD1 3.42Å; P65-F90 HydrophobicContact CG-CD1 4.37Å; F68-F90 AromaticContact CD1-CE1 3.8Å; F68-F90 HydrophobicContact CD1-CE1 3.8Å; F68-F90 AromaticContact CD1-CZ 3.96Å; F68-F90 HydrophobicContact CD1-CZ 3.96Å; F68-F90 AromaticContact CD2-CE1 3.96Å; F68-F90 HydrophobicContact CD2-CE1 3.96Å; F68-F90 AromaticContact CE1-CE1 3.72Å; F68-F90 HydrophobicContact CE1-CE1 3.72Å; F68-F90 AromaticContact CE1-CZ 3.68Å; F68-F90 HydrophobicContact CE1-CZ 3.68Å; F68-F90 AromaticContact CE2-CE1 3.9Å; F68-F90 HydrophobicContact CE2-CE1 3.9Å; F68-F90 AromaticContact CG-CE1 3.91Å; F68-F90 HydrophobicContact CG-CE1 3.91Å; F68-F90 AromaticContact CZ-CE1 3.77Å; F68-F90 HydrophobicContact CZ-CE1 3.77Å; F68-F90 HydrophobicContact CZ-CZ 4.04Å; K76-F90 HydrophobicContact CG-CZ 4.4Å; V79-F90 HydrophobicContact CB-CE2 4.04Å; V79-F90 HydrophobicContact CG1-CD2 3.97Å; V79-F90 HydrophobicContact CG1-CE2 3.67Å; V79-F90 HydrophobicContact CG1-CZ 4.19Å; E80-F90 HydrophobicContact CG-CD2 3.75Å; E80-F90 HydrophobicContact CG-CE2 3.59Å; F90-Y94 VanDerWaalsContact O-CB 3.28Å; F90-Y94 WeakPolarHBondContact O-CB 3.4Å; F90-Y94 PolarHBondContact O-N 3.08Å
91E76.2Confident78.4Confident113 Ų11334 Ų3453%0.52817%0.174SC..Hα-helixtrans-65.1-44.8-179.9-67.1-176.9177.700111.7P65 D89 Y94 Q95P65-E91 HydrophobicContact CG-CG 4Å; P65-E91 WeakPolarHBondContact CG-OE1 3.49Å; D89-E91 VanDerWaalsContact C-N 3.33Å; D89-E91 PolarHBondContact O-N 2.91Å; E91-Y94 PolarHBondContact O-N 3.02Å; E91-Q95 WeakPolarHBondContact O-CB 3.35Å; E91-Q95 WeakPolarHBondContact O-CG 3.23Å; E91-Q95 PolarHBondContact O-N 3.01Å
92D76Confident77.7Confident14 Ų1430.8 Ų30.88%0.07516%0.16CC..Hα-helixtrans-65.9-43.6177.8-66-25.2000111.2Y51 D89 Y94 Q95 C96Y51-D92 HydrophobicContact CE1-CB 4.43Å; D89-D92 PolarHBondContact O-N 3.01Å; D92-Y94 VanDerWaalsContact C-N 3.33Å; D92-Y94 PolarHBondContact O-N 3.42Å; D92-Q95 PolarHBondContact O-N 2.91Å; D92-C96 VanDerWaalsContact O-CB 3.28Å; D92-C96 WeakPolarHBondContact O-CB 3.44Å; D92-C96 PolarHBondContact O-N 3.47Å
93A79.8Confident77.1Confident0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-61.2-42175.200000111.4V79 A83 L88 D89 F97 F129V79-A93 HydrophobicContact CG1-CB 4.17Å; A83-A93 HydrophobicContact CB-CB 3.69Å; L88-A93 HydrophobicContact CB-CB 4.28Å; L88-A93 HydrophobicContact CD1-CB 4.36Å; D89-A93 WeakPolarHBondContact O-CB 3.37Å; D89-A93 PolarHBondContact O-N 2.94Å; A93-F97 WeakPolarHBondContact O-CB 3.29Å; A93-F97 PolarHBondContact O-N 3.32Å; A93-F129 WeakPolarHBondContact O-CZ 3.17Å
94Y80.8Confident76.4Confident45 Ų4535.4 Ų35.418%0.17618%0.18CC..Hα-helixtrans-65.9-45.9177.3179.8-106.8000112.2F68 T70 L75 V79 F90 E91 D92 F97 C98F68-Y94 HydrophobicContact CE1-CE2 4.48Å; F68-Y94 AromaticContact CE2-CD1 3.75Å; F68-Y94 HydrophobicContact CE2-CD1 3.75Å; F68-Y94 HydrophobicContact CE2-CD2 4.37Å; F68-Y94 AromaticContact CE2-CE1 3.78Å; F68-Y94 HydrophobicContact CE2-CE1 3.78Å; F68-Y94 HydrophobicContact CE2-CE2 4.41Å; F68-Y94 HydrophobicContact CE2-CG 4.05Å; F68-Y94 AromaticContact CZ-CD1 3.85Å; F68-Y94 HydrophobicContact CZ-CD1 3.85Å; F68-Y94 AromaticContact CZ-CD2 3.63Å; F68-Y94 HydrophobicContact CZ-CD2 3.63Å; F68-Y94 AromaticContact CZ-CE1 3.78Å; F68-Y94 HydrophobicContact CZ-CE1 3.78Å; F68-Y94 AromaticContact CZ-CE2 3.58Å; F68-Y94 HydrophobicContact CZ-CE2 3.58Å; F68-Y94 AromaticContact CZ-CG 3.76Å; F68-Y94 HydrophobicContact CZ-CG 3.76Å; F68-Y94 AromaticContact CZ-CZ 3.64Å; T70-Y94 HydrophobicContact CG2-CE2 4.29Å; L75-Y94 HydrophobicContact CD2-CE2 4.48Å; V79-Y94 HydrophobicContact CG2-CD2 4.37Å; F90-Y94 VanDerWaalsContact O-CB 3.28Å; F90-Y94 WeakPolarHBondContact O-CB 3.4Å; F90-Y94 PolarHBondContact O-N 3.08Å; E91-Y94 PolarHBondContact O-N 3.02Å; D92-Y94 VanDerWaalsContact C-N 3.33Å; D92-Y94 PolarHBondContact O-N 3.42Å; Y94-F97 PolarHBondContact O-N 3.05Å; Y94-C98 PolarHBondContact O-N 3.42Å; Y94-C98 PolarHBondContact O-SG 3.46Å
95Q76.2Confident75.9Confident84 Ų8432.8 Ų32.839%0.39316%0.16SC..Hα-helixtrans-62.8-47.5177.1-73.7-178.21.100111.5E91 D92 F97 C98 C99E91-Q95 WeakPolarHBondContact O-CB 3.35Å; E91-Q95 WeakPolarHBondContact O-CG 3.23Å; E91-Q95 PolarHBondContact O-N 3.01Å; D92-Q95 PolarHBondContact O-N 2.91Å; Q95-F97 VanDerWaalsContact C-N 3.28Å; Q95-F97 PolarHBondContact O-N 2.91Å; Q95-C98 WeakPolarHBondContact O-CB 3.26Å; Q95-C98 PolarHBondContact O-N 3.24Å; Q95-C99 PolarHBondContact O-N 3.16Å; Q95-C99 PolarHBondContact O-SG 2.86Å; Q95-C99 VanDerWaalsContact O-SG 3.39Å
96C77.8Confident75.4Confident6 Ų634.3 Ų34.34%0.04117%0.173CC..Hα-helixtrans-56-44.2172.6-94.20000111.5Y51 D92 C98 C99 F100 F129 Y132 V133Y51-C96 PolarHBondContact OH-SG 2.95Å; D92-C96 VanDerWaalsContact O-CB 3.28Å; D92-C96 WeakPolarHBondContact O-CB 3.44Å; D92-C96 PolarHBondContact O-N 3.47Å; C96-C98 VanDerWaalsContact C-N 3.33Å; C96-C98 PolarHBondContact O-N 2.95Å; C96-C99 PolarHBondContact O-N 2.96Å; C96-F100 WeakPolarHBondContact O-CB 3.37Å; C96-F100 PolarHBondContact O-N 3.4Å; C96-F129 HydrophobicContact CB-CE2 3.83Å; C96-F129 HydrophobicContact CB-CZ 3.82Å; C96-Y132 HydrophobicContact CB-CE1 4.34Å; C96-Y132 WeakPolarHBondContact O-CE1 3.24Å; C96-V133 HydrophobicContact CB-CG2 4.22Å
97F82Confident75Confident2 Ų235.7 Ų35.71%0.00918%0.184CC..Hα-helixtrans-65.9-37.5-179.8-171.1-109.4000111.7L75 F78 V79 A93 Y94 Q95 F100 L101 L125 F129L75-F97 HydrophobicContact CD1-CD1 3.9Å; L75-F97 HydrophobicContact CD1-CE1 3.38Å; L75-F97 HydrophobicContact CD1-CZ 4.39Å; F78-F97 HydrophobicContact CD1-CE1 4.42Å; F78-F97 HydrophobicContact CD1-CE2 4.12Å; F78-F97 HydrophobicContact CD1-CZ 4.01Å; F78-F97 AromaticContact CE1-CD2 3.85Å; F78-F97 HydrophobicContact CE1-CD2 3.85Å; F78-F97 HydrophobicContact CE1-CE1 4.41Å; F78-F97 AromaticContact CE1-CE2 3.34Å; F78-F97 HydrophobicContact CE1-CE2 3.34Å; F78-F97 AromaticContact CE1-CZ 3.66Å; F78-F97 HydrophobicContact CE1-CZ 3.66Å; F78-F97 HydrophobicContact CZ-CE2 4.11Å; V79-F97 HydrophobicContact CG2-CD1 4.11Å; V79-F97 HydrophobicContact CG2-CG 4.42Å; A93-F97 WeakPolarHBondContact O-CB 3.29Å; A93-F97 PolarHBondContact O-N 3.32Å; Y94-F97 PolarHBondContact O-N 3.05Å; Q95-F97 VanDerWaalsContact C-N 3.28Å; Q95-F97 PolarHBondContact O-N 2.91Å; F97-F100 AromaticContact CD2-CD1 3.92Å; F97-F100 HydrophobicContact CD2-CD1 3.92Å; F97-F100 AromaticContact CE2-CD1 3.83Å; F97-F100 HydrophobicContact CE2-CD1 3.83Å; F97-F100 HydrophobicContact CE2-CE1 4.16Å; F97-F100 WeakPolarHBondContact O-CB 3.03Å; F97-F100 PolarHBondContact O-N 3.18Å; F97-L101 HydrophobicContact CD1-CD1 3.87Å; F97-L101 HydrophobicContact CD1-CG 4.19Å; F97-L101 HydrophobicContact CE1-CD1 3.41Å; F97-L101 VanDerWaalsContact CE1-CD1 3.41Å; F97-L101 HydrophobicContact CE1-CD2 4.22Å; F97-L101 HydrophobicContact CE1-CG 3.82Å; F97-L101 HydrophobicContact CE2-CD2 4.35Å; F97-L101 HydrophobicContact CE2-CG 4.38Å; F97-L101 HydrophobicContact CZ-CD1 3.96Å; F97-L101 HydrophobicContact CZ-CD2 3.88Å; F97-L101 HydrophobicContact CZ-CG 3.93Å; F97-L101 WeakPolarHBondContact O-CB 3.33Å; F97-L101 VanDerWaalsContact O-CG 3.32Å; F97-L101 WeakPolarHBondContact O-CG 3.47Å; F97-L101 PolarHBondContact O-N 3.34Å; F97-L125 HydrophobicContact CE2-CD2 4.39Å; F97-L125 HydrophobicContact CZ-CD2 4.32Å; F97-F129 VanDerWaalsContact CA-CE2 3.48Å; F97-F129 HydrophobicContact CB-CE2 3.88Å; F97-F129 HydrophobicContact CB-CZ 3.86Å; F97-F129 HydrophobicContact CD2-CD1 4.38Å; F97-F129 AromaticContact CD2-CD2 3.87Å; F97-F129 HydrophobicContact CD2-CD2 3.87Å; F97-F129 HydrophobicContact CD2-CE1 4.49Å; F97-F129 HydrophobicContact CD2-CE2 4.01Å; F97-F129 HydrophobicContact CD2-CG 4.07Å; F97-F129 HydrophobicContact CD2-CZ 4.32Å; F97-F129 HydrophobicContact CG-CE2 4.48Å
98C77.6Confident74.5Confident24 Ų2432 Ų3216%0.16217%0.167CC..Hα-helixtrans-61.4-45.5172.3-67.60000111.5Y94 Q95 C96 L101 L102Y94-C98 PolarHBondContact O-N 3.42Å; Y94-C98 PolarHBondContact O-SG 3.46Å; Q95-C98 WeakPolarHBondContact O-CB 3.26Å; Q95-C98 PolarHBondContact O-N 3.24Å; C96-C98 VanDerWaalsContact C-N 3.33Å; C96-C98 PolarHBondContact O-N 2.95Å; C98-L101 PolarHBondContact O-N 2.9Å; C98-L102 WeakPolarHBondContact O-CB 3.35Å; C98-L102 VanDerWaalsContact O-CG 3.29Å; C98-L102 WeakPolarHBondContact O-CG 3.29Å; C98-L102 PolarHBondContact O-N 3.41Å
99C74.8Confident74Confident15 Ų1534.7 Ų34.710%0.10118%0.177CC..Hα-helixtrans-62.7-43.5175-65.10000111.8Q95 C96 L101 L102 Y103 Y132Q95-C99 PolarHBondContact O-N 3.16Å; Q95-C99 PolarHBondContact O-SG 2.86Å; Q95-C99 VanDerWaalsContact O-SG 3.39Å; C96-C99 PolarHBondContact O-N 2.96Å; C99-L101 PolarHBondContact O-N 3.13Å; C99-L102 WeakPolarHBondContact O-CB 3.34Å; C99-L102 PolarHBondContact O-N 3.01Å; C99-L102 VanDerWaalsContact O-N 3.16Å; C99-Y103 HydrophobicContact CB-CD2 4.15Å; C99-Y103 HydrophobicContact CB-CE2 4.38Å; C99-Y103 VanDerWaalsContact O-CB 3.31Å; C99-Y103 WeakPolarHBondContact O-CB 3.38Å; C99-Y103 WeakPolarHBondContact O-CD2 3.31Å; C99-Y103 PolarHBondContact O-N 3.26Å; C99-Y132 HydrophobicContact CB-CE1 4.37Å; C99-Y132 WeakPolarHBondContact CB-OH 3.5Å
100F78.5Confident73.4Confident2 Ų237.6 Ų37.61%0.00918%0.182CC..Hα-helixtrans-58.1-46.6175.9169-105.7000112C96 F97 L102 Y103 E104 F105 L125 V128 F129 Y132C96-F100 WeakPolarHBondContact O-CB 3.37Å; C96-F100 PolarHBondContact O-N 3.4Å; F97-F100 AromaticContact CD2-CD1 3.92Å; F97-F100 HydrophobicContact CD2-CD1 3.92Å; F97-F100 AromaticContact CE2-CD1 3.83Å; F97-F100 HydrophobicContact CE2-CD1 3.83Å; F97-F100 HydrophobicContact CE2-CE1 4.16Å; F97-F100 WeakPolarHBondContact O-CB 3.03Å; F97-F100 PolarHBondContact O-N 3.18Å; F100-L102 VanDerWaalsContact C-N 3.29Å; F100-L102 PolarHBondContact O-N 2.98Å; F100-Y103 PolarHBondContact O-N 2.85Å; F100-E104 HydrophobicContact CD2-CB 3.81Å; F100-E104 HydrophobicContact CE2-CB 3.91Å; F100-E104 PolarHBondContact O-N 3.15Å; F100-F105 HydrophobicContact CE1-CB 4.42Å; F100-F105 AromaticContact CE1-CD2 3.95Å; F100-F105 HydrophobicContact CE1-CD2 3.95Å; F100-F105 HydrophobicContact CZ-CD2 4.21Å; F100-F105 PolarHBondContact O-N 2.86Å; F100-L125 HydrophobicContact CE1-CD1 3.65Å; F100-L125 HydrophobicContact CE1-CG 4.49Å; F100-L125 HydrophobicContact CZ-CD1 3.94Å; F100-V128 HydrophobicContact CE2-CG1 3.72Å; F100-V128 HydrophobicContact CZ-CB 4.43Å; F100-V128 HydrophobicContact CZ-CG1 3.8Å; F100-F129 HydrophobicContact CB-CD2 3.92Å; F100-F129 HydrophobicContact CB-CE2 4.19Å; F100-F129 HydrophobicContact CD1-CD2 4.09Å; F100-F129 AromaticContact CG-CD2 3.91Å; F100-F129 HydrophobicContact CG-CD2 3.91Å; F100-Y132 HydrophobicContact CB-CD1 3.78Å; F100-Y132 HydrophobicContact CB-CE1 3.99Å; F100-Y132 HydrophobicContact CB-CG 4.1Å; F100-Y132 HydrophobicContact CD2-CD1 4.4Å; F100-Y132 HydrophobicContact CD2-CD2 4.32Å; F100-Y132 AromaticContact CD2-CG 3.91Å; F100-Y132 HydrophobicContact CD2-CG 3.91Å; F100-Y132 HydrophobicContact CG-CD1 4.48Å; F100-Y132 HydrophobicContact CG-CG 4.44Å
101L75.6Confident73Confident24 Ų2440.6 Ų40.613%0.12620%0.199CC..Hα-helixtrans-65.4-31.3176.5-71.8-176.5000113.7F97 C98 C99 F105 R109 I112F97-L101 HydrophobicContact CD1-CD1 3.87Å; F97-L101 HydrophobicContact CD1-CG 4.19Å; F97-L101 HydrophobicContact CE1-CD1 3.41Å; F97-L101 VanDerWaalsContact CE1-CD1 3.41Å; F97-L101 HydrophobicContact CE1-CD2 4.22Å; F97-L101 HydrophobicContact CE1-CG 3.82Å; F97-L101 HydrophobicContact CE2-CD2 4.35Å; F97-L101 HydrophobicContact CE2-CG 4.38Å; F97-L101 HydrophobicContact CZ-CD1 3.96Å; F97-L101 HydrophobicContact CZ-CD2 3.88Å; F97-L101 HydrophobicContact CZ-CG 3.93Å; F97-L101 WeakPolarHBondContact O-CB 3.33Å; F97-L101 VanDerWaalsContact O-CG 3.32Å; F97-L101 WeakPolarHBondContact O-CG 3.47Å; F97-L101 PolarHBondContact O-N 3.34Å; C98-L101 PolarHBondContact O-N 2.9Å; C99-L101 PolarHBondContact O-N 3.13Å; L101-F105 HydrophobicContact CD2-CB 4.07Å; L101-F105 HydrophobicContact CD2-CD1 4.27Å; L101-F105 HydrophobicContact CD2-CD2 3.9Å; L101-F105 HydrophobicContact CD2-CE2 4.38Å; L101-F105 HydrophobicContact CD2-CG 3.82Å; L101-R109 PolarHBondContact O-NE 2.88Å; L101-R109 PolarHBondContact O-NH2 3.37Å; L101-I112 HydrophobicContact CD1-CD1 3.79Å; L101-I112 HydrophobicContact CD2-CD1 3.55Å; L101-I112 HydrophobicContact CG-CD1 4.33Å
102L68.2Low72.8Confident13 Ų1336.4 Ų36.47%0.06818%0.18CC..Hα-helixtrans-70.9-39.7175.6-76.8169.7000111.2M1 Y10 C98 C99 F100 R109 L892M1-L102 HydrophobicContact CE-CD1 4.49Å; M1-L102 HydrophobicContact CE-CD2 3.4Å; M1-L102 HydrophobicContact CE-CG 3.8Å; Y10-L102 HydrophobicContact CD1-CD2 4.18Å; Y10-L102 HydrophobicContact CE1-CD2 3.79Å; C98-L102 WeakPolarHBondContact O-CB 3.35Å; C98-L102 VanDerWaalsContact O-CG 3.29Å; C98-L102 WeakPolarHBondContact O-CG 3.29Å; C98-L102 PolarHBondContact O-N 3.41Å; C99-L102 WeakPolarHBondContact O-CB 3.34Å; C99-L102 PolarHBondContact O-N 3.01Å; C99-L102 VanDerWaalsContact O-N 3.16Å; F100-L102 VanDerWaalsContact C-N 3.29Å; F100-L102 PolarHBondContact O-N 2.98Å; L102-R109 PolarHBondContact O-NH2 2.91Å; L102-L892 HydrophobicContact CB-CD1 4.24Å; L102-L892 HydrophobicContact CD2-CD1 4.04Å; L102-L892 VanDerWaalsContact O-CD1 3.31Å; L102-L892 WeakPolarHBondContact O-CD1 3.33Å
103Y68.9Low72.6Confident40 Ų4040.2 Ų40.216%0.15720%0.197CC..Hα-helixtrans-121.5-27.1-157.3-64.3-57.1000117.2Y13 T15 C99 F100 Y849 R851 L892Y13-Y103 PolarHBondContact O-OH 3.12Å; T15-Y103 HydrophobicContact CG2-CD2 3.82Å; T15-Y103 HydrophobicContact CG2-CE2 3.66Å; C99-Y103 HydrophobicContact CB-CD2 4.15Å; C99-Y103 HydrophobicContact CB-CE2 4.38Å; C99-Y103 VanDerWaalsContact O-CB 3.31Å; C99-Y103 WeakPolarHBondContact O-CB 3.38Å; C99-Y103 WeakPolarHBondContact O-CD2 3.31Å; C99-Y103 PolarHBondContact O-N 3.26Å; F100-Y103 PolarHBondContact O-N 2.85Å; Y103-Y849 WeakPolarHBondContact O-CD1 3.4Å; Y103-R851 VanDerWaalsContact CG-CZ 3.42Å; Y103-L892 HydrophobicContact CD1-CD1 4.36Å; Y103-L892 HydrophobicContact CD1-CD2 3.99Å; Y103-L892 HydrophobicContact CE1-CD1 4.42Å; Y103-L892 HydrophobicContact CE1-CD2 4.04Å
104E68.7Low72.5Confident56 Ų5646.6 Ų46.626%0.26223%0.227SC..THydrogen-bonded Turntrans-122.4-16.7-177.4-75.4-162.3172.200113.8F100 S106 Y132F100-E104 HydrophobicContact CD2-CB 3.81Å; F100-E104 HydrophobicContact CE2-CB 3.91Å; F100-E104 PolarHBondContact O-N 3.15Å; E104-S106 PolarHBondContact O-N 3.36Å; E104-Y132 VanDerWaalsContact CD-CD2 3.4Å; E104-Y132 HydrophobicContact CG-CD2 4.07Å; E104-Y132 HydrophobicContact CG-CE2 4.38Å; E104-Y132 VanDerWaalsContact OE2-CD2 3.27Å; E104-Y132 WeakPolarHBondContact OE2-CD2 3.25Å
105F71.5Confident72.3Confident11 Ų1145 Ų455%0.04822%0.222CC..  trans-63.7113.9179.6-172.1-105.3000110.8F100 L101 C107 R109 I112 L125 Y849F100-F105 HydrophobicContact CE1-CB 4.42Å; F100-F105 AromaticContact CE1-CD2 3.95Å; F100-F105 HydrophobicContact CE1-CD2 3.95Å; F100-F105 HydrophobicContact CZ-CD2 4.21Å; F100-F105 PolarHBondContact O-N 2.86Å; L101-F105 HydrophobicContact CD2-CB 4.07Å; L101-F105 HydrophobicContact CD2-CD1 4.27Å; L101-F105 HydrophobicContact CD2-CD2 3.9Å; L101-F105 HydrophobicContact CD2-CE2 4.38Å; L101-F105 HydrophobicContact CD2-CG 3.82Å; F105-C107 HydrophobicContact CD1-CB 4.43Å; F105-C107 VanDerWaalsContact CD1-O 3.32Å; F105-C107 WeakPolarHBondContact CD1-O 3.48Å; F105-C107 HydrophobicContact CE1-CB 3.69Å; F105-C107 VanDerWaalsContact CE1-O 3.24Å; F105-C107 WeakPolarHBondContact CE1-O 3.47Å; F105-C107 HydrophobicContact CE2-CB 4.13Å; F105-C107 HydrophobicContact CZ-CB 3.54Å; F105-R109 HydrophobicContact CD1-CG 4.27Å; F105-R109 HydrophobicContact CE1-CG 4.45Å; F105-I112 HydrophobicContact CZ-CG1 4.36Å; F105-L125 HydrophobicContact CD2-CD1 3.87Å; F105-L125 HydrophobicContact CE2-CD1 3.63Å; F105-Y849 PolarHBondContact O-OH 3.26Å
106S66.6Low72.4Confident57 Ų5741.7 Ų41.740%0.39921%0.206SC..  trans-99.5-3.2-171.960.50000114.4E104 A885E104-S106 PolarHBondContact O-N 3.36Å; S106-A885 WeakPolarHBondContact O-CB 3.39Å
107C67.2Low72.4Confident60 Ų6048.2 Ų48.241%0.40524%0.236SC..SBendtrans-87.7162.7172.2-61.10000110.6F105 R109F105-C107 HydrophobicContact CD1-CB 4.43Å; F105-C107 VanDerWaalsContact CD1-O 3.32Å; F105-C107 WeakPolarHBondContact CD1-O 3.48Å; F105-C107 HydrophobicContact CE1-CB 3.69Å; F105-C107 VanDerWaalsContact CE1-O 3.24Å; F105-C107 WeakPolarHBondContact CE1-O 3.47Å; F105-C107 HydrophobicContact CE2-CB 4.13Å; F105-C107 HydrophobicContact CZ-CB 3.54Å; C107-R109 PolarHBondContact O-N 3.44Å
108D66Low72.4Confident13 Ų1352.7 Ų52.77%0.0726%0.257CS..  trans-62.3129171.3-166.1-31.1000109.3R110 D111D108-R110 PolarHBondContact O-N 2.81Å; D108-R110 VanDerWaalsContact OD1-CB 3.32Å; D108-R110 WeakPolarHBondContact OD1-CB 3.13Å; D108-R110 VanDerWaalsContact OD1-CG 3.31Å; D108-R110 WeakPolarHBondContact OD1-CG 3.25Å; D108-R110 PolarHBondContact OD1-N 3.24Å; D108-R110 IonicContact OD1-NE 2.69Å; D108-R110 PolarHBondContact OD1-NE 2.84Å; D108-R110 IonicContact OD2-CZ 2.77Å; D108-R110 IonicContact OD2-NE 3.9Å; D108-R110 PolarHBondContact OD2-NE 3.34Å; D108-R110 IonicContact OD2-NH2 3.47Å; D108-R110 PolarHBondContact OD2-NH2 2.93Å; D108-D111 PolarHBondContact O-N 3.3Å
109R66Low72.4Confident69 Ų6961.2 Ų61.226%0.2629%0.286SS..G310 helixtrans-63.2-21.9178.4-70.3-178.6177153.4-0.4112.2L101 L102 F105 C107 D111 I112 D888L101-R109 PolarHBondContact O-NE 2.88Å; L101-R109 PolarHBondContact O-NH2 3.37Å; L102-R109 PolarHBondContact O-NH2 2.91Å; F105-R109 HydrophobicContact CD1-CG 4.27Å; F105-R109 HydrophobicContact CE1-CG 4.45Å; C107-R109 PolarHBondContact O-N 3.44Å; R109-D111 PolarHBondContact O-N 3.29Å; R109-I112 WeakPolarHBondContact O-CB 3.34Å; R109-I112 VanDerWaalsContact O-CG2 3.22Å; R109-I112 WeakPolarHBondContact O-CG2 3.3Å; R109-I112 PolarHBondContact O-N 3.43Å; R109-D888 VanDerWaalsContact CD-OD2 3.24Å; R109-D888 WeakPolarHBondContact CD-OD2 3.34Å; R109-D888 VanDerWaalsContact CG-OD2 3.26Å; R109-D888 WeakPolarHBondContact CG-OD2 3.36Å; R109-D888 IonicContact NE-OD2 3.53Å; R109-D888 IonicContact NH1-OD1 3.19Å; R109-D888 PolarHBondContact NH1-OD1 2.8Å
110R63.7Low72.6Confident135 Ų13563.7 Ų63.751%0.50931%0.308SS..G310 helixtrans-63.1-32.2174.3-65.2-179.4-72.4-172.5-0.4112D108 I112D108-R110 PolarHBondContact O-N 2.81Å; D108-R110 VanDerWaalsContact OD1-CB 3.32Å; D108-R110 WeakPolarHBondContact OD1-CB 3.13Å; D108-R110 VanDerWaalsContact OD1-CG 3.31Å; D108-R110 WeakPolarHBondContact OD1-CG 3.25Å; D108-R110 PolarHBondContact OD1-N 3.24Å; D108-R110 IonicContact OD1-NE 2.69Å; D108-R110 PolarHBondContact OD1-NE 2.84Å; D108-R110 IonicContact OD2-CZ 2.77Å; D108-R110 IonicContact OD2-NE 3.9Å; D108-R110 PolarHBondContact OD2-NE 3.34Å; D108-R110 IonicContact OD2-NH2 3.47Å; D108-R110 PolarHBondContact OD2-NH2 2.93Å; R110-I112 VanDerWaalsContact C-N 3.32Å; R110-I112 PolarHBondContact O-N 3.39Å
111D70.1Confident72.6Confident70 Ų7067.5 Ų67.537%0.37433%0.325SS..G310 helixtrans-85.8-5.3-176-56.9-18.1000112.3D108 R109 H113 E114 V115D108-D111 PolarHBondContact O-N 3.3Å; R109-D111 PolarHBondContact O-N 3.29Å; D111-H113 PolarHBondContact O-N 2.91Å; D111-H113 VanDerWaalsContact O-N 3.07Å; D111-E114 WeakPolarHBondContact O-CA 3.32Å; D111-E114 WeakPolarHBondContact O-CB 3.35Å; D111-E114 PolarHBondContact O-N 3.45Å; D111-V115 HydrophobicContact CB-CG2 4.31Å; D111-V115 VanDerWaalsContact O-CG2 3.28Å; D111-V115 WeakPolarHBondContact O-CG2 3.14Å; D111-V115 PolarHBondContact O-N 2.89Å
112I72.9Confident72.9Confident25 Ų2566.9 Ų66.913%0.12832%0.323CS..Hα-helixtrans-56.7-33.3-175.3-158.5171.3000112.3L101 F105 R109 R110 L116L101-I112 HydrophobicContact CD1-CD1 3.79Å; L101-I112 HydrophobicContact CD2-CD1 3.55Å; L101-I112 HydrophobicContact CG-CD1 4.33Å; F105-I112 HydrophobicContact CZ-CG1 4.36Å; R109-I112 WeakPolarHBondContact O-CB 3.34Å; R109-I112 VanDerWaalsContact O-CG2 3.22Å; R109-I112 WeakPolarHBondContact O-CG2 3.3Å; R109-I112 PolarHBondContact O-N 3.43Å; R110-I112 VanDerWaalsContact C-N 3.32Å; R110-I112 PolarHBondContact O-N 3.39Å; I112-L116 HydrophobicContact CG1-CD1 4.05Å; I112-L116 HydrophobicContact CG1-CG 4.27Å; I112-L116 VanDerWaalsContact O-CB 3.27Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 WeakPolarHBondContact O-CG 3.29Å; I112-L116 PolarHBondContact O-N 3.14Å
113H72.6Confident73.5Confident93 Ų9371.4 Ų71.443%0.43134%0.339SS..Hα-helixtrans-68.3-37.5176.3-76.9-79.8000112.3N72 D111 Q117N72-H113 PolarHBondContact ND2-CE1 3.43Å; N72-H113 PolarHBondContact ND2-ND1 3.22Å; D111-H113 PolarHBondContact O-N 2.91Å; D111-H113 VanDerWaalsContact O-N 3.07Å; H113-Q117 WeakPolarHBondContact O-CG 3.42Å; H113-Q117 PolarHBondContact O-N 3.4Å
114E76.9Confident74.1Confident135 Ų13573.9 Ų73.963%0.63135%0.352SS*.Hα-helixtrans-73.3-44.4177.3-58.5-171.1169.400110.5D111 L116 Q117 E118D111-E114 WeakPolarHBondContact O-CA 3.32Å; D111-E114 WeakPolarHBondContact O-CB 3.35Å; D111-E114 PolarHBondContact O-N 3.45Å; E114-L116 VanDerWaalsContact C-N 3.34Å; E114-L116 PolarHBondContact O-N 3.07Å; E114-Q117 PolarHBondContact O-N 3.39Å; E114-E118 PolarHBondContact O-N 2.94Å
115V76Confident74.8Confident12 Ų1271.9 Ų71.97%0.07334%0.343CS..Hα-helixtrans-58.5-43.5176.5173.40000111.6D111 Q121 S122 L125D111-V115 HydrophobicContact CB-CG2 4.31Å; D111-V115 VanDerWaalsContact O-CG2 3.28Å; D111-V115 WeakPolarHBondContact O-CG2 3.14Å; D111-V115 PolarHBondContact O-N 2.89Å; V115-Q121 HydrophobicContact CG1-CB 4Å; V115-S122 PolarHBondContact O-N 3.41Å; V115-L125 HydrophobicContact CG1-CD2 4.24Å
116L78.6Confident75.4Confident14 Ų1471.7 Ų71.77%0.07334%0.343CS..Hα-helixtrans-73.6-27.2179.5-70.2174.2000112.9V74 F78 I112 E114 L125V74-L116 HydrophobicContact CG1-CB 3.78Å; F78-L116 HydrophobicContact CB-CD2 3.94Å; F78-L116 HydrophobicContact CD1-CD2 4.07Å; F78-L116 HydrophobicContact CD2-CD2 3.65Å; F78-L116 HydrophobicContact CE2-CD2 4.17Å; F78-L116 HydrophobicContact CG-CD2 3.58Å; I112-L116 HydrophobicContact CG1-CD1 4.05Å; I112-L116 HydrophobicContact CG1-CG 4.27Å; I112-L116 VanDerWaalsContact O-CB 3.27Å; I112-L116 WeakPolarHBondContact O-CB 3.43Å; I112-L116 WeakPolarHBondContact O-CG 3.29Å; I112-L116 PolarHBondContact O-N 3.14Å; E114-L116 VanDerWaalsContact C-N 3.34Å; E114-L116 PolarHBondContact O-N 3.07Å; L116-L125 HydrophobicContact CD2-CD2 3.8Å
117Q78.8Confident76.1Confident143 Ų14372.7 Ų72.767%0.66834%0.338SS*.Hα-helixtrans-74.8-35.9175.3-77.6175.720.400112.1H113 E114 R119H113-Q117 WeakPolarHBondContact O-CG 3.42Å; H113-Q117 PolarHBondContact O-N 3.4Å; E114-Q117 PolarHBondContact O-N 3.39Å; Q117-R119 PolarHBondContact O-N 3.43Å
118E82Confident76.7Confident96 Ų9672.6 Ų72.645%0.44934%0.335SS..SBendtrans-80.1107.5178.5-167.6178.9168.300111.4E114 A120 Q121 S122E114-E118 PolarHBondContact O-N 2.94Å; E118-A120 PolarHBondContact O-N 3.12Å; E118-Q121 HydrophobicContact CB-CB 4.33Å; E118-Q121 HydrophobicContact CB-CG 4.14Å; E118-Q121 HydrophobicContact CG-CG 4.14Å; E118-Q121 PolarHBondContact O-N 2.93Å; E118-Q121 PolarHBondContact OE2-NE2 3.01Å; E118-S122 PolarHBondContact O-N 3.12Å
119R77.3Confident77.6Confident203 Ų20372 Ų7277%0.76633%0.332SS*.Hα-helixtrans-52.4-32.4-177.7-77.9-172.2179.1156.10.1115.5Q117 S122 R123Q117-R119 PolarHBondContact O-N 3.43Å; R119-S122 WeakPolarHBondContact CA-OG 3.48Å; R119-S122 PolarHBondContact O-OG 3.43Å; R119-R123 WeakPolarHBondContact O-CB 3.36Å; R119-R123 WeakPolarHBondContact O-CD 3.19Å; R119-R123 VanDerWaalsContact O-CG 3.22Å; R119-R123 WeakPolarHBondContact O-CG 3.44Å; R119-R123 PolarHBondContact O-N 3.28Å
120A78.4Confident78.4Confident67 Ų6768.8 Ų68.855%0.55432%0.32SS*.Hα-helixtrans-69.9-45.1179.200000111E118 E124E118-A120 PolarHBondContact O-N 3.12Å; A120-E124 PolarHBondContact O-N 3.49Å
121Q79.7Confident79.2Confident82 Ų8263.1 Ų63.138%0.38330%0.301SS..Hα-helixtrans-72.8-36.8178.9-55.8-171.38.900111.7V115 E118 R123 E124 L125V115-Q121 HydrophobicContact CG1-CB 4Å; E118-Q121 HydrophobicContact CB-CB 4.33Å; E118-Q121 HydrophobicContact CB-CG 4.14Å; E118-Q121 HydrophobicContact CG-CG 4.14Å; E118-Q121 PolarHBondContact O-N 2.93Å; E118-Q121 PolarHBondContact OE2-NE2 3.01Å; Q121-R123 VanDerWaalsContact C-N 3.33Å; Q121-R123 PolarHBondContact O-N 3.14Å; Q121-E124 PolarHBondContact O-N 2.97Å; Q121-L125 WeakPolarHBondContact O-CB 3.39Å; Q121-L125 PolarHBondContact O-N 3.42Å
122S80Confident79.7Confident10 Ų1059.9 Ų59.97%0.0728%0.284CS..Hα-helixtrans-62.2-39.717578.10000112F78 V115 E118 R119 L125 C126F78-S122 WeakPolarHBondContact CE2-O 3.27Å; V115-S122 PolarHBondContact O-N 3.41Å; E118-S122 PolarHBondContact O-N 3.12Å; R119-S122 WeakPolarHBondContact CA-OG 3.48Å; R119-S122 PolarHBondContact O-OG 3.43Å; S122-L125 WeakPolarHBondContact O-CB 3.23Å; S122-L125 PolarHBondContact O-N 3.08Å; S122-C126 WeakPolarHBondContact O-CB 3.5Å; S122-C126 PolarHBondContact O-N 2.94Å
123R82.2Confident80.1Confident108 Ų10858.8 Ų58.841%0.40828%0.278SS..Hα-helixtrans-66.6-40.2175.2-75.7173.7175.1-139.2-15.1112.6R119 Q121 C126 R127 E194R119-R123 WeakPolarHBondContact O-CB 3.36Å; R119-R123 WeakPolarHBondContact O-CD 3.19Å; R119-R123 VanDerWaalsContact O-CG 3.22Å; R119-R123 WeakPolarHBondContact O-CG 3.44Å; R119-R123 PolarHBondContact O-N 3.28Å; Q121-R123 VanDerWaalsContact C-N 3.33Å; Q121-R123 PolarHBondContact O-N 3.14Å; R123-C126 WeakPolarHBondContact O-CB 3.46Å; R123-C126 PolarHBondContact O-N 3.07Å; R123-R127 PolarHBondContact O-N 3.27Å; R123-E194 IonicContact CZ-OE1 3.82Å; R123-E194 IonicContact NH1-OE1 2.75Å; R123-E194 PolarHBondContact NH1-OE1 3.31Å; R123-E194 VanDerWaalsContact NH1-OE1 3.14Å; R123-E194 IonicContact NH2-OE1 3.16Å; R123-E194 PolarHBondContact NH2-OE1 3.47Å; R123-E194 IonicContact NH2-OE2 2.72Å
124E80.1Confident80.4Confident92 Ų9255.5 Ų55.543%0.4326%0.263SS..Hα-helixtrans-66.4-41.1175.2-169.357.8-155.300111.3A120 Q121 C126 R127 V128A120-E124 PolarHBondContact O-N 3.49Å; Q121-E124 PolarHBondContact O-N 2.97Å; E124-C126 VanDerWaalsContact C-N 3.28Å; E124-C126 PolarHBondContact O-N 2.63Å; E124-R127 WeakPolarHBondContact O-CB 3.43Å; E124-R127 PolarHBondContact O-N 3.25Å; E124-R127 VanDerWaalsContact O-N 3.1Å; E124-R127 WeakPolarHBondContact OE2-CD 3.41Å; E124-R127 IonicContact OE2-CZ 3.69Å; E124-R127 IonicContact OE2-NH1 3.42Å; E124-R127 PolarHBondContact OE2-NH1 3.4Å; E124-V128 WeakPolarHBondContact O-CG2 3.32Å; E124-V128 PolarHBondContact O-N 3.08Å
125L83.8Confident80.5Confident14 Ų1450 Ų507%0.07324%0.239CC..Hα-helixtrans-58.3-41.3172-173.865.5000111.6F78 F97 F100 F105 V115 L116 Q121 S122 R127 V128 F129F78-L125 HydrophobicContact CE1-CD2 4.41Å; F78-L125 HydrophobicContact CE2-CB 4.45Å; F78-L125 HydrophobicContact CE2-CD2 4.21Å; F78-L125 HydrophobicContact CE2-CG 4.45Å; F78-L125 HydrophobicContact CZ-CB 4.38Å; F78-L125 HydrophobicContact CZ-CD2 3.91Å; F78-L125 HydrophobicContact CZ-CG 3.98Å; F97-L125 HydrophobicContact CE2-CD2 4.39Å; F97-L125 HydrophobicContact CZ-CD2 4.32Å; F100-L125 HydrophobicContact CE1-CD1 3.65Å; F100-L125 HydrophobicContact CE1-CG 4.49Å; F100-L125 HydrophobicContact CZ-CD1 3.94Å; F105-L125 HydrophobicContact CD2-CD1 3.87Å; F105-L125 HydrophobicContact CE2-CD1 3.63Å; V115-L125 HydrophobicContact CG1-CD2 4.24Å; L116-L125 HydrophobicContact CD2-CD2 3.8Å; Q121-L125 WeakPolarHBondContact O-CB 3.39Å; Q121-L125 PolarHBondContact O-N 3.42Å; S122-L125 WeakPolarHBondContact O-CB 3.23Å; S122-L125 PolarHBondContact O-N 3.08Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 2.58Å; L125-V128 PolarHBondContact O-N 2.87Å; L125-F129 VanDerWaalsContact O-CB 3.22Å; L125-F129 WeakPolarHBondContact O-CB 3.45Å; L125-F129 PolarHBondContact O-N 2.94Å
126C83.8Confident80.6Confident7 Ų750.3 Ų50.35%0.04724%0.239CC..Hα-helixtrans-63.3-37.1176.2-166.40000112.1F78 S122 R123 E124 G130F78-C126 HydrophobicContact CE2-CB 4.1Å; F78-C126 HydrophobicContact CZ-CB 4.26Å; S122-C126 WeakPolarHBondContact O-CB 3.5Å; S122-C126 PolarHBondContact O-N 2.94Å; R123-C126 WeakPolarHBondContact O-CB 3.46Å; R123-C126 PolarHBondContact O-N 3.07Å; E124-C126 VanDerWaalsContact C-N 3.28Å; E124-C126 PolarHBondContact O-N 2.63Å; C126-G130 PolarHBondContact O-N 2.9Å
127R81.4Confident80.8Confident79 Ų7949.9 Ų49.930%0.29824%0.237SC..Hα-helixtrans-65.8-47.2173.4-72.4170.4177.8171.4-7.5112.4R123 E124 L125 F129 G130 C131 E194 L195 I200R123-R127 PolarHBondContact O-N 3.27Å; E124-R127 WeakPolarHBondContact O-CB 3.43Å; E124-R127 PolarHBondContact O-N 3.25Å; E124-R127 VanDerWaalsContact O-N 3.1Å; E124-R127 WeakPolarHBondContact OE2-CD 3.41Å; E124-R127 IonicContact OE2-CZ 3.69Å; E124-R127 IonicContact OE2-NH1 3.42Å; E124-R127 PolarHBondContact OE2-NH1 3.4Å; L125-R127 VanDerWaalsContact C-N 3.32Å; L125-R127 PolarHBondContact O-N 2.58Å; R127-F129 VanDerWaalsContact C-N 3.31Å; R127-F129 PolarHBondContact O-N 3.32Å; R127-G130 PolarHBondContact O-N 3.34Å; R127-C131 PolarHBondContact O-N 3.27Å; R127-C131 PolarHBondContact O-SG 3.01Å; R127-E194 PolarHBondContact NE-O 2.98Å; R127-E194 PolarHBondContact NH2-O 2.87Å; R127-L195 HydrophobicContact CG-CD2 4.1Å; R127-I200 HydrophobicContact CB-CD1 4.46Å
128V81.2Confident81Confident57 Ų5743.1 Ų43.135%0.34521%0.205SC..Hα-helixtrans-62.1-44.2177.7178.20000109.9F100 E124 L125 G130 C131 Y132F100-V128 HydrophobicContact CE2-CG1 3.72Å; F100-V128 HydrophobicContact CZ-CB 4.43Å; F100-V128 HydrophobicContact CZ-CG1 3.8Å; E124-V128 WeakPolarHBondContact O-CG2 3.32Å; E124-V128 PolarHBondContact O-N 3.08Å; L125-V128 PolarHBondContact O-N 2.87Å; V128-G130 VanDerWaalsContact C-N 3.32Å; V128-G130 PolarHBondContact O-N 3.27Å; V128-C131 WeakPolarHBondContact O-CB 3.37Å; V128-C131 PolarHBondContact O-N 2.87Å; V128-C131 VanDerWaalsContact O-N 3.1Å; V128-Y132 PolarHBondContact O-N 2.9Å
129F84.4Confident81Confident1 Ų138.6 Ų38.60%0.00418%0.184CC..Hα-helixtrans-61-39.9174178.4-122.7000112.4A82 L86 A93 C96 F97 F100 L125 R127 C131 Y132 V133A82-F129 HydrophobicContact CB-CD1 4.06Å; A82-F129 HydrophobicContact CB-CE1 4.09Å; L86-F129 HydrophobicContact CD1-CD1 3.61Å; L86-F129 HydrophobicContact CD1-CE1 3.56Å; L86-F129 HydrophobicContact CD1-CZ 4.5Å; A93-F129 WeakPolarHBondContact O-CZ 3.17Å; C96-F129 HydrophobicContact CB-CE2 3.83Å; C96-F129 HydrophobicContact CB-CZ 3.82Å; F97-F129 VanDerWaalsContact CA-CE2 3.48Å; F97-F129 HydrophobicContact CB-CE2 3.88Å; F97-F129 HydrophobicContact CB-CZ 3.86Å; F97-F129 HydrophobicContact CD2-CD1 4.38Å; F97-F129 AromaticContact CD2-CD2 3.87Å; F97-F129 HydrophobicContact CD2-CD2 3.87Å; F97-F129 HydrophobicContact CD2-CE1 4.49Å; F97-F129 HydrophobicContact CD2-CE2 4.01Å; F97-F129 HydrophobicContact CD2-CG 4.07Å; F97-F129 HydrophobicContact CD2-CZ 4.32Å; F97-F129 HydrophobicContact CG-CE2 4.48Å; F100-F129 HydrophobicContact CB-CD2 3.92Å; F100-F129 HydrophobicContact CB-CE2 4.19Å; F100-F129 HydrophobicContact CD1-CD2 4.09Å; F100-F129 AromaticContact CG-CD2 3.91Å; F100-F129 HydrophobicContact CG-CD2 3.91Å; L125-F129 VanDerWaalsContact O-CB 3.22Å; L125-F129 WeakPolarHBondContact O-CB 3.45Å; L125-F129 PolarHBondContact O-N 2.94Å; R127-F129 VanDerWaalsContact C-N 3.31Å; R127-F129 PolarHBondContact O-N 3.32Å; F129-C131 VanDerWaalsContact C-N 3.31Å; F129-C131 PolarHBondContact O-N 3.2Å; F129-Y132 HydrophobicContact CD2-CD1 4.25Å; F129-Y132 HydrophobicContact CE2-CD1 4.17Å; F129-Y132 WeakPolarHBondContact O-CB 3.4Å; F129-Y132 PolarHBondContact O-N 3.01Å; F129-V133 HydrophobicContact CD2-CG2 4.27Å; F129-V133 HydrophobicContact CE1-CG2 4.16Å; F129-V133 HydrophobicContact CE2-CG2 3.77Å; F129-V133 HydrophobicContact CZ-CG2 3.71Å; F129-V133 WeakPolarHBondContact O-CG2 3.43Å; F129-V133 PolarHBondContact O-N 2.87Å
130G82.4Confident81.2Confident1 Ų129.3 Ų29.31%0.0115%0.15CC..Hα-helixtrans-60.6-38.1172.600000113.1C126 R127 V128 K134C126-G130 PolarHBondContact O-N 2.9Å; R127-G130 PolarHBondContact O-N 3.34Å; V128-G130 VanDerWaalsContact C-N 3.32Å; V128-G130 PolarHBondContact O-N 3.27Å; G130-K134 VanDerWaalsContact O-CG 3.28Å; G130-K134 WeakPolarHBondContact O-CG 3.3Å; G130-K134 PolarHBondContact O-N 3.45Å; G130-K134 VanDerWaalsContact O-N 3.08Å
131C80.5Confident81.6Confident16 Ų1626.2 Ų26.211%0.10812%0.124CC..Hα-helixtrans-64.3-43.4172.8-61.70000111.6R127 V128 F129 K134 T135 I200 L203R127-C131 PolarHBondContact O-N 3.27Å; R127-C131 PolarHBondContact O-SG 3.01Å; V128-C131 WeakPolarHBondContact O-CB 3.37Å; V128-C131 PolarHBondContact O-N 2.87Å; V128-C131 VanDerWaalsContact O-N 3.1Å; F129-C131 VanDerWaalsContact C-N 3.31Å; F129-C131 PolarHBondContact O-N 3.2Å; C131-K134 PolarHBondContact O-N 3.21Å; C131-T135 WeakPolarHBondContact O-CB 3.28Å; C131-T135 PolarHBondContact O-N 3.44Å; C131-T135 PolarHBondContact O-OG1 3.49Å; C131-I200 WeakPolarHBondContact SG-CG1 3.45Å; C131-L203 HydrophobicContact CB-CD1 3.82Å
132Y80.7Confident81.8Confident2 Ų222.9 Ų22.91%0.00811%0.108CC..Hα-helixtrans-58.4-51176.4172.4-101000111.6C96 C99 F100 E104 V128 F129 K134 T135 E136C96-Y132 HydrophobicContact CB-CE1 4.34Å; C96-Y132 WeakPolarHBondContact O-CE1 3.24Å; C99-Y132 HydrophobicContact CB-CE1 4.37Å; C99-Y132 WeakPolarHBondContact CB-OH 3.5Å; F100-Y132 HydrophobicContact CB-CD1 3.78Å; F100-Y132 HydrophobicContact CB-CE1 3.99Å; F100-Y132 HydrophobicContact CB-CG 4.1Å; F100-Y132 HydrophobicContact CD2-CD1 4.4Å; F100-Y132 HydrophobicContact CD2-CD2 4.32Å; F100-Y132 AromaticContact CD2-CG 3.91Å; F100-Y132 HydrophobicContact CD2-CG 3.91Å; F100-Y132 HydrophobicContact CG-CD1 4.48Å; F100-Y132 HydrophobicContact CG-CG 4.44Å; E104-Y132 VanDerWaalsContact CD-CD2 3.4Å; E104-Y132 HydrophobicContact CG-CD2 4.07Å; E104-Y132 HydrophobicContact CG-CE2 4.38Å; E104-Y132 VanDerWaalsContact OE2-CD2 3.27Å; E104-Y132 WeakPolarHBondContact OE2-CD2 3.25Å; V128-Y132 PolarHBondContact O-N 2.9Å; F129-Y132 HydrophobicContact CD2-CD1 4.25Å; F129-Y132 HydrophobicContact CE2-CD1 4.17Å; F129-Y132 WeakPolarHBondContact O-CB 3.4Å; F129-Y132 PolarHBondContact O-N 3.01Å; Y132-K134 VanDerWaalsContact C-N 3.31Å; Y132-K134 PolarHBondContact O-N 2.87Å; Y132-T135 WeakPolarHBondContact O-CB 3.37Å; Y132-T135 PolarHBondContact O-N 3.25Å; Y132-T135 VanDerWaalsContact O-N 3.09Å; Y132-E136 HydrophobicContact CD1-CG 4.45Å; Y132-E136 HydrophobicContact CE1-CG 3.88Å; Y132-E136 HydrophobicContact CE2-CG 4.01Å; Y132-E136 PolarHBondContact O-N 3.49Å
133V80.9Confident81.9Confident3 Ų322.5 Ų22.52%0.01811%0.105CC..Hα-helixtrans-58.2-44.3178.3169.20000111.3L86 L88 C96 F129 T135 E136 Q137L86-V133 HydrophobicContact CD1-CG2 4.1Å; L88-V133 HydrophobicContact CD1-CG1 3.88Å; L88-V133 HydrophobicContact CD1-CG2 4.24Å; C96-V133 HydrophobicContact CB-CG2 4.22Å; F129-V133 HydrophobicContact CD2-CG2 4.27Å; F129-V133 HydrophobicContact CE1-CG2 4.16Å; F129-V133 HydrophobicContact CE2-CG2 3.77Å; F129-V133 HydrophobicContact CZ-CG2 3.71Å; F129-V133 WeakPolarHBondContact O-CG2 3.43Å; F129-V133 PolarHBondContact O-N 2.87Å; V133-T135 VanDerWaalsContact C-N 3.29Å; V133-T135 PolarHBondContact O-N 3.43Å; V133-E136 PolarHBondContact O-N 3.49Å; V133-Q137 WeakPolarHBondContact O-CG 3.33Å; V133-Q137 PolarHBondContact O-N 2.89Å
134K79.3Confident82Confident24 Ų2417.4 Ų17.410%0.1049%0.086CC..Hα-helixtrans-64.7-36.6178.1-71-69.6167.4-165.10112.3G130 C131 Y132 Q137 I138 Y182 L203 N204 L207G130-K134 VanDerWaalsContact O-CG 3.28Å; G130-K134 WeakPolarHBondContact O-CG 3.3Å; G130-K134 PolarHBondContact O-N 3.45Å; G130-K134 VanDerWaalsContact O-N 3.08Å; C131-K134 PolarHBondContact O-N 3.21Å; Y132-K134 VanDerWaalsContact C-N 3.31Å; Y132-K134 PolarHBondContact O-N 2.87Å; K134-Q137 PolarHBondContact O-N 3.35Å; K134-I138 VanDerWaalsContact O-CG1 3.3Å; K134-I138 WeakPolarHBondContact O-CG1 3.46Å; K134-I138 PolarHBondContact O-N 3.38Å; K134-Y182 PolarHBondContact NZ-OH 3.43Å; K134-L203 HydrophobicContact CB-CB 4.01Å; K134-L203 HydrophobicContact CB-CD1 4.28Å; K134-N204 VanDerWaalsContact CD-OD1 3.22Å; K134-N204 WeakPolarHBondContact CD-OD1 3.3Å; K134-N204 WeakPolarHBondContact CE-OD1 3.39Å; K134-L207 HydrophobicContact CD-CD2 4.08Å
135T78.7Confident82.2Confident20 Ų2013.1 Ų13.112%0.1237%0.066CC..Hα-helixtrans-65.2-45.8175.3-57.90000111.2C131 Y132 V133 Q137 I138 Y139C131-T135 WeakPolarHBondContact O-CB 3.28Å; C131-T135 PolarHBondContact O-N 3.44Å; C131-T135 PolarHBondContact O-OG1 3.49Å; Y132-T135 WeakPolarHBondContact O-CB 3.37Å; Y132-T135 PolarHBondContact O-N 3.25Å; Y132-T135 VanDerWaalsContact O-N 3.09Å; V133-T135 VanDerWaalsContact C-N 3.29Å; V133-T135 PolarHBondContact O-N 3.43Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 2.95Å; T135-I138 WeakPolarHBondContact O-CB 3.48Å; T135-I138 PolarHBondContact O-N 3.33Å; T135-Y139 HydrophobicContact CG2-CD2 3.79Å; T135-Y139 HydrophobicContact CG2-CE2 3.45Å; T135-Y139 VanDerWaalsContact CG2-CE2 3.45Å; T135-Y139 WeakPolarHBondContact O-CD2 3.38Å; T135-Y139 PolarHBondContact O-N 3.34Å
136E78.8Confident82.1Confident18 Ų1814.6 Ų14.68%0.0847%0.072CC..Hα-helixtrans-59.3-42.2173.8-75.1-65.5123.300111.7T15 A16 Y132 V133 I138 Y139 L140T15-E136 WeakPolarHBondContact CB-OE1 3.42Å; A16-E136 WeakPolarHBondContact CB-OE2 3.3Å; A16-E136 PolarHBondContact N-OE2 3.49Å; Y132-E136 HydrophobicContact CD1-CG 4.45Å; Y132-E136 HydrophobicContact CE1-CG 3.88Å; Y132-E136 HydrophobicContact CE2-CG 4.01Å; Y132-E136 PolarHBondContact O-N 3.49Å; V133-E136 PolarHBondContact O-N 3.49Å; E136-I138 PolarHBondContact O-N 2.9Å; E136-Y139 PolarHBondContact O-N 2.87Å; E136-L140 WeakPolarHBondContact O-CG 3.37Å; E136-L140 PolarHBondContact O-N 2.99Å
137Q83.1Confident82Confident4 Ų414.6 Ų14.62%0.0197%0.072CC..Hα-helixtrans-60-43.2175.4-73.5173.4-11.300112.6F52 V133 K134 T135 L140 V141 Y182 L207F52-Q137 HydrophobicContact CE1-CB 4.25Å; F52-Q137 HydrophobicContact CE1-CG 4.27Å; V133-Q137 WeakPolarHBondContact O-CG 3.33Å; V133-Q137 PolarHBondContact O-N 2.89Å; K134-Q137 PolarHBondContact O-N 3.35Å; T135-Q137 VanDerWaalsContact C-N 3.32Å; T135-Q137 PolarHBondContact O-N 2.95Å; Q137-L140 PolarHBondContact O-N 3.44Å; Q137-V141 WeakPolarHBondContact O-CG2 3.3Å; Q137-V141 PolarHBondContact O-N 2.99Å; Q137-V141 VanDerWaalsContact O-N 3.17Å; Q137-Y182 PolarHBondContact NE2-OH 3.19Å; Q137-Y182 PolarHBondContact OE1-OH 3.27Å; Q137-Y182 VanDerWaalsContact OE1-OH 3.07Å; Q137-L207 HydrophobicContact CB-CD1 3.98Å; Q137-L207 HydrophobicContact CB-CD2 4.12Å
138I82.7Confident82Confident1 Ų110.9 Ų10.91%0.0056%0.058CC..Hα-helixtrans-58.5-49.7175.4-72.3167.1000110.1K134 T135 E136 L140 V141 R142 L203 A206 L207 E210K134-I138 VanDerWaalsContact O-CG1 3.3Å; K134-I138 WeakPolarHBondContact O-CG1 3.46Å; K134-I138 PolarHBondContact O-N 3.38Å; T135-I138 WeakPolarHBondContact O-CB 3.48Å; T135-I138 PolarHBondContact O-N 3.33Å; E136-I138 PolarHBondContact O-N 2.9Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 PolarHBondContact O-N 3.05Å; I138-V141 PolarHBondContact O-N 3.35Å; I138-R142 WeakPolarHBondContact O-CG 3.41Å; I138-R142 PolarHBondContact O-N 3.31Å; I138-L203 HydrophobicContact CD1-CB 4.45Å; I138-L203 HydrophobicContact CD1-CD2 3.84Å; I138-A206 HydrophobicContact CD1-CB 3.93Å; I138-L207 HydrophobicContact CD1-CB 4.48Å; I138-L207 HydrophobicContact CG1-CB 3.87Å; I138-L207 HydrophobicContact CG1-CD1 3.99Å; I138-E210 HydrophobicContact CG2-CG 4.03Å
139Y81.2Confident82Confident2 Ų28.6 Ų8.61%0.0084%0.043CC..Hα-helixtrans-65.8-33.8-179.8-74.8-67.8000113E17 W20 T135 E136 R142 C143 L852E17-Y139 HydrophobicContact CB-CD1 4.47Å; E17-Y139 HydrophobicContact CB-CD2 3.74Å; E17-Y139 HydrophobicContact CB-CE2 4.04Å; E17-Y139 HydrophobicContact CB-CG 4Å; E17-Y139 HydrophobicContact CG-CD1 4.46Å; E17-Y139 HydrophobicContact CG-CD2 3.95Å; E17-Y139 HydrophobicContact CG-CE1 4.25Å; E17-Y139 HydrophobicContact CG-CE2 3.72Å; E17-Y139 HydrophobicContact CG-CG 4.35Å; W20-Y139 HydrophobicContact CB-CD1 3.94Å; W20-Y139 AromaticContact CD2-CD1 3.91Å; W20-Y139 HydrophobicContact CD2-CD1 3.91Å; W20-Y139 HydrophobicContact CD2-CE1 4Å; W20-Y139 AromaticContact CE3-CD1 3.83Å; W20-Y139 HydrophobicContact CE3-CD1 3.83Å; W20-Y139 AromaticContact CE3-CE1 3.51Å; W20-Y139 HydrophobicContact CE3-CE1 3.51Å; W20-Y139 AromaticContact CG-CD1 3.98Å; W20-Y139 HydrophobicContact CG-CD1 3.98Å; W20-Y139 HydrophobicContact CH2-CE1 4.44Å; W20-Y139 HydrophobicContact CZ3-CD1 4.5Å; W20-Y139 AromaticContact CZ3-CE1 3.77Å; W20-Y139 HydrophobicContact CZ3-CE1 3.77Å; T135-Y139 HydrophobicContact CG2-CD2 3.79Å; T135-Y139 HydrophobicContact CG2-CE2 3.45Å; T135-Y139 VanDerWaalsContact CG2-CE2 3.45Å; T135-Y139 WeakPolarHBondContact O-CD2 3.38Å; T135-Y139 PolarHBondContact O-N 3.34Å; E136-Y139 PolarHBondContact O-N 2.87Å; Y139-R142 PolarHBondContact O-N 2.94Å; Y139-C143 PolarHBondContact O-N 3.34Å; Y139-C143 PolarHBondContact O-SG 3.11Å; Y139-L852 HydrophobicContact CE1-CD2 4.25Å; Y139-L852 VanDerWaalsContact OH-CD1 3.31Å; Y139-L852 WeakPolarHBondContact OH-CD1 3.39Å; Y139-L852 WeakPolarHBondContact OH-CD2 3.32Å
140L83.1Confident81.8Confident8 Ų89.5 Ų9.54%0.0425%0.051CC..Hα-helixtrans-59.7-47.3172.4-74171.8000111.8A16 I44 Y51 F52 E136 Q137 I138 R142 C143 C144A16-L140 HydrophobicContact CB-CB 4.49Å; A16-L140 HydrophobicContact CB-CD2 3.56Å; A16-L140 HydrophobicContact CB-CG 3.61Å; I44-L140 HydrophobicContact CG2-CD2 3.77Å; Y51-L140 HydrophobicContact CD2-CD1 3.8Å; Y51-L140 HydrophobicContact CE2-CD1 4.39Å; Y51-L140 HydrophobicContact CG-CD1 4.16Å; F52-L140 HydrophobicContact CE2-CB 4.31Å; F52-L140 HydrophobicContact CZ-CB 4.2Å; E136-L140 WeakPolarHBondContact O-CG 3.37Å; E136-L140 PolarHBondContact O-N 2.99Å; Q137-L140 PolarHBondContact O-N 3.44Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 PolarHBondContact O-N 3.05Å; L140-R142 VanDerWaalsContact C-N 3.33Å; L140-R142 PolarHBondContact O-N 3.41Å; L140-C143 WeakPolarHBondContact O-CB 3.46Å; L140-C143 PolarHBondContact O-N 3.12Å; L140-C144 PolarHBondContact O-N 3.34Å; L140-C144 VanDerWaalsContact O-N 3.14Å; L140-C144 PolarHBondContact O-SG 3.48Å; L140-C144 VanDerWaalsContact O-SG 3.38Å
141V84.7Confident81.5Confident1 Ų111.5 Ų11.51%0.0067%0.067CC..Hα-helixtrans-64.9-38.8177.9-179.10000111.4F52 Q137 I138 C144 T145 L207 E210 I211 F214F52-V141 HydrophobicContact CE1-CG2 4.24Å; F52-V141 HydrophobicContact CE2-CG2 3.96Å; F52-V141 HydrophobicContact CZ-CG2 3.51Å; Q137-V141 WeakPolarHBondContact O-CG2 3.3Å; Q137-V141 PolarHBondContact O-N 2.99Å; Q137-V141 VanDerWaalsContact O-N 3.17Å; I138-V141 PolarHBondContact O-N 3.35Å; V141-C144 PolarHBondContact O-N 3.31Å; V141-T145 PolarHBondContact O-N 3.28Å; V141-T145 PolarHBondContact O-OG1 3.42Å; V141-L207 HydrophobicContact CG2-CD1 4.24Å; V141-E210 HydrophobicContact CB-CB 4.21Å; V141-E210 HydrophobicContact CG1-CB 3.94Å; V141-E210 WeakPolarHBondContact CG1-O 3.5Å; V141-I211 HydrophobicContact CG1-CG1 4.42Å; V141-I211 HydrophobicContact CG2-CG1 4.12Å; V141-F214 HydrophobicContact CG1-CB 3.81Å; V141-F214 HydrophobicContact CG1-CG 4.43Å
142R84.4Confident81.1Confident13 Ų1316.9 Ų16.95%0.0499%0.086CC..Hα-helixtrans-62.7-44.5174.7-72.1177.4170.8165.62.8112.6W20 I138 Y139 L140 C144 T145 E146 E210 S785 N787W20-R142 VanDerWaalsContact CD1-CB 3.44Å; W20-R142 HydrophobicContact CG-CB 4.19Å; I138-R142 WeakPolarHBondContact O-CG 3.41Å; I138-R142 PolarHBondContact O-N 3.31Å; Y139-R142 PolarHBondContact O-N 2.94Å; L140-R142 VanDerWaalsContact C-N 3.33Å; L140-R142 PolarHBondContact O-N 3.41Å; R142-C144 VanDerWaalsContact C-N 3.28Å; R142-C144 PolarHBondContact O-N 2.93Å; R142-T145 WeakPolarHBondContact O-CB 3.4Å; R142-T145 PolarHBondContact O-N 3.5Å; R142-T145 VanDerWaalsContact O-N 3.1Å; R142-E146 WeakPolarHBondContact O-CG 3.16Å; R142-E146 PolarHBondContact O-N 2.89Å; R142-E210 HydrophobicContact CG-CG 4.26Å; R142-E210 WeakPolarHBondContact CG-OE2 3.46Å; R142-E210 IonicContact CZ-OE1 3.22Å; R142-E210 VanDerWaalsContact CZ-OE1 3.3Å; R142-E210 IonicContact NE-OE1 2.78Å; R142-E210 PolarHBondContact NE-OE1 3.38Å; R142-E210 IonicContact NE-OE2 2.74Å; R142-E210 IonicContact NH2-OE1 2.61Å; R142-E210 PolarHBondContact NH2-OE1 3.46Å; R142-S785 PolarHBondContact NH1-O 2.71Å; R142-S785 PolarHBondContact NH2-O 2.8Å; R142-N787 PolarHBondContact NH2-OD1 3.03Å
143C82.2Confident80.7Confident1 Ų121.4 Ų21.41%0.00711%0.106CC..Hα-helixtrans-54.1-46.5173.5-74.10000111.2W20 L23 Y139 L140 T145 E146 L147W20-C143 VanDerWaalsContact CA-SG 3.6Å; W20-C143 VanDerWaalsContact CB-SG 3.57Å; W20-C143 PolarHBondContact N-SG 2.98Å; W20-C143 VanDerWaalsContact N-SG 3.41Å; L23-C143 HydrophobicContact CD1-CB 3.87Å; Y139-C143 PolarHBondContact O-N 3.34Å; Y139-C143 PolarHBondContact O-SG 3.11Å; L140-C143 WeakPolarHBondContact O-CB 3.46Å; L140-C143 PolarHBondContact O-N 3.12Å; C143-T145 VanDerWaalsContact C-N 3.33Å; C143-T145 PolarHBondContact O-N 3.08Å; C143-E146 PolarHBondContact O-N 3.49Å; C143-L147 VanDerWaalsContact O-CG 3.29Å; C143-L147 WeakPolarHBondContact O-CG 3.41Å; C143-L147 PolarHBondContact O-N 3.38Å
144C84.4Confident79.9Confident1 Ų124 Ų241%0.00713%0.133CC..Hα-helixtrans-62.8-39.7176.8-64.50000112.4L140 V141 R142 L147 I148 F170 F214L140-C144 PolarHBondContact O-N 3.34Å; L140-C144 VanDerWaalsContact O-N 3.14Å; L140-C144 PolarHBondContact O-SG 3.48Å; L140-C144 VanDerWaalsContact O-SG 3.38Å; V141-C144 PolarHBondContact O-N 3.31Å; R142-C144 VanDerWaalsContact C-N 3.28Å; R142-C144 PolarHBondContact O-N 2.93Å; C144-L147 PolarHBondContact O-N 3.42Å; C144-I148 WeakPolarHBondContact O-CG1 3.36Å; C144-I148 PolarHBondContact O-N 3.07Å; C144-F170 HydrophobicContact CB-CE1 4.15Å; C144-F170 HydrophobicContact CB-CZ 3.77Å; C144-F214 HydrophobicContact CB-CD2 3.88Å; C144-F214 HydrophobicContact CB-CE2 3.6Å
145T85.4Confident79.1Confident3 Ų330 Ų302%0.01817%0.166CC..Hα-helixtrans-65.6-45.8178-53.40000111.6V141 R142 C143 L147 I148 K149 T213 F214 W217V141-T145 PolarHBondContact O-N 3.28Å; V141-T145 PolarHBondContact O-OG1 3.42Å; R142-T145 WeakPolarHBondContact O-CB 3.4Å; R142-T145 PolarHBondContact O-N 3.5Å; R142-T145 VanDerWaalsContact O-N 3.1Å; C143-T145 VanDerWaalsContact C-N 3.33Å; C143-T145 PolarHBondContact O-N 3.08Å; T145-L147 VanDerWaalsContact C-N 3.31Å; T145-L147 PolarHBondContact O-N 3.49Å; T145-I148 PolarHBondContact O-N 3.2Å; T145-I148 VanDerWaalsContact O-N 3.14Å; T145-K149 WeakPolarHBondContact O-CG 3.27Å; T145-K149 PolarHBondContact O-N 2.89Å; T145-T213 HydrophobicContact CG2-CG2 4.38Å; T145-F214 WeakPolarHBondContact OG1-CB 3.4Å; T145-W217 HydrophobicContact CG2-CG 4.23Å
146E80.2Confident78.6Confident45 Ų4532 Ų3221%0.2117%0.172CC..Hα-helixtrans-63.9-35.2177.1-68.3-55128.100112.3L23 R142 C143 I148 K149 A150L23-E146 HydrophobicContact CB-CB 4.34Å; L23-E146 HydrophobicContact CD1-CB 4.5Å; R142-E146 WeakPolarHBondContact O-CG 3.16Å; R142-E146 PolarHBondContact O-N 2.89Å; C143-E146 PolarHBondContact O-N 3.49Å; E146-I148 VanDerWaalsContact C-N 3.34Å; E146-I148 PolarHBondContact O-N 3.31Å; E146-K149 PolarHBondContact O-N 3.4Å; E146-K149 IonicContact OE1-NZ 3.53Å; E146-K149 PolarHBondContact OE1-NZ 2.74Å; E146-A150 VanDerWaalsContact O-CB 3.29Å; E146-A150 WeakPolarHBondContact O-CB 3.4Å; E146-A150 PolarHBondContact O-N 2.93Å
147L82Confident78.2Confident7 Ų735.7 Ų35.74%0.03720%0.2CC..Hα-helixtrans-64.6-36.7173.1-72.4171000112.4L23 L45 C143 C144 T145 A151 L162 V163 A166L23-L147 HydrophobicContact CD1-CG 4.3Å; L23-L147 HydrophobicContact CD2-CD2 3.96Å; L45-L147 HydrophobicContact CD2-CD1 4.22Å; C143-L147 VanDerWaalsContact O-CG 3.29Å; C143-L147 WeakPolarHBondContact O-CG 3.41Å; C143-L147 PolarHBondContact O-N 3.38Å; C144-L147 PolarHBondContact O-N 3.42Å; T145-L147 VanDerWaalsContact C-N 3.31Å; T145-L147 PolarHBondContact O-N 3.49Å; L147-A151 PolarHBondContact O-N 2.93Å; L147-L162 HydrophobicContact CD2-CD2 3.81Å; L147-L162 HydrophobicContact CD2-CG 3.99Å; L147-V163 HydrophobicContact CD2-CG2 4.37Å; L147-A166 HydrophobicContact CB-CB 4.26Å; L147-A166 HydrophobicContact CD1-CB 4.08Å
148I82.7Confident77.6Confident1 Ų136.7 Ų36.71%0.00520%0.203CC..Hα-helixtrans-69.1-44.8174.3-66.7173.7000110.7C144 T145 E146 A150 A151 Y152 F170 F214 W217 T218 A221C144-I148 WeakPolarHBondContact O-CG1 3.36Å; C144-I148 PolarHBondContact O-N 3.07Å; T145-I148 PolarHBondContact O-N 3.2Å; T145-I148 VanDerWaalsContact O-N 3.14Å; E146-I148 VanDerWaalsContact C-N 3.34Å; E146-I148 PolarHBondContact O-N 3.31Å; I148-A150 VanDerWaalsContact C-N 3.33Å; I148-A150 PolarHBondContact O-N 2.81Å; I148-A151 WeakPolarHBondContact O-CB 3.39Å; I148-A151 PolarHBondContact O-N 2.94Å; I148-A151 VanDerWaalsContact O-N 3.09Å; I148-Y152 PolarHBondContact O-N 3.4Å; I148-F170 HydrophobicContact CD1-CD2 3.99Å; I148-F170 HydrophobicContact CD1-CE2 4.09Å; I148-F170 HydrophobicContact CG1-CD2 3.78Å; I148-F170 HydrophobicContact CG1-CE2 3.67Å; I148-F214 HydrophobicContact CD1-CD2 3.85Å; I148-F214 HydrophobicContact CD1-CE2 3.25Å; I148-F214 HydrophobicContact CD1-CZ 3.81Å; I148-F214 HydrophobicContact CG1-CE2 4.35Å; I148-W217 HydrophobicContact CG2-CB 4.15Å; I148-T218 HydrophobicContact CD1-CG2 3.48Å; I148-T218 VanDerWaalsContact CD1-CG2 3.48Å; I148-A221 HydrophobicContact CG2-CB 3.78Å
149K81.3Confident77.2Confident8 Ų836.8 Ų36.84%0.03520%0.204CC..Hα-helixtrans-59.5-44.3176-69.7178.8-172.9166.50111.8T145 E146 A151 Y152 F153 W217 D379T145-K149 WeakPolarHBondContact O-CG 3.27Å; T145-K149 PolarHBondContact O-N 2.89Å; E146-K149 PolarHBondContact O-N 3.4Å; E146-K149 IonicContact OE1-NZ 3.53Å; E146-K149 PolarHBondContact OE1-NZ 2.74Å; K149-A151 PolarHBondContact O-N 2.93Å; K149-Y152 PolarHBondContact O-N 3.3Å; K149-F153 HydrophobicContact CB-CD2 4.35Å; K149-F153 HydrophobicContact CB-CE2 4.42Å; K149-F153 WeakPolarHBondContact O-CD2 3.4Å; K149-F153 PolarHBondContact O-N 3.28Å; K149-W217 HydrophobicContact CD-CZ2 4.09Å; K149-W217 VanDerWaalsContact CE-NE1 3.3Å; K149-W217 HydrophobicContact CG-CD2 3.94Å; K149-W217 HydrophobicContact CG-CE3 4.15Å; K149-W217 HydrophobicContact CG-CH2 4.03Å; K149-W217 HydrophobicContact CG-CZ2 3.81Å; K149-W217 HydrophobicContact CG-CZ3 4.19Å; K149-D379 WeakPolarHBondContact CE-OD2 3.27Å; K149-D379 VanDerWaalsContact NZ-CG 3.31Å; K149-D379 IonicContact NZ-OD1 3.82Å; K149-D379 IonicContact NZ-OD2 3.96Å; K149-D379 PolarHBondContact NZ-OD2 3.38Å
150A78.8Confident76.8Confident21 Ų2139.7 Ų39.717%0.17422%0.22CC..Hα-helixtrans-59.6-32.6176.200000112.3E146 I148 G154 L159 V163E146-A150 VanDerWaalsContact O-CB 3.29Å; E146-A150 WeakPolarHBondContact O-CB 3.4Å; E146-A150 PolarHBondContact O-N 2.93Å; I148-A150 VanDerWaalsContact C-N 3.33Å; I148-A150 PolarHBondContact O-N 2.81Å; A150-G154 PolarHBondContact O-N 3.37Å; A150-L159 HydrophobicContact CB-CD1 4.37Å; A150-V163 HydrophobicContact CB-CG2 3.89Å
151A76Confident76.4Confident42 Ų4245.8 Ų45.835%0.34725%0.248SC..Hα-helixtrans-66.1-37.3172.600000113L147 I148 K149 V163 C167L147-A151 PolarHBondContact O-N 2.93Å; I148-A151 WeakPolarHBondContact O-CB 3.39Å; I148-A151 PolarHBondContact O-N 2.94Å; I148-A151 VanDerWaalsContact O-N 3.09Å; K149-A151 PolarHBondContact O-N 2.93Å; A151-V163 VanDerWaalsContact CA-CG1 3.48Å; A151-V163 HydrophobicContact CB-CG1 3.39Å; A151-C167 VanDerWaalsContact CB-SG 3.56Å
152Y73.6Confident75.9Confident129 Ų12945.9 Ų45.951%0.50625%0.248SC..Hα-helixtrans-77.4-46.9-176.1-173.1-97000112.7I148 K149 W217 H220I148-Y152 PolarHBondContact O-N 3.4Å; K149-Y152 PolarHBondContact O-N 3.3Å; Y152-W217 HydrophobicContact CD1-CZ3 4.43Å; Y152-W217 HydrophobicContact CG-CZ3 4.48Å; Y152-H220 AromaticContact CE2-NE2 3.8Å; Y152-H220 AromaticContact CZ-NE2 3.63Å
153F71.8Confident75.6Confident97 Ų9746 Ų4643%0.42525%0.25SC..Hα-helixtrans-80.3-21.4-175.8-68.7-69.9000114.2K149 D155 W217 D381K149-F153 HydrophobicContact CB-CD2 4.35Å; K149-F153 HydrophobicContact CB-CE2 4.42Å; K149-F153 WeakPolarHBondContact O-CD2 3.4Å; K149-F153 PolarHBondContact O-N 3.28Å; F153-D155 PolarHBondContact O-N 3.43Å; F153-D155 VanDerWaalsContact O-N 3.08Å; F153-W217 HydrophobicContact CE2-CH2 4.06Å; F153-W217 HydrophobicContact CZ-CH2 4.28Å; F153-D381 HydrophobicContact CE2-CB 3.94Å; F153-D381 HydrophobicContact CZ-CB 3.87Å
154G63.2Low75.3Confident57 Ų5751.8 Ų51.859%0.58827%0.272SS*.  trans66.67.1175.500000116.1A150 R156A150-G154 PolarHBondContact O-N 3.37Å; G154-R156 PolarHBondContact O-N 2.91Å
155D62.4Low74.8Confident150 Ų15053.1 Ų53.180%0.80228%0.281SS*.  trans-83.6-12.3-166.1-139.810.1000113.9F153F153-D155 PolarHBondContact O-N 3.43Å; F153-D155 VanDerWaalsContact O-N 3.08Å
156R69.4Low74.4Confident63 Ų6353 Ų5324%0.23828%0.28CS..  trans-116.176.5-171.2-61.5-178.2-176.3-132.2-2.5112.7L23 S24 S25 G154 W158 L159L23-R156 PolarHBondContact O-NH1 2.81Å; S24-R156 PolarHBondContact O-NH2 2.95Å; S25-R156 PolarHBondContact O-NH1 3.22Å; G154-R156 PolarHBondContact O-N 2.91Å; R156-W158 PolarHBondContact O-N 3.42Å; R156-L159 HydrophobicContact CB-CB 4.37Å; R156-L159 HydrophobicContact CB-CD1 3.96Å; R156-L159 HydrophobicContact CB-CG 4.38Å; R156-L159 HydrophobicContact CG-CD1 4.48Å; R156-L159 PolarHBondContact O-N 3.47Å
157S68.9Low74.2Confident96 Ų9652.2 Ų52.267%0.67128%0.28SS*.THydrogen-bonded Turntrans-51.8-27.7-177.463.20000115.4L159 D160S157-L159 VanDerWaalsContact C-N 3.33Å; S157-L159 PolarHBondContact O-N 3.34Å; S157-D160 WeakPolarHBondContact O-CB 3.31Å
158W71.5Confident73.9Confident24 Ų2456.9 Ų56.99%0.09130%0.301CS..THydrogen-bonded Turntrans-75.6-17.9179.170.7-93.6000114.4E28 P29 K34 F37 R156E28-W158 HydrophobicContact CG-CB 4.37Å; E28-W158 HydrophobicContact CG-CD2 4.36Å; E28-W158 HydrophobicContact CG-CG 4.02Å; E28-W158 WeakPolarHBondContact OE1-CB 3.45Å; P29-W158 HydrophobicContact CG-CE3 4.4Å; P29-W158 HydrophobicContact CG-CH2 3.87Å; P29-W158 HydrophobicContact CG-CZ2 4.38Å; P29-W158 HydrophobicContact CG-CZ3 3.87Å; K34-W158 HydrophobicContact CG-CE3 4.41Å; F37-W158 HydrophobicContact CD1-CH2 4.42Å; F37-W158 AromaticContact CD1-CZ3 3.86Å; F37-W158 HydrophobicContact CD1-CZ3 3.86Å; F37-W158 HydrophobicContact CE1-CH2 4.09Å; F37-W158 AromaticContact CE1-CZ3 3.84Å; F37-W158 HydrophobicContact CE1-CZ3 3.84Å; R156-W158 PolarHBondContact O-N 3.42Å
159L74.7Confident73.5Confident3 Ų358.7 Ų58.72%0.01631%0.308CS..THydrogen-bonded Turntrans-92.5-11.2177.8-73.2174.1000113.3L23 F37 A150 R156 S157 H161 L162 V163L23-L159 HydrophobicContact CD2-CD1 4.23Å; L23-L159 HydrophobicContact CD2-CD2 4Å; F37-L159 HydrophobicContact CE1-CD2 3.85Å; A150-L159 HydrophobicContact CB-CD1 4.37Å; R156-L159 HydrophobicContact CB-CB 4.37Å; R156-L159 HydrophobicContact CB-CD1 3.96Å; R156-L159 HydrophobicContact CB-CG 4.38Å; R156-L159 HydrophobicContact CG-CD1 4.48Å; R156-L159 PolarHBondContact O-N 3.47Å; S157-L159 VanDerWaalsContact C-N 3.33Å; S157-L159 PolarHBondContact O-N 3.34Å; L159-H161 VanDerWaalsContact C-N 3.27Å; L159-H161 PolarHBondContact O-N 3.32Å; L159-L162 HydrophobicContact CD2-CD2 4.24Å; L159-L162 WeakPolarHBondContact O-CA 3.38Å; L159-L162 PolarHBondContact O-N 3.34Å; L159-V163 HydrophobicContact CB-CG2 3.9Å; L159-V163 WeakPolarHBondContact O-CG2 3.4Å; L159-V163 PolarHBondContact O-N 2.79Å
160D73.1Confident73.4Confident63 Ų6358.4 Ų58.434%0.33731%0.307SS..Hα-helixtrans-40.6-47.5-177.1-91.624.5000115.1S157 R164S157-D160 WeakPolarHBondContact O-CB 3.31Å; D160-R164 WeakPolarHBondContact O-CB 3.13Å; D160-R164 VanDerWaalsContact O-CG 3.25Å; D160-R164 WeakPolarHBondContact O-CG 3.37Å; D160-R164 PolarHBondContact O-N 3.4Å; D160-R164 IonicContact OD2-CZ 3.8Å; D160-R164 IonicContact OD2-NH2 3.87Å; D160-R164 PolarHBondContact OD2-NH2 3.3Å
161H73.1Confident72.9Confident137 Ų13759.8 Ų59.863%0.63432%0.318SS*.Hα-helixtrans-68.3-41.9-179.6-76.7-68.7000112.7L159 S165L159-H161 VanDerWaalsContact C-N 3.27Å; L159-H161 PolarHBondContact O-N 3.32Å; H161-S165 PolarHBondContact O-N 2.87Å; H161-S165 PolarHBondContact O-OG 2.95Å; H161-S165 VanDerWaalsContact O-OG 3.07Å
162L75.3Confident72.4Confident3 Ų366.4 Ų66.42%0.01633%0.334CS..Hα-helixtrans-70.6-42.3179.6-176.465000110.7F37 L147 L159 S165 A166F37-L162 HydrophobicContact CD1-CD2 4.42Å; F37-L162 HydrophobicContact CE1-CD2 3.74Å; F37-L162 HydrophobicContact CZ-CD2 4.48Å; L147-L162 HydrophobicContact CD2-CD2 3.81Å; L147-L162 HydrophobicContact CD2-CG 3.99Å; L159-L162 HydrophobicContact CD2-CD2 4.24Å; L159-L162 WeakPolarHBondContact O-CA 3.38Å; L159-L162 PolarHBondContact O-N 3.34Å; L162-S165 WeakPolarHBondContact CA-OG 3.3Å; L162-S165 PolarHBondContact O-N 3.47Å; L162-S165 PolarHBondContact O-OG 3.33Å; L162-A166 WeakPolarHBondContact O-CB 3.46Å; L162-A166 PolarHBondContact O-N 3.24Å
163V77.4Confident71.9Confident14 Ų1464.2 Ų64.29%0.08533%0.331CS..Hα-helixtrans-61.1-48.4177.5169.30000111.2L147 A150 A151 L159 S165 A166 C167L147-V163 HydrophobicContact CD2-CG2 4.37Å; A150-V163 HydrophobicContact CB-CG2 3.89Å; A151-V163 VanDerWaalsContact CA-CG1 3.48Å; A151-V163 HydrophobicContact CB-CG1 3.39Å; L159-V163 HydrophobicContact CB-CG2 3.9Å; L159-V163 WeakPolarHBondContact O-CG2 3.4Å; L159-V163 PolarHBondContact O-N 2.79Å; V163-S165 VanDerWaalsContact C-N 3.33Å; V163-S165 PolarHBondContact O-N 2.98Å; V163-A166 PolarHBondContact O-N 3.43Å; V163-A166 VanDerWaalsContact O-N 3.13Å; V163-C167 PolarHBondContact O-N 3.26Å; V163-C167 PolarHBondContact O-SG 3.43Å; V163-C167 VanDerWaalsContact O-SG 3.36Å
164R76.1Confident71.8Confident123 Ų12366.6 Ų66.646%0.46434%0.342SS..Hα-helixtrans-57.6-46.1175.2-72.7179.8-151109.84.1111.7D160 A166 C167 E168D160-R164 WeakPolarHBondContact O-CB 3.13Å; D160-R164 VanDerWaalsContact O-CG 3.25Å; D160-R164 WeakPolarHBondContact O-CG 3.37Å; D160-R164 PolarHBondContact O-N 3.4Å; D160-R164 IonicContact OD2-CZ 3.8Å; D160-R164 IonicContact OD2-NH2 3.87Å; D160-R164 PolarHBondContact OD2-NH2 3.3Å; R164-A166 VanDerWaalsContact C-N 3.33Å; R164-A166 PolarHBondContact O-N 3.25Å; R164-C167 PolarHBondContact O-N 3.29Å; R164-E168 WeakPolarHBondContact O-CG 3.26Å; R164-E168 PolarHBondContact O-N 2.91Å
165S74.9Confident72.5Confident30 Ų3064 Ų6421%0.2131%0.314CS..Hα-helixtrans-64-37.1176.649.90000113.1H161 L162 V163 Y169H161-S165 PolarHBondContact O-N 2.87Å; H161-S165 PolarHBondContact O-OG 2.95Å; H161-S165 VanDerWaalsContact O-OG 3.07Å; L162-S165 WeakPolarHBondContact CA-OG 3.3Å; L162-S165 PolarHBondContact O-N 3.47Å; L162-S165 PolarHBondContact O-OG 3.33Å; V163-S165 VanDerWaalsContact C-N 3.33Å; V163-S165 PolarHBondContact O-N 2.98Å; S165-Y169 VanDerWaalsContact O-CB 3.25Å; S165-Y169 WeakPolarHBondContact O-CB 3.21Å; S165-Y169 PolarHBondContact O-N 2.73Å
166A75.9Confident73.1Confident0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-68.7-4517800000111.6L45 L147 L162 V163 R164 E168 Y169 F170L45-A166 HydrophobicContact CD1-CB 3.98Å; L45-A166 HydrophobicContact CD2-CB 4.29Å; L147-A166 HydrophobicContact CB-CB 4.26Å; L147-A166 HydrophobicContact CD1-CB 4.08Å; L162-A166 WeakPolarHBondContact O-CB 3.46Å; L162-A166 PolarHBondContact O-N 3.24Å; V163-A166 PolarHBondContact O-N 3.43Å; V163-A166 VanDerWaalsContact O-N 3.13Å; R164-A166 VanDerWaalsContact C-N 3.33Å; R164-A166 PolarHBondContact O-N 3.25Å; A166-E168 PolarHBondContact O-N 3.14Å; A166-Y169 WeakPolarHBondContact O-CB 3.4Å; A166-Y169 PolarHBondContact O-N 2.81Å; A166-Y169 VanDerWaalsContact O-N 3.15Å; A166-F170 HydrophobicContact CB-CD2 4.41Å; A166-F170 HydrophobicContact CB-CE2 3.8Å; A166-F170 HydrophobicContact CB-CZ 4.17Å; A166-F170 WeakPolarHBondContact O-CD2 3.08Å; A166-F170 WeakPolarHBondContact O-CG 3.43Å; A166-F170 PolarHBondContact O-N 3.36Å
167C76.8Confident73.6Confident29 Ų2956.1 Ų56.120%0.19628%0.277CS..Hα-helixtrans-61.9-43.2176.2-68.20000112.1A151 V163 R164 Y169 A171 F222A151-C167 VanDerWaalsContact CB-SG 3.56Å; V163-C167 PolarHBondContact O-N 3.26Å; V163-C167 PolarHBondContact O-SG 3.43Å; V163-C167 VanDerWaalsContact O-SG 3.36Å; R164-C167 PolarHBondContact O-N 3.29Å; C167-Y169 VanDerWaalsContact C-N 3.29Å; C167-Y169 PolarHBondContact O-N 3.37Å; C167-A171 WeakPolarHBondContact O-CB 3.43Å; C167-A171 PolarHBondContact O-N 3.3Å; C167-F222 HydrophobicContact CB-CE1 4.42Å; C167-F222 HydrophobicContact CB-CZ 4.32Å
168E74.7Confident74.1Confident105 Ų10554.9 Ų54.949%0.49126%0.259SS..Hα-helixtrans-60.8-40.4173.4-75-178-163.900111.7R164 A166 R172R164-E168 WeakPolarHBondContact O-CG 3.26Å; R164-E168 PolarHBondContact O-N 2.91Å; A166-E168 PolarHBondContact O-N 3.14Å; E168-R172 VanDerWaalsContact O-CB 3.26Å; E168-R172 WeakPolarHBondContact O-CB 3.35Å; E168-R172 VanDerWaalsContact O-CG 3.32Å; E168-R172 WeakPolarHBondContact O-CG 3.41Å; E168-R172 PolarHBondContact O-N 3.42Å; E168-R172 IonicContact OE2-NH1 3.06Å
169Y76Confident74.5Confident39 Ų3953.8 Ų53.815%0.15326%0.255CS..Hα-helixtrans-65.2-49.8178.3-171.1-97.7000112.3L45 S49 S165 A166 C167 A171 R172 D173 F175L45-Y169 HydrophobicContact CB-CD1 4.43Å; L45-Y169 HydrophobicContact CD2-CD1 4.49Å; S49-Y169 WeakPolarHBondContact CB-OH 3.4Å; S49-Y169 PolarHBondContact OG-OH 3.32Å; S165-Y169 VanDerWaalsContact O-CB 3.25Å; S165-Y169 WeakPolarHBondContact O-CB 3.21Å; S165-Y169 PolarHBondContact O-N 2.73Å; A166-Y169 WeakPolarHBondContact O-CB 3.4Å; A166-Y169 PolarHBondContact O-N 2.81Å; A166-Y169 VanDerWaalsContact O-N 3.15Å; C167-Y169 VanDerWaalsContact C-N 3.29Å; C167-Y169 PolarHBondContact O-N 3.37Å; Y169-A171 VanDerWaalsContact C-N 3.3Å; Y169-A171 PolarHBondContact O-N 3.38Å; Y169-R172 PolarHBondContact O-N 3.2Å; Y169-D173 HydrophobicContact CD2-CB 4.36Å; Y169-D173 WeakPolarHBondContact CD2-OD2 3.39Å; Y169-D173 HydrophobicContact CE2-CB 4.13Å; Y169-D173 WeakPolarHBondContact CE2-OD2 3.36Å; Y169-D173 PolarHBondContact O-N 3.27Å; Y169-F175 HydrophobicContact CE1-CB 4.33Å; Y169-F175 HydrophobicContact CE1-CD2 4.15Å; Y169-F175 HydrophobicContact CE1-CG 4.37Å
170F77.3Confident74.7Confident2 Ų253.8 Ų53.81%0.00926%0.255CS..Hα-helixtrans-61.9-37.5179.2-59.8-37.6000112.1L45 C144 I148 A166 F175 F214 F222L45-F170 HydrophobicContact CD2-CE1 3.82Å; L45-F170 HydrophobicContact CD2-CZ 3.75Å; C144-F170 HydrophobicContact CB-CE1 4.15Å; C144-F170 HydrophobicContact CB-CZ 3.77Å; I148-F170 HydrophobicContact CD1-CD2 3.99Å; I148-F170 HydrophobicContact CD1-CE2 4.09Å; I148-F170 HydrophobicContact CG1-CD2 3.78Å; I148-F170 HydrophobicContact CG1-CE2 3.67Å; A166-F170 HydrophobicContact CB-CD2 4.41Å; A166-F170 HydrophobicContact CB-CE2 3.8Å; A166-F170 HydrophobicContact CB-CZ 4.17Å; A166-F170 WeakPolarHBondContact O-CD2 3.08Å; A166-F170 WeakPolarHBondContact O-CG 3.43Å; A166-F170 PolarHBondContact O-N 3.36Å; F170-F175 AromaticContact CD1-CD1 3.59Å; F170-F175 HydrophobicContact CD1-CD1 3.59Å; F170-F175 HydrophobicContact CD1-CE1 4.04Å; F170-F175 HydrophobicContact CD1-CG 4.21Å; F170-F175 AromaticContact CE1-CD1 3.92Å; F170-F175 HydrophobicContact CE1-CD1 3.92Å; F170-F175 AromaticContact CE1-CE1 3.89Å; F170-F175 HydrophobicContact CE1-CE1 3.89Å; F170-F214 HydrophobicContact CD1-CZ 4.25Å; F170-F214 HydrophobicContact CE1-CE2 4.42Å; F170-F214 HydrophobicContact CE1-CZ 4.37Å; F170-F214 HydrophobicContact CZ-CE2 4.38Å; F170-F222 HydrophobicContact CB-CE2 4.34Å; F170-F222 HydrophobicContact CB-CZ 4.29Å
171A69.3Low75.1Confident49 Ų4953.6 Ų53.641%0.40526%0.256SS..Hα-helixtrans-75.1-40.5178.100000113.6C167 Y169 F222C167-A171 WeakPolarHBondContact O-CB 3.43Å; C167-A171 PolarHBondContact O-N 3.3Å; Y169-A171 VanDerWaalsContact C-N 3.3Å; Y169-A171 PolarHBondContact O-N 3.38Å; A171-F222 HydrophobicContact CB-CE1 4.48Å
172R66.3Low75.5Confident182 Ų18247.7 Ų47.769%0.68723%0.228SC*.Hα-helixtrans-87-40.4-172.5-70.4-179176.8169.65.7114.6E168 Y169 K174E168-R172 VanDerWaalsContact O-CB 3.26Å; E168-R172 WeakPolarHBondContact O-CB 3.35Å; E168-R172 VanDerWaalsContact O-CG 3.32Å; E168-R172 WeakPolarHBondContact O-CG 3.41Å; E168-R172 PolarHBondContact O-N 3.42Å; E168-R172 IonicContact OE2-NH1 3.06Å; Y169-R172 PolarHBondContact O-N 3.2Å; R172-K174 PolarHBondContact O-N 3.41Å
173D61.5Low75.8Confident82 Ų8247.7 Ų47.744%0.43923%0.228SC..SBendtrans-9620.6-160-76.3-21.8000115.5Y169 F175Y169-D173 HydrophobicContact CD2-CB 4.36Å; Y169-D173 WeakPolarHBondContact CD2-OD2 3.39Å; Y169-D173 HydrophobicContact CE2-CB 4.13Å; Y169-D173 WeakPolarHBondContact CE2-OD2 3.36Å; Y169-D173 PolarHBondContact O-N 3.27Å; D173-F175 PolarHBondContact O-N 2.82Å
174K71Confident75.8Confident148 Ų14852.3 Ų52.364%0.64325%0.249SC*.  trans52.123.9-177.9-59.3-176.3-175.4-178.60113.2R172 T176 L177 K178R172-K174 PolarHBondContact O-N 3.41Å; K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.98Å; K174-L177 HydrophobicContact CB-CB 4.32Å; K174-L177 HydrophobicContact CB-CD1 4.14Å; K174-L177 HydrophobicContact CD-CD1 4.21Å; K174-L177 HydrophobicContact CG-CD1 4.14Å; K174-L177 WeakPolarHBondContact O-CB 3.45Å; K174-L177 PolarHBondContact O-N 3.28Å; K174-K178 PolarHBondContact O-N 2.85Å
175F76.8Confident75.8Confident2 Ų249.1 Ų49.11%0.00924%0.239CC..Hα-helixtrans-57.4-43.5-179177.9-102.8000111.4S48 F52 Y169 F170 D173 L177 K178 L179 F214S48-F175 VanDerWaalsContact OG-CE2 3.3Å; S48-F175 WeakPolarHBondContact OG-CE2 3.34Å; F52-F175 HydrophobicContact CD2-CE2 4.11Å; F52-F175 HydrophobicContact CD2-CZ 4.18Å; Y169-F175 HydrophobicContact CE1-CB 4.33Å; Y169-F175 HydrophobicContact CE1-CD2 4.15Å; Y169-F175 HydrophobicContact CE1-CG 4.37Å; F170-F175 AromaticContact CD1-CD1 3.59Å; F170-F175 HydrophobicContact CD1-CD1 3.59Å; F170-F175 HydrophobicContact CD1-CE1 4.04Å; F170-F175 HydrophobicContact CD1-CG 4.21Å; F170-F175 AromaticContact CE1-CD1 3.92Å; F170-F175 HydrophobicContact CE1-CD1 3.92Å; F170-F175 AromaticContact CE1-CE1 3.89Å; F170-F175 HydrophobicContact CE1-CE1 3.89Å; D173-F175 PolarHBondContact O-N 2.82Å; F175-L177 VanDerWaalsContact C-N 3.29Å; F175-L177 PolarHBondContact O-N 3.05Å; F175-K178 WeakPolarHBondContact O-CB 3.37Å; F175-K178 PolarHBondContact O-N 3.09Å; F175-K178 VanDerWaalsContact O-N 3.08Å; F175-L179 HydrophobicContact CD1-CD1 3.89Å; F175-L179 HydrophobicContact CD1-CG 4.42Å; F175-L179 HydrophobicContact CE1-CD1 3.24Å; F175-L179 HydrophobicContact CE1-CG 3.95Å; F175-L179 HydrophobicContact CE2-CG 4.46Å; F175-L179 HydrophobicContact CZ-CD1 3.63Å; F175-L179 HydrophobicContact CZ-CD2 4.35Å; F175-L179 HydrophobicContact CZ-CG 3.96Å; F175-L179 PolarHBondContact O-N 2.87Å; F175-F214 HydrophobicContact CD1-CE1 4.15Å; F175-F214 AromaticContact CD1-CZ 3.85Å; F175-F214 HydrophobicContact CD1-CZ 3.85Å; F175-F214 AromaticContact CE1-CE1 3.94Å; F175-F214 HydrophobicContact CE1-CE1 3.94Å; F175-F214 HydrophobicContact CE1-CE2 4.25Å; F175-F214 AromaticContact CE1-CZ 3.6Å; F175-F214 HydrophobicContact CE1-CZ 3.6Å
176T76.3Confident75.8Confident3 Ų348.6 Ų48.62%0.01823%0.233CC..Hα-helixtrans-56.1-42.7174.5-450000111.7K174 L179 V180 L215K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.98Å; T176-L179 PolarHBondContact O-N 2.74Å; T176-V180 WeakPolarHBondContact O-CB 3.36Å; T176-V180 WeakPolarHBondContact O-CG2 3.44Å; T176-V180 PolarHBondContact O-N 3.03Å; T176-L215 HydrophobicContact CG2-CD2 3.64Å
177L78.1Confident75.6Confident45 Ų4551.7 Ų51.724%0.23625%0.245CC..Hα-helixtrans-67.8-37.2177-64.5175.9000112.3K174 F175 V180 T181 P231K174-L177 HydrophobicContact CB-CB 4.32Å; K174-L177 HydrophobicContact CB-CD1 4.14Å; K174-L177 HydrophobicContact CD-CD1 4.21Å; K174-L177 HydrophobicContact CG-CD1 4.14Å; K174-L177 WeakPolarHBondContact O-CB 3.45Å; K174-L177 PolarHBondContact O-N 3.28Å; F175-L177 VanDerWaalsContact C-N 3.29Å; F175-L177 PolarHBondContact O-N 3.05Å; L177-V180 PolarHBondContact O-N 3.17Å; L177-T181 WeakPolarHBondContact O-CG2 3.49Å; L177-T181 PolarHBondContact O-N 2.95Å; L177-T181 PolarHBondContact O-OG1 2.85Å; L177-P231 HydrophobicContact CD2-CB 3.89Å; L177-P231 HydrophobicContact CD2-CG 3.72Å
178K79.4Confident75Confident69 Ų6952.5 Ų52.530%0.326%0.258SS..Hα-helixtrans-62.3-43.8173.9-67179.4179.81790111.4K174 F175 T181 Y182K174-K178 PolarHBondContact O-N 2.85Å; F175-K178 WeakPolarHBondContact O-CB 3.37Å; F175-K178 PolarHBondContact O-N 3.09Å; F175-K178 VanDerWaalsContact O-N 3.08Å; K178-T181 WeakPolarHBondContact CA-OG1 3.47Å; K178-T181 PolarHBondContact O-N 3.42Å; K178-T181 PolarHBondContact O-OG1 2.85Å; K178-Y182 WeakPolarHBondContact O-CB 3.26Å; K178-Y182 PolarHBondContact O-N 3.47Å
179L80.5Confident74.4Confident1 Ų150.9 Ų50.91%0.00525%0.253CS..Hα-helixtrans-64.5-39.3175.9-78.9179.4000112.6F52 F175 T176 Y182 Y183 I211 F214F52-L179 HydrophobicContact CB-CD2 3.99Å; F52-L179 HydrophobicContact CD1-CD2 4.08Å; F52-L179 HydrophobicContact CD2-CD2 3.53Å; F52-L179 HydrophobicContact CE2-CD2 4.04Å; F52-L179 HydrophobicContact CG-CD2 3.59Å; F52-L179 HydrophobicContact CZ-CD2 4.5Å; F175-L179 HydrophobicContact CD1-CD1 3.89Å; F175-L179 HydrophobicContact CD1-CG 4.42Å; F175-L179 HydrophobicContact CE1-CD1 3.24Å; F175-L179 HydrophobicContact CE1-CG 3.95Å; F175-L179 HydrophobicContact CE2-CG 4.46Å; F175-L179 HydrophobicContact CZ-CD1 3.63Å; F175-L179 HydrophobicContact CZ-CD2 4.35Å; F175-L179 HydrophobicContact CZ-CG 3.96Å; F175-L179 PolarHBondContact O-N 2.87Å; T176-L179 PolarHBondContact O-N 2.74Å; L179-Y182 PolarHBondContact O-N 2.98Å; L179-Y183 WeakPolarHBondContact O-CB 3.45Å; L179-Y183 PolarHBondContact O-N 3.13Å; L179-I211 HydrophobicContact CB-CG2 4.47Å; L179-F214 HydrophobicContact CD1-CD1 3.42Å; L179-F214 VanDerWaalsContact CD1-CD1 3.42Å; L179-F214 HydrophobicContact CD1-CE1 3.35Å; L179-F214 HydrophobicContact CD1-CG 4.25Å; L179-F214 HydrophobicContact CD1-CZ 4.13Å
180V80.1Confident73.7Confident4 Ų455.4 Ų55.42%0.02428%0.276CS..Hα-helixtrans-59.3-47173164.90000110.6T176 L177 Y182 Y183 E184 L215 T232 L235T176-V180 WeakPolarHBondContact O-CB 3.36Å; T176-V180 WeakPolarHBondContact O-CG2 3.44Å; T176-V180 PolarHBondContact O-N 3.03Å; L177-V180 PolarHBondContact O-N 3.17Å; V180-Y182 VanDerWaalsContact C-N 3.32Å; V180-Y182 PolarHBondContact O-N 3.42Å; V180-Y183 WeakPolarHBondContact O-CB 3.24Å; V180-Y183 PolarHBondContact O-N 3.24Å; V180-E184 PolarHBondContact O-N 3.34Å; V180-E184 VanDerWaalsContact O-N 3.11Å; V180-L215 HydrophobicContact CG2-CD1 4.26Å; V180-L215 HydrophobicContact CG2-CD2 3.98Å; V180-T232 HydrophobicContact CG2-CG2 4.15Å; V180-L235 HydrophobicContact CB-CD1 4.3Å; V180-L235 HydrophobicContact CG1-CD1 3.49Å; V180-L235 VanDerWaalsContact CG1-CD1 3.49Å; V180-L235 HydrophobicContact CG1-CD2 4.03Å; V180-L235 HydrophobicContact CG1-CG 3.79Å
181T80Confident73.1Confident59 Ų5956.6 Ų56.636%0.36228%0.283SS..Hα-helixtrans-65.7-34.4175.651.70000113L177 K178 E184 F185L177-T181 WeakPolarHBondContact O-CG2 3.49Å; L177-T181 PolarHBondContact O-N 2.95Å; L177-T181 PolarHBondContact O-OG1 2.85Å; K178-T181 WeakPolarHBondContact CA-OG1 3.47Å; K178-T181 PolarHBondContact O-N 3.42Å; K178-T181 PolarHBondContact O-OG1 2.85Å; T181-E184 WeakPolarHBondContact O-CB 3.33Å; T181-E184 PolarHBondContact O-N 3.35Å; T181-F185 PolarHBondContact O-N 2.94Å; T181-F185 VanDerWaalsContact O-N 3.12Å
182Y82Confident73.1Confident12 Ų1258.8 Ų58.85%0.04729%0.285CS..Hα-helixtrans-70.2-37.1176.4-171.9-108.7000112F52 K134 Q137 K178 L179 V180 E184 F185 L186 L207 I211F52-Y182 HydrophobicContact CB-CG 4.49Å; F52-Y182 AromaticContact CD1-CD1 3.65Å; F52-Y182 HydrophobicContact CD1-CD1 3.65Å; F52-Y182 AromaticContact CD1-CE1 3.7Å; F52-Y182 HydrophobicContact CD1-CE1 3.7Å; F52-Y182 HydrophobicContact CD1-CG 4.11Å; F52-Y182 HydrophobicContact CE1-CD1 4.24Å; F52-Y182 AromaticContact CE1-CE1 3.96Å; F52-Y182 HydrophobicContact CE1-CE1 3.96Å; K134-Y182 PolarHBondContact NZ-OH 3.43Å; Q137-Y182 PolarHBondContact NE2-OH 3.19Å; Q137-Y182 PolarHBondContact OE1-OH 3.27Å; Q137-Y182 VanDerWaalsContact OE1-OH 3.07Å; K178-Y182 WeakPolarHBondContact O-CB 3.26Å; K178-Y182 PolarHBondContact O-N 3.47Å; L179-Y182 PolarHBondContact O-N 2.98Å; V180-Y182 VanDerWaalsContact C-N 3.32Å; V180-Y182 PolarHBondContact O-N 3.42Å; Y182-E184 VanDerWaalsContact C-N 3.35Å; Y182-F185 HydrophobicContact CD2-CD1 4.29Å; Y182-F185 HydrophobicContact CE2-CD1 4.1Å; Y182-F185 HydrophobicContact CE2-CE1 4.26Å; Y182-F185 WeakPolarHBondContact O-CB 3.32Å; Y182-F185 PolarHBondContact O-N 3.39Å; Y182-L186 HydrophobicContact CD1-CD1 3.86Å; Y182-L186 HydrophobicContact CD1-CG 4.16Å; Y182-L186 HydrophobicContact CE1-CD1 3.55Å; Y182-L186 HydrophobicContact CE1-CD2 4.08Å; Y182-L186 HydrophobicContact CE1-CG 3.83Å; Y182-L186 WeakPolarHBondContact O-CG 3.35Å; Y182-L186 PolarHBondContact O-N 2.95Å; Y182-L207 HydrophobicContact CE1-CD2 4.04Å; Y182-I211 HydrophobicContact CD1-CD1 3.89Å; Y182-I211 HydrophobicContact CE1-CD1 4.32Å
183Y81.2Confident73.1Confident3 Ų360.5 Ų60.51%0.01229%0.291CS..Hα-helixtrans-60.8-43.8172.2-176.8-95.7000111.6L179 V180 F185 L186 R187 Q208 I211 L212 L235 E267L179-Y183 WeakPolarHBondContact O-CB 3.45Å; L179-Y183 PolarHBondContact O-N 3.13Å; V180-Y183 WeakPolarHBondContact O-CB 3.24Å; V180-Y183 PolarHBondContact O-N 3.24Å; Y183-F185 VanDerWaalsContact C-N 3.29Å; Y183-F185 PolarHBondContact O-N 3.34Å; Y183-L186 PolarHBondContact O-N 3.33Å; Y183-R187 WeakPolarHBondContact O-CB 3.45Å; Y183-R187 PolarHBondContact O-N 3.39Å; Y183-Q208 HydrophobicContact CD2-CB 4.41Å; Y183-Q208 HydrophobicContact CD2-CG 4.34Å; Y183-Q208 HydrophobicContact CE2-CB 3.85Å; Y183-Q208 HydrophobicContact CE2-CG 4.02Å; Y183-I211 HydrophobicContact CD2-CB 4.39Å; Y183-I211 HydrophobicContact CD2-CG2 4.16Å; Y183-L212 HydrophobicContact CE2-CD1 4.19Å; Y183-L212 HydrophobicContact CE2-CD2 4.03Å; Y183-L212 HydrophobicContact CE2-CG 3.85Å; Y183-L235 HydrophobicContact CD1-CD1 3.96Å; Y183-E267 PolarHBondContact OH-OE1 3.29Å
184E77.1Confident73.3Confident112 Ų11259.4 Ų59.452%0.52328%0.283SS..Hα-helixtrans-55.5-46.8173.9-157.9179.4165.700111.7V180 T181 Y182 R187 G188 L235V180-E184 PolarHBondContact O-N 3.34Å; V180-E184 VanDerWaalsContact O-N 3.11Å; T181-E184 WeakPolarHBondContact O-CB 3.33Å; T181-E184 PolarHBondContact O-N 3.35Å; Y182-E184 VanDerWaalsContact C-N 3.35Å; E184-R187 PolarHBondContact O-N 3.34Å; E184-G188 PolarHBondContact O-N 3.35Å; E184-L235 HydrophobicContact CB-CD2 3.49Å; E184-L235 VanDerWaalsContact CB-CD2 3.49Å; E184-L235 HydrophobicContact CG-CD2 3.65Å
185F76Confident73.2Confident55 Ų5552.8 Ų52.824%0.24126%0.255CS..Hα-helixtrans-61.1-46.7177.3168-84.7000112.3Q87 T181 Y182 Y183 R187 G188 N189Q87-F185 HydrophobicContact CB-CZ 4.37Å; T181-F185 PolarHBondContact O-N 2.94Å; T181-F185 VanDerWaalsContact O-N 3.12Å; Y182-F185 HydrophobicContact CD2-CD1 4.29Å; Y182-F185 HydrophobicContact CE2-CD1 4.1Å; Y182-F185 HydrophobicContact CE2-CE1 4.26Å; Y182-F185 WeakPolarHBondContact O-CB 3.32Å; Y182-F185 PolarHBondContact O-N 3.39Å; Y183-F185 VanDerWaalsContact C-N 3.29Å; Y183-F185 PolarHBondContact O-N 3.34Å; F185-R187 PolarHBondContact O-N 2.94Å; F185-G188 PolarHBondContact O-N 3.17Å; F185-N189 WeakPolarHBondContact CD2-ND2 3.41Å; F185-N189 WeakPolarHBondContact CE2-ND2 3.34Å; F185-N189 WeakPolarHBondContact CZ-ND2 3.31Å; F185-N189 VanDerWaalsContact O-CB 3.32Å; F185-N189 WeakPolarHBondContact O-CB 3.49Å; F185-N189 PolarHBondContact O-N 3.35Å
186L76.2Confident72.9Confident19 Ų1955.4 Ų55.410%0.09927%0.269CS..Hα-helixtrans-63.4-31.6178.5-71.6177.1000112.4Y182 Y183 L207 Q208 I211Y182-L186 HydrophobicContact CD1-CD1 3.86Å; Y182-L186 HydrophobicContact CD1-CG 4.16Å; Y182-L186 HydrophobicContact CE1-CD1 3.55Å; Y182-L186 HydrophobicContact CE1-CD2 4.08Å; Y182-L186 HydrophobicContact CE1-CG 3.83Å; Y182-L186 WeakPolarHBondContact O-CG 3.35Å; Y182-L186 PolarHBondContact O-N 2.95Å; Y183-L186 PolarHBondContact O-N 3.33Å; L186-L207 HydrophobicContact CD1-CD2 3.75Å; L186-L207 HydrophobicContact CD1-CG 3.87Å; L186-L207 HydrophobicContact CD2-CD2 4.27Å; L186-Q208 HydrophobicContact CB-CG 4.25Å; L186-Q208 HydrophobicContact CD1-CG 4.32Å; L186-Q208 PolarHBondContact O-NE2 2.91Å; L186-I211 HydrophobicContact CD1-CD1 3.75Å
187R71.2Confident72.6Confident66 Ų6656.9 Ų56.925%0.24928%0.279CS..Hα-helixtrans-77.2-36.8177-174.3173.3167.9-128.7-10.7112.1Y183 E184 F185 L235 D238 G239Y183-R187 WeakPolarHBondContact O-CB 3.45Å; Y183-R187 PolarHBondContact O-N 3.39Å; E184-R187 PolarHBondContact O-N 3.34Å; F185-R187 PolarHBondContact O-N 2.94Å; R187-L235 PolarHBondContact NH1-O 2.76Å; R187-D238 PolarHBondContact NH2-O 2.87Å; R187-D238 VanDerWaalsContact NH2-O 3.14Å; R187-G239 PolarHBondContact NH2-O 3.37Å
188G63Low72.2Confident46 Ų4658 Ų5847%0.47429%0.285SS..Hα-helixtrans-82.8-33.9-177.300000115E184 F185E184-G188 PolarHBondContact O-N 3.35Å; F185-G188 PolarHBondContact O-N 3.17Å
189N63.4Low71.8Confident71 Ų7158.8 Ų58.838%0.3829%0.29SS..PPolyproline II helixtrans-83.4129.8-170.8-87.8-4.9000114Q87 F185 V191Q87-N189 PolarHBondContact OE1-ND2 3.39Å; F185-N189 WeakPolarHBondContact CD2-ND2 3.41Å; F185-N189 WeakPolarHBondContact CE2-ND2 3.34Å; F185-N189 WeakPolarHBondContact CZ-ND2 3.31Å; F185-N189 VanDerWaalsContact O-CB 3.32Å; F185-N189 WeakPolarHBondContact O-CB 3.49Å; F185-N189 PolarHBondContact O-N 3.35Å; N189-V191 PolarHBondContact O-N 3.11Å
190Q61.4Low71.5Confident134 Ų13459 Ų5963%0.62629%0.291SS*.PPolyproline II helixtrans-71.4122.5164.2-66.7-175.8-2.900108.5H192Q190-H192 PolarHBondContact O-N 3.5Å
191V65.2Low71.3Confident26 Ų2659.3 Ų59.316%0.15829%0.293CS..PPolyproline II helixtrans-50.1127.5163.6179.20000107.3N189 R193 L195 L196 I200 N204N189-V191 PolarHBondContact O-N 3.11Å; V191-R193 PolarHBondContact O-N 3.32Å; V191-L195 HydrophobicContact CG1-CB 3.86Å; V191-L196 HydrophobicContact CB-CD2 3.89Å; V191-L196 HydrophobicContact CG1-CD2 4.21Å; V191-L196 HydrophobicContact CG1-CG 4.48Å; V191-I200 HydrophobicContact CG1-CG2 3.94Å; V191-I200 HydrophobicContact CG2-CG2 4.3Å; V191-N204 WeakPolarHBondContact CG2-ND2 3.32Å
192H67.8Low71Confident96 Ų9658.4 Ų58.444%0.44429%0.289SS..PPolyproline II helixtrans-53.2137-178-161.3-96.6000109.6L85 Q190 E194 L195 L196L85-H192 HydrophobicContact CD2-CB 4.27Å; L85-H192 WeakPolarHBondContact CD2-ND1 3.4Å; Q190-H192 PolarHBondContact O-N 3.5Å; H192-E194 IonicContact CE1-OE2 3.45Å; H192-E194 IonicContact ND1-OE2 3.52Å; H192-E194 PolarHBondContact O-N 3.25Å; H192-L195 WeakPolarHBondContact O-CA 3.46Å; H192-L195 PolarHBondContact O-N 2.88Å; H192-L196 PolarHBondContact O-N 3.47Å
193R66.8Low70.8Confident217 Ų21758.6 Ų58.682%0.81929%0.291SS*.THydrogen-bonded Turntrans-54.3-29.4-170.4-172.4178.9-179.9-177.20.7113.6V191 L196V191-R193 PolarHBondContact O-N 3.32Å; R193-L196 HydrophobicContact CB-CD1 4.27Å; R193-L196 HydrophobicContact CG-CD1 4.12Å; R193-L196 PolarHBondContact O-N 3.43Å
194E65.5Low70.7Confident60 Ų6059.4 Ų59.428%0.2830%0.295SS..THydrogen-bonded Turntrans-74.2-26.5-179.6-60.2-173142.600112.9R123 R127 H192R123-E194 IonicContact CZ-OE1 3.82Å; R123-E194 IonicContact NH1-OE1 2.75Å; R123-E194 PolarHBondContact NH1-OE1 3.31Å; R123-E194 VanDerWaalsContact NH1-OE1 3.14Å; R123-E194 IonicContact NH2-OE1 3.16Å; R123-E194 PolarHBondContact NH2-OE1 3.47Å; R123-E194 IonicContact NH2-OE2 2.72Å; R127-E194 PolarHBondContact NE-O 2.98Å; R127-E194 PolarHBondContact NH2-O 2.87Å; H192-E194 IonicContact CE1-OE2 3.45Å; H192-E194 IonicContact ND1-OE2 3.52Å; H192-E194 PolarHBondContact O-N 3.25Å
195L68.6Low70.7Confident8 Ų854.7 Ų54.74%0.04227%0.274CS..THydrogen-bonded Turntrans-93.6-4.2175.6-68.4175.3000113.5L85 L86 R127 V191 H192 S197 I200L85-L195 HydrophobicContact CB-CD1 3.92Å; L86-L195 HydrophobicContact CD2-CD1 3.77Å; L86-L195 HydrophobicContact CG-CD1 4.49Å; R127-L195 HydrophobicContact CG-CD2 4.1Å; V191-L195 HydrophobicContact CG1-CB 3.86Å; H192-L195 WeakPolarHBondContact O-CA 3.46Å; H192-L195 PolarHBondContact O-N 2.88Å; L195-S197 PolarHBondContact O-N 2.63Å; L195-I200 HydrophobicContact CB-CD1 4.21Å; L195-I200 WeakPolarHBondContact O-CD1 3.46Å
196L70.2Confident70.8Confident58 Ų5853.1 Ų53.130%0.30427%0.271SS..  trans-61.8112-179.6-76.7168.9000110.6V191 H192 R193 N247V191-L196 HydrophobicContact CB-CD2 3.89Å; V191-L196 HydrophobicContact CG1-CD2 4.21Å; V191-L196 HydrophobicContact CG1-CG 4.48Å; H192-L196 PolarHBondContact O-N 3.47Å; R193-L196 HydrophobicContact CB-CD1 4.27Å; R193-L196 HydrophobicContact CG-CD1 4.12Å; R193-L196 PolarHBondContact O-N 3.43Å; L196-N247 HydrophobicContact CD2-CB 4.08Å
197S71.9Confident71.2Confident34 Ų3452.2 Ų52.224%0.23827%0.266CS..  trans-144.7146.2172.41700000107.4L195 Q199 I200 V201L195-S197 PolarHBondContact O-N 2.63Å; S197-Q199 PolarHBondContact O-N 2.91Å; S197-Q199 VanDerWaalsContact O-N 3.11Å; S197-Q199 PolarHBondContact OG-N 2.84Å; S197-I200 PolarHBondContact O-N 3.32Å; S197-V201 PolarHBondContact O-N 3.4Å; S197-V201 VanDerWaalsContact O-N 3.08Å
198D68.8Low71.8Confident68 Ų6849.7 Ų49.736%0.36426%0.257SS..Hα-helixtrans-53.9-33.6176.1-62.6-22.8000111.5V201 S202 S250 M251D198-V201 PolarHBondContact O-N 3.35Å; D198-S202 WeakPolarHBondContact O-CB 3.49Å; D198-S202 PolarHBondContact O-N 2.83Å; D198-S202 PolarHBondContact O-OG 3.06Å; D198-S250 WeakPolarHBondContact OD1-CB 3.33Å; D198-S250 VanDerWaalsContact OD1-O 3.08Å; D198-S250 PolarHBondContact OD1-OG 3.11Å; D198-M251 HydrophobicContact CB-CG 4.07Å; D198-M251 PolarHBondContact OD1-N 3.17Å
199Q70Confident72.8Confident85 Ų8547.6 Ų47.640%0.39724%0.236SC..Hα-helixtrans-63.3-49.8177.6-63.5178.8-5.800111.5S197 V201 S202 L203S197-Q199 PolarHBondContact O-N 2.91Å; S197-Q199 VanDerWaalsContact O-N 3.11Å; S197-Q199 PolarHBondContact OG-N 2.84Å; Q199-V201 VanDerWaalsContact C-N 3.33Å; Q199-V201 PolarHBondContact O-N 2.79Å; Q199-S202 PolarHBondContact O-N 3.44Å; Q199-S202 PolarHBondContact O-OG 3.35Å; Q199-L203 WeakPolarHBondContact O-CB 3.47Å; Q199-L203 VanDerWaalsContact O-CG 3.31Å; Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 3.39Å
200I76.2Confident73.8Confident6 Ų644.8 Ų44.83%0.03122%0.22CC..Hα-helixtrans-66.8-37.9-179.5-69.8171.1000110.8R127 C131 V191 L195 S197 L203 N204R127-I200 HydrophobicContact CB-CD1 4.46Å; C131-I200 WeakPolarHBondContact SG-CG1 3.45Å; V191-I200 HydrophobicContact CG1-CG2 3.94Å; V191-I200 HydrophobicContact CG2-CG2 4.3Å; L195-I200 HydrophobicContact CB-CD1 4.21Å; L195-I200 WeakPolarHBondContact O-CD1 3.46Å; S197-I200 PolarHBondContact O-N 3.32Å; I200-L203 PolarHBondContact O-N 2.93Å; I200-N204 WeakPolarHBondContact O-CB 3.38Å; I200-N204 VanDerWaalsContact O-CG 3.26Å; I200-N204 PolarHBondContact O-N 3.43Å; I200-N204 PolarHBondContact O-ND2 2.99Å
201V74.6Confident75Confident10 Ų1038.4 Ų38.46%0.06119%0.19CC..Hα-helixtrans-62.6-47.6175.1179.20000110.3S197 D198 Q199 L203 N204 L205 N247 M251S197-V201 PolarHBondContact O-N 3.4Å; S197-V201 VanDerWaalsContact O-N 3.08Å; D198-V201 PolarHBondContact O-N 3.35Å; Q199-V201 VanDerWaalsContact C-N 3.33Å; Q199-V201 PolarHBondContact O-N 2.79Å; V201-L203 VanDerWaalsContact C-N 3.35Å; V201-L203 PolarHBondContact O-N 3.45Å; V201-N204 PolarHBondContact O-N 2.83Å; V201-L205 HydrophobicContact CG1-CD1 4.36Å; V201-L205 WeakPolarHBondContact O-CG 3.3Å; V201-L205 PolarHBondContact O-N 2.97Å; V201-N247 HydrophobicContact CG2-CB 4.48Å; V201-M251 HydrophobicContact CB-SD 4.14Å; V201-M251 HydrophobicContact CG1-CG 4.4Å; V201-M251 HydrophobicContact CG1-SD 3.69Å
202S73.8Confident76.1Confident41 Ų4137.2 Ų37.229%0.28718%0.183SC..Hα-helixtrans-61.1-40.7177.774.70000112.9D198 Q199 L205 A206D198-S202 WeakPolarHBondContact O-CB 3.49Å; D198-S202 PolarHBondContact O-N 2.83Å; D198-S202 PolarHBondContact O-OG 3.06Å; Q199-S202 PolarHBondContact O-N 3.44Å; Q199-S202 PolarHBondContact O-OG 3.35Å; S202-L205 PolarHBondContact O-N 3.49Å; S202-A206 WeakPolarHBondContact O-CB 3.31Å; S202-A206 PolarHBondContact O-N 3.01Å
203L77Confident77Confident16 Ų1632.9 Ų32.98%0.08416%0.163CC..Hα-helixtrans-69.1-36.6177.3-70.9170000112C131 K134 I138 Q199 I200 V201 L205 A206 L207C131-L203 HydrophobicContact CB-CD1 3.82Å; K134-L203 HydrophobicContact CB-CB 4.01Å; K134-L203 HydrophobicContact CB-CD1 4.28Å; I138-L203 HydrophobicContact CD1-CB 4.45Å; I138-L203 HydrophobicContact CD1-CD2 3.84Å; Q199-L203 WeakPolarHBondContact O-CB 3.47Å; Q199-L203 VanDerWaalsContact O-CG 3.31Å; Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 3.39Å; I200-L203 PolarHBondContact O-N 2.93Å; V201-L203 VanDerWaalsContact C-N 3.35Å; V201-L203 PolarHBondContact O-N 3.45Å; L203-L205 VanDerWaalsContact C-N 3.35Å; L203-A206 PolarHBondContact O-N 3.38Å; L203-L207 VanDerWaalsContact O-CB 3.32Å; L203-L207 WeakPolarHBondContact O-CB 3.32Å; L203-L207 PolarHBondContact O-N 3.43Å
204N79.2Confident78Confident19 Ų1922.6 Ų22.610%0.10212%0.124CC..Hα-helixtrans-63.6-41.2173-76.9-32.9000111.7K134 V191 I200 V201 L207 Q208K134-N204 VanDerWaalsContact CD-OD1 3.22Å; K134-N204 WeakPolarHBondContact CD-OD1 3.3Å; K134-N204 WeakPolarHBondContact CE-OD1 3.39Å; V191-N204 WeakPolarHBondContact CG2-ND2 3.32Å; I200-N204 WeakPolarHBondContact O-CB 3.38Å; I200-N204 VanDerWaalsContact O-CG 3.26Å; I200-N204 PolarHBondContact O-N 3.43Å; I200-N204 PolarHBondContact O-ND2 2.99Å; V201-N204 PolarHBondContact O-N 2.83Å; N204-L207 PolarHBondContact O-N 3.19Å; N204-Q208 WeakPolarHBondContact O-CG 3.44Å; N204-Q208 PolarHBondContact O-N 3.43Å
205L78Confident79.1Confident14 Ų1419.8 Ų19.87%0.07311%0.111CC..Hα-helixtrans-66.9-39.7175.3-65174.1000111.6V201 S202 L203 Q208 A209 L248 M251 C259 L263V201-L205 HydrophobicContact CG1-CD1 4.36Å; V201-L205 WeakPolarHBondContact O-CG 3.3Å; V201-L205 PolarHBondContact O-N 2.97Å; S202-L205 PolarHBondContact O-N 3.49Å; L203-L205 VanDerWaalsContact C-N 3.35Å; L205-Q208 WeakPolarHBondContact O-CB 3.19Å; L205-Q208 PolarHBondContact O-N 3.39Å; L205-A209 PolarHBondContact O-N 3.36Å; L205-A209 VanDerWaalsContact O-N 3.08Å; L205-L248 HydrophobicContact CD1-CD2 4.4Å; L205-M251 HydrophobicContact CD1-SD 4.43Å; L205-C259 HydrophobicContact CD1-CB 3.92Å; L205-L263 HydrophobicContact CB-CD1 4.08Å; L205-L263 HydrophobicContact CD2-CD1 3.61Å; L205-L263 HydrophobicContact CG-CD1 4.39Å
206A78.8Confident80Confident21 Ų2119.4 Ų19.417%0.17411%0.109CC..Hα-helixtrans-63-43.3174.400000111.7I138 S202 L203 Q208 A209 E210I138-A206 HydrophobicContact CD1-CB 3.93Å; S202-A206 WeakPolarHBondContact O-CB 3.31Å; S202-A206 PolarHBondContact O-N 3.01Å; L203-A206 PolarHBondContact O-N 3.38Å; A206-Q208 VanDerWaalsContact C-N 3.35Å; A206-Q208 PolarHBondContact O-N 2.95Å; A206-A209 WeakPolarHBondContact O-CB 3.44Å; A206-A209 PolarHBondContact O-N 2.96Å; A206-A209 VanDerWaalsContact O-N 3.11Å; A206-E210 PolarHBondContact O-N 3.4Å
207L83.1Confident80.8Confident0 Ų016.7 Ų16.70%010%0.095CC..Hα-helixtrans-61.2-41.7175.9-178.259.4000112K134 Q137 I138 V141 Y182 L186 L203 N204 A209 E210 I211K134-L207 HydrophobicContact CD-CD2 4.08Å; Q137-L207 HydrophobicContact CB-CD1 3.98Å; Q137-L207 HydrophobicContact CB-CD2 4.12Å; I138-L207 HydrophobicContact CD1-CB 4.48Å; I138-L207 HydrophobicContact CG1-CB 3.87Å; I138-L207 HydrophobicContact CG1-CD1 3.99Å; V141-L207 HydrophobicContact CG2-CD1 4.24Å; Y182-L207 HydrophobicContact CE1-CD2 4.04Å; L186-L207 HydrophobicContact CD1-CD2 3.75Å; L186-L207 HydrophobicContact CD1-CG 3.87Å; L186-L207 HydrophobicContact CD2-CD2 4.27Å; L203-L207 VanDerWaalsContact O-CB 3.32Å; L203-L207 WeakPolarHBondContact O-CB 3.32Å; L203-L207 PolarHBondContact O-N 3.43Å; N204-L207 PolarHBondContact O-N 3.19Å; L207-A209 VanDerWaalsContact C-N 3.3Å; L207-A209 PolarHBondContact O-N 3.24Å; L207-E210 PolarHBondContact O-N 3Å; L207-I211 HydrophobicContact CD1-CD1 4.29Å; L207-I211 HydrophobicContact CD1-CG1 4.5Å; L207-I211 HydrophobicContact CG-CD1 4.12Å; L207-I211 VanDerWaalsContact O-CG1 3.27Å; L207-I211 WeakPolarHBondContact O-CG1 3.5Å; L207-I211 PolarHBondContact O-N 3.21Å
208Q84.2Confident81.3Confident13 Ų1315.1 Ų15.16%0.0618%0.084CC..Hα-helixtrans-58.1-43.6172.6-74.7173.214.700111.5Y183 L186 N204 L205 A206 I211 L212 L263Y183-Q208 HydrophobicContact CD2-CB 4.41Å; Y183-Q208 HydrophobicContact CD2-CG 4.34Å; Y183-Q208 HydrophobicContact CE2-CB 3.85Å; Y183-Q208 HydrophobicContact CE2-CG 4.02Å; L186-Q208 HydrophobicContact CB-CG 4.25Å; L186-Q208 HydrophobicContact CD1-CG 4.32Å; L186-Q208 PolarHBondContact O-NE2 2.91Å; N204-Q208 WeakPolarHBondContact O-CG 3.44Å; N204-Q208 PolarHBondContact O-N 3.43Å; L205-Q208 WeakPolarHBondContact O-CB 3.19Å; L205-Q208 PolarHBondContact O-N 3.39Å; A206-Q208 VanDerWaalsContact C-N 3.35Å; A206-Q208 PolarHBondContact O-N 2.95Å; Q208-I211 PolarHBondContact O-N 3.23Å; Q208-L212 WeakPolarHBondContact O-CG 3.06Å; Q208-L212 PolarHBondContact O-N 2.9Å; Q208-L263 HydrophobicContact CB-CD2 3.75Å
209A84Confident82Confident3 Ų312 Ų123%0.0257%0.067CC..Hα-helixtrans-67.7-38.3-179.500000112.9L205 A206 L207 L212 T213 L263 L266 F377L205-A209 PolarHBondContact O-N 3.36Å; L205-A209 VanDerWaalsContact O-N 3.08Å; A206-A209 WeakPolarHBondContact O-CB 3.44Å; A206-A209 PolarHBondContact O-N 2.96Å; A206-A209 VanDerWaalsContact O-N 3.11Å; L207-A209 VanDerWaalsContact C-N 3.3Å; L207-A209 PolarHBondContact O-N 3.24Å; A209-L212 PolarHBondContact O-N 3.46Å; A209-T213 WeakPolarHBondContact O-CB 3.29Å; A209-T213 PolarHBondContact O-N 3.16Å; A209-T213 PolarHBondContact O-OG1 3.02Å; A209-L263 HydrophobicContact CB-CD2 3.63Å; A209-L266 HydrophobicContact CB-CD1 3.78Å; A209-F377 HydrophobicContact CB-CE1 4.21Å; A209-F377 HydrophobicContact CB-CE2 4.47Å; A209-F377 HydrophobicContact CB-CZ 3.54Å
210E85Confident82.6Confident12 Ų129.8 Ų9.86%0.0566%0.057CC..Hα-helixtrans-65.4-41.4174.3-70.8-61.6166.700112.1I138 V141 R142 A206 L207 L212 T213 F214 N787I138-E210 HydrophobicContact CG2-CG 4.03Å; V141-E210 HydrophobicContact CB-CB 4.21Å; V141-E210 HydrophobicContact CG1-CB 3.94Å; V141-E210 WeakPolarHBondContact CG1-O 3.5Å; R142-E210 HydrophobicContact CG-CG 4.26Å; R142-E210 WeakPolarHBondContact CG-OE2 3.46Å; R142-E210 IonicContact CZ-OE1 3.22Å; R142-E210 VanDerWaalsContact CZ-OE1 3.3Å; R142-E210 IonicContact NE-OE1 2.78Å; R142-E210 PolarHBondContact NE-OE1 3.38Å; R142-E210 IonicContact NE-OE2 2.74Å; R142-E210 IonicContact NH2-OE1 2.61Å; R142-E210 PolarHBondContact NH2-OE1 3.46Å; A206-E210 PolarHBondContact O-N 3.4Å; L207-E210 PolarHBondContact O-N 3Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 2.94Å; E210-T213 PolarHBondContact O-N 3.47Å; E210-F214 WeakPolarHBondContact O-CB 3.38Å; E210-F214 PolarHBondContact O-N 3.08Å; E210-N787 PolarHBondContact OE1-ND2 3.28Å; E210-N787 PolarHBondContact OE1-OD1 3.08Å
211I86.6Confident82.7Confident0 Ų011.4 Ų11.40%07%0.071CC..Hα-helixtrans-62.3-44.4175.8-66.5164000110.2V141 L179 Y182 Y183 L186 L207 Q208 T213 F214 L215V141-I211 HydrophobicContact CG1-CG1 4.42Å; V141-I211 HydrophobicContact CG2-CG1 4.12Å; L179-I211 HydrophobicContact CB-CG2 4.47Å; Y182-I211 HydrophobicContact CD1-CD1 3.89Å; Y182-I211 HydrophobicContact CE1-CD1 4.32Å; Y183-I211 HydrophobicContact CD2-CB 4.39Å; Y183-I211 HydrophobicContact CD2-CG2 4.16Å; L186-I211 HydrophobicContact CD1-CD1 3.75Å; L207-I211 HydrophobicContact CD1-CD1 4.29Å; L207-I211 HydrophobicContact CD1-CG1 4.5Å; L207-I211 HydrophobicContact CG-CD1 4.12Å; L207-I211 VanDerWaalsContact O-CG1 3.27Å; L207-I211 WeakPolarHBondContact O-CG1 3.5Å; L207-I211 PolarHBondContact O-N 3.21Å; Q208-I211 PolarHBondContact O-N 3.23Å; I211-T213 VanDerWaalsContact C-N 3.33Å; I211-T213 PolarHBondContact O-N 3.31Å; I211-F214 PolarHBondContact O-N 3.23Å; I211-L215 HydrophobicContact CG2-CD1 4.21Å; I211-L215 HydrophobicContact CG2-CG 4.44Å; I211-L215 VanDerWaalsContact O-CG 3.3Å; I211-L215 WeakPolarHBondContact O-CG 3.28Å; I211-L215 PolarHBondContact O-N 3.45Å
212L87.4Confident82.8Confident1 Ų113 Ų131%0.0058%0.077CC..Hα-helixtrans-60.9-42.6175.3-70.8172.1000111.7Y183 Q208 A209 E210 L215 V216 L263 L266 E267 L270Y183-L212 HydrophobicContact CE2-CD1 4.19Å; Y183-L212 HydrophobicContact CE2-CD2 4.03Å; Y183-L212 HydrophobicContact CE2-CG 3.85Å; Q208-L212 WeakPolarHBondContact O-CG 3.06Å; Q208-L212 PolarHBondContact O-N 2.9Å; A209-L212 PolarHBondContact O-N 3.46Å; E210-L212 VanDerWaalsContact C-N 3.34Å; E210-L212 PolarHBondContact O-N 2.94Å; L212-L215 PolarHBondContact O-N 2.83Å; L212-V216 VanDerWaalsContact O-CG2 3.28Å; L212-V216 WeakPolarHBondContact O-CG2 3.35Å; L212-V216 PolarHBondContact O-N 2.97Å; L212-L263 HydrophobicContact CD1-CD2 4Å; L212-L266 HydrophobicContact CB-CB 4.13Å; L212-L266 HydrophobicContact CB-CD1 4.35Å; L212-L266 HydrophobicContact CD1-CB 3.9Å; L212-E267 HydrophobicContact CD1-CG 3.74Å; L212-E267 HydrophobicContact CD2-CG 4.23Å; L212-L270 HydrophobicContact CD2-CD2 3.86Å
213T87.6Confident82.6Confident5 Ų515.5 Ų15.53%0.0319%0.088CC..Hα-helixtrans-61.9-46.2177.8-56.60000111.2T145 A209 E210 I211 L215 V216 W217 L378 T382T145-T213 HydrophobicContact CG2-CG2 4.38Å; A209-T213 WeakPolarHBondContact O-CB 3.29Å; A209-T213 PolarHBondContact O-N 3.16Å; A209-T213 PolarHBondContact O-OG1 3.02Å; E210-T213 PolarHBondContact O-N 3.47Å; I211-T213 VanDerWaalsContact C-N 3.33Å; I211-T213 PolarHBondContact O-N 3.31Å; T213-L215 VanDerWaalsContact C-N 3.35Å; T213-L215 PolarHBondContact O-N 3.18Å; T213-V216 PolarHBondContact O-N 3.4Å; T213-W217 PolarHBondContact O-N 2.98Å; T213-L378 HydrophobicContact CG2-CD2 4.39Å; T213-T382 HydrophobicContact CG2-CG2 4.18Å
214F88Confident82.2Confident0 Ų015.2 Ų15.20%09%0.086CC..Hα-helixtrans-56.6-48.2172.7174.4-94.4000111.4V141 C144 T145 I148 F170 F175 L179 E210 I211 V216 W217 T218V141-F214 HydrophobicContact CG1-CB 3.81Å; V141-F214 HydrophobicContact CG1-CG 4.43Å; C144-F214 HydrophobicContact CB-CD2 3.88Å; C144-F214 HydrophobicContact CB-CE2 3.6Å; T145-F214 WeakPolarHBondContact OG1-CB 3.4Å; I148-F214 HydrophobicContact CD1-CD2 3.85Å; I148-F214 HydrophobicContact CD1-CE2 3.25Å; I148-F214 HydrophobicContact CD1-CZ 3.81Å; I148-F214 HydrophobicContact CG1-CE2 4.35Å; F170-F214 HydrophobicContact CD1-CZ 4.25Å; F170-F214 HydrophobicContact CE1-CE2 4.42Å; F170-F214 HydrophobicContact CE1-CZ 4.37Å; F170-F214 HydrophobicContact CZ-CE2 4.38Å; F175-F214 HydrophobicContact CD1-CE1 4.15Å; F175-F214 AromaticContact CD1-CZ 3.85Å; F175-F214 HydrophobicContact CD1-CZ 3.85Å; F175-F214 AromaticContact CE1-CE1 3.94Å; F175-F214 HydrophobicContact CE1-CE1 3.94Å; F175-F214 HydrophobicContact CE1-CE2 4.25Å; F175-F214 AromaticContact CE1-CZ 3.6Å; F175-F214 HydrophobicContact CE1-CZ 3.6Å; L179-F214 HydrophobicContact CD1-CD1 3.42Å; L179-F214 VanDerWaalsContact CD1-CD1 3.42Å; L179-F214 HydrophobicContact CD1-CE1 3.35Å; L179-F214 HydrophobicContact CD1-CG 4.25Å; L179-F214 HydrophobicContact CD1-CZ 4.13Å; E210-F214 WeakPolarHBondContact O-CB 3.38Å; E210-F214 PolarHBondContact O-N 3.08Å; I211-F214 PolarHBondContact O-N 3.23Å; F214-V216 PolarHBondContact O-N 2.93Å; F214-W217 PolarHBondContact O-N 3.12Å; F214-T218 HydrophobicContact CD1-CG2 3.94Å; F214-T218 HydrophobicContact CD2-CG2 4.47Å; F214-T218 HydrophobicContact CE1-CG2 3.41Å; F214-T218 VanDerWaalsContact CE1-CG2 3.41Å; F214-T218 HydrophobicContact CE2-CG2 4.01Å; F214-T218 HydrophobicContact CG-CG2 4.44Å; F214-T218 HydrophobicContact CZ-CG2 3.45Å; F214-T218 VanDerWaalsContact CZ-CG2 3.45Å; F214-T218 WeakPolarHBondContact O-CG2 3.34Å; F214-T218 PolarHBondContact O-N 3.4Å
215L87.5Confident81.8Confident1 Ų119.6 Ų19.61%0.00511%0.106CC..Hα-helixtrans-58.7-47.9178.7-71.7174.8000110.9T176 V180 I211 L212 T213 W217 T218 F219 L270T176-L215 HydrophobicContact CG2-CD2 3.64Å; V180-L215 HydrophobicContact CG2-CD1 4.26Å; V180-L215 HydrophobicContact CG2-CD2 3.98Å; I211-L215 HydrophobicContact CG2-CD1 4.21Å; I211-L215 HydrophobicContact CG2-CG 4.44Å; I211-L215 VanDerWaalsContact O-CG 3.3Å; I211-L215 WeakPolarHBondContact O-CG 3.28Å; I211-L215 PolarHBondContact O-N 3.45Å; L212-L215 PolarHBondContact O-N 2.83Å; T213-L215 VanDerWaalsContact C-N 3.35Å; T213-L215 PolarHBondContact O-N 3.18Å; L215-W217 VanDerWaalsContact C-N 3.3Å; L215-W217 PolarHBondContact O-N 3.44Å; L215-T218 WeakPolarHBondContact CA-OG1 3.11Å; L215-T218 PolarHBondContact O-N 2.79Å; L215-T218 VanDerWaalsContact O-N 3.07Å; L215-T218 PolarHBondContact O-OG1 2.82Å; L215-F219 HydrophobicContact CB-CD2 4.39Å; L215-F219 HydrophobicContact CB-CE2 4.28Å; L215-F219 HydrophobicContact CD2-CE2 4.45Å; L215-F219 WeakPolarHBondContact O-CD2 3.36Å; L215-F219 PolarHBondContact O-N 3.17Å; L215-L270 HydrophobicContact CB-CD1 4Å; L215-L270 HydrophobicContact CD1-CD2 4.35Å
216V87.8Confident81.4Confident0 Ų020.5 Ų20.50%012%0.115CC..Hα-helixtrans-56.8-43.9177.9175.90000111.4L212 T213 F214 F219 H220 L269 L270 M385L212-V216 VanDerWaalsContact O-CG2 3.28Å; L212-V216 WeakPolarHBondContact O-CG2 3.35Å; L212-V216 PolarHBondContact O-N 2.97Å; T213-V216 PolarHBondContact O-N 3.4Å; F214-V216 PolarHBondContact O-N 2.93Å; V216-F219 PolarHBondContact O-N 3.43Å; V216-H220 WeakPolarHBondContact O-CB 3.44Å; V216-H220 PolarHBondContact O-N 3.23Å; V216-L269 HydrophobicContact CG1-CD2 4.05Å; V216-L269 HydrophobicContact CG1-CG 4.15Å; V216-L269 HydrophobicContact CG2-CD2 4.45Å; V216-L269 HydrophobicContact CG2-CG 4.35Å; V216-L270 HydrophobicContact CG2-CB 3.97Å; V216-L270 HydrophobicContact CG2-CD1 4.04Å; V216-M385 HydrophobicContact CG1-CE 3.29Å; V216-M385 HydrophobicContact CG1-SD 3.99Å
217W87.1Confident81.2Confident2 Ų222.1 Ų22.11%0.00813%0.125CC..Hα-helixtrans-65.6-38.8174.9-84.8104.3000113.1T145 I148 K149 Y152 F153 T213 F214 L215 H220 A221 D381 T382 M385T145-W217 HydrophobicContact CG2-CG 4.23Å; I148-W217 HydrophobicContact CG2-CB 4.15Å; K149-W217 HydrophobicContact CD-CZ2 4.09Å; K149-W217 VanDerWaalsContact CE-NE1 3.3Å; K149-W217 HydrophobicContact CG-CD2 3.94Å; K149-W217 HydrophobicContact CG-CE3 4.15Å; K149-W217 HydrophobicContact CG-CH2 4.03Å; K149-W217 HydrophobicContact CG-CZ2 3.81Å; K149-W217 HydrophobicContact CG-CZ3 4.19Å; Y152-W217 HydrophobicContact CD1-CZ3 4.43Å; Y152-W217 HydrophobicContact CG-CZ3 4.48Å; F153-W217 HydrophobicContact CE2-CH2 4.06Å; F153-W217 HydrophobicContact CZ-CH2 4.28Å; T213-W217 PolarHBondContact O-N 2.98Å; F214-W217 PolarHBondContact O-N 3.12Å; L215-W217 VanDerWaalsContact C-N 3.3Å; L215-W217 PolarHBondContact O-N 3.44Å; W217-H220 AromaticContact CZ3-CD2 3.88Å; W217-H220 PolarHBondContact O-N 2.9Å; W217-A221 WeakPolarHBondContact O-CB 3.3Å; W217-A221 PolarHBondContact O-N 2.87Å; W217-D381 HydrophobicContact CH2-CB 4.42Å; W217-D381 HydrophobicContact CZ2-CB 4.14Å; W217-T382 PolarHBondContact NE1-OG1 3.45Å; W217-M385 HydrophobicContact CH2-CB 4.49Å
218T83.6Confident80.9Confident0 Ų023.4 Ų23.40%013%0.13CC..Hα-helixtrans-62.8-43.1174.359.90000112.1I148 F214 L215 H220 F222I148-T218 HydrophobicContact CD1-CG2 3.48Å; I148-T218 VanDerWaalsContact CD1-CG2 3.48Å; F214-T218 HydrophobicContact CD1-CG2 3.94Å; F214-T218 HydrophobicContact CD2-CG2 4.47Å; F214-T218 HydrophobicContact CE1-CG2 3.41Å; F214-T218 VanDerWaalsContact CE1-CG2 3.41Å; F214-T218 HydrophobicContact CE2-CG2 4.01Å; F214-T218 HydrophobicContact CG-CG2 4.44Å; F214-T218 HydrophobicContact CZ-CG2 3.45Å; F214-T218 VanDerWaalsContact CZ-CG2 3.45Å; F214-T218 WeakPolarHBondContact O-CG2 3.34Å; F214-T218 PolarHBondContact O-N 3.4Å; L215-T218 WeakPolarHBondContact CA-OG1 3.11Å; L215-T218 PolarHBondContact O-N 2.79Å; L215-T218 VanDerWaalsContact O-N 3.07Å; L215-T218 PolarHBondContact O-OG1 2.82Å; T218-H220 PolarHBondContact O-N 3.43Å; T218-F222 WeakPolarHBondContact O-CB 3.31Å; T218-F222 WeakPolarHBondContact O-CD2 3.36Å; T218-F222 PolarHBondContact O-N 3.5Å; T218-F222 VanDerWaalsContact O-N 3.1Å
219F82.2Confident80.6Confident3 Ų322.8 Ų22.81%0.01313%0.127CC..Hα-helixtrans-70.5-17.5176.4-73.4-71.4000113L215 V216 M224 W228 I229 L270 K273 M274L215-F219 HydrophobicContact CB-CD2 4.39Å; L215-F219 HydrophobicContact CB-CE2 4.28Å; L215-F219 HydrophobicContact CD2-CE2 4.45Å; L215-F219 WeakPolarHBondContact O-CD2 3.36Å; L215-F219 PolarHBondContact O-N 3.17Å; V216-F219 PolarHBondContact O-N 3.43Å; F219-M224 HydrophobicContact CB-SD 4.38Å; F219-M224 HydrophobicContact CD1-CG 3.99Å; F219-M224 HydrophobicContact CD1-SD 4.03Å; F219-W228 HydrophobicContact CE1-CB 4.15Å; F219-W228 HydrophobicContact CZ-CB 4.4Å; F219-I229 HydrophobicContact CE1-CG1 4.03Å; F219-L270 HydrophobicContact CD2-CD1 3.48Å; F219-L270 VanDerWaalsContact CD2-CD1 3.48Å; F219-L270 HydrophobicContact CE2-CD1 3.73Å; F219-K273 HydrophobicContact CB-CG 4.05Å; F219-M274 HydrophobicContact CD2-CE 4.46Å; F219-M274 HydrophobicContact CE1-CE 4.19Å; F219-M274 HydrophobicContact CE2-CE 3.69Å; F219-M274 HydrophobicContact CZ-CE 3.52Å
220H83.4Confident80.4Confident39 Ų3924.9 Ų24.918%0.18114%0.142CC..Hα-helixtrans-86.2-43.6173.2-175.638.2000113.2Y152 V216 W217 T218 K273 M385Y152-H220 AromaticContact CE2-NE2 3.8Å; Y152-H220 AromaticContact CZ-NE2 3.63Å; V216-H220 WeakPolarHBondContact O-CB 3.44Å; V216-H220 PolarHBondContact O-N 3.23Å; W217-H220 AromaticContact CZ3-CD2 3.88Å; W217-H220 PolarHBondContact O-N 2.9Å; T218-H220 PolarHBondContact O-N 3.43Å; H220-K273 PolarHBondContact ND1-NZ 3.16Å; H220-M385 VanDerWaalsContact CD2-CG 3.49Å; H220-M385 WeakPolarHBondContact CD2-CG 3.29Å
221A78.8Confident80.1Confident40 Ų4026.5 Ų26.533%0.33115%0.153SC..Hα-helixtrans-81.1-28.8-173.700000113.7I148 W217I148-A221 HydrophobicContact CG2-CB 3.78Å; W217-A221 WeakPolarHBondContact O-CB 3.3Å; W217-A221 PolarHBondContact O-N 2.87Å
222F76.2Confident79.8Confident42 Ų4226.5 Ų26.518%0.18415%0.153CC..SBendtrans-109.6146.1-178.5-60.3-72.1000111.5C167 F170 A171 T218 M224 W228C167-F222 HydrophobicContact CB-CE1 4.42Å; C167-F222 HydrophobicContact CB-CZ 4.32Å; F170-F222 HydrophobicContact CB-CE2 4.34Å; F170-F222 HydrophobicContact CB-CZ 4.29Å; A171-F222 HydrophobicContact CB-CE1 4.48Å; T218-F222 WeakPolarHBondContact O-CB 3.31Å; T218-F222 WeakPolarHBondContact O-CD2 3.36Å; T218-F222 PolarHBondContact O-N 3.5Å; T218-F222 VanDerWaalsContact O-N 3.1Å; F222-M224 PolarHBondContact O-N 3.02Å; F222-W228 HydrophobicContact CB-CH2 3.93Å; F222-W228 HydrophobicContact CB-CZ3 3.69Å; F222-W228 HydrophobicContact CD2-CH2 4.14Å; F222-W228 HydrophobicContact CD2-CZ3 4.06Å; F222-W228 HydrophobicContact CG-CH2 4.01Å; F222-W228 HydrophobicContact CG-CZ3 4.08Å
223D68.9Low79.4Confident95 Ų9526.6 Ų26.651%0.50815%0.154SC..  trans-61.5126.3171.7-76.1-37.3000110.5E225D223-E225 PolarHBondContact O-N 3.39Å; D223-E225 VanDerWaalsContact O-N 3.1Å
224M68.4Low78.8Confident9 Ų930.1 Ų30.14%0.04417%0.172CC..  trans-72.1109-171.6-64.7-172.4-103.100112F219 F222 I229 K273 S276 H296F219-M224 HydrophobicContact CB-SD 4.38Å; F219-M224 HydrophobicContact CD1-CG 3.99Å; F219-M224 HydrophobicContact CD1-SD 4.03Å; F222-M224 PolarHBondContact O-N 3.02Å; M224-I229 HydrophobicContact CB-CD1 4.05Å; M224-K273 WeakPolarHBondContact CE-O 3.48Å; M224-S276 VanDerWaalsContact CE-CB 3.45Å; M224-S276 WeakPolarHBondContact CE-OG 3.48Å; M224-S276 PolarHBondContact SD-OG 2.91Å; M224-H296 PolarHBondContact O-CE1 3.44Å; M224-H296 VanDerWaalsContact O-CE1 3.25Å
225E70.6Confident78.1Confident112 Ų11230.6 Ų30.652%0.52318%0.175SC..  trans-85.3144.2169.8-66.4-172.3178.100111.9D223 S227 W228 I229D223-E225 PolarHBondContact O-N 3.39Å; D223-E225 VanDerWaalsContact O-N 3.1Å; E225-S227 VanDerWaalsContact CB-OG 3.28Å; E225-S227 WeakPolarHBondContact CB-OG 3.46Å; E225-S227 PolarHBondContact O-N 2.92Å; E225-S227 PolarHBondContact OE2-OG 3.24Å; E225-W228 PolarHBondContact O-N 2.78Å; E225-I229 PolarHBondContact O-N 2.78Å
226A71.1Confident77.3Confident32 Ų3230.6 Ų30.626%0.26418%0.175SC..Hα-helixtrans-57.4-23173.300000113.4W228 S230 H296 F302A226-W228 VanDerWaalsContact C-N 3.31Å; A226-W228 PolarHBondContact O-N 2.82Å; A226-S230 PolarHBondContact O-N 3.05Å; A226-S230 PolarHBondContact O-OG 3.33Å; A226-H296 HydrophobicContact CB-CB 4.06Å; A226-F302 HydrophobicContact CB-CD2 3.75Å; A226-F302 HydrophobicContact CB-CE2 3.63Å; A226-F302 HydrophobicContact CB-CZ 4.48Å
227S74.5Confident76.3Confident56 Ų5635.5 Ų35.539%0.39219%0.193SC..Hα-helixtrans-64.8-30177.965.10000112.8E225 P231E225-S227 VanDerWaalsContact CB-OG 3.28Å; E225-S227 WeakPolarHBondContact CB-OG 3.46Å; E225-S227 PolarHBondContact O-N 2.92Å; E225-S227 PolarHBondContact OE2-OG 3.24Å; S227-P231 WeakPolarHBondContact O-CD 3.27Å; S227-P231 WeakPolarHBondContact O-CG 3.36Å
228W76.4Confident75.1Confident27 Ų2741.7 Ų41.710%0.10223%0.227CC..Hα-helixtrans-95.5-35.8-179.5-61.52.2000112.1F219 F222 E225 A226 T232F219-W228 HydrophobicContact CE1-CB 4.15Å; F219-W228 HydrophobicContact CZ-CB 4.4Å; F222-W228 HydrophobicContact CB-CH2 3.93Å; F222-W228 HydrophobicContact CB-CZ3 3.69Å; F222-W228 HydrophobicContact CD2-CH2 4.14Å; F222-W228 HydrophobicContact CD2-CZ3 4.06Å; F222-W228 HydrophobicContact CG-CH2 4.01Å; F222-W228 HydrophobicContact CG-CZ3 4.08Å; E225-W228 PolarHBondContact O-N 2.78Å; A226-W228 VanDerWaalsContact C-N 3.31Å; A226-W228 PolarHBondContact O-N 2.82Å; W228-T232 PolarHBondContact O-OG1 3.14Å
229I78.6Confident73.8Confident0 Ų044.2 Ų44.20%025%0.253CS..Hα-helixtrans-67.8-46.9-178.8-61.7167.7000110.8F219 M224 E225 T232 L233 M274 W297 F302F219-I229 HydrophobicContact CE1-CG1 4.03Å; M224-I229 HydrophobicContact CB-CD1 4.05Å; E225-I229 PolarHBondContact O-N 2.78Å; I229-T232 PolarHBondContact O-N 3.23Å; I229-L233 HydrophobicContact CG2-CD1 3.43Å; I229-L233 VanDerWaalsContact CG2-CD1 3.43Å; I229-L233 HydrophobicContact CG2-CG 3.82Å; I229-L233 VanDerWaalsContact O-CG 3.31Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 3.36Å; I229-M274 HydrophobicContact CG2-SD 4.48Å; I229-W297 HydrophobicContact CD1-CH2 4.46Å; I229-W297 HydrophobicContact CD1-CZ2 3.87Å; I229-F302 HydrophobicContact CB-CE2 4.1Å; I229-F302 HydrophobicContact CB-CZ 3.77Å; I229-F302 HydrophobicContact CD1-CZ 3.74Å; I229-F302 HydrophobicContact CG1-CZ 4.38Å; I229-F302 HydrophobicContact CG2-CE2 4.16Å; I229-F302 HydrophobicContact CG2-CZ 3.57Å
230S79.8Confident72.4Confident47 Ų4744.5 Ų44.533%0.32925%0.254SS..Hα-helixtrans-60.7-46.6-172.4-48.10000113.8A226 L233 N234A226-S230 PolarHBondContact O-N 3.05Å; A226-S230 PolarHBondContact O-OG 3.33Å; S230-L233 PolarHBondContact O-N 3.46Å; S230-N234 VanDerWaalsContact O-CG 3.32Å; S230-N234 PolarHBondContact O-N 3.24Å; S230-N234 VanDerWaalsContact O-N 3.14Å; S230-N234 PolarHBondContact O-ND2 3.41Å
231P78.6Confident71Confident45 Ų4544.9 Ų44.929%0.29225%0.254SS..Hα-helixtrans-64.2-40.1176.1-23.536.8000112.7L177 S227 L233 N234 L235L177-P231 HydrophobicContact CD2-CB 3.89Å; L177-P231 HydrophobicContact CD2-CG 3.72Å; S227-P231 WeakPolarHBondContact O-CD 3.27Å; S227-P231 WeakPolarHBondContact O-CG 3.36Å; P231-L233 PolarHBondContact O-N 3.34Å; P231-N234 PolarHBondContact O-N 3.03Å; P231-L235 PolarHBondContact O-N 3.21Å
232T79.5Confident69.7Low1 Ų148.7 Ų48.71%0.00627%0.269CS..Hα-helixtrans-68.6-35.5-179.6-43.60000111.6V180 W228 I229 L235 F236 L270 M274V180-T232 HydrophobicContact CG2-CG2 4.15Å; W228-T232 PolarHBondContact O-OG1 3.14Å; I229-T232 PolarHBondContact O-N 3.23Å; T232-L235 HydrophobicContact CG2-CD1 4.24Å; T232-L235 WeakPolarHBondContact O-CB 3.39Å; T232-L235 PolarHBondContact O-N 2.99Å; T232-F236 HydrophobicContact CG2-CE2 4.46Å; T232-F236 WeakPolarHBondContact O-CD2 3.32Å; T232-F236 WeakPolarHBondContact O-CE2 3.46Å; T232-L270 HydrophobicContact CG2-CD2 4.26Å; T232-M274 VanDerWaalsContact CB-CE 3.4Å; T232-M274 HydrophobicContact CG2-CE 3.33Å
233L77.8Confident68.5Low3 Ų348.5 Ų48.52%0.01627%0.27CS..Hα-helixtrans-65.8-37.8172.2-72.5171.7000112.9I229 S230 P231 L235 F236 F271 M274 F306I229-L233 HydrophobicContact CG2-CD1 3.43Å; I229-L233 VanDerWaalsContact CG2-CD1 3.43Å; I229-L233 HydrophobicContact CG2-CG 3.82Å; I229-L233 VanDerWaalsContact O-CG 3.31Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 3.36Å; S230-L233 PolarHBondContact O-N 3.46Å; P231-L233 PolarHBondContact O-N 3.34Å; L233-L235 PolarHBondContact O-N 2.52Å; L233-F236 PolarHBondContact O-N 3.06Å; L233-F271 HydrophobicContact CD2-CD1 4.31Å; L233-F271 HydrophobicContact CD2-CE1 3.94Å; L233-M274 HydrophobicContact CD2-SD 4Å; L233-M274 HydrophobicContact CG-SD 4.38Å; L233-F306 HydrophobicContact CD1-CB 4.14Å; L233-F306 HydrophobicContact CD1-CD2 3.33Å; L233-F306 HydrophobicContact CD1-CE2 3.99Å; L233-F306 HydrophobicContact CD1-CG 4.05Å; L233-F306 HydrophobicContact CD2-CD2 3.77Å; L233-F306 HydrophobicContact CD2-CE2 3.68Å; L233-F306 HydrophobicContact CD2-CG 4.44Å; L233-F306 HydrophobicContact CD2-CZ 4.37Å; L233-F306 HydrophobicContact CG-CD2 4.18Å; L233-F306 HydrophobicContact CG-CE2 4.42Å
234N76.3Confident67.6Low78 Ų7851 Ų5142%0.41728%0.279SS..Hα-helixtrans-63.5-30179.6-74.5-29.6000112.3S230 P231 F236 R237S230-N234 VanDerWaalsContact O-CG 3.32Å; S230-N234 PolarHBondContact O-N 3.24Å; S230-N234 VanDerWaalsContact O-N 3.14Å; S230-N234 PolarHBondContact O-ND2 3.41Å; P231-N234 PolarHBondContact O-N 3.03Å; N234-F236 PolarHBondContact O-N 3.05Å; N234-F236 VanDerWaalsContact O-N 3.11Å; N234-R237 WeakPolarHBondContact O-CB 3.28Å; N234-R237 PolarHBondContact O-N 2.94Å
235L71.9Confident66.6Low11 Ų1154.4 Ų54.46%0.05830%0.303CS..THydrogen-bonded Turntrans-52.1-34.3172.5-65.5-179.6000112.3V180 Y183 E184 R187 P231 T232 L233V180-L235 HydrophobicContact CB-CD1 4.3Å; V180-L235 HydrophobicContact CG1-CD1 3.49Å; V180-L235 VanDerWaalsContact CG1-CD1 3.49Å; V180-L235 HydrophobicContact CG1-CD2 4.03Å; V180-L235 HydrophobicContact CG1-CG 3.79Å; Y183-L235 HydrophobicContact CD1-CD1 3.96Å; E184-L235 HydrophobicContact CB-CD2 3.49Å; E184-L235 VanDerWaalsContact CB-CD2 3.49Å; E184-L235 HydrophobicContact CG-CD2 3.65Å; R187-L235 PolarHBondContact NH1-O 2.76Å; P231-L235 PolarHBondContact O-N 3.21Å; T232-L235 HydrophobicContact CG2-CD1 4.24Å; T232-L235 WeakPolarHBondContact O-CB 3.39Å; T232-L235 PolarHBondContact O-N 2.99Å; L233-L235 PolarHBondContact O-N 2.52Å
236F71.5Confident65.8Low1 Ų156.1 Ų56.10%0.00431%0.305CS..THydrogen-bonded Turntrans-93.4-5.3-175.8-59.2-71.1000112.2T232 L233 N234 D238 I240 E267 L270 F271 V309T232-F236 HydrophobicContact CG2-CE2 4.46Å; T232-F236 WeakPolarHBondContact O-CD2 3.32Å; T232-F236 WeakPolarHBondContact O-CE2 3.46Å; L233-F236 PolarHBondContact O-N 3.06Å; N234-F236 PolarHBondContact O-N 3.05Å; N234-F236 VanDerWaalsContact O-N 3.11Å; F236-D238 VanDerWaalsContact C-N 3.3Å; F236-D238 PolarHBondContact O-N 3.38Å; F236-I240 HydrophobicContact CB-CD1 3.64Å; F236-I240 HydrophobicContact CB-CG1 3.84Å; F236-I240 HydrophobicContact CD1-CG1 4.46Å; F236-I240 HydrophobicContact CD1-CG2 4.06Å; F236-I240 WeakPolarHBondContact O-CD1 3.34Å; F236-I240 WeakPolarHBondContact O-CG1 3.17Å; F236-E267 HydrophobicContact CE1-CG 4.12Å; F236-E267 HydrophobicContact CZ-CG 4.43Å; F236-L270 HydrophobicContact CE2-CD2 4.31Å; F236-L270 HydrophobicContact CZ-CD2 4.33Å; F236-F271 HydrophobicContact CB-CE1 4.49Å; F236-F271 HydrophobicContact CB-CZ 3.71Å; F236-F271 HydrophobicContact CD1-CE2 4.18Å; F236-F271 AromaticContact CD1-CZ 3.99Å; F236-F271 HydrophobicContact CD1-CZ 3.99Å; F236-F271 AromaticContact CD2-CE1 3.95Å; F236-F271 HydrophobicContact CD2-CE1 3.95Å; F236-F271 HydrophobicContact CD2-CE2 4.15Å; F236-F271 AromaticContact CD2-CZ 3.41Å; F236-F271 HydrophobicContact CD2-CZ 3.41Å; F236-F271 VanDerWaalsContact CD2-CZ 3.41Å; F236-F271 HydrophobicContact CE1-CE2 4.35Å; F236-F271 HydrophobicContact CE1-CZ 4.46Å; F236-F271 HydrophobicContact CE2-CE1 4.49Å; F236-F271 HydrophobicContact CE2-CE2 4.32Å; F236-F271 AromaticContact CE2-CZ 3.96Å; F236-F271 HydrophobicContact CE2-CZ 3.96Å; F236-F271 HydrophobicContact CG-CE1 4.33Å; F236-F271 HydrophobicContact CG-CE2 4.08Å; F236-F271 AromaticContact CG-CZ 3.43Å; F236-F271 HydrophobicContact CG-CZ 3.43Å; F236-F271 VanDerWaalsContact CG-CZ 3.43Å; F236-F271 HydrophobicContact CZ-CE2 4.41Å; F236-F271 HydrophobicContact CZ-CZ 4.45Å; F236-V309 HydrophobicContact CB-CG1 4.11Å
237R67.4Low64.9Low102 Ų10256.5 Ų56.539%0.38530%0.302SS..THydrogen-bonded Turntrans-64.3-34.8-178.1-173.8175.3-98.9174.7-10.6113.1N234 G239 D308 V309N234-R237 WeakPolarHBondContact O-CB 3.28Å; N234-R237 PolarHBondContact O-N 2.94Å; R237-G239 PolarHBondContact O-N 2.96Å; R237-D308 IonicContact NH2-OD2 3.57Å; R237-D308 PolarHBondContact NH2-OD2 3.45Å; R237-V309 HydrophobicContact CB-CG2 4.19Å
238D61.4Low64Low133 Ų13355.2 Ų55.271%0.71129%0.291SS*.SBendtrans-97.690.5-177.2-64.8-21.1000111.4R187 F236R187-D238 PolarHBondContact NH2-O 2.87Å; R187-D238 VanDerWaalsContact NH2-O 3.14Å; F236-D238 VanDerWaalsContact C-N 3.3Å; F236-D238 PolarHBondContact O-N 3.38Å
239G57Low62.9Low53 Ų5361 Ų6155%0.54633%0.329SS..  trans60.177.3162.700000116.7R187 R237 Y241R187-G239 PolarHBondContact NH2-O 3.37Å; R237-G239 PolarHBondContact O-N 2.96Å; G239-Y241 VanDerWaalsContact C-N 3.29Å; G239-Y241 PolarHBondContact O-N 2.89Å; G239-Y241 VanDerWaalsContact O-N 3.14Å
240I52.5Low61.7Low9 Ų963.6 Ų63.65%0.04635%0.348CS..THydrogen-bonded Turntrans-69.7-10.9-167.3-54165.8000114.5F236 V309 L313F236-I240 HydrophobicContact CB-CD1 3.64Å; F236-I240 HydrophobicContact CB-CG1 3.84Å; F236-I240 HydrophobicContact CD1-CG1 4.46Å; F236-I240 HydrophobicContact CD1-CG2 4.06Å; F236-I240 WeakPolarHBondContact O-CD1 3.34Å; F236-I240 WeakPolarHBondContact O-CG1 3.17Å; I240-V309 HydrophobicContact CD1-CG1 4.21Å; I240-L313 HydrophobicContact CB-CD2 4.05Å; I240-L313 HydrophobicContact CD1-CD1 4.13Å; I240-L313 HydrophobicContact CD1-CD2 3.14Å; I240-L313 HydrophobicContact CD1-CG 3.43Å; I240-L313 VanDerWaalsContact CD1-CG 3.43Å; I240-L313 HydrophobicContact CG1-CD2 4.16Å; I240-L313 HydrophobicContact CG2-CD2 4.05Å
241Y53.3Low60.6Low47 Ų4762.2 Ų62.218%0.18434%0.336CS..THydrogen-bonded Turntrans-134.811.9-172.1-62.6-75000117.4G239 L243 R264 L313 H319G239-Y241 VanDerWaalsContact C-N 3.29Å; G239-Y241 PolarHBondContact O-N 2.89Å; G239-Y241 VanDerWaalsContact O-N 3.14Å; Y241-L243 PolarHBondContact O-N 3.48Å; Y241-R264 HydrophobicContact CD1-CG 4.42Å; Y241-R264 HydrophobicContact CE1-CG 3.99Å; Y241-L313 HydrophobicContact CE2-CD2 3.58Å; Y241-H319 AromaticContact CD2-CE1 3.54Å; Y241-H319 AromaticContact CE1-CE1 3.65Å; Y241-H319 AromaticContact CE1-NE2 3.35Å; Y241-H319 VanDerWaalsContact CE1-NE2 3.35Å; Y241-H319 WeakPolarHBondContact CE1-NE2 3.23Å; Y241-H319 AromaticContact CE2-CE1 2.83Å; Y241-H319 WeakPolarHBondContact CE2-CE1 3.33Å; Y241-H319 AromaticContact CE2-ND1 3.53Å; Y241-H319 AromaticContact CE2-NE2 3.4Å; Y241-H319 WeakPolarHBondContact CE2-NE2 3.3Å; Y241-H319 AromaticContact CZ-CD2 3.73Å; Y241-H319 AromaticContact CZ-CE1 2.92Å; Y241-H319 AromaticContact CZ-ND1 3.79Å; Y241-H319 AromaticContact CZ-NE2 2.89Å; Y241-H319 PolarHBondContact OH-CD2 2.92Å; Y241-H319 PolarHBondContact OH-CE1 3.3Å; Y241-H319 PolarHBondContact OH-NE2 2.87Å
242D51.1Low59.6Low119 Ų11962.7 Ų62.764%0.63634%0.341SS*.G310 helixtrans-77.522.6175.7-124.315.9000113.6E244 S245D242-E244 PolarHBondContact O-N 3.26Å; D242-E244 VanDerWaalsContact O-N 3.09Å; D242-S245 PolarHBondContact O-OG 3.43Å
243L52.6Low58.5Low38 Ų3866.6 Ų66.620%0.19937%0.373CS..G310 helixtrans-55.9-20.2171.6-86.3146.1000112.1Y241 S245 L248 L260Y241-L243 PolarHBondContact O-N 3.48Å; L243-S245 PolarHBondContact O-N 3.17Å; L243-S245 VanDerWaalsContact O-N 3.13Å; L243-L248 WeakPolarHBondContact O-CD1 3.48Å; L243-L260 HydrophobicContact CB-CD2 4.18Å; L243-L260 HydrophobicContact CD1-CD2 4.35Å; L243-L260 HydrophobicContact CD2-CD2 3.91Å; L243-L260 HydrophobicContact CG-CD2 4.38Å
244E50Low57.8Low149 Ų14973.8 Ų73.870%0.69641%0.406SS*.G310 helixtrans-70.1-5.5-174-64.8-173.9175.700115D242 R264D242-E244 PolarHBondContact O-N 3.26Å; D242-E244 VanDerWaalsContact O-N 3.09Å; E244-R264 IonicContact OE1-NH2 2.76Å
245S46.9Very low57Low80 Ų8074.6 Ų74.656%0.55941%0.408SS*.G310 helixtrans-1180.8-170.364.10000117.1D242 L243D242-S245 PolarHBondContact O-OG 3.43Å; L243-S245 PolarHBondContact O-N 3.17Å; L243-S245 VanDerWaalsContact O-N 3.13Å
246R52.6Low56.6Low147 Ų14774.9 Ų74.956%0.55541%0.41SS*.SBendtrans-133.9114.6-168.6-57.7-176.7-174.2-178.13112.6L248R246-L248 VanDerWaalsContact C-N 3.27Å; R246-L248 PolarHBondContact O-N 2.98Å; R246-L248 VanDerWaalsContact O-N 3.14Å
247N53.8Low56.5Low40 Ų4082.6 Ų82.621%0.21444%0.444CS..SBendtrans66.6-1.8173.3-56.1-23.2000118.6L196 V201L196-N247 HydrophobicContact CD2-CB 4.08Å; V201-N247 HydrophobicContact CG2-CB 4.48Å
248L55.4Low56.6Low30 Ų3081.4 Ų81.416%0.15744%0.439CS..G310 helixtrans-82.2-9.2179.6-67.2162000114.5L205 L243 R246 S250 M251 T256 L260L205-L248 HydrophobicContact CD1-CD2 4.4Å; L243-L248 WeakPolarHBondContact O-CD1 3.48Å; R246-L248 VanDerWaalsContact C-N 3.27Å; R246-L248 PolarHBondContact O-N 2.98Å; R246-L248 VanDerWaalsContact O-N 3.14Å; L248-S250 PolarHBondContact O-N 3.25Å; L248-S250 VanDerWaalsContact O-N 3.12Å; L248-M251 PolarHBondContact O-N 3.42Å; L248-T256 HydrophobicContact CB-CG2 4.24Å; L248-T256 HydrophobicContact CD2-CG2 3.64Å; L248-L260 HydrophobicContact CD1-CD1 3.85Å
249T53.2Low56.9Low147 Ų14776.1 Ų76.190%0.90241%0.413SS*.G310 helixtrans-65.5-13.7-177.349.80000113.8
250S54.3Low57.7Low56 Ų5674.4 Ų74.439%0.39239%0.391SS..G310 helixtrans-89-31.8178.269.40000112.7D198 L248D198-S250 WeakPolarHBondContact OD1-CB 3.33Å; D198-S250 VanDerWaalsContact OD1-O 3.08Å; D198-S250 PolarHBondContact OD1-OG 3.11Å; L248-S250 PolarHBondContact O-N 3.25Å; L248-S250 VanDerWaalsContact O-N 3.12Å
251M55.7Low58.8Low17 Ų1774.7 Ų74.78%0.08440%0.396CS..SBendtrans-79.4154.9-178-77.2-172.859.800112.9D198 V201 L205 L248 E255 T256D198-M251 HydrophobicContact CB-CG 4.07Å; D198-M251 PolarHBondContact OD1-N 3.17Å; V201-M251 HydrophobicContact CB-SD 4.14Å; V201-M251 HydrophobicContact CG1-CG 4.4Å; V201-M251 HydrophobicContact CG1-SD 3.69Å; L205-M251 HydrophobicContact CD1-SD 4.43Å; L248-M251 PolarHBondContact O-N 3.42Å; M251-E255 HydrophobicContact CE-CB 3.57Å; M251-T256 HydrophobicContact CB-CG2 3.27Å; M251-T256 HydrophobicContact CE-CG2 3.97Å; M251-T256 HydrophobicContact CG-CG2 4.21Å; M251-T256 HydrophobicContact SD-CG2 4.04Å
252S58.2Low59.9Low55 Ų5572.5 Ų72.539%0.38539%0.387SS..  trans-60.3143.2173.173.90000111.3E254 E255 T256S252-E254 PolarHBondContact O-N 3.08Å; S252-E254 VanDerWaalsContact O-N 3.1Å; S252-E255 PolarHBondContact O-N 2.87Å; S252-E255 WeakPolarHBondContact OG-CB 3.39Å; S252-E255 VanDerWaalsContact OG-CD 3.28Å; S252-E255 VanDerWaalsContact OG-CG 3.23Å; S252-E255 WeakPolarHBondContact OG-CG 3.42Å; S252-E255 PolarHBondContact OG-N 3.1Å; S252-E255 PolarHBondContact OG-OE2 3.49Å; S252-T256 WeakPolarHBondContact O-CG2 3.47Å; S252-T256 PolarHBondContact O-N 3.45Å; S252-T256 PolarHBondContact O-OG1 3.43Å
253A56.7Low61.3Low83 Ų8367.1 Ų67.169%0.68636%0.358SS*.Hα-helixtrans-60.3-24.1-176.900000113.3T256 K257A253-T256 WeakPolarHBondContact CA-OG1 3.32Å; A253-T256 PolarHBondContact O-OG1 2.82Å; A253-T256 VanDerWaalsContact O-OG1 3.05Å; A253-K257 WeakPolarHBondContact O-CB 3.39Å; A253-K257 PolarHBondContact O-N 3.29Å
254E61.5Low62.5Low154 Ų15467.1 Ų67.172%0.7236%0.356SS*.Hα-helixtrans-82-46.3-179-65.4-175.817900112.5S252 T256 K257 W258S252-E254 PolarHBondContact O-N 3.08Å; S252-E254 VanDerWaalsContact O-N 3.1Å; E254-T256 VanDerWaalsContact C-N 3.34Å; E254-T256 PolarHBondContact O-N 2.92Å; E254-K257 PolarHBondContact O-N 3.03Å; E254-W258 WeakPolarHBondContact O-CB 3.46Å; E254-W258 PolarHBondContact O-N 3.33Å
255E60.9Low64.1Low95 Ų9560.2 Ų60.244%0.44432%0.324SS..Hα-helixtrans-66.1-38.8179.4-69171.3137.400111.5M251 S252 W258 C259M251-E255 HydrophobicContact CE-CB 3.57Å; S252-E255 PolarHBondContact O-N 2.87Å; S252-E255 WeakPolarHBondContact OG-CB 3.39Å; S252-E255 VanDerWaalsContact OG-CD 3.28Å; S252-E255 VanDerWaalsContact OG-CG 3.23Å; S252-E255 WeakPolarHBondContact OG-CG 3.42Å; S252-E255 PolarHBondContact OG-N 3.1Å; S252-E255 PolarHBondContact OG-OE2 3.49Å; E255-W258 PolarHBondContact O-N 3.46Å; E255-C259 WeakPolarHBondContact O-CB 3.49Å; E255-C259 PolarHBondContact O-N 3.43Å; E255-C259 PolarHBondContact O-SG 3.32Å; E255-C259 VanDerWaalsContact O-SG 3.36Å
256T62.4Low65.9Low17 Ų1756.4 Ų56.410%0.10430%0.297CS..Hα-helixtrans-61.6-48.7174.648.70000111.3L248 M251 S252 A253 E254 W258 C259 L260L248-T256 HydrophobicContact CB-CG2 4.24Å; L248-T256 HydrophobicContact CD2-CG2 3.64Å; M251-T256 HydrophobicContact CB-CG2 3.27Å; M251-T256 HydrophobicContact CE-CG2 3.97Å; M251-T256 HydrophobicContact CG-CG2 4.21Å; M251-T256 HydrophobicContact SD-CG2 4.04Å; S252-T256 WeakPolarHBondContact O-CG2 3.47Å; S252-T256 PolarHBondContact O-N 3.45Å; S252-T256 PolarHBondContact O-OG1 3.43Å; A253-T256 WeakPolarHBondContact CA-OG1 3.32Å; A253-T256 PolarHBondContact O-OG1 2.82Å; A253-T256 VanDerWaalsContact O-OG1 3.05Å; E254-T256 VanDerWaalsContact C-N 3.34Å; E254-T256 PolarHBondContact O-N 2.92Å; T256-W258 VanDerWaalsContact C-N 3.3Å; T256-W258 PolarHBondContact O-N 2.85Å; T256-C259 PolarHBondContact O-N 2.88Å; T256-L260 VanDerWaalsContact O-CB 3.23Å; T256-L260 WeakPolarHBondContact O-CB 3.28Å; T256-L260 WeakPolarHBondContact O-CD1 3.29Å; T256-L260 WeakPolarHBondContact O-CG 3.33Å; T256-L260 PolarHBondContact O-N 2.91Å
257K68.9Low67.4Low164 Ų16449.6 Ų49.671%0.71327%0.272SS*.Hα-helixtrans-60.6-40.3177.9-173.8179.1179.3-175.90111.9A253 E254 G261A253-K257 WeakPolarHBondContact O-CB 3.39Å; A253-K257 PolarHBondContact O-N 3.29Å; E254-K257 PolarHBondContact O-N 3.03Å; K257-G261 PolarHBondContact O-N 3.48Å
258W69.5Low69Low76 Ų7647.9 Ų47.929%0.28826%0.263SS..Hα-helixtrans-68.8-51.4178.8-179.482.3000112.1E254 E255 T256 L260 G261 N262 F377 R716E254-W258 WeakPolarHBondContact O-CB 3.46Å; E254-W258 PolarHBondContact O-N 3.33Å; E255-W258 PolarHBondContact O-N 3.46Å; T256-W258 VanDerWaalsContact C-N 3.3Å; T256-W258 PolarHBondContact O-N 2.85Å; W258-L260 PolarHBondContact O-N 2.97Å; W258-G261 PolarHBondContact O-N 3.4Å; W258-N262 WeakPolarHBondContact CH2-ND2 3.28Å; W258-N262 WeakPolarHBondContact CZ2-ND2 3.08Å; W258-N262 WeakPolarHBondContact CZ3-ND2 3.5Å; W258-N262 PolarHBondContact O-N 2.72Å; W258-N262 VanDerWaalsContact O-N 3.14Å; W258-N262 PolarHBondContact O-ND2 3.09Å; W258-N262 VanDerWaalsContact O-ND2 3.16Å; W258-F377 AromaticContact CH2-CD2 3.62Å; W258-F377 HydrophobicContact CH2-CD2 3.62Å; W258-F377 HydrophobicContact CH2-CE2 4.03Å; W258-F377 AromaticContact CZ2-CD2 3.93Å; W258-F377 HydrophobicContact CZ2-CD2 3.93Å; W258-R716 VanDerWaalsContact CZ3-NH2 3.31Å
259C68.9Low70.5Confident23 Ų2346.5 Ų46.516%0.15526%0.255CS..Hα-helixtrans-60.1-44.9179-730000111.8L205 E255 T256 G261 N262 L263L205-C259 HydrophobicContact CD1-CB 3.92Å; E255-C259 WeakPolarHBondContact O-CB 3.49Å; E255-C259 PolarHBondContact O-N 3.43Å; E255-C259 PolarHBondContact O-SG 3.32Å; E255-C259 VanDerWaalsContact O-SG 3.36Å; T256-C259 PolarHBondContact O-N 2.88Å; C259-G261 VanDerWaalsContact C-N 3.34Å; C259-N262 PolarHBondContact O-N 2.85Å; C259-L263 PolarHBondContact O-N 3.47Å; C259-L263 VanDerWaalsContact O-N 3.08Å
260L73Confident72.2Confident17 Ų1739.5 Ų39.59%0.08921%0.213CC..Hα-helixtrans-65.6-37.7177.4-68.9171.6000111.8L243 L248 T256 W258 N262 L263 R264L243-L260 HydrophobicContact CB-CD2 4.18Å; L243-L260 HydrophobicContact CD1-CD2 4.35Å; L243-L260 HydrophobicContact CD2-CD2 3.91Å; L243-L260 HydrophobicContact CG-CD2 4.38Å; L248-L260 HydrophobicContact CD1-CD1 3.85Å; T256-L260 VanDerWaalsContact O-CB 3.23Å; T256-L260 WeakPolarHBondContact O-CB 3.28Å; T256-L260 WeakPolarHBondContact O-CD1 3.29Å; T256-L260 WeakPolarHBondContact O-CG 3.33Å; T256-L260 PolarHBondContact O-N 2.91Å; W258-L260 PolarHBondContact O-N 2.97Å; L260-N262 VanDerWaalsContact C-N 3.34Å; L260-N262 PolarHBondContact O-N 2.84Å; L260-L263 PolarHBondContact O-N 3.38Å; L260-R264 WeakPolarHBondContact O-CB 3.43Å; L260-R264 WeakPolarHBondContact O-CG 3.33Å; L260-R264 PolarHBondContact O-N 2.81Å
261G75.8Confident73.7Confident14 Ų1436.9 Ų36.914%0.14419%0.194CC..Hα-helixtrans-58.4-44.3175.300000112.6K257 W258 C259 S265 Q373K257-G261 PolarHBondContact O-N 3.48Å; W258-G261 PolarHBondContact O-N 3.4Å; C259-G261 VanDerWaalsContact C-N 3.34Å; G261-S265 WeakPolarHBondContact O-CB 3.2Å; G261-S265 PolarHBondContact O-N 2.89Å; G261-S265 PolarHBondContact O-OG 3.06Å; G261-S265 VanDerWaalsContact O-OG 3.09Å; G261-Q373 PolarHBondContact O-OE1 3.35Å
262N77.1Confident75.2Confident2 Ų236.2 Ų36.21%0.01119%0.191CC..Hα-helixtrans-70.7-43.1179.8-58.4-35.9000112.7W258 C259 L260 R264 S265 L266 F377W258-N262 WeakPolarHBondContact CH2-ND2 3.28Å; W258-N262 WeakPolarHBondContact CZ2-ND2 3.08Å; W258-N262 WeakPolarHBondContact CZ3-ND2 3.5Å; W258-N262 PolarHBondContact O-N 2.72Å; W258-N262 VanDerWaalsContact O-N 3.14Å; W258-N262 PolarHBondContact O-ND2 3.09Å; W258-N262 VanDerWaalsContact O-ND2 3.16Å; C259-N262 PolarHBondContact O-N 2.85Å; L260-N262 VanDerWaalsContact C-N 3.34Å; L260-N262 PolarHBondContact O-N 2.84Å; N262-R264 VanDerWaalsContact C-N 3.3Å; N262-R264 PolarHBondContact O-N 3.5Å; N262-S265 PolarHBondContact O-N 2.94Å; N262-S265 VanDerWaalsContact O-N 3.16Å; N262-L266 WeakPolarHBondContact O-CG 3.41Å; N262-L266 PolarHBondContact O-N 3.38Å; N262-F377 HydrophobicContact CB-CD2 3.85Å; N262-F377 HydrophobicContact CB-CE2 4.12Å; N262-F377 HydrophobicContact CB-CG 4.06Å; N262-F377 WeakPolarHBondContact ND2-CD2 3.48Å
263L79.7Confident76.5Confident5 Ų533.9 Ų33.93%0.02617%0.174CC..Hα-helixtrans-56.8-47.3175.4-78.1170.4000110.7L205 Q208 A209 L212 C259 L260 S265 L266 E267L205-L263 HydrophobicContact CB-CD1 4.08Å; L205-L263 HydrophobicContact CD2-CD1 3.61Å; L205-L263 HydrophobicContact CG-CD1 4.39Å; Q208-L263 HydrophobicContact CB-CD2 3.75Å; A209-L263 HydrophobicContact CB-CD2 3.63Å; L212-L263 HydrophobicContact CD1-CD2 4Å; C259-L263 PolarHBondContact O-N 3.47Å; C259-L263 VanDerWaalsContact O-N 3.08Å; L260-L263 PolarHBondContact O-N 3.38Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 2.86Å; L263-L266 PolarHBondContact O-N 3.39Å; L263-L266 VanDerWaalsContact O-N 3.17Å; L263-E267 WeakPolarHBondContact O-CG 3.4Å; L263-E267 PolarHBondContact O-N 2.89Å
264R78.8Confident77.9Confident38 Ų3830 Ų3014%0.14314%0.141CC..Hα-helixtrans-62.3-39.3176.9-67.8177.7-176.4-175.60.5112.3Y241 E244 L260 N262 E267 N268Y241-R264 HydrophobicContact CD1-CG 4.42Å; Y241-R264 HydrophobicContact CE1-CG 3.99Å; E244-R264 IonicContact OE1-NH2 2.76Å; L260-R264 WeakPolarHBondContact O-CB 3.43Å; L260-R264 WeakPolarHBondContact O-CG 3.33Å; L260-R264 PolarHBondContact O-N 2.81Å; N262-R264 VanDerWaalsContact C-N 3.3Å; N262-R264 PolarHBondContact O-N 3.5Å; R264-E267 PolarHBondContact O-N 3.29Å; R264-N268 WeakPolarHBondContact O-CB 3.46Å; R264-N268 VanDerWaalsContact O-CG 3.32Å; R264-N268 PolarHBondContact O-N 3.44Å
265S82.6Confident78.9Confident4 Ų422.6 Ų22.63%0.02811%0.107CC..Hα-helixtrans-66.2-35.7175.6-68.10000112.5G261 N262 L263 N268 L269 C370 Q373G261-S265 WeakPolarHBondContact O-CB 3.2Å; G261-S265 PolarHBondContact O-N 2.89Å; G261-S265 PolarHBondContact O-OG 3.06Å; G261-S265 VanDerWaalsContact O-OG 3.09Å; N262-S265 PolarHBondContact O-N 2.94Å; N262-S265 VanDerWaalsContact O-N 3.16Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 2.86Å; S265-N268 WeakPolarHBondContact O-CB 3.5Å; S265-L269 PolarHBondContact O-N 3.19Å; S265-C370 PolarHBondContact O-SG 3.38Å; S265-Q373 PolarHBondContact OG-OE1 2.94Å
266L85.3Confident79.8Confident1 Ų118.3 Ų18.31%0.0059%0.087CC..Hα-helixtrans-71.8-40.2173.7-72.7173.1000112.9A209 L212 N262 L263 N268 L269 L270 L374 F377 L378A209-L266 HydrophobicContact CB-CD1 3.78Å; L212-L266 HydrophobicContact CB-CB 4.13Å; L212-L266 HydrophobicContact CB-CD1 4.35Å; L212-L266 HydrophobicContact CD1-CB 3.9Å; N262-L266 WeakPolarHBondContact O-CG 3.41Å; N262-L266 PolarHBondContact O-N 3.38Å; L263-L266 PolarHBondContact O-N 3.39Å; L263-L266 VanDerWaalsContact O-N 3.17Å; L266-N268 VanDerWaalsContact C-N 3.3Å; L266-N268 PolarHBondContact O-N 3.42Å; L266-L269 WeakPolarHBondContact O-CB 3.26Å; L266-L269 PolarHBondContact O-N 3.35Å; L266-L269 VanDerWaalsContact O-N 3.17Å; L266-L270 WeakPolarHBondContact O-CB 3.45Å; L266-L270 PolarHBondContact O-N 2.96Å; L266-L374 HydrophobicContact CD2-CD2 3.66Å; L266-L374 HydrophobicContact CG-CD2 3.99Å; L266-F377 HydrophobicContact CD1-CD1 4.36Å; L266-F377 HydrophobicContact CD1-CE1 3.67Å; L266-F377 HydrophobicContact CD1-CZ 4.25Å; L266-F377 HydrophobicContact CG-CE1 4.46Å; L266-L378 HydrophobicContact CD2-CD1 4.31Å; L266-L378 HydrophobicContact CD2-CD2 3.98Å; L266-L378 HydrophobicContact CD2-CG 4.45Å
267E84.3Confident80.8Confident3 Ų317.8 Ų17.81%0.0148%0.084CC..Hα-helixtrans-59.5-45.1172.8-72177.3150.400110.1Y183 L212 F236 L263 R264 L269 L270 F271Y183-E267 PolarHBondContact OH-OE1 3.29Å; L212-E267 HydrophobicContact CD1-CG 3.74Å; L212-E267 HydrophobicContact CD2-CG 4.23Å; F236-E267 HydrophobicContact CE1-CG 4.12Å; F236-E267 HydrophobicContact CZ-CG 4.43Å; L263-E267 WeakPolarHBondContact O-CG 3.4Å; L263-E267 PolarHBondContact O-N 2.89Å; R264-E267 PolarHBondContact O-N 3.29Å; E267-L269 VanDerWaalsContact C-N 3.34Å; E267-L269 PolarHBondContact O-N 3.1Å; E267-L270 WeakPolarHBondContact O-CB 3.44Å; E267-L270 PolarHBondContact O-N 3.41Å; E267-F271 WeakPolarHBondContact O-CD2 3.5Å; E267-F271 PolarHBondContact O-N 3.48Å
268N85.9Confident81.3Confident5 Ų512 Ų123%0.0276%0.059CC..Hα-helixtrans-57.5-45.5172.2-79.5-18.4000112.2R264 S265 L266 L270 F271 M272 L318 H319 V322R264-N268 WeakPolarHBondContact O-CB 3.46Å; R264-N268 VanDerWaalsContact O-CG 3.32Å; R264-N268 PolarHBondContact O-N 3.44Å; S265-N268 WeakPolarHBondContact O-CB 3.5Å; L266-N268 VanDerWaalsContact C-N 3.3Å; L266-N268 PolarHBondContact O-N 3.42Å; N268-L270 VanDerWaalsContact C-N 3.34Å; N268-L270 PolarHBondContact O-N 3.13Å; N268-F271 PolarHBondContact O-N 3Å; N268-M272 WeakPolarHBondContact O-CB 3.38Å; N268-M272 VanDerWaalsContact O-CG 3.25Å; N268-M272 WeakPolarHBondContact O-CG 3.24Å; N268-M272 PolarHBondContact O-N 3.45Å; N268-L318 PolarHBondContact ND2-O 2.89Å; N268-H319 PolarHBondContact OD1-CD2 3.29Å; N268-V322 HydrophobicContact CB-CG2 4.19Å; N268-V322 WeakPolarHBondContact OD1-CG2 3.35Å
269L87.9Confident81.7Confident0 Ų09.8 Ų9.80%05%0.053CC..Hα-helixtrans-61.8-41.8177.3-178.562.9000112.1V216 S265 L266 E267 M272 K273 L374 M385 A386V216-L269 HydrophobicContact CG1-CD2 4.05Å; V216-L269 HydrophobicContact CG1-CG 4.15Å; V216-L269 HydrophobicContact CG2-CD2 4.45Å; V216-L269 HydrophobicContact CG2-CG 4.35Å; S265-L269 PolarHBondContact O-N 3.19Å; L266-L269 WeakPolarHBondContact O-CB 3.26Å; L266-L269 PolarHBondContact O-N 3.35Å; L266-L269 VanDerWaalsContact O-N 3.17Å; E267-L269 VanDerWaalsContact C-N 3.34Å; E267-L269 PolarHBondContact O-N 3.1Å; L269-M272 HydrophobicContact CB-CE 4.22Å; L269-M272 HydrophobicContact CD1-CE 4.02Å; L269-M272 PolarHBondContact O-N 3.31Å; L269-K273 WeakPolarHBondContact O-CB 3.37Å; L269-K273 PolarHBondContact O-N 3.38Å; L269-L374 HydrophobicContact CB-CD1 4.4Å; L269-L374 HydrophobicContact CD2-CD1 4.06Å; L269-M385 HydrophobicContact CD2-CE 4.3Å; L269-A386 HydrophobicContact CD1-CB 3.78Å; L269-A386 HydrophobicContact CD2-CB 3.73Å; L269-A386 HydrophobicContact CG-CB 4.43Å
270L88Confident82.1Confident1 Ų18.9 Ų8.91%0.0055%0.047CC..Hα-helixtrans-60.1-46.8175.1-179.364.3000111.1L212 L215 V216 F219 T232 F236 L266 E267 N268 M272 K273 M274L212-L270 HydrophobicContact CD2-CD2 3.86Å; L215-L270 HydrophobicContact CB-CD1 4Å; L215-L270 HydrophobicContact CD1-CD2 4.35Å; V216-L270 HydrophobicContact CG2-CB 3.97Å; V216-L270 HydrophobicContact CG2-CD1 4.04Å; F219-L270 HydrophobicContact CD2-CD1 3.48Å; F219-L270 VanDerWaalsContact CD2-CD1 3.48Å; F219-L270 HydrophobicContact CE2-CD1 3.73Å; T232-L270 HydrophobicContact CG2-CD2 4.26Å; F236-L270 HydrophobicContact CE2-CD2 4.31Å; F236-L270 HydrophobicContact CZ-CD2 4.33Å; L266-L270 WeakPolarHBondContact O-CB 3.45Å; L266-L270 PolarHBondContact O-N 2.96Å; E267-L270 WeakPolarHBondContact O-CB 3.44Å; E267-L270 PolarHBondContact O-N 3.41Å; N268-L270 VanDerWaalsContact C-N 3.34Å; N268-L270 PolarHBondContact O-N 3.13Å; L270-M272 PolarHBondContact O-N 3.37Å; L270-K273 PolarHBondContact O-N 3.33Å; L270-M274 HydrophobicContact CD1-CE 4.2Å; L270-M274 HydrophobicContact CD2-CE 4.4Å; L270-M274 HydrophobicContact CG-CE 4.13Å; L270-M274 HydrophobicContact CG-SD 4.49Å; L270-M274 WeakPolarHBondContact O-CB 3.44Å; L270-M274 VanDerWaalsContact O-CG 3.3Å; L270-M274 WeakPolarHBondContact O-CG 3.41Å; L270-M274 PolarHBondContact O-N 3.23Å
271F86.3Confident82.4Confident1 Ų18.5 Ų8.50%0.0045%0.046CC..Hα-helixtrans-62.4-42175.3-78.8-66.3000112.7L233 F236 E267 N268 K273 M274 C275 V309 M310 L313 V322L233-F271 HydrophobicContact CD2-CD1 4.31Å; L233-F271 HydrophobicContact CD2-CE1 3.94Å; F236-F271 HydrophobicContact CB-CE1 4.49Å; F236-F271 HydrophobicContact CB-CZ 3.71Å; F236-F271 HydrophobicContact CD1-CE2 4.18Å; F236-F271 AromaticContact CD1-CZ 3.99Å; F236-F271 HydrophobicContact CD1-CZ 3.99Å; F236-F271 AromaticContact CD2-CE1 3.95Å; F236-F271 HydrophobicContact CD2-CE1 3.95Å; F236-F271 HydrophobicContact CD2-CE2 4.15Å; F236-F271 AromaticContact CD2-CZ 3.41Å; F236-F271 HydrophobicContact CD2-CZ 3.41Å; F236-F271 VanDerWaalsContact CD2-CZ 3.41Å; F236-F271 HydrophobicContact CE1-CE2 4.35Å; F236-F271 HydrophobicContact CE1-CZ 4.46Å; F236-F271 HydrophobicContact CE2-CE1 4.49Å; F236-F271 HydrophobicContact CE2-CE2 4.32Å; F236-F271 AromaticContact CE2-CZ 3.96Å; F236-F271 HydrophobicContact CE2-CZ 3.96Å; F236-F271 HydrophobicContact CG-CE1 4.33Å; F236-F271 HydrophobicContact CG-CE2 4.08Å; F236-F271 AromaticContact CG-CZ 3.43Å; F236-F271 HydrophobicContact CG-CZ 3.43Å; F236-F271 VanDerWaalsContact CG-CZ 3.43Å; F236-F271 HydrophobicContact CZ-CE2 4.41Å; F236-F271 HydrophobicContact CZ-CZ 4.45Å; E267-F271 WeakPolarHBondContact O-CD2 3.5Å; E267-F271 PolarHBondContact O-N 3.48Å; N268-F271 PolarHBondContact O-N 3Å; F271-K273 VanDerWaalsContact C-N 3.32Å; F271-K273 PolarHBondContact O-N 3.32Å; F271-M274 PolarHBondContact O-N 3.11Å; F271-C275 PolarHBondContact O-N 3.34Å; F271-C275 VanDerWaalsContact O-N 3.1Å; F271-C275 PolarHBondContact O-SG 2.9Å; F271-V309 HydrophobicContact CE1-CG1 4.46Å; F271-M310 HydrophobicContact CD1-CE 3.6Å; F271-M310 HydrophobicContact CE1-CE 3.99Å; F271-M310 HydrophobicContact CG-CE 4.27Å; F271-L313 HydrophobicContact CZ-CD1 4.4Å; F271-V322 HydrophobicContact CB-CB 4.44Å; F271-V322 HydrophobicContact CB-CG1 3.65Å; F271-V322 HydrophobicContact CB-CG2 3.88Å; F271-V322 HydrophobicContact CG-CG1 4.14Å
272M87.3Confident82.4Confident3 Ų310.9 Ų10.92%0.0156%0.055CC..Hα-helixtrans-60.4-42.9176-74.4-173.6-62.100110.9N268 L269 L270 C275 A321 F325 T389 V390N268-M272 WeakPolarHBondContact O-CB 3.38Å; N268-M272 VanDerWaalsContact O-CG 3.25Å; N268-M272 WeakPolarHBondContact O-CG 3.24Å; N268-M272 PolarHBondContact O-N 3.45Å; L269-M272 HydrophobicContact CB-CE 4.22Å; L269-M272 HydrophobicContact CD1-CE 4.02Å; L269-M272 PolarHBondContact O-N 3.31Å; L270-M272 PolarHBondContact O-N 3.37Å; M272-C275 WeakPolarHBondContact O-CB 3.31Å; M272-C275 PolarHBondContact O-N 3.24Å; M272-A321 HydrophobicContact SD-CB 4.16Å; M272-F325 HydrophobicContact CB-CD1 3.57Å; M272-F325 HydrophobicContact CB-CE1 3.58Å; M272-F325 HydrophobicContact CB-CG 4.29Å; M272-F325 HydrophobicContact CB-CZ 4.28Å; M272-F325 HydrophobicContact CG-CB 4.49Å; M272-F325 HydrophobicContact CG-CD1 3.59Å; M272-F325 HydrophobicContact CG-CD2 4.14Å; M272-F325 HydrophobicContact CG-CE1 3.68Å; M272-F325 HydrophobicContact CG-CE2 4.2Å; M272-F325 HydrophobicContact CG-CG 3.82Å; M272-F325 HydrophobicContact CG-CZ 3.95Å; M272-F325 HydrophobicContact SD-CD1 4.29Å; M272-F325 HydrophobicContact SD-CD2 4.2Å; M272-F325 HydrophobicContact SD-CE1 3.85Å; M272-F325 HydrophobicContact SD-CE2 3.73Å; M272-F325 HydrophobicContact SD-CG 4.44Å; M272-F325 HydrophobicContact SD-CZ 3.51Å; M272-F325 VanDerWaalsContact SD-CZ 3.51Å; M272-T389 HydrophobicContact CB-CG2 4.47Å; M272-V390 HydrophobicContact CE-CG2 4.33Å; M272-V390 HydrophobicContact SD-CG2 4.3Å
273K86.6Confident82.2Confident6 Ų614.1 Ų14.13%0.0267%0.067CC..Hα-helixtrans-67.9-42.6176.9-163.373-169.4-1780112.2F219 H220 M224 L269 L270 F271 C275 S276 E278 T389F219-K273 HydrophobicContact CB-CG 4.05Å; H220-K273 PolarHBondContact ND1-NZ 3.16Å; M224-K273 WeakPolarHBondContact CE-O 3.48Å; L269-K273 WeakPolarHBondContact O-CB 3.37Å; L269-K273 PolarHBondContact O-N 3.38Å; L270-K273 PolarHBondContact O-N 3.33Å; F271-K273 VanDerWaalsContact C-N 3.32Å; F271-K273 PolarHBondContact O-N 3.32Å; K273-C275 PolarHBondContact O-N 3.5Å; K273-S276 PolarHBondContact O-N 3.03Å; K273-E278 IonicContact NZ-OE1 3.92Å; K273-E278 PolarHBondContact NZ-OE1 3.3Å; K273-E278 IonicContact NZ-OE2 3.21Å; K273-E278 PolarHBondContact NZ-OE2 3.41Å; K273-T389 HydrophobicContact CD-CG2 4.21Å; K273-T389 PolarHBondContact NZ-OG1 3.14Å
274M84.3Confident81.9Confident0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-56.9-34.1175-78.3-179169.200112.6F219 I229 T232 L233 L270 F271 S276 W297 F306F219-M274 HydrophobicContact CD2-CE 4.46Å; F219-M274 HydrophobicContact CE1-CE 4.19Å; F219-M274 HydrophobicContact CE2-CE 3.69Å; F219-M274 HydrophobicContact CZ-CE 3.52Å; I229-M274 HydrophobicContact CG2-SD 4.48Å; T232-M274 VanDerWaalsContact CB-CE 3.4Å; T232-M274 HydrophobicContact CG2-CE 3.33Å; L233-M274 HydrophobicContact CD2-SD 4Å; L233-M274 HydrophobicContact CG-SD 4.38Å; L270-M274 HydrophobicContact CD1-CE 4.2Å; L270-M274 HydrophobicContact CD2-CE 4.4Å; L270-M274 HydrophobicContact CG-CE 4.13Å; L270-M274 HydrophobicContact CG-SD 4.49Å; L270-M274 WeakPolarHBondContact O-CB 3.44Å; L270-M274 VanDerWaalsContact O-CG 3.3Å; L270-M274 WeakPolarHBondContact O-CG 3.41Å; L270-M274 PolarHBondContact O-N 3.23Å; F271-M274 PolarHBondContact O-N 3.11Å; M274-S276 PolarHBondContact O-N 3.22Å; M274-S276 PolarHBondContact O-OG 2.93Å; M274-W297 WeakPolarHBondContact O-CH2 3.35Å; M274-W297 WeakPolarHBondContact O-CZ2 3.18Å; M274-F306 HydrophobicContact CB-CE2 4.47Å
275C83.6Confident81.4Confident0 Ų019.2 Ų19.20%010%0.1CC..THydrogen-bonded Turntrans-63-9.5175.8-66.70000113.6F271 M272 K273 I277 F325 N329F271-C275 PolarHBondContact O-N 3.34Å; F271-C275 VanDerWaalsContact O-N 3.1Å; F271-C275 PolarHBondContact O-SG 2.9Å; M272-C275 WeakPolarHBondContact O-CB 3.31Å; M272-C275 PolarHBondContact O-N 3.24Å; K273-C275 PolarHBondContact O-N 3.5Å; C275-I277 HydrophobicContact CB-CG1 4.24Å; C275-I277 PolarHBondContact O-N 3.35Å; C275-I277 VanDerWaalsContact O-N 3.07Å; C275-F325 HydrophobicContact CB-CB 4.36Å; C275-N329 HydrophobicContact CB-CB 4.4Å; C275-N329 PolarHBondContact O-ND2 3.08Å
276S80Confident80.5Confident4 Ų424.8 Ų24.83%0.02813%0.129CC..THydrogen-bonded Turntrans55.231.9168.5-48.80000115.6M224 K273 M274 E278 N279 L280 W297M224-S276 VanDerWaalsContact CE-CB 3.45Å; M224-S276 WeakPolarHBondContact CE-OG 3.48Å; M224-S276 PolarHBondContact SD-OG 2.91Å; K273-S276 PolarHBondContact O-N 3.03Å; M274-S276 PolarHBondContact O-N 3.22Å; M274-S276 PolarHBondContact O-OG 2.93Å; S276-E278 VanDerWaalsContact C-N 3.26Å; S276-E278 PolarHBondContact O-N 2.91Å; S276-N279 PolarHBondContact O-N 2.97Å; S276-L280 WeakPolarHBondContact O-CG 3.12Å; S276-L280 PolarHBondContact O-N 3.33Å; S276-W297 VanDerWaalsContact OG-CZ2 3.31Å; S276-W297 WeakPolarHBondContact OG-CZ2 3.3Å; S276-W297 PolarHBondContact OG-NE1 3.15Å
277I83.8Confident79.2Confident7 Ų731.6 Ų31.64%0.03616%0.161CC..Hα-helixtrans-61.6-36.8-175-61.2176.8000111.4C275 N279 L280 A281 F325 V328 M332 V392 A393 Q396C275-I277 HydrophobicContact CB-CG1 4.24Å; C275-I277 PolarHBondContact O-N 3.35Å; C275-I277 VanDerWaalsContact O-N 3.07Å; I277-N279 PolarHBondContact O-N 3.45Å; I277-L280 PolarHBondContact O-N 3.11Å; I277-A281 WeakPolarHBondContact O-CB 3.46Å; I277-A281 PolarHBondContact O-N 3.47Å; I277-F325 HydrophobicContact CD1-CB 3.87Å; I277-F325 HydrophobicContact CD1-CD1 3.37Å; I277-F325 HydrophobicContact CD1-CE1 4.05Å; I277-F325 HydrophobicContact CD1-CG 3.71Å; I277-F325 HydrophobicContact CG1-CD1 4.44Å; I277-V328 HydrophobicContact CD1-CB 4.26Å; I277-V328 HydrophobicContact CD1-CG1 4.08Å; I277-V328 HydrophobicContact CG2-CG1 4.24Å; I277-M332 HydrophobicContact CG2-CE 4.29Å; I277-M332 HydrophobicContact CG2-SD 3.81Å; I277-V392 HydrophobicContact CG2-CG1 4.47Å; I277-A393 HydrophobicContact CD1-CB 3.71Å; I277-A393 HydrophobicContact CG2-CB 4.43Å; I277-Q396 HydrophobicContact CG2-CB 4.42Å; I277-Q396 HydrophobicContact CG2-CG 3.96Å
278E79Confident78Confident43 Ų4334 Ų3420%0.20117%0.174CC..Hα-helixtrans-54.5-51.7177.1-67.7166.2-157.400112.2K273 S276 L280 A281 L282 T389 V392K273-E278 IonicContact NZ-OE1 3.92Å; K273-E278 PolarHBondContact NZ-OE1 3.3Å; K273-E278 IonicContact NZ-OE2 3.21Å; K273-E278 PolarHBondContact NZ-OE2 3.41Å; S276-E278 VanDerWaalsContact C-N 3.26Å; S276-E278 PolarHBondContact O-N 2.91Å; E278-L280 PolarHBondContact O-N 2.75Å; E278-A281 WeakPolarHBondContact O-CB 3.45Å; E278-A281 PolarHBondContact O-N 3.01Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 3.16Å; E278-T389 VanDerWaalsContact OE1-CA 3.3Å; E278-T389 WeakPolarHBondContact OE1-CA 3.28Å; E278-T389 WeakPolarHBondContact OE1-CB 3.44Å; E278-T389 PolarHBondContact OE1-OG1 3.29Å; E278-V392 HydrophobicContact CG-CB 4.08Å; E278-V392 HydrophobicContact CG-CG1 4.08Å; E278-V392 HydrophobicContact CG-CG2 4.12Å
279N77.3Confident76.3Confident29 Ų2942.2 Ų42.216%0.15521%0.212CC..Hα-helixtrans-70.7-33.4-178.2-69.2-20.3000112.8S276 I277 R283 F294S276-N279 PolarHBondContact O-N 2.97Å; I277-N279 PolarHBondContact O-N 3.45Å; N279-R283 PolarHBondContact O-N 3.47Å; N279-F294 HydrophobicContact CB-CD1 3.91Å; N279-F294 HydrophobicContact CB-CE1 3.17Å; N279-F294 HydrophobicContact CB-CZ 3.52Å; N279-F294 WeakPolarHBondContact ND2-CE1 3.17Å
280L78.4Confident74.7Confident4 Ų446 Ų462%0.02125%0.251CS..Hα-helixtrans-68.3-36.4173.5-67.4173.7000111.6S276 I277 E278 R283 L284 N329 M332 I336S276-L280 WeakPolarHBondContact O-CG 3.12Å; S276-L280 PolarHBondContact O-N 3.33Å; I277-L280 PolarHBondContact O-N 3.11Å; E278-L280 PolarHBondContact O-N 2.75Å; L280-R283 PolarHBondContact O-N 2.7Å; L280-L284 PolarHBondContact O-N 3.04Å; L280-L284 VanDerWaalsContact O-N 3.1Å; L280-N329 HydrophobicContact CD1-CB 4.38Å; L280-N329 WeakPolarHBondContact CD1-ND2 3.07Å; L280-M332 VanDerWaalsContact C-CE 3.49Å; L280-M332 HydrophobicContact CB-CB 4.42Å; L280-M332 HydrophobicContact CB-CE 3.75Å; L280-M332 HydrophobicContact CB-SD 4.32Å; L280-I336 HydrophobicContact CB-CD1 4.46Å; L280-I336 HydrophobicContact CD2-CD1 3.89Å
281A77.7Confident73.1Confident8 Ų847.9 Ų47.97%0.06626%0.264CS..Hα-helixtrans-65.7-47177.700000111.1I277 E278 R283 L284 T285 M332 V392 Q396I277-A281 WeakPolarHBondContact O-CB 3.46Å; I277-A281 PolarHBondContact O-N 3.47Å; E278-A281 WeakPolarHBondContact O-CB 3.45Å; E278-A281 PolarHBondContact O-N 3.01Å; A281-R283 PolarHBondContact O-N 3.39Å; A281-L284 PolarHBondContact O-N 2.84Å; A281-L284 VanDerWaalsContact O-N 3.11Å; A281-T285 PolarHBondContact O-N 3.04Å; A281-T285 VanDerWaalsContact O-N 3.13Å; A281-T285 PolarHBondContact O-OG1 3.35Å; A281-M332 HydrophobicContact CB-CE 3.74Å; A281-V392 HydrophobicContact CB-CG1 4.2Å; A281-Q396 HydrophobicContact CB-CG 4.13Å
282L76.3Confident71.7Confident65 Ų6554.3 Ų54.334%0.3430%0.298SS..Hα-helixtrans-60.6-29.5176.1-72.5171.7000113E278 T285 E287 L288E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 3.16Å; L282-T285 WeakPolarHBondContact CA-OG1 3.27Å; L282-T285 PolarHBondContact O-OG1 3.02Å; L282-T285 VanDerWaalsContact O-OG1 3.06Å; L282-E287 WeakPolarHBondContact CD2-OE2 3.22Å; L282-E287 PolarHBondContact O-N 3.36Å; L282-E287 VanDerWaalsContact O-N 3.13Å; L282-L288 HydrophobicContact CB-CD1 3.4Å; L282-L288 HydrophobicContact CB-CG 4.07Å; L282-L288 HydrophobicContact CD1-CD1 3.96Å; L282-L288 HydrophobicContact CG-CD1 4.33Å
283R73.2Confident70.5Confident70 Ų7055.5 Ų55.526%0.26431%0.307SS..Hα-helixtrans-75.2-38.4174.3-171.7166.1-179.8144.6-4.3112.5N279 L280 A281 T285 N286N279-R283 PolarHBondContact O-N 3.47Å; L280-R283 PolarHBondContact O-N 2.7Å; A281-R283 PolarHBondContact O-N 3.39Å; R283-T285 VanDerWaalsContact C-N 3.25Å; R283-T285 PolarHBondContact O-N 3.18Å; R283-N286 PolarHBondContact O-N 3.31Å; R283-N286 VanDerWaalsContact O-N 3.13Å
284L72.6Confident69.5Low62 Ų6255.7 Ų55.733%0.32531%0.308SS..Hα-helixtrans-64.6-29.9175.1-81160.2000112.5L280 A281 N286 M332 L335 I336L280-L284 PolarHBondContact O-N 3.04Å; L280-L284 VanDerWaalsContact O-N 3.1Å; A281-L284 PolarHBondContact O-N 2.84Å; A281-L284 VanDerWaalsContact O-N 3.11Å; L284-N286 VanDerWaalsContact C-N 3.27Å; L284-N286 PolarHBondContact O-N 2.81Å; L284-M332 HydrophobicContact CD1-CB 3.92Å; L284-M332 HydrophobicContact CD1-CE 3.47Å; L284-M332 VanDerWaalsContact CD1-CE 3.47Å; L284-M332 HydrophobicContact CD1-CG 3.84Å; L284-L335 HydrophobicContact CD2-CB 4.05Å; L284-I336 HydrophobicContact CD2-CG1 3.79Å; L284-I336 HydrophobicContact CG-CD1 4.18Å; L284-I336 HydrophobicContact CG-CG1 3.81Å
285T69.3Low68.8Low87 Ų8759 Ų5953%0.53433%0.326SS..THydrogen-bonded Turntrans-83.13.8174.555.70000113.9A281 L282 R283 E287A281-T285 PolarHBondContact O-N 3.04Å; A281-T285 VanDerWaalsContact O-N 3.13Å; A281-T285 PolarHBondContact O-OG1 3.35Å; L282-T285 WeakPolarHBondContact CA-OG1 3.27Å; L282-T285 PolarHBondContact O-OG1 3.02Å; L282-T285 VanDerWaalsContact O-OG1 3.06Å; R283-T285 VanDerWaalsContact C-N 3.25Å; R283-T285 PolarHBondContact O-N 3.18Å; T285-E287 VanDerWaalsContact C-N 3.28Å; T285-E287 PolarHBondContact O-N 3.33Å
286N63Low68.3Low121 Ų12160.5 Ų60.565%0.64733%0.332SS*.THydrogen-bonded Turntrans60.822.3-177.7-68.9-21.3000115.7R283 L284R283-N286 PolarHBondContact O-N 3.31Å; R283-N286 VanDerWaalsContact O-N 3.13Å; L284-N286 VanDerWaalsContact C-N 3.27Å; L284-N286 PolarHBondContact O-N 2.81Å
287E58.6Low68.1Low144 Ų14460.4 Ų60.467%0.67333%0.331SS*.  trans-82.8-21.5178.2-66-172.9164.300113L282 T285L282-E287 WeakPolarHBondContact CD2-OE2 3.22Å; L282-E287 PolarHBondContact O-N 3.36Å; L282-E287 VanDerWaalsContact O-N 3.13Å; T285-E287 VanDerWaalsContact C-N 3.28Å; T285-E287 PolarHBondContact O-N 3.33Å
288L58.2Low67.6Low55 Ų5562.3 Ų62.329%0.28834%0.341SS..  trans-109.865.2-179.3-74167.8000112.4L282 G290 F294L282-L288 HydrophobicContact CB-CD1 3.4Å; L282-L288 HydrophobicContact CB-CG 4.07Å; L282-L288 HydrophobicContact CD1-CD1 3.96Å; L282-L288 HydrophobicContact CG-CD1 4.33Å; L288-G290 PolarHBondContact O-N 3.46Å; L288-F294 HydrophobicContact CD1-CE2 4.16Å; L288-F294 HydrophobicContact CD1-CZ 4.4Å
289E51.9Low67.5Low177 Ų17762.4 Ų62.483%0.82735%0.347SS*.THydrogen-bonded Turntrans-76.7110.1164.8-71.6-169.2167.200110
290G53.8Low67.3Low79 Ų7964.8 Ų64.881%0.81436%0.357SS*.THydrogen-bonded Turntrans120.47.7166.300000118.5L288L288-G290 PolarHBondContact O-N 3.46Å
291C53.1Low67.1Low41 Ų4170.8 Ų70.828%0.27739%0.389SS..  trans-94.5115.8176.1-135.50000112.3S293 F294C291-S293 PolarHBondContact O-N 2.83Å; C291-S293 PolarHBondContact SG-OG 2.83Å; C291-F294 HydrophobicContact CB-CD2 4.14Å; C291-F294 HydrophobicContact CB-CE2 3.68Å
292D58.3Low67.2Low135 Ų13571.3 Ų71.372%0.72239%0.39SS*.G310 helixtrans-69.7-15.3176.6-78.9-31.5000113.5F294 N295D292-F294 PolarHBondContact O-N 3.28Å; D292-N295 PolarHBondContact O-N 3.46Å; D292-N295 PolarHBondContact OD1-ND2 3.5Å
293S60.8Low67.3Low28 Ų2868.6 Ų68.620%0.19638%0.376CS..G310 helixtrans-60-20.6-173.453.50000113.6C291 H296C291-S293 PolarHBondContact O-N 2.83Å; C291-S293 PolarHBondContact SG-OG 2.83Å; S293-H296 PolarHBondContact O-CE1 3.45Å; S293-H296 PolarHBondContact O-ND1 3.4Å
294F66.2Low67.7Low11 Ų1172.1 Ų72.15%0.04839%0.39CS..G310 helixtrans-94.7-13.2-177.2-51.6-58.4000115.2N279 L288 C291 D292 H296 W297N279-F294 HydrophobicContact CB-CD1 3.91Å; N279-F294 HydrophobicContact CB-CE1 3.17Å; N279-F294 HydrophobicContact CB-CZ 3.52Å; N279-F294 WeakPolarHBondContact ND2-CE1 3.17Å; L288-F294 HydrophobicContact CD1-CE2 4.16Å; L288-F294 HydrophobicContact CD1-CZ 4.4Å; C291-F294 HydrophobicContact CB-CD2 4.14Å; C291-F294 HydrophobicContact CB-CE2 3.68Å; D292-F294 PolarHBondContact O-N 3.28Å; F294-H296 PolarHBondContact O-N 2.88Å; F294-W297 PolarHBondContact O-N 2.84Å
295N68.8Low68Low70 Ų7071.1 Ų71.137%0.37439%0.387SS..G310 helixtrans-62.5-22-171.6-68.9-24.8000112.9D292 W297 L298D292-N295 PolarHBondContact O-N 3.46Å; D292-N295 PolarHBondContact OD1-ND2 3.5Å; N295-W297 VanDerWaalsContact C-N 3.31Å; N295-W297 PolarHBondContact O-N 3.2Å; N295-L298 PolarHBondContact O-N 2.97Å
296H74.1Confident68.6Low31 Ų3167 Ų6714%0.14436%0.362CS..G310 helixtrans-67.3-28.3176.668.8-94000113.2M224 A226 S293 F294 L298 S299 F302M224-H296 PolarHBondContact O-CE1 3.44Å; M224-H296 VanDerWaalsContact O-CE1 3.25Å; A226-H296 HydrophobicContact CB-CB 4.06Å; S293-H296 PolarHBondContact O-CE1 3.45Å; S293-H296 PolarHBondContact O-ND1 3.4Å; F294-H296 PolarHBondContact O-N 2.88Å; H296-L298 VanDerWaalsContact C-N 3.26Å; H296-L298 PolarHBondContact O-N 2.9Å; H296-S299 WeakPolarHBondContact O-CB 3.43Å; H296-S299 PolarHBondContact O-N 2.82Å; H296-S299 VanDerWaalsContact O-N 3.12Å; H296-F302 AromaticContact CD2-CD1 3.66Å; H296-F302 AromaticContact CD2-CE1 3.43Å; H296-F302 VanDerWaalsContact CD2-CE1 3.43Å; H296-F302 WeakPolarHBondContact CD2-CE1 3.42Å; H296-F302 AromaticContact CD2-CZ 3.67Å; H296-F302 AromaticContact NE2-CE1 3.97Å; H296-F302 WeakPolarHBondContact O-CB 3.34Å
297W76.3Confident69.6Low1 Ų164.6 Ų64.60%0.00435%0.347CS..G310 helixtrans-69.5-23.4176.3-69.8112.5000113.5I229 M274 S276 F294 N295 S299 F302 C303 F306 W326 R330I229-W297 HydrophobicContact CD1-CH2 4.46Å; I229-W297 HydrophobicContact CD1-CZ2 3.87Å; M274-W297 WeakPolarHBondContact O-CH2 3.35Å; M274-W297 WeakPolarHBondContact O-CZ2 3.18Å; S276-W297 VanDerWaalsContact OG-CZ2 3.31Å; S276-W297 WeakPolarHBondContact OG-CZ2 3.3Å; S276-W297 PolarHBondContact OG-NE1 3.15Å; F294-W297 PolarHBondContact O-N 2.84Å; N295-W297 VanDerWaalsContact C-N 3.31Å; N295-W297 PolarHBondContact O-N 3.2Å; W297-S299 VanDerWaalsContact C-N 3.31Å; W297-F302 HydrophobicContact CD2-CE1 4.11Å; W297-F302 HydrophobicContact CE3-CD1 4.07Å; W297-F302 AromaticContact CE3-CE1 3.68Å; W297-F302 HydrophobicContact CE3-CE1 3.68Å; W297-F302 AromaticContact CH2-CE1 3.76Å; W297-F302 HydrophobicContact CH2-CE1 3.76Å; W297-F302 HydrophobicContact CH2-CZ 4.38Å; W297-F302 HydrophobicContact CZ2-CE1 4.1Å; W297-F302 HydrophobicContact CZ3-CD1 4.25Å; W297-F302 AromaticContact CZ3-CE1 3.53Å; W297-F302 HydrophobicContact CZ3-CE1 3.53Å; W297-C303 PolarHBondContact O-SG 3.03Å; W297-F306 HydrophobicContact CH2-CD2 4.3Å; W297-F306 HydrophobicContact CH2-CE2 4.13Å; W297-F306 HydrophobicContact CZ3-CD2 4.26Å; W297-F306 HydrophobicContact CZ3-CE2 4.43Å; W297-W326 AromaticContact CZ3-CZ3 3.98Å; W297-W326 HydrophobicContact CZ3-CZ3 3.98Å; W297-R330 PolarHBondContact O-NH1 3.25Å
298L73.8Confident70.7Confident47 Ų4761.4 Ų61.425%0.24633%0.334CS..G310 helixtrans-81-12.9173.7-58.8173.7000112.3N295 H296 C333 A337N295-L298 PolarHBondContact O-N 2.97Å; H296-L298 VanDerWaalsContact C-N 3.26Å; H296-L298 PolarHBondContact O-N 2.9Å; L298-C333 HydrophobicContact CD2-CB 4.48Å; L298-A337 HydrophobicContact CD2-CB 4.46Å
299S76.7Confident71.7Confident46 Ų4658.9 Ų58.932%0.32232%0.321SS..  trans-86.8121.1179.8-1800000111.5H296 W297 N301 F302 C303H296-S299 WeakPolarHBondContact O-CB 3.43Å; H296-S299 PolarHBondContact O-N 2.82Å; H296-S299 VanDerWaalsContact O-N 3.12Å; W297-S299 VanDerWaalsContact C-N 3.31Å; S299-N301 PolarHBondContact O-N 3.5Å; S299-N301 PolarHBondContact OG-N 3.39Å; S299-F302 PolarHBondContact O-N 3.19Å; S299-C303 PolarHBondContact O-N 3.36Å; S299-C303 PolarHBondContact O-SG 3.42Å
300E71.8Confident73Confident79 Ų7950.4 Ų50.437%0.36928%0.281SS..Hα-helixtrans-57.5-31173.8-77.4-164.8-178.500112.9F302 C303 R304E300-F302 VanDerWaalsContact C-N 3.26Å; E300-F302 PolarHBondContact O-N 3.13Å; E300-C303 PolarHBondContact O-N 3.26Å; E300-R304 WeakPolarHBondContact O-CG 3.42Å; E300-R304 PolarHBondContact O-N 3.34Å; E300-R304 IonicContact OE2-CZ 3.28Å; E300-R304 IonicContact OE2-NE 2.76Å; E300-R304 IonicContact OE2-NH2 2.83Å; E300-R304 PolarHBondContact OE2-NH2 2.58Å
301N74.7Confident74.2Confident129 Ų12950 Ų5069%0.6926%0.263SS*.Hα-helixtrans-64.7-32.1-176.8-68.6-22.9000112.5S299 P305S299-N301 PolarHBondContact O-N 3.5Å; S299-N301 PolarHBondContact OG-N 3.39Å; N301-P305 VanDerWaalsContact O-CD 3.25Å; N301-P305 WeakPolarHBondContact O-CD 3.14Å
302F79.8Confident75.3Confident19 Ų1952.1 Ų52.18%0.08328%0.275CS..Hα-helixtrans-82.2-35.6176179.3-99.9000111.8A226 I229 H296 W297 S299 E300 P305A226-F302 HydrophobicContact CB-CD2 3.75Å; A226-F302 HydrophobicContact CB-CE2 3.63Å; A226-F302 HydrophobicContact CB-CZ 4.48Å; I229-F302 HydrophobicContact CB-CE2 4.1Å; I229-F302 HydrophobicContact CB-CZ 3.77Å; I229-F302 HydrophobicContact CD1-CZ 3.74Å; I229-F302 HydrophobicContact CG1-CZ 4.38Å; I229-F302 HydrophobicContact CG2-CE2 4.16Å; I229-F302 HydrophobicContact CG2-CZ 3.57Å; H296-F302 AromaticContact CD2-CD1 3.66Å; H296-F302 AromaticContact CD2-CE1 3.43Å; H296-F302 VanDerWaalsContact CD2-CE1 3.43Å; H296-F302 WeakPolarHBondContact CD2-CE1 3.42Å; H296-F302 AromaticContact CD2-CZ 3.67Å; H296-F302 AromaticContact NE2-CE1 3.97Å; H296-F302 WeakPolarHBondContact O-CB 3.34Å; W297-F302 HydrophobicContact CD2-CE1 4.11Å; W297-F302 HydrophobicContact CE3-CD1 4.07Å; W297-F302 AromaticContact CE3-CE1 3.68Å; W297-F302 HydrophobicContact CE3-CE1 3.68Å; W297-F302 AromaticContact CH2-CE1 3.76Å; W297-F302 HydrophobicContact CH2-CE1 3.76Å; W297-F302 HydrophobicContact CH2-CZ 4.38Å; W297-F302 HydrophobicContact CZ2-CE1 4.1Å; W297-F302 HydrophobicContact CZ3-CD1 4.25Å; W297-F302 AromaticContact CZ3-CE1 3.53Å; W297-F302 HydrophobicContact CZ3-CE1 3.53Å; S299-F302 PolarHBondContact O-N 3.19Å; E300-F302 VanDerWaalsContact C-N 3.26Å; E300-F302 PolarHBondContact O-N 3.13Å; F302-P305 WeakPolarHBondContact O-CD 3.42Å
303C78.2Confident75.9Confident8 Ų846 Ų465%0.05424%0.242CC..Hα-helixtrans-80.3-29.6-171.8-57.50000113.4W297 S299 E300 F306 Q307 W326 R330W297-C303 PolarHBondContact O-SG 3.03Å; S299-C303 PolarHBondContact O-N 3.36Å; S299-C303 PolarHBondContact O-SG 3.42Å; E300-C303 PolarHBondContact O-N 3.26Å; C303-F306 WeakPolarHBondContact O-CB 3.48Å; C303-F306 PolarHBondContact O-N 3.04Å; C303-Q307 WeakPolarHBondContact O-CB 3.27Å; C303-Q307 PolarHBondContact O-N 2.75Å; C303-W326 HydrophobicContact CB-CH2 4.33Å; C303-R330 VanDerWaalsContact SG-CZ 3.54Å; C303-R330 PolarHBondContact SG-NH1 2.72Å; C303-R330 PolarHBondContact SG-NH2 3.13Å
304R81Confident76Confident144 Ų14446.9 Ų46.954%0.54325%0.247SC..Hα-helixtrans-59-50.6177.1-75.9179.4-169.6-176.75.2112.8E300 F306 Q307 D308E300-R304 WeakPolarHBondContact O-CG 3.42Å; E300-R304 PolarHBondContact O-N 3.34Å; E300-R304 IonicContact OE2-CZ 3.28Å; E300-R304 IonicContact OE2-NE 2.76Å; E300-R304 IonicContact OE2-NH2 2.83Å; E300-R304 PolarHBondContact OE2-NH2 2.58Å; R304-F306 VanDerWaalsContact C-N 3.3Å; R304-F306 PolarHBondContact O-N 3.4Å; R304-Q307 PolarHBondContact O-N 3.39Å; R304-D308 VanDerWaalsContact O-CG 3.23Å; R304-D308 PolarHBondContact O-N 3.16Å
305P80.2Confident75.9Confident42 Ų4250.7 Ų50.727%0.27327%0.273SS..Hα-helixtrans-56.2-40.9174.6-2632.3000113.9N301 F302 D308 V309N301-P305 VanDerWaalsContact O-CD 3.25Å; N301-P305 WeakPolarHBondContact O-CD 3.14Å; F302-P305 WeakPolarHBondContact O-CD 3.42Å; P305-D308 PolarHBondContact O-N 3.01Å; P305-V309 WeakPolarHBondContact O-CG2 3.36Å; P305-V309 PolarHBondContact O-N 2.85Å
306F82.4Confident76Confident0 Ų048.9 Ų48.90%027%0.266CS..Hα-helixtrans-62.6-47.4176.9-162.9-69.8000110.8L233 M274 W297 C303 R304 D308 V309 M310 W326L233-F306 HydrophobicContact CD1-CB 4.14Å; L233-F306 HydrophobicContact CD1-CD2 3.33Å; L233-F306 HydrophobicContact CD1-CE2 3.99Å; L233-F306 HydrophobicContact CD1-CG 4.05Å; L233-F306 HydrophobicContact CD2-CD2 3.77Å; L233-F306 HydrophobicContact CD2-CE2 3.68Å; L233-F306 HydrophobicContact CD2-CG 4.44Å; L233-F306 HydrophobicContact CD2-CZ 4.37Å; L233-F306 HydrophobicContact CG-CD2 4.18Å; L233-F306 HydrophobicContact CG-CE2 4.42Å; M274-F306 HydrophobicContact CB-CE2 4.47Å; W297-F306 HydrophobicContact CH2-CD2 4.3Å; W297-F306 HydrophobicContact CH2-CE2 4.13Å; W297-F306 HydrophobicContact CZ3-CD2 4.26Å; W297-F306 HydrophobicContact CZ3-CE2 4.43Å; C303-F306 WeakPolarHBondContact O-CB 3.48Å; C303-F306 PolarHBondContact O-N 3.04Å; R304-F306 VanDerWaalsContact C-N 3.3Å; R304-F306 PolarHBondContact O-N 3.4Å; F306-D308 VanDerWaalsContact C-N 3.33Å; F306-D308 PolarHBondContact O-N 3.26Å; F306-V309 PolarHBondContact O-N 3.21Å; F306-M310 HydrophobicContact CD1-CE 3.98Å; F306-M310 HydrophobicContact CD1-CG 3.69Å; F306-M310 HydrophobicContact CE1-CE 3.15Å; F306-M310 HydrophobicContact CE1-CG 3.65Å; F306-M310 HydrophobicContact CE1-SD 4.1Å; F306-M310 HydrophobicContact CZ-CE 3.52Å; F306-M310 WeakPolarHBondContact O-CG 3.25Å; F306-M310 PolarHBondContact O-N 3.46Å; F306-W326 HydrophobicContact CB-CH2 3.89Å; F306-W326 HydrophobicContact CB-CZ2 4.48Å; F306-W326 HydrophobicContact CB-CZ3 4.27Å; F306-W326 AromaticContact CD1-CD2 3.73Å; F306-W326 HydrophobicContact CD1-CD2 3.73Å; F306-W326 AromaticContact CD1-CE2 3.99Å; F306-W326 AromaticContact CD1-CE3 3.36Å; F306-W326 HydrophobicContact CD1-CE3 3.36Å; F306-W326 AromaticContact CD1-CH2 3.52Å; F306-W326 HydrophobicContact CD1-CH2 3.52Å; F306-W326 AromaticContact CD1-CZ2 3.91Å; F306-W326 HydrophobicContact CD1-CZ2 3.91Å; F306-W326 AromaticContact CD1-CZ3 3.25Å; F306-W326 HydrophobicContact CD1-CZ3 3.25Å; F306-W326 HydrophobicContact CD2-CZ3 4.23Å; F306-W326 AromaticContact CE1-CD2 3.68Å; F306-W326 HydrophobicContact CE1-CD2 3.68Å; F306-W326 AromaticContact CE1-CE3 3.19Å; F306-W326 HydrophobicContact CE1-CE3 3.19Å; F306-W326 HydrophobicContact CE1-CG 4.29Å; F306-W326 HydrophobicContact CE1-CH2 4.24Å; F306-W326 AromaticContact CE1-CZ3 3.52Å; F306-W326 HydrophobicContact CE1-CZ3 3.52Å; F306-W326 HydrophobicContact CE2-CZ3 4.5Å; F306-W326 HydrophobicContact CG-CE3 4.23Å; F306-W326 AromaticContact CG-CH2 3.8Å; F306-W326 HydrophobicContact CG-CH2 3.8Å; F306-W326 HydrophobicContact CG-CZ2 4.5Å; F306-W326 AromaticContact CG-CZ3 3.67Å; F306-W326 HydrophobicContact CG-CZ3 3.67Å; F306-W326 HydrophobicContact CZ-CE3 4Å; F306-W326 HydrophobicContact CZ-CZ3 4.19Å
307Q83.2Confident76.1Confident71 Ų7153.9 Ų53.933%0.33229%0.287SS..Hα-helixtrans-61.3-40.6177.6-176.3173.2-15.100111.9C303 R304 V309 M310 T311 W326 F354C303-Q307 WeakPolarHBondContact O-CB 3.27Å; C303-Q307 PolarHBondContact O-N 2.75Å; R304-Q307 PolarHBondContact O-N 3.39Å; Q307-V309 VanDerWaalsContact C-N 3.34Å; Q307-V309 PolarHBondContact O-N 3.15Å; Q307-M310 PolarHBondContact O-N 3.03Å; Q307-T311 WeakPolarHBondContact O-CG2 3.29Å; Q307-T311 PolarHBondContact O-N 2.89Å; Q307-T311 PolarHBondContact O-OG1 3.48Å; Q307-W326 HydrophobicContact CB-CZ2 4.17Å; Q307-F354 HydrophobicContact CG-CE2 4.39Å; Q307-F354 HydrophobicContact CG-CZ 4.25Å
308D81.6Confident75.9Confident77 Ų7756.8 Ų56.841%0.41230%0.302SS..Hα-helixtrans-58.4-46.6176.5-64.8-25.2000110.8R237 R304 P305 F306 M310 T311 T312R237-D308 IonicContact NH2-OD2 3.57Å; R237-D308 PolarHBondContact NH2-OD2 3.45Å; R304-D308 VanDerWaalsContact O-CG 3.23Å; R304-D308 PolarHBondContact O-N 3.16Å; P305-D308 PolarHBondContact O-N 3.01Å; F306-D308 VanDerWaalsContact C-N 3.33Å; F306-D308 PolarHBondContact O-N 3.26Å; D308-M310 PolarHBondContact O-N 3.15Å; D308-T311 WeakPolarHBondContact CA-OG1 3.38Å; D308-T311 PolarHBondContact O-N 2.75Å; D308-T311 VanDerWaalsContact O-N 3.16Å; D308-T311 PolarHBondContact O-OG1 3.4Å; D308-T312 PolarHBondContact O-N 3Å
309V79.4Confident76.1Confident1 Ų154.6 Ų54.61%0.00629%0.291CS..Hα-helixtrans-64.1-40.3176.4177.30000111.3F236 R237 I240 F271 P305 F306 Q307 T311 T312 L313F236-V309 HydrophobicContact CB-CG1 4.11Å; R237-V309 HydrophobicContact CB-CG2 4.19Å; I240-V309 HydrophobicContact CD1-CG1 4.21Å; F271-V309 HydrophobicContact CE1-CG1 4.46Å; P305-V309 WeakPolarHBondContact O-CG2 3.36Å; P305-V309 PolarHBondContact O-N 2.85Å; F306-V309 PolarHBondContact O-N 3.21Å; Q307-V309 VanDerWaalsContact C-N 3.34Å; Q307-V309 PolarHBondContact O-N 3.15Å; V309-T311 VanDerWaalsContact C-N 3.27Å; V309-T311 PolarHBondContact O-N 2.84Å; V309-T312 PolarHBondContact O-N 2.75Å; V309-T312 PolarHBondContact O-OG1 2.92Å; V309-L313 HydrophobicContact CG1-CD1 4.43Å; V309-L313 WeakPolarHBondContact O-CG 3.5Å; V309-L313 PolarHBondContact O-N 3.42Å; V309-L313 VanDerWaalsContact O-N 3.12Å
310M79.2Confident76.4Confident0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-63.4-34.4174.6-67.3-60.5155.900112.2F271 F306 Q307 D308 L313 V322 Y323 W326 F354F271-M310 HydrophobicContact CD1-CE 3.6Å; F271-M310 HydrophobicContact CE1-CE 3.99Å; F271-M310 HydrophobicContact CG-CE 4.27Å; F306-M310 HydrophobicContact CD1-CE 3.98Å; F306-M310 HydrophobicContact CD1-CG 3.69Å; F306-M310 HydrophobicContact CE1-CE 3.15Å; F306-M310 HydrophobicContact CE1-CG 3.65Å; F306-M310 HydrophobicContact CE1-SD 4.1Å; F306-M310 HydrophobicContact CZ-CE 3.52Å; F306-M310 WeakPolarHBondContact O-CG 3.25Å; F306-M310 PolarHBondContact O-N 3.46Å; Q307-M310 PolarHBondContact O-N 3.03Å; D308-M310 PolarHBondContact O-N 3.15Å; M310-L313 HydrophobicContact CE-CD1 4.2Å; M310-L313 HydrophobicContact SD-CD1 3.7Å; M310-V322 HydrophobicContact CE-CG1 3.42Å; M310-V322 VanDerWaalsContact CE-CG1 3.42Å; M310-V322 HydrophobicContact SD-CG1 3.59Å; M310-V322 VanDerWaalsContact SD-CG1 3.59Å; M310-Y323 HydrophobicContact CB-CE1 4.46Å; M310-Y323 VanDerWaalsContact O-CE1 3.27Å; M310-Y323 WeakPolarHBondContact O-CE1 3.14Å; M310-Y323 HydrophobicContact SD-CE1 4.5Å; M310-W326 HydrophobicContact CG-CD2 4.5Å; M310-W326 HydrophobicContact CG-CG 4.18Å; M310-F354 HydrophobicContact CB-CE1 4.15Å; M310-F354 HydrophobicContact CB-CZ 4.43Å
311T79.5Confident77Confident71 Ų7148.7 Ų48.744%0.43626%0.258SS..Hα-helixtrans-71.9-31.9175590000113.6Q307 D308 V309 L313 C314 F354Q307-T311 WeakPolarHBondContact O-CG2 3.29Å; Q307-T311 PolarHBondContact O-N 2.89Å; Q307-T311 PolarHBondContact O-OG1 3.48Å; D308-T311 WeakPolarHBondContact CA-OG1 3.38Å; D308-T311 PolarHBondContact O-N 2.75Å; D308-T311 VanDerWaalsContact O-N 3.16Å; D308-T311 PolarHBondContact O-OG1 3.4Å; V309-T311 VanDerWaalsContact C-N 3.27Å; V309-T311 PolarHBondContact O-N 2.84Å; T311-L313 VanDerWaalsContact C-N 3.34Å; T311-C314 WeakPolarHBondContact O-CB 3.26Å; T311-C314 PolarHBondContact O-N 3.23Å; T311-F354 HydrophobicContact CG2-CE1 4.35Å; T311-F354 HydrophobicContact CG2-CZ 3.94Å
312T76.5Confident77.6Confident84 Ų8442.5 Ų42.552%0.51523%0.226SC..Hα-helixtrans-73.1-27.7175.859.20000112.7D308 V309 C314D308-T312 PolarHBondContact O-N 3Å; V309-T312 PolarHBondContact O-N 2.75Å; V309-T312 PolarHBondContact O-OG1 2.92Å; T312-C314 PolarHBondContact O-N 3.03Å
313L70Confident77.8Confident8 Ų841.6 Ų41.64%0.04222%0.222CC..THydrogen-bonded Turntrans-64.4-18.7174-78.1168.8000113.4I240 Y241 F271 V309 M310 T311 Y323I240-L313 HydrophobicContact CB-CD2 4.05Å; I240-L313 HydrophobicContact CD1-CD1 4.13Å; I240-L313 HydrophobicContact CD1-CD2 3.14Å; I240-L313 HydrophobicContact CD1-CG 3.43Å; I240-L313 VanDerWaalsContact CD1-CG 3.43Å; I240-L313 HydrophobicContact CG1-CD2 4.16Å; I240-L313 HydrophobicContact CG2-CD2 4.05Å; Y241-L313 HydrophobicContact CE2-CD2 3.58Å; F271-L313 HydrophobicContact CZ-CD1 4.4Å; V309-L313 HydrophobicContact CG1-CD1 4.43Å; V309-L313 WeakPolarHBondContact O-CG 3.5Å; V309-L313 PolarHBondContact O-N 3.42Å; V309-L313 VanDerWaalsContact O-N 3.12Å; M310-L313 HydrophobicContact CE-CD1 4.2Å; M310-L313 HydrophobicContact SD-CD1 3.7Å; T311-L313 VanDerWaalsContact C-N 3.34Å; L313-Y323 WeakPolarHBondContact CA-OH 3.37Å; L313-Y323 HydrophobicContact CB-CE1 4.23Å; L313-Y323 WeakPolarHBondContact CB-OH 3.38Å; L313-Y323 PolarHBondContact O-OH 3.24Å
314C63.4Low78.2Confident45 Ų4541.6 Ų41.630%0.30422%0.221SC..  trans-95.6137.5-161.7-1720000112.3T311 T312 Y323T311-C314 WeakPolarHBondContact O-CB 3.26Å; T311-C314 PolarHBondContact O-N 3.23Å; T312-C314 PolarHBondContact O-N 3.03Å; C314-Y323 WeakPolarHBondContact CA-OH 2.83Å; C314-Y323 HydrophobicContact CB-CE1 4.46Å; C314-Y323 WeakPolarHBondContact CB-OH 3.4Å; C314-Y323 PolarHBondContact N-OH 3.1Å
315P63.6Low78.6Confident91 Ų9134.8 Ų34.859%0.59120%0.195SC*.SBendcis-104.9119.5-2.419.10.1000112.5F361P315-F361 HydrophobicContact CB-CD2 4.33Å; P315-F361 HydrophobicContact CB-CE1 4.43Å; P315-F361 HydrophobicContact CB-CE2 3.3Å; P315-F361 HydrophobicContact CB-CZ 3.37Å; P315-F361 HydrophobicContact CG-CZ 4.33Å
316C70.5Confident78.9Confident33 Ų3332.8 Ų32.822%0.22318%0.182CC..  trans-127.7130172.8-174.50000111.3L318 H319C316-L318 PolarHBondContact O-N 3.16Å; C316-L318 PolarHBondContact SG-N 2.77Å; C316-H319 PolarHBondContact O-N 3.18Å; C316-H319 PolarHBondContact SG-CE1 3.48Å
317K76.1Confident79Confident135 Ų13532.9 Ų32.959%0.58718%0.183SC*.G310 helixtrans-55.3-33.2175-75.7-170.2178.9-1570113.1H319 A320 F361K317-H319 VanDerWaalsContact C-N 3.29Å; K317-H319 PolarHBondContact O-N 2.92Å; K317-A320 WeakPolarHBondContact O-CB 3.27Å; K317-A320 PolarHBondContact O-N 3.49Å; K317-F361 HydrophobicContact CG-CB 4.28Å; K317-F361 HydrophobicContact CG-CD1 3.55Å; K317-F361 HydrophobicContact CG-CE1 4.36Å; K317-F361 HydrophobicContact CG-CG 4.29Å
318L72Confident79.1Confident62 Ų6229.5 Ų29.533%0.32517%0.167SC..G310 helixtrans-68.8-24.8-176.6-63.8171000112.9N268 C316 S366N268-L318 PolarHBondContact ND2-O 2.89Å; C316-L318 PolarHBondContact O-N 3.16Å; C316-L318 PolarHBondContact SG-N 2.77Å; L318-S366 PolarHBondContact O-OG 3.27Å
319H78.4Confident79.4Confident1 Ų125.8 Ų25.81%0.00515%0.147CC..G310 helixtrans-108.313.7-177.8-39.7122.1000112.8Y241 N268 C316 K317 A321 V322 Y323Y241-H319 AromaticContact CD2-CE1 3.54Å; Y241-H319 AromaticContact CE1-CE1 3.65Å; Y241-H319 AromaticContact CE1-NE2 3.35Å; Y241-H319 VanDerWaalsContact CE1-NE2 3.35Å; Y241-H319 WeakPolarHBondContact CE1-NE2 3.23Å; Y241-H319 AromaticContact CE2-CE1 2.83Å; Y241-H319 WeakPolarHBondContact CE2-CE1 3.33Å; Y241-H319 AromaticContact CE2-ND1 3.53Å; Y241-H319 AromaticContact CE2-NE2 3.4Å; Y241-H319 WeakPolarHBondContact CE2-NE2 3.3Å; Y241-H319 AromaticContact CZ-CD2 3.73Å; Y241-H319 AromaticContact CZ-CE1 2.92Å; Y241-H319 AromaticContact CZ-ND1 3.79Å; Y241-H319 AromaticContact CZ-NE2 2.89Å; Y241-H319 PolarHBondContact OH-CD2 2.92Å; Y241-H319 PolarHBondContact OH-CE1 3.3Å; Y241-H319 PolarHBondContact OH-NE2 2.87Å; N268-H319 PolarHBondContact OD1-CD2 3.29Å; C316-H319 PolarHBondContact O-N 3.18Å; C316-H319 PolarHBondContact SG-CE1 3.48Å; K317-H319 VanDerWaalsContact C-N 3.29Å; K317-H319 PolarHBondContact O-N 2.92Å; H319-A321 PolarHBondContact O-N 3.43Å; H319-V322 HydrophobicContact CB-CB 4.38Å; H319-V322 HydrophobicContact CB-CG2 4.46Å; H319-V322 WeakPolarHBondContact O-CB 3.11Å; H319-V322 PolarHBondContact O-N 2.85Å; H319-Y323 HydrophobicContact CB-CE2 4.34Å; H319-Y323 WeakPolarHBondContact O-CD2 3.3Å; H319-Y323 PolarHBondContact O-N 2.72Å; H319-Y323 VanDerWaalsContact O-N 3.15Å
320A83.4Confident79.6Confident0 Ų026.4 Ų26.40%015%0.149CC..Hα-helixtrans-54.6-38.1178.100000111.9K317 Y323 M324 F361 W363K317-A320 WeakPolarHBondContact O-CB 3.27Å; K317-A320 PolarHBondContact O-N 3.49Å; A320-Y323 PolarHBondContact O-N 3.25Å; A320-M324 PolarHBondContact O-N 3.28Å; A320-F361 HydrophobicContact CB-CB 3.79Å; A320-F361 WeakPolarHBondContact CB-O 3.35Å; A320-W363 HydrophobicContact CB-CB 3.87Å; A320-W363 WeakPolarHBondContact O-CB 3.2Å
321A84.8Confident79.6Confident1 Ų127.9 Ų27.91%0.00816%0.156CC..Hα-helixtrans-58.5-48172.800000112.8M272 H319 Y323 M324 F325 C367M272-A321 HydrophobicContact SD-CB 4.16Å; H319-A321 PolarHBondContact O-N 3.43Å; A321-Y323 VanDerWaalsContact C-N 3.28Å; A321-Y323 PolarHBondContact O-N 2.98Å; A321-M324 PolarHBondContact O-N 2.84Å; A321-M324 VanDerWaalsContact O-N 3.1Å; A321-F325 WeakPolarHBondContact O-CD2 3.39Å; A321-F325 PolarHBondContact O-N 3.48Å; A321-C367 WeakPolarHBondContact CB-SG 3.43Å
322V85.6Confident79.7Confident0 Ų024.5 Ų24.50%014%0.136CC..Hα-helixtrans-62-37.6-179-1790000111.2N268 F271 M310 H319 F325 W326N268-V322 HydrophobicContact CB-CG2 4.19Å; N268-V322 WeakPolarHBondContact OD1-CG2 3.35Å; F271-V322 HydrophobicContact CB-CB 4.44Å; F271-V322 HydrophobicContact CB-CG1 3.65Å; F271-V322 HydrophobicContact CB-CG2 3.88Å; F271-V322 HydrophobicContact CG-CG1 4.14Å; M310-V322 HydrophobicContact CE-CG1 3.42Å; M310-V322 VanDerWaalsContact CE-CG1 3.42Å; M310-V322 HydrophobicContact SD-CG1 3.59Å; M310-V322 VanDerWaalsContact SD-CG1 3.59Å; H319-V322 HydrophobicContact CB-CB 4.38Å; H319-V322 HydrophobicContact CB-CG2 4.46Å; H319-V322 WeakPolarHBondContact O-CB 3.11Å; H319-V322 PolarHBondContact O-N 2.85Å; V322-F325 PolarHBondContact O-N 2.83Å; V322-W326 WeakPolarHBondContact O-CB 3.28Å; V322-W326 PolarHBondContact O-N 3.39Å
323Y84.6Confident79.9Confident0 Ų020.5 Ų20.50%011%0.111CC..Hα-helixtrans-63.3-41.6174.1-65.2-46000113.4M310 L313 C314 H319 A320 A321 W326 A327 F354M310-Y323 HydrophobicContact CB-CE1 4.46Å; M310-Y323 VanDerWaalsContact O-CE1 3.27Å; M310-Y323 WeakPolarHBondContact O-CE1 3.14Å; M310-Y323 HydrophobicContact SD-CE1 4.5Å; L313-Y323 WeakPolarHBondContact CA-OH 3.37Å; L313-Y323 HydrophobicContact CB-CE1 4.23Å; L313-Y323 WeakPolarHBondContact CB-OH 3.38Å; L313-Y323 PolarHBondContact O-OH 3.24Å; C314-Y323 WeakPolarHBondContact CA-OH 2.83Å; C314-Y323 HydrophobicContact CB-CE1 4.46Å; C314-Y323 WeakPolarHBondContact CB-OH 3.4Å; C314-Y323 PolarHBondContact N-OH 3.1Å; H319-Y323 HydrophobicContact CB-CE2 4.34Å; H319-Y323 WeakPolarHBondContact O-CD2 3.3Å; H319-Y323 PolarHBondContact O-N 2.72Å; H319-Y323 VanDerWaalsContact O-N 3.15Å; A320-Y323 PolarHBondContact O-N 3.25Å; A321-Y323 VanDerWaalsContact C-N 3.28Å; A321-Y323 PolarHBondContact O-N 2.98Å; Y323-W326 PolarHBondContact O-N 2.92Å; Y323-A327 WeakPolarHBondContact O-CB 3.5Å; Y323-A327 PolarHBondContact O-N 3.03Å; Y323-F354 AromaticContact CD1-CD1 3.83Å; Y323-F354 HydrophobicContact CD1-CD1 3.83Å; Y323-F354 HydrophobicContact CD1-CE1 4.37Å; Y323-F354 HydrophobicContact CE1-CD1 4.37Å
324M86.5Confident80.2Confident7 Ų720.3 Ų20.33%0.03411%0.11CC..Hα-helixtrans-64.5-44.5177.1-168.562.3-174.300110.5A320 A321 W326 A327 V328 A358 W363 C397 F401 L406A320-M324 PolarHBondContact O-N 3.28Å; A321-M324 PolarHBondContact O-N 2.84Å; A321-M324 VanDerWaalsContact O-N 3.1Å; M324-W326 VanDerWaalsContact C-N 3.31Å; M324-W326 PolarHBondContact O-N 2.92Å; M324-A327 PolarHBondContact O-N 2.88Å; M324-A327 VanDerWaalsContact O-N 3.15Å; M324-V328 HydrophobicContact CE-CG2 4.16Å; M324-V328 HydrophobicContact CG-CG2 4.44Å; M324-V328 VanDerWaalsContact O-CG2 3.22Å; M324-V328 WeakPolarHBondContact O-CG2 3.48Å; M324-V328 PolarHBondContact O-N 3.35Å; M324-A358 HydrophobicContact CB-CB 4.02Å; M324-A358 HydrophobicContact SD-CB 4.36Å; M324-W363 HydrophobicContact CB-CB 4.27Å; M324-W363 HydrophobicContact CB-CD2 3.87Å; M324-W363 HydrophobicContact CB-CE3 4.02Å; M324-W363 HydrophobicContact CB-CG 4Å; M324-W363 HydrophobicContact CE-CZ2 4.37Å; M324-W363 HydrophobicContact CG-CD2 3.72Å; M324-W363 HydrophobicContact CG-CE3 3.97Å; M324-W363 HydrophobicContact CG-CG 4.17Å; M324-W363 HydrophobicContact CG-CH2 4.32Å; M324-W363 HydrophobicContact CG-CZ2 4.11Å; M324-W363 HydrophobicContact CG-CZ3 4.26Å; M324-C397 HydrophobicContact CE-CB 4.22Å; M324-C397 VanDerWaalsContact CE-SG 3.58Å; M324-F401 HydrophobicContact CE-CD2 3.82Å; M324-F401 HydrophobicContact CE-CE2 3.65Å; M324-F401 HydrophobicContact CE-CZ 4.3Å; M324-L406 HydrophobicContact CE-CD2 3.64Å
325F88.6Confident80.9Confident1 Ų120.7 Ų20.70%0.00411%0.109CC..Hα-helixtrans-62-39.9178.1-83.9-124.8000112M272 C275 I277 A321 V322 V328 N329 T389 V390 A393M272-F325 HydrophobicContact CB-CD1 3.57Å; M272-F325 HydrophobicContact CB-CE1 3.58Å; M272-F325 HydrophobicContact CB-CG 4.29Å; M272-F325 HydrophobicContact CB-CZ 4.28Å; M272-F325 HydrophobicContact CG-CB 4.49Å; M272-F325 HydrophobicContact CG-CD1 3.59Å; M272-F325 HydrophobicContact CG-CD2 4.14Å; M272-F325 HydrophobicContact CG-CE1 3.68Å; M272-F325 HydrophobicContact CG-CE2 4.2Å; M272-F325 HydrophobicContact CG-CG 3.82Å; M272-F325 HydrophobicContact CG-CZ 3.95Å; M272-F325 HydrophobicContact SD-CD1 4.29Å; M272-F325 HydrophobicContact SD-CD2 4.2Å; M272-F325 HydrophobicContact SD-CE1 3.85Å; M272-F325 HydrophobicContact SD-CE2 3.73Å; M272-F325 HydrophobicContact SD-CG 4.44Å; M272-F325 HydrophobicContact SD-CZ 3.51Å; M272-F325 VanDerWaalsContact SD-CZ 3.51Å; C275-F325 HydrophobicContact CB-CB 4.36Å; I277-F325 HydrophobicContact CD1-CB 3.87Å; I277-F325 HydrophobicContact CD1-CD1 3.37Å; I277-F325 HydrophobicContact CD1-CE1 4.05Å; I277-F325 HydrophobicContact CD1-CG 3.71Å; I277-F325 HydrophobicContact CG1-CD1 4.44Å; A321-F325 WeakPolarHBondContact O-CD2 3.39Å; A321-F325 PolarHBondContact O-N 3.48Å; V322-F325 PolarHBondContact O-N 2.83Å; F325-V328 PolarHBondContact O-N 3.49Å; F325-N329 WeakPolarHBondContact O-CB 3.3Å; F325-N329 PolarHBondContact O-N 3.16Å; F325-T389 HydrophobicContact CE1-CG2 4.25Å; F325-V390 HydrophobicContact CZ-CG2 4.24Å; F325-A393 HydrophobicContact CD1-CB 3.94Å; F325-A393 HydrophobicContact CD2-CB 4.25Å; F325-A393 HydrophobicContact CE1-CB 3.32Å; F325-A393 HydrophobicContact CE2-CB 3.71Å; F325-A393 HydrophobicContact CG-CB 4.38Å; F325-A393 HydrophobicContact CZ-CB 3.22Å
326W87.2Confident81.4Confident1 Ų116.9 Ų16.90%0.0048%0.084CC..Hα-helixtrans-64.4-43.9173.8178.4-119.8000112.2W297 C303 F306 Q307 M310 V322 Y323 M324 V328 N329 R330 F354W297-W326 AromaticContact CZ3-CZ3 3.98Å; W297-W326 HydrophobicContact CZ3-CZ3 3.98Å; C303-W326 HydrophobicContact CB-CH2 4.33Å; F306-W326 HydrophobicContact CB-CH2 3.89Å; F306-W326 HydrophobicContact CB-CZ2 4.48Å; F306-W326 HydrophobicContact CB-CZ3 4.27Å; F306-W326 AromaticContact CD1-CD2 3.73Å; F306-W326 HydrophobicContact CD1-CD2 3.73Å; F306-W326 AromaticContact CD1-CE2 3.99Å; F306-W326 AromaticContact CD1-CE3 3.36Å; F306-W326 HydrophobicContact CD1-CE3 3.36Å; F306-W326 AromaticContact CD1-CH2 3.52Å; F306-W326 HydrophobicContact CD1-CH2 3.52Å; F306-W326 AromaticContact CD1-CZ2 3.91Å; F306-W326 HydrophobicContact CD1-CZ2 3.91Å; F306-W326 AromaticContact CD1-CZ3 3.25Å; F306-W326 HydrophobicContact CD1-CZ3 3.25Å; F306-W326 HydrophobicContact CD2-CZ3 4.23Å; F306-W326 AromaticContact CE1-CD2 3.68Å; F306-W326 HydrophobicContact CE1-CD2 3.68Å; F306-W326 AromaticContact CE1-CE3 3.19Å; F306-W326 HydrophobicContact CE1-CE3 3.19Å; F306-W326 HydrophobicContact CE1-CG 4.29Å; F306-W326 HydrophobicContact CE1-CH2 4.24Å; F306-W326 AromaticContact CE1-CZ3 3.52Å; F306-W326 HydrophobicContact CE1-CZ3 3.52Å; F306-W326 HydrophobicContact CE2-CZ3 4.5Å; F306-W326 HydrophobicContact CG-CE3 4.23Å; F306-W326 AromaticContact CG-CH2 3.8Å; F306-W326 HydrophobicContact CG-CH2 3.8Å; F306-W326 HydrophobicContact CG-CZ2 4.5Å; F306-W326 AromaticContact CG-CZ3 3.67Å; F306-W326 HydrophobicContact CG-CZ3 3.67Å; F306-W326 HydrophobicContact CZ-CE3 4Å; F306-W326 HydrophobicContact CZ-CZ3 4.19Å; Q307-W326 HydrophobicContact CB-CZ2 4.17Å; M310-W326 HydrophobicContact CG-CD2 4.5Å; M310-W326 HydrophobicContact CG-CG 4.18Å; V322-W326 WeakPolarHBondContact O-CB 3.28Å; V322-W326 PolarHBondContact O-N 3.39Å; Y323-W326 PolarHBondContact O-N 2.92Å; M324-W326 VanDerWaalsContact C-N 3.31Å; M324-W326 PolarHBondContact O-N 2.92Å; W326-V328 PolarHBondContact O-N 2.86Å; W326-N329 HydrophobicContact CE3-CB 4.49Å; W326-N329 PolarHBondContact O-N 3.19Å; W326-R330 HydrophobicContact CD2-CG 4.26Å; W326-R330 HydrophobicContact CZ2-CG 4.07Å; W326-R330 WeakPolarHBondContact O-CG 3.36Å; W326-R330 PolarHBondContact O-N 3.39Å; W326-F354 AromaticContact CD1-CD2 3.85Å; W326-F354 AromaticContact NE1-CE2 3.86Å
327A84.2Confident81.5Confident1 Ų115.9 Ų15.91%0.0088%0.078CC..Hα-helixtrans-61.6-42.717700000111.9Y323 M324 R330 E331 F354Y323-A327 WeakPolarHBondContact O-CB 3.5Å; Y323-A327 PolarHBondContact O-N 3.03Å; M324-A327 PolarHBondContact O-N 2.88Å; M324-A327 VanDerWaalsContact O-N 3.15Å; A327-R330 PolarHBondContact O-N 3.02Å; A327-E331 PolarHBondContact O-N 3.29Å; A327-F354 HydrophobicContact CB-CB 4.34Å
328V86.1Confident81.1Confident0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-63.8-47.5176.2173.10000111.2I277 M324 F325 W326 R330 E331 M332 Q396 C397 L400 F401I277-V328 HydrophobicContact CD1-CB 4.26Å; I277-V328 HydrophobicContact CD1-CG1 4.08Å; I277-V328 HydrophobicContact CG2-CG1 4.24Å; M324-V328 HydrophobicContact CE-CG2 4.16Å; M324-V328 HydrophobicContact CG-CG2 4.44Å; M324-V328 VanDerWaalsContact O-CG2 3.22Å; M324-V328 WeakPolarHBondContact O-CG2 3.48Å; M324-V328 PolarHBondContact O-N 3.35Å; F325-V328 PolarHBondContact O-N 3.49Å; W326-V328 PolarHBondContact O-N 2.86Å; V328-R330 VanDerWaalsContact C-N 3.27Å; V328-R330 PolarHBondContact O-N 3.35Å; V328-E331 PolarHBondContact O-N 2.96Å; V328-M332 HydrophobicContact CG1-CG 4.28Å; V328-M332 HydrophobicContact CG1-SD 3.65Å; V328-M332 WeakPolarHBondContact O-CB 3.38Å; V328-M332 VanDerWaalsContact O-CG 3.28Å; V328-M332 WeakPolarHBondContact O-CG 3.46Å; V328-M332 PolarHBondContact O-N 2.85Å; V328-Q396 HydrophobicContact CG1-CB 4.01Å; V328-C397 WeakPolarHBondContact CG2-SG 3.47Å; V328-L400 HydrophobicContact CG1-CD1 4.3Å; V328-F401 HydrophobicContact CG2-CE2 4.11Å
329N86.8Confident80.6Confident0 Ų016.7 Ų16.70%09%0.093CC..Hα-helixtrans-53.9-45.2175169-82.2000111.4C275 L280 F325 W326 C333C275-N329 HydrophobicContact CB-CB 4.4Å; C275-N329 PolarHBondContact O-ND2 3.08Å; L280-N329 HydrophobicContact CD1-CB 4.38Å; L280-N329 WeakPolarHBondContact CD1-ND2 3.07Å; F325-N329 WeakPolarHBondContact O-CB 3.3Å; F325-N329 PolarHBondContact O-N 3.16Å; W326-N329 HydrophobicContact CE3-CB 4.49Å; W326-N329 PolarHBondContact O-N 3.19Å; N329-C333 WeakPolarHBondContact O-CB 3.36Å; N329-C333 PolarHBondContact O-N 3.48Å; N329-C333 PolarHBondContact O-SG 3.12Å
330R84.5Confident79.7Confident13 Ų1319.4 Ų19.45%0.04911%0.112CC..Hα-helixtrans-65.1-44.2178.2-69.6-59.1105.9-173.310.9112.4W297 C303 W326 A327 V328 C333 C334 F351W297-R330 PolarHBondContact O-NH1 3.25Å; C303-R330 VanDerWaalsContact SG-CZ 3.54Å; C303-R330 PolarHBondContact SG-NH1 2.72Å; C303-R330 PolarHBondContact SG-NH2 3.13Å; W326-R330 HydrophobicContact CD2-CG 4.26Å; W326-R330 HydrophobicContact CZ2-CG 4.07Å; W326-R330 WeakPolarHBondContact O-CG 3.36Å; W326-R330 PolarHBondContact O-N 3.39Å; A327-R330 PolarHBondContact O-N 3.02Å; V328-R330 VanDerWaalsContact C-N 3.27Å; V328-R330 PolarHBondContact O-N 3.35Å; R330-C333 PolarHBondContact O-N 3.35Å; R330-C334 PolarHBondContact O-N 2.98Å; R330-C334 PolarHBondContact O-SG 3.06Å; R330-F351 HydrophobicContact CB-CB 4.14Å; R330-F351 HydrophobicContact CB-CD1 3.93Å; R330-F351 HydrophobicContact CB-CD2 4.45Å; R330-F351 HydrophobicContact CB-CE1 4.43Å; R330-F351 HydrophobicContact CB-CG 3.92Å; R330-F351 HydrophobicContact CG-CB 4.34Å
331E79.8Confident78Confident32 Ų3228.2 Ų28.215%0.1516%0.159CC..Hα-helixtrans-63.3-43.9178.8-173.763.7-175.700111.5A327 V328 C333 C334 L335 F351 L400A327-E331 PolarHBondContact O-N 3.29Å; V328-E331 PolarHBondContact O-N 2.96Å; E331-C333 PolarHBondContact O-N 3.34Å; E331-C334 WeakPolarHBondContact O-CB 3.37Å; E331-C334 PolarHBondContact O-N 3.23Å; E331-C334 VanDerWaalsContact O-N 3.16Å; E331-L335 WeakPolarHBondContact O-CG 3.49Å; E331-L335 PolarHBondContact O-N 2.86Å; E331-F351 HydrophobicContact CB-CE2 4.35Å; E331-F351 WeakPolarHBondContact OE2-CE2 3.4Å; E331-F351 WeakPolarHBondContact OE2-CZ 3.45Å; E331-L400 HydrophobicContact CB-CD1 4.41Å; E331-L400 HydrophobicContact CG-CD1 4.16Å; E331-L400 HydrophobicContact CG-CD2 4.43Å
332M80.8Confident76.2Confident0 Ų030.1 Ų30.10%018%0.179CC..Hα-helixtrans-62.7-43176.1-67.8172.781.700112I277 L280 A281 L284 V328 C334 L335 I336 Q396 L400I277-M332 HydrophobicContact CG2-CE 4.29Å; I277-M332 HydrophobicContact CG2-SD 3.81Å; L280-M332 VanDerWaalsContact C-CE 3.49Å; L280-M332 HydrophobicContact CB-CB 4.42Å; L280-M332 HydrophobicContact CB-CE 3.75Å; L280-M332 HydrophobicContact CB-SD 4.32Å; A281-M332 HydrophobicContact CB-CE 3.74Å; L284-M332 HydrophobicContact CD1-CB 3.92Å; L284-M332 HydrophobicContact CD1-CE 3.47Å; L284-M332 VanDerWaalsContact CD1-CE 3.47Å; L284-M332 HydrophobicContact CD1-CG 3.84Å; V328-M332 HydrophobicContact CG1-CG 4.28Å; V328-M332 HydrophobicContact CG1-SD 3.65Å; V328-M332 WeakPolarHBondContact O-CB 3.38Å; V328-M332 VanDerWaalsContact O-CG 3.28Å; V328-M332 WeakPolarHBondContact O-CG 3.46Å; V328-M332 PolarHBondContact O-N 2.85Å; M332-C334 VanDerWaalsContact C-N 3.3Å; M332-C334 PolarHBondContact O-N 3.08Å; M332-L335 PolarHBondContact O-N 3.12Å; M332-I336 VanDerWaalsContact O-CG1 3.24Å; M332-I336 WeakPolarHBondContact O-CG1 3.25Å; M332-I336 PolarHBondContact O-N 3.11Å; M332-Q396 HydrophobicContact CE-CG 3.84Å; M332-Q396 HydrophobicContact SD-CB 4.23Å; M332-Q396 HydrophobicContact SD-CG 4.05Å; M332-L400 HydrophobicContact CG-CD1 3.87Å
333C80Confident74.4Confident0 Ų036.2 Ų36.20%022%0.221CC..Hα-helixtrans-61.5-37.7174-75.30000112.4L298 N329 R330 E331 A337 L346L298-C333 HydrophobicContact CD2-CB 4.48Å; N329-C333 WeakPolarHBondContact O-CB 3.36Å; N329-C333 PolarHBondContact O-N 3.48Å; N329-C333 PolarHBondContact O-SG 3.12Å; R330-C333 PolarHBondContact O-N 3.35Å; E331-C333 PolarHBondContact O-N 3.34Å; C333-A337 VanDerWaalsContact O-CB 3.27Å; C333-A337 WeakPolarHBondContact O-CB 3.21Å; C333-A337 PolarHBondContact O-N 3.26Å; C333-L346 HydrophobicContact CB-CD1 4.4Å
334C77.6Confident72.5Confident4 Ų438.9 Ų38.93%0.02724%0.239CC..Hα-helixtrans-62.2-46.9173.6-67.20000111.4R330 E331 M332 A337 E338 L346R330-C334 PolarHBondContact O-N 2.98Å; R330-C334 PolarHBondContact O-SG 3.06Å; E331-C334 WeakPolarHBondContact O-CB 3.37Å; E331-C334 PolarHBondContact O-N 3.23Å; E331-C334 VanDerWaalsContact O-N 3.16Å; M332-C334 VanDerWaalsContact C-N 3.3Å; M332-C334 PolarHBondContact O-N 3.08Å; C334-A337 PolarHBondContact O-N 3.44Å; C334-E338 WeakPolarHBondContact O-CG 3.35Å; C334-E338 PolarHBondContact O-N 3.42Å; C334-L346 VanDerWaalsContact SG-CB 3.54Å
335L77.3Confident70.8Confident53 Ų5343.7 Ų43.728%0.27727%0.269SS..Hα-helixtrans-63.6-41.8178.5-68.7172.1000112.5L284 E331 M332 A337 E338 S339 L400L284-L335 HydrophobicContact CD2-CB 4.05Å; E331-L335 WeakPolarHBondContact O-CG 3.49Å; E331-L335 PolarHBondContact O-N 2.86Å; M332-L335 PolarHBondContact O-N 3.12Å; L335-A337 VanDerWaalsContact C-N 3.34Å; L335-E338 PolarHBondContact O-N 3.42Å; L335-S339 PolarHBondContact O-N 3.31Å; L335-S339 VanDerWaalsContact O-N 3.11Å; L335-L400 HydrophobicContact CD1-CD2 3.34Å
336I75.5Confident69.2Low11 Ų1145.7 Ų45.76%0.05628%0.28CS..Hα-helixtrans-62.6-44.2174.7-66.2164.6000109.9L280 L284 M332 E338 S339 S340L280-I336 HydrophobicContact CB-CD1 4.46Å; L280-I336 HydrophobicContact CD2-CD1 3.89Å; L284-I336 HydrophobicContact CD2-CG1 3.79Å; L284-I336 HydrophobicContact CG-CD1 4.18Å; L284-I336 HydrophobicContact CG-CG1 3.81Å; M332-I336 VanDerWaalsContact O-CG1 3.24Å; M332-I336 WeakPolarHBondContact O-CG1 3.25Å; M332-I336 PolarHBondContact O-N 3.11Å; I336-E338 VanDerWaalsContact C-N 3.34Å; I336-E338 PolarHBondContact O-N 3.13Å; I336-S339 PolarHBondContact O-N 3.2Å; I336-S339 PolarHBondContact O-OG 2.98Å; I336-S340 PolarHBondContact O-N 3.29Å; I336-S340 PolarHBondContact O-OG 3.45Å
337A71Confident67.8Low12 Ų1252.9 Ų52.910%0.09931%0.311CS..Hα-helixtrans-66.1-34.1178.400000112.9L298 C333 C334 L335 S339 S340 C344L298-A337 HydrophobicContact CD2-CB 4.46Å; C333-A337 VanDerWaalsContact O-CB 3.27Å; C333-A337 WeakPolarHBondContact O-CB 3.21Å; C333-A337 PolarHBondContact O-N 3.26Å; C334-A337 PolarHBondContact O-N 3.44Å; L335-A337 VanDerWaalsContact C-N 3.34Å; A337-S339 VanDerWaalsContact C-N 3.32Å; A337-S340 PolarHBondContact O-N 3.01Å; A337-S340 PolarHBondContact O-OG 2.93Å; A337-C344 HydrophobicContact CB-CB 4.07Å
338E68.3Low66.6Low116 Ų11659.1 Ų59.154%0.54233%0.334SS..Hα-helixtrans-68.2-30.9174.2-75176-168.600112.3C334 L335 I336 R348C334-E338 WeakPolarHBondContact O-CG 3.35Å; C334-E338 PolarHBondContact O-N 3.42Å; L335-E338 PolarHBondContact O-N 3.42Å; I336-E338 VanDerWaalsContact C-N 3.34Å; I336-E338 PolarHBondContact O-N 3.13Å; E338-R348 VanDerWaalsContact CD-NH2 3.33Å; E338-R348 IonicContact OE1-CZ 2.94Å; E338-R348 IonicContact OE1-NE 3.83Å; E338-R348 PolarHBondContact OE1-NE 3.35Å; E338-R348 IonicContact OE1-NH2 2.77Å; E338-R348 PolarHBondContact OE1-NH2 3.49Å; E338-R348 IonicContact OE2-NH2 2.89Å; E338-R348 PolarHBondContact OE2-NH2 2.69Å
339S61.6Low65.3Low97 Ų9765.9 Ų65.968%0.67837%0.371SS*.Hα-helixtrans-76.2-20.5176.873.90000114.1L335 I336 A337L335-S339 PolarHBondContact O-N 3.31Å; L335-S339 VanDerWaalsContact O-N 3.11Å; I336-S339 PolarHBondContact O-N 3.2Å; I336-S339 PolarHBondContact O-OG 2.98Å; A337-S339 VanDerWaalsContact C-N 3.32Å
340S58.7Low63.9Low58 Ų5868.8 Ų68.841%0.40639%0.391SS..SBendtrans-102.8123.4175.960.30000110.2I336 A337 G342I336-S340 PolarHBondContact O-N 3.29Å; I336-S340 PolarHBondContact O-OG 3.45Å; A337-S340 PolarHBondContact O-N 3.01Å; A337-S340 PolarHBondContact O-OG 2.93Å; S340-G342 PolarHBondContact O-N 2.97Å
341D47.9Very low63.1Low185 Ų18569.1 Ų69.199%0.98939%0.393SS*.SBendtrans-59.726.1-174.5-80.2-37.1000117.3
342G47.5Very low62.6Low42 Ų4275.9 Ų75.943%0.43342%0.417SS..SBendtrans-121.4104.8-172.900000115.3S340 C344S340-G342 PolarHBondContact O-N 2.97Å; G342-C344 VanDerWaalsContact C-N 3.28Å; G342-C344 PolarHBondContact O-N 3.49Å
343S47.1Very low62.4Low127 Ų12782.8 Ų82.889%0.88845%0.447SS*.  trans21.320.4148.870.20000124T345S343-T345 PolarHBondContact O-N 3.29Å
344C45.1Very low62Low56 Ų5683.3 Ų83.338%0.37845%0.449SS..  trans-83.7113.4179-147.70000110.6A337 G342 L346A337-C344 HydrophobicContact CB-CB 4.07Å; G342-C344 VanDerWaalsContact C-N 3.28Å; G342-C344 PolarHBondContact O-N 3.49Å; C344-L346 VanDerWaalsContact C-N 3.3Å; C344-L346 PolarHBondContact O-N 2.91Å
345T50.7Low61.9Low109 Ų10984.3 Ų84.367%0.66946%0.456SS*.  trans-89.555.6-178.247.30000112.1S343 K347S343-T345 PolarHBondContact O-N 3.29Å; T345-K347 PolarHBondContact O-N 3.3Å; T345-K347 VanDerWaalsContact O-N 3.15Å
346L56Low62Low42 Ų4284 Ų8422%0.2246%0.455CS..  trans-73.8104.6168.9-71.1165.4000108.7C333 C334 C344 R348C333-L346 HydrophobicContact CB-CD1 4.4Å; C334-L346 VanDerWaalsContact SG-CB 3.54Å; C344-L346 VanDerWaalsContact C-N 3.3Å; C344-L346 PolarHBondContact O-N 2.91Å; L346-R348 PolarHBondContact O-N 2.91Å
347K57.8Low62Low153 Ų15384.2 Ų84.267%0.66546%0.457SS*.  trans-75.6121.6177.7-71-175.7179.2-179.20110.6T345 D349 S350T345-K347 PolarHBondContact O-N 3.3Å; T345-K347 VanDerWaalsContact O-N 3.15Å; K347-D349 PolarHBondContact O-N 2.85Å; K347-D349 VanDerWaalsContact O-N 3.09Å; K347-S350 PolarHBondContact O-N 3.26Å; K347-S350 VanDerWaalsContact O-N 3.11Å; K347-S350 PolarHBondContact O-OG 2.75Å
348R59.6Low62.1Low131 Ų13183.7 Ų83.749%0.49445%0.452SS..G310 helixtrans-49.9-33.8175.9-67.9-172.6-175.1-175.8-2113.6E338 L346 S350 F351E338-R348 VanDerWaalsContact CD-NH2 3.33Å; E338-R348 IonicContact OE1-CZ 2.94Å; E338-R348 IonicContact OE1-NE 3.83Å; E338-R348 PolarHBondContact OE1-NE 3.35Å; E338-R348 IonicContact OE1-NH2 2.77Å; E338-R348 PolarHBondContact OE1-NH2 3.49Å; E338-R348 IonicContact OE2-NH2 2.89Å; E338-R348 PolarHBondContact OE2-NH2 2.69Å; L346-R348 PolarHBondContact O-N 2.91Å; R348-S350 PolarHBondContact O-N 3.09Å; R348-S350 VanDerWaalsContact O-N 3.16Å; R348-F351 VanDerWaalsContact CA-CE1 3.49Å; R348-F351 VanDerWaalsContact CA-CZ 3.49Å; R348-F351 HydrophobicContact CB-CZ 4.14Å; R348-F351 HydrophobicContact CG-CZ 4.28Å; R348-F351 WeakPolarHBondContact O-CE1 3.31Å; R348-F351 WeakPolarHBondContact O-CZ 3.3Å
349D57.6Low62.5Low143 Ų14382.6 Ų82.677%0.76545%0.445SS*.G310 helixtrans-65.4-20.3-177.3-59.7-18.4000114.6K347K347-D349 PolarHBondContact O-N 2.85Å; K347-D349 VanDerWaalsContact O-N 3.09Å
350S58.6Low63.4Low61 Ų6184.2 Ų84.243%0.42744%0.442SS..G310 helixtrans-76-25.9-170.560.70000114.3K347 R348K347-S350 PolarHBondContact O-N 3.26Å; K347-S350 VanDerWaalsContact O-N 3.11Å; K347-S350 PolarHBondContact O-OG 2.75Å; R348-S350 PolarHBondContact O-N 3.09Å; R348-S350 VanDerWaalsContact O-N 3.16Å
351F66.6Low64.2Low19 Ų1983.6 Ų83.68%0.08343%0.432CS..THydrogen-bonded Turntrans-111.8-10-173.851.2-96.1000114.4R330 E331 R348 K353 F354 S355R330-F351 HydrophobicContact CB-CB 4.14Å; R330-F351 HydrophobicContact CB-CD1 3.93Å; R330-F351 HydrophobicContact CB-CD2 4.45Å; R330-F351 HydrophobicContact CB-CE1 4.43Å; R330-F351 HydrophobicContact CB-CG 3.92Å; R330-F351 HydrophobicContact CG-CB 4.34Å; E331-F351 HydrophobicContact CB-CE2 4.35Å; E331-F351 WeakPolarHBondContact OE2-CE2 3.4Å; E331-F351 WeakPolarHBondContact OE2-CZ 3.45Å; R348-F351 VanDerWaalsContact CA-CE1 3.49Å; R348-F351 VanDerWaalsContact CA-CZ 3.49Å; R348-F351 HydrophobicContact CB-CZ 4.14Å; R348-F351 HydrophobicContact CG-CZ 4.28Å; R348-F351 WeakPolarHBondContact O-CE1 3.31Å; R348-F351 WeakPolarHBondContact O-CZ 3.3Å; F351-K353 PolarHBondContact O-N 3.34Å; F351-K353 VanDerWaalsContact O-N 3.15Å; F351-F354 HydrophobicContact CB-CD2 4.4Å; F351-F354 PolarHBondContact O-N 3.29Å; F351-S355 PolarHBondContact O-N 3.25Å
352W70.3Confident65.9Low175 Ų17580 Ų8066%0.66341%0.41SS*.Hα-helixtrans-54.1-31.8170.2-177.970.7000112.6F354 S355 I356W352-F354 VanDerWaalsContact C-N 3.3Å; W352-F354 PolarHBondContact O-N 3.29Å; W352-S355 PolarHBondContact O-N 3.11Å; W352-S355 PolarHBondContact O-OG 3.39Å; W352-I356 HydrophobicContact CD2-CD1 3.46Å; W352-I356 VanDerWaalsContact CD2-CD1 3.46Å; W352-I356 HydrophobicContact CD2-CG1 4.1Å; W352-I356 VanDerWaalsContact CE2-CD1 3.42Å; W352-I356 HydrophobicContact CE3-CD1 3.37Å; W352-I356 HydrophobicContact CE3-CG1 4.46Å; W352-I356 HydrophobicContact CG-CD1 4.35Å; W352-I356 HydrophobicContact CH2-CD1 3.25Å; W352-I356 HydrophobicContact CH2-CG1 4.3Å; W352-I356 HydrophobicContact CZ2-CD1 3.34Å; W352-I356 HydrophobicContact CZ2-CG1 3.92Å; W352-I356 HydrophobicContact CZ3-CD1 3.25Å; W352-I356 VanDerWaalsContact O-CG1 3.3Å; W352-I356 WeakPolarHBondContact O-CG1 3.42Å; W352-I356 PolarHBondContact O-N 3.41Å; W352-I356 VanDerWaalsContact O-N 3.08Å
353K74.8Confident67.8Low144 Ų14478.2 Ų78.263%0.62639%0.39SS*.Hα-helixtrans-58.5-40173.5-174.5178.9176.4-174.80112.5F351 T357F351-K353 PolarHBondContact O-N 3.34Å; F351-K353 VanDerWaalsContact O-N 3.15Å; K353-T357 WeakPolarHBondContact O-CG2 3.33Å; K353-T357 PolarHBondContact O-N 2.77Å; K353-T357 PolarHBondContact O-OG1 3.37Å
354F71.7Confident69.7Low11 Ų1172.4 Ų72.45%0.04835%0.349CS..Hα-helixtrans-71.7-39.4-178.3-67.3-71000112Q307 M310 T311 Y323 W326 A327 F351 W352 T357 A358Q307-F354 HydrophobicContact CG-CE2 4.39Å; Q307-F354 HydrophobicContact CG-CZ 4.25Å; M310-F354 HydrophobicContact CB-CE1 4.15Å; M310-F354 HydrophobicContact CB-CZ 4.43Å; T311-F354 HydrophobicContact CG2-CE1 4.35Å; T311-F354 HydrophobicContact CG2-CZ 3.94Å; Y323-F354 AromaticContact CD1-CD1 3.83Å; Y323-F354 HydrophobicContact CD1-CD1 3.83Å; Y323-F354 HydrophobicContact CD1-CE1 4.37Å; Y323-F354 HydrophobicContact CE1-CD1 4.37Å; W326-F354 AromaticContact CD1-CD2 3.85Å; W326-F354 AromaticContact NE1-CE2 3.86Å; A327-F354 HydrophobicContact CB-CB 4.34Å; F351-F354 HydrophobicContact CB-CD2 4.4Å; F351-F354 PolarHBondContact O-N 3.29Å; W352-F354 VanDerWaalsContact C-N 3.3Å; W352-F354 PolarHBondContact O-N 3.29Å; F354-T357 WeakPolarHBondContact CA-OG1 3.37Å; F354-T357 PolarHBondContact O-N 3.41Å; F354-T357 PolarHBondContact O-OG1 3.17Å; F354-A358 WeakPolarHBondContact O-CB 3.29Å; F354-A358 PolarHBondContact O-N 3.11Å
355S76.1Confident71.6Confident25 Ų2572.3 Ų72.318%0.17535%0.346CS..Hα-helixtrans-66.3-37.717661.60000112F351 W352 A358 K359F351-S355 PolarHBondContact O-N 3.25Å; W352-S355 PolarHBondContact O-N 3.11Å; W352-S355 PolarHBondContact O-OG 3.39Å; S355-A358 PolarHBondContact O-N 3.37Å; S355-K359 WeakPolarHBondContact O-CB 3.41Å; S355-K359 PolarHBondContact O-N 3.01Å
356I79.6Confident73.3Confident48 Ų4867.8 Ų67.825%0.24632%0.319CS..Hα-helixtrans-61.6-49.4171.6-63.5164000110.8W352 A358 K359 E360W352-I356 HydrophobicContact CD2-CD1 3.46Å; W352-I356 VanDerWaalsContact CD2-CD1 3.46Å; W352-I356 HydrophobicContact CD2-CG1 4.1Å; W352-I356 VanDerWaalsContact CE2-CD1 3.42Å; W352-I356 HydrophobicContact CE3-CD1 3.37Å; W352-I356 HydrophobicContact CE3-CG1 4.46Å; W352-I356 HydrophobicContact CG-CD1 4.35Å; W352-I356 HydrophobicContact CH2-CD1 3.25Å; W352-I356 HydrophobicContact CH2-CG1 4.3Å; W352-I356 HydrophobicContact CZ2-CD1 3.34Å; W352-I356 HydrophobicContact CZ2-CG1 3.92Å; W352-I356 HydrophobicContact CZ3-CD1 3.25Å; W352-I356 VanDerWaalsContact O-CG1 3.3Å; W352-I356 WeakPolarHBondContact O-CG1 3.42Å; W352-I356 PolarHBondContact O-N 3.41Å; W352-I356 VanDerWaalsContact O-N 3.08Å; I356-A358 VanDerWaalsContact C-N 3.28Å; I356-A358 PolarHBondContact O-N 3.44Å; I356-K359 WeakPolarHBondContact O-CB 3.33Å; I356-K359 PolarHBondContact O-N 3.09Å; I356-K359 VanDerWaalsContact O-N 3.11Å; I356-E360 HydrophobicContact CG2-CG 4.12Å; I356-E360 WeakPolarHBondContact O-CG 3.34Å; I356-E360 PolarHBondContact O-N 3.19Å
357T76.3Confident74.7Confident15 Ų1565.8 Ų65.89%0.09231%0.309CS..Hα-helixtrans-62-39.1179.551.50000111.5K353 F354 K359 E360 F361K353-T357 WeakPolarHBondContact O-CG2 3.33Å; K353-T357 PolarHBondContact O-N 2.77Å; K353-T357 PolarHBondContact O-OG1 3.37Å; F354-T357 WeakPolarHBondContact CA-OG1 3.37Å; F354-T357 PolarHBondContact O-N 3.41Å; F354-T357 PolarHBondContact O-OG1 3.17Å; T357-K359 VanDerWaalsContact C-N 3.3Å; T357-K359 PolarHBondContact O-N 3.28Å; T357-E360 PolarHBondContact O-N 2.67Å; T357-F361 WeakPolarHBondContact O-CB 3.39Å; T357-F361 WeakPolarHBondContact O-CD2 3.26Å; T357-F361 PolarHBondContact O-N 2.88Å
358A73.1Confident76.1Confident0 Ų058.7 Ų58.70%028%0.278CS..Hα-helixtrans-61.1-40.3175.200000111.6M324 F354 S355 I356 F361 E362 W363M324-A358 HydrophobicContact CB-CB 4.02Å; M324-A358 HydrophobicContact SD-CB 4.36Å; F354-A358 WeakPolarHBondContact O-CB 3.29Å; F354-A358 PolarHBondContact O-N 3.11Å; S355-A358 PolarHBondContact O-N 3.37Å; I356-A358 VanDerWaalsContact C-N 3.28Å; I356-A358 PolarHBondContact O-N 3.44Å; A358-F361 CarbonylContact O-C 3.59Å; A358-E362 PolarHBondContact O-N 3.46Å; A358-W363 HydrophobicContact CB-CB 4.05Å; A358-W363 HydrophobicContact CB-CG 4.3Å; A358-W363 WeakPolarHBondContact O-CB 3.38Å; A358-W363 PolarHBondContact O-N 3.22Å
359K76.6Confident77.3Confident94 Ų9456.7 Ų56.741%0.40927%0.274SS..Hα-helixtrans-67.3-46.5175.1-173.1177.5-173.6157.10112.3S355 I356 T357 F361 E362 D404 S405S355-K359 WeakPolarHBondContact O-CB 3.41Å; S355-K359 PolarHBondContact O-N 3.01Å; I356-K359 WeakPolarHBondContact O-CB 3.33Å; I356-K359 PolarHBondContact O-N 3.09Å; I356-K359 VanDerWaalsContact O-N 3.11Å; T357-K359 VanDerWaalsContact C-N 3.3Å; T357-K359 PolarHBondContact O-N 3.28Å; K359-F361 PolarHBondContact O-N 3.18Å; K359-E362 PolarHBondContact O-N 3.01Å; K359-D404 PolarHBondContact NZ-O 3.47Å; K359-S405 WeakPolarHBondContact CD-O 3.36Å; K359-S405 WeakPolarHBondContact CE-O 3.21Å; K359-S405 PolarHBondContact NZ-O 3.33Å
360E80.8Confident78.7Confident130 Ų13050 Ų5061%0.60724%0.239SC*.Hα-helixtrans-60.2-32178-74.2179.117200112.4I356 T357I356-E360 HydrophobicContact CG2-CG 4.12Å; I356-E360 WeakPolarHBondContact O-CG 3.34Å; I356-E360 PolarHBondContact O-N 3.19Å; T357-E360 PolarHBondContact O-N 2.67Å
361F74.9Confident80Confident46 Ų4647.1 Ų47.120%0.20222%0.219CC..THydrogen-bonded Turntrans-101.717.2179.6-66.2-59.4000114.4P315 K317 A320 T357 A358 K359P315-F361 HydrophobicContact CB-CD2 4.33Å; P315-F361 HydrophobicContact CB-CE1 4.43Å; P315-F361 HydrophobicContact CB-CE2 3.3Å; P315-F361 HydrophobicContact CB-CZ 3.37Å; P315-F361 HydrophobicContact CG-CZ 4.33Å; K317-F361 HydrophobicContact CG-CB 4.28Å; K317-F361 HydrophobicContact CG-CD1 3.55Å; K317-F361 HydrophobicContact CG-CE1 4.36Å; K317-F361 HydrophobicContact CG-CG 4.29Å; A320-F361 HydrophobicContact CB-CB 3.79Å; A320-F361 WeakPolarHBondContact CB-O 3.35Å; T357-F361 WeakPolarHBondContact O-CB 3.39Å; T357-F361 WeakPolarHBondContact O-CD2 3.26Å; T357-F361 PolarHBondContact O-N 2.88Å; A358-F361 CarbonylContact O-C 3.59Å; K359-F361 PolarHBondContact O-N 3.18Å
362E84Confident80.8Confident110 Ų11051.6 Ų51.651%0.51424%0.238SC..THydrogen-bonded Turntrans54.357.2172.2-60174.6168.100113.4A358 K359 L364 V365 S366A358-E362 PolarHBondContact O-N 3.46Å; K359-E362 PolarHBondContact O-N 3.01Å; E362-L364 PolarHBondContact O-N 3.12Å; E362-V365 HydrophobicContact CB-CB 4.08Å; E362-V365 HydrophobicContact CB-CG2 3.99Å; E362-V365 WeakPolarHBondContact O-CB 3.36Å; E362-V365 PolarHBondContact O-N 3.01Å; E362-S366 PolarHBondContact O-N 3.29Å; E362-S366 VanDerWaalsContact O-N 3.09Å
363W87.1Confident81.4Confident4 Ų445.6 Ų45.62%0.01522%0.217CC..Hα-helixtrans-52.3-33-177.676.1-86.7000114.7A320 M324 A358 V365 S366 C367 V394 L406A320-W363 HydrophobicContact CB-CB 3.87Å; A320-W363 WeakPolarHBondContact O-CB 3.2Å; M324-W363 HydrophobicContact CB-CB 4.27Å; M324-W363 HydrophobicContact CB-CD2 3.87Å; M324-W363 HydrophobicContact CB-CE3 4.02Å; M324-W363 HydrophobicContact CB-CG 4Å; M324-W363 HydrophobicContact CE-CZ2 4.37Å; M324-W363 HydrophobicContact CG-CD2 3.72Å; M324-W363 HydrophobicContact CG-CE3 3.97Å; M324-W363 HydrophobicContact CG-CG 4.17Å; M324-W363 HydrophobicContact CG-CH2 4.32Å; M324-W363 HydrophobicContact CG-CZ2 4.11Å; M324-W363 HydrophobicContact CG-CZ3 4.26Å; A358-W363 HydrophobicContact CB-CB 4.05Å; A358-W363 HydrophobicContact CB-CG 4.3Å; A358-W363 WeakPolarHBondContact O-CB 3.38Å; A358-W363 PolarHBondContact O-N 3.22Å; W363-V365 PolarHBondContact O-N 3.38Å; W363-S366 WeakPolarHBondContact O-CB 2.98Å; W363-S366 PolarHBondContact O-N 3.13Å; W363-C367 PolarHBondContact O-N 3.13Å; W363-V394 HydrophobicContact CH2-CG2 4.22Å; W363-V394 HydrophobicContact CZ3-CG2 4.32Å; W363-L406 HydrophobicContact CZ2-CD2 4.35Å; W363-L406 PolarHBondContact NE1-O 3.27Å
364L86.3Confident81.8Confident4 Ų438.7 Ų38.72%0.02119%0.187CC..Hα-helixtrans-62-41.6175.2-70.4168.7000112.3E362 S366 C367 T368 L412 L415E362-L364 PolarHBondContact O-N 3.12Å; L364-S366 VanDerWaalsContact C-N 3.34Å; L364-C367 PolarHBondContact O-N 3.28Å; L364-T368 WeakPolarHBondContact O-CB 3.33Å; L364-T368 PolarHBondContact O-N 2.95Å; L364-T368 PolarHBondContact O-OG1 2.64Å; L364-L412 HydrophobicContact CD1-CB 3.92Å; L364-L412 HydrophobicContact CD2-CB 4.39Å; L364-L412 HydrophobicContact CD2-CD1 3.77Å; L364-L415 HydrophobicContact CD2-CD2 3.81Å
365V86.1Confident82.1Confident54 Ų5443.7 Ų43.733%0.32721%0.209SC..Hα-helixtrans-68-39.1175.4179.50000109.7E362 W363 T368 H369 S411E362-V365 HydrophobicContact CB-CB 4.08Å; E362-V365 HydrophobicContact CB-CG2 3.99Å; E362-V365 WeakPolarHBondContact O-CB 3.36Å; E362-V365 PolarHBondContact O-N 3.01Å; W363-V365 PolarHBondContact O-N 3.38Å; V365-T368 PolarHBondContact O-N 3.03Å; V365-H369 WeakPolarHBondContact O-CB 2.93Å; V365-H369 PolarHBondContact O-N 3.35Å; V365-S411 WeakPolarHBondContact CG2-OG 3.17Å
366S85Confident81.7Confident14 Ų1445.1 Ų45.110%0.09822%0.219CC..Hα-helixtrans-59.9-46.6173.9178.90000112.1L318 E362 W363 L364 H369 C370L318-S366 PolarHBondContact O-OG 3.27Å; E362-S366 PolarHBondContact O-N 3.29Å; E362-S366 VanDerWaalsContact O-N 3.09Å; W363-S366 WeakPolarHBondContact O-CB 2.98Å; W363-S366 PolarHBondContact O-N 3.13Å; L364-S366 VanDerWaalsContact C-N 3.34Å; S366-H369 PolarHBondContact O-N 3.08Å; S366-C370 WeakPolarHBondContact O-CB 3.34Å; S366-C370 PolarHBondContact O-N 3.31Å
367C86.8Confident81.3Confident1 Ų143.3 Ų43.31%0.00721%0.209CC..Hα-helixtrans-60.8-47.4174-75.60000111.9A321 W363 L364 H369 C370 L371 V390 L415A321-C367 WeakPolarHBondContact CB-SG 3.43Å; W363-C367 PolarHBondContact O-N 3.13Å; L364-C367 PolarHBondContact O-N 3.28Å; C367-H369 PolarHBondContact O-N 3.24Å; C367-C370 WeakPolarHBondContact O-CB 3.26Å; C367-C370 PolarHBondContact O-N 3.02Å; C367-L371 WeakPolarHBondContact O-CG 3.48Å; C367-L371 PolarHBondContact O-N 3.4Å; C367-V390 HydrophobicContact CB-CG1 4.48Å; C367-L415 HydrophobicContact CB-CD1 3.88Å; C367-L415 HydrophobicContact CB-CD2 3.98Å
368T85.8Confident81.4Confident4 Ų442.9 Ų42.93%0.02521%0.206CC..Hα-helixtrans-62.4-44.2-179.3-56.40000111.1L364 V365 K372 E414 L415 V418L364-T368 WeakPolarHBondContact O-CB 3.33Å; L364-T368 PolarHBondContact O-N 2.95Å; L364-T368 PolarHBondContact O-OG1 2.64Å; V365-T368 PolarHBondContact O-N 3.03Å; T368-K372 HydrophobicContact CG2-CD 4Å; T368-K372 VanDerWaalsContact O-CB 3.32Å; T368-K372 WeakPolarHBondContact O-CB 3.28Å; T368-K372 VanDerWaalsContact O-CG 3.24Å; T368-K372 WeakPolarHBondContact O-CG 3.43Å; T368-K372 PolarHBondContact O-N 3.5Å; T368-E414 HydrophobicContact CG2-CB 4.41Å; T368-L415 WeakPolarHBondContact OG1-CB 3.34Å; T368-V418 HydrophobicContact CG2-CG2 4.31Å
369H85.5Confident81.4Confident88 Ų8844.2 Ų44.241%0.40721%0.214SC..Hα-helixtrans-64.9-44176179-88.9000111.6V365 S366 C367 K372 Q373V365-H369 WeakPolarHBondContact O-CB 2.93Å; V365-H369 PolarHBondContact O-N 3.35Å; S366-H369 PolarHBondContact O-N 3.08Å; C367-H369 PolarHBondContact O-N 3.24Å; H369-K372 PolarHBondContact O-N 2.88Å; H369-Q373 PolarHBondContact CE1-NE2 2.91Å; H369-Q373 PolarHBondContact CE1-OE1 3.34Å; H369-Q373 PolarHBondContact NE2-NE2 2.85Å; H369-Q373 WeakPolarHBondContact O-CB 3.29Å; H369-Q373 WeakPolarHBondContact O-CG 3.27Å; H369-Q373 PolarHBondContact O-N 3.12Å
370C85.9Confident81.3Confident3 Ų343.6 Ų43.62%0.0222%0.215CC..Hα-helixtrans-56.6-53.2175.4-175.10000110.9S265 S366 C367 K372 Q373 L374S265-C370 PolarHBondContact O-SG 3.38Å; S366-C370 WeakPolarHBondContact O-CB 3.34Å; S366-C370 PolarHBondContact O-N 3.31Å; C367-C370 WeakPolarHBondContact O-CB 3.26Å; C367-C370 PolarHBondContact O-N 3.02Å; C370-K372 PolarHBondContact O-N 3.47Å; C370-Q373 PolarHBondContact O-N 2.94Å; C370-L374 WeakPolarHBondContact O-CB 3.13Å; C370-L374 VanDerWaalsContact O-CG 3.23Å; C370-L374 WeakPolarHBondContact O-CG 3.42Å; C370-L374 PolarHBondContact O-N 2.98Å
371L86.8Confident81.3Confident1 Ų140.8 Ų40.81%0.00520%0.204CC..Hα-helixtrans-63.4-41.8178.8-68.6178.3000112.5C367 Q373 L374 K375 Y383 A386 V390 L415 V418 L419C367-L371 WeakPolarHBondContact O-CG 3.48Å; C367-L371 PolarHBondContact O-N 3.4Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3.34Å; L371-L374 PolarHBondContact O-N 2.9Å; L371-K375 WeakPolarHBondContact O-CB 3.19Å; L371-K375 PolarHBondContact O-N 3.39Å; L371-Y383 HydrophobicContact CB-CE2 4.46Å; L371-Y383 WeakPolarHBondContact O-CE2 3.28Å; L371-A386 HydrophobicContact CD2-CB 4.3Å; L371-V390 HydrophobicContact CD1-CB 4.3Å; L371-V390 HydrophobicContact CD1-CG1 4.18Å; L371-V390 HydrophobicContact CD1-CG2 4.34Å; L371-V390 HydrophobicContact CD2-CG2 4.14Å; L371-V390 HydrophobicContact CG-CG2 4.43Å; L371-L415 HydrophobicContact CD1-CD1 3.8Å; L371-V418 HydrophobicContact CB-CG1 3.94Å; L371-V418 HydrophobicContact CD1-CG1 4.18Å; L371-L419 HydrophobicContact CD1-CD2 3.71Å; L371-L419 HydrophobicContact CD1-CG 4.36Å
372K84.5Confident81.7Confident113 Ų11338.6 Ų38.649%0.49119%0.194SC..Hα-helixtrans-61.9-38.9176.2-76.3175.7-179.41720111.9T368 H369 C370 V418T368-K372 HydrophobicContact CG2-CD 4Å; T368-K372 VanDerWaalsContact O-CB 3.32Å; T368-K372 WeakPolarHBondContact O-CB 3.28Å; T368-K372 VanDerWaalsContact O-CG 3.24Å; T368-K372 WeakPolarHBondContact O-CG 3.43Å; T368-K372 PolarHBondContact O-N 3.5Å; H369-K372 PolarHBondContact O-N 2.88Å; C370-K372 PolarHBondContact O-N 3.47Å; K372-V418 HydrophobicContact CG-CG2 4.34Å
373Q81.3Confident81.7Confident48 Ų4834.1 Ų34.122%0.22417%0.173CC..Hα-helixtrans-68.5-47.7174.6-74.5-165.5-25.200111.8G261 S265 H369 C370 L371 K375 S376G261-Q373 PolarHBondContact O-OE1 3.35Å; S265-Q373 PolarHBondContact OG-OE1 2.94Å; H369-Q373 PolarHBondContact CE1-NE2 2.91Å; H369-Q373 PolarHBondContact CE1-OE1 3.34Å; H369-Q373 PolarHBondContact NE2-NE2 2.85Å; H369-Q373 WeakPolarHBondContact O-CB 3.29Å; H369-Q373 WeakPolarHBondContact O-CG 3.27Å; H369-Q373 PolarHBondContact O-N 3.12Å; C370-Q373 PolarHBondContact O-N 2.94Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3.34Å; Q373-K375 VanDerWaalsContact C-N 3.31Å; Q373-K375 PolarHBondContact O-N 2.84Å; Q373-S376 PolarHBondContact O-N 2.95Å; Q373-S376 VanDerWaalsContact O-N 3.09Å; Q373-S376 PolarHBondContact O-OG 3.16Å
374L83.3Confident81.7Confident0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-60.2-38.4179.1-72.2178.8000112.3L266 L269 C370 L371 S376 F377 L378 A386L266-L374 HydrophobicContact CD2-CD2 3.66Å; L266-L374 HydrophobicContact CG-CD2 3.99Å; L269-L374 HydrophobicContact CB-CD1 4.4Å; L269-L374 HydrophobicContact CD2-CD1 4.06Å; C370-L374 WeakPolarHBondContact O-CB 3.13Å; C370-L374 VanDerWaalsContact O-CG 3.23Å; C370-L374 WeakPolarHBondContact O-CG 3.42Å; C370-L374 PolarHBondContact O-N 2.98Å; L371-L374 PolarHBondContact O-N 2.9Å; L374-S376 PolarHBondContact O-N 3.43Å; L374-F377 PolarHBondContact O-N 3.31Å; L374-L378 HydrophobicContact CB-CD1 4Å; L374-L378 HydrophobicContact CB-CG 4.47Å; L374-L378 HydrophobicContact CD1-CD1 4.39Å; L374-L378 HydrophobicContact CD2-CD1 3.85Å; L374-L378 HydrophobicContact CD2-CG 4.2Å; L374-L378 HydrophobicContact CG-CD1 4.29Å; L374-L378 WeakPolarHBondContact O-CB 3.49Å; L374-L378 PolarHBondContact O-N 2.76Å; L374-A386 HydrophobicContact CD1-CB 4.31Å
375K78.9Confident81.7Confident116 Ų11637 Ų3750%0.50419%0.19SC..Hα-helixtrans-55.9-33.6175.2-170.7173.2-177.9168.70113.1L371 Q373 F377 Y383L371-K375 WeakPolarHBondContact O-CB 3.19Å; L371-K375 PolarHBondContact O-N 3.39Å; Q373-K375 VanDerWaalsContact C-N 3.31Å; Q373-K375 PolarHBondContact O-N 2.84Å; K375-F377 VanDerWaalsContact C-N 3.3Å; K375-Y383 HydrophobicContact CB-CD2 3.98Å; K375-Y383 HydrophobicContact CB-CE1 4.46Å; K375-Y383 HydrophobicContact CB-CE2 3.55Å; K375-Y383 HydrophobicContact CD-CE1 4.18Å; K375-Y383 HydrophobicContact CG-CE1 4.13Å; K375-Y383 HydrophobicContact CG-CE2 4.13Å
376S68.3Low81.8Confident54 Ų5434.4 Ų34.438%0.37817%0.174SC..THydrogen-bonded Turntrans-80.5-12.5-18077.10000114.1Q373 L374Q373-S376 PolarHBondContact O-N 2.95Å; Q373-S376 VanDerWaalsContact O-N 3.09Å; Q373-S376 PolarHBondContact O-OG 3.16Å; L374-S376 PolarHBondContact O-N 3.43Å
377F71.2Confident82Confident11 Ų1133.7 Ų33.75%0.04817%0.17CC..THydrogen-bonded Turntrans-118.5-44.3-165.2177.2-93.4000112.9A209 W258 N262 L266 L374 K375 N787A209-F377 HydrophobicContact CB-CE1 4.21Å; A209-F377 HydrophobicContact CB-CE2 4.47Å; A209-F377 HydrophobicContact CB-CZ 3.54Å; W258-F377 AromaticContact CH2-CD2 3.62Å; W258-F377 HydrophobicContact CH2-CD2 3.62Å; W258-F377 HydrophobicContact CH2-CE2 4.03Å; W258-F377 AromaticContact CZ2-CD2 3.93Å; W258-F377 HydrophobicContact CZ2-CD2 3.93Å; N262-F377 HydrophobicContact CB-CD2 3.85Å; N262-F377 HydrophobicContact CB-CE2 4.12Å; N262-F377 HydrophobicContact CB-CG 4.06Å; N262-F377 WeakPolarHBondContact ND2-CD2 3.48Å; L266-F377 HydrophobicContact CD1-CD1 4.36Å; L266-F377 HydrophobicContact CD1-CE1 3.67Å; L266-F377 HydrophobicContact CD1-CZ 4.25Å; L266-F377 HydrophobicContact CG-CE1 4.46Å; L374-F377 PolarHBondContact O-N 3.31Å; K375-F377 VanDerWaalsContact C-N 3.3Å; F377-N787 HydrophobicContact CD2-CB 3.88Å; F377-N787 HydrophobicContact CE1-CB 3.99Å; F377-N787 HydrophobicContact CE2-CB 3.28Å; F377-N787 HydrophobicContact CG-CB 4.5Å; F377-N787 HydrophobicContact CZ-CB 3.31Å; F377-N787 WeakPolarHBondContact CZ-ND2 3.06Å
378L76.6Confident82.1Confident5 Ų534.6 Ų34.63%0.02618%0.179CC..SBendtrans-83.5159.8-176.5-70.3-179.3000112.1T213 L266 L374 T382T213-L378 HydrophobicContact CG2-CD2 4.39Å; L266-L378 HydrophobicContact CD2-CD1 4.31Å; L266-L378 HydrophobicContact CD2-CD2 3.98Å; L266-L378 HydrophobicContact CD2-CG 4.45Å; L374-L378 HydrophobicContact CB-CD1 4Å; L374-L378 HydrophobicContact CB-CG 4.47Å; L374-L378 HydrophobicContact CD1-CD1 4.39Å; L374-L378 HydrophobicContact CD2-CD1 3.85Å; L374-L378 HydrophobicContact CD2-CG 4.2Å; L374-L378 HydrophobicContact CG-CD1 4.29Å; L374-L378 WeakPolarHBondContact O-CB 3.49Å; L374-L378 PolarHBondContact O-N 2.76Å; L378-T382 HydrophobicContact CD1-CG2 3.69Å; L378-T382 HydrophobicContact CD2-CG2 3.92Å; L378-T382 HydrophobicContact CG-CG2 4.31Å
379D73.6Confident82.2Confident29 Ų2934.7 Ų34.716%0.15518%0.179CC..  trans-71.2157.8162.461-57.2000111.4K149 D381 T382 Y383K149-D379 WeakPolarHBondContact CE-OD2 3.27Å; K149-D379 VanDerWaalsContact NZ-CG 3.31Å; K149-D379 IonicContact NZ-OD1 3.82Å; K149-D379 IonicContact NZ-OD2 3.96Å; K149-D379 PolarHBondContact NZ-OD2 3.38Å; D379-D381 VanDerWaalsContact C-N 3.29Å; D379-D381 PolarHBondContact O-N 3.08Å; D379-T382 PolarHBondContact O-N 3.15Å; D379-T382 WeakPolarHBondContact OD1-CB 3.14Å; D379-T382 PolarHBondContact OD1-OG1 3.42Å; D379-T382 PolarHBondContact OD2-OG1 3.37Å; D379-Y383 WeakPolarHBondContact O-CB 3.24Å; D379-Y383 PolarHBondContact O-N 2.75Å
380D75.4Confident82.4Confident81 Ų8130.6 Ų30.643%0.43316%0.16SC..Hα-helixtrans-58.9-40.3-172.4-60.4-36.7000112.1Y383 V384D380-Y383 PolarHBondContact O-N 3.4Å; D380-V384 WeakPolarHBondContact O-CB 3.31Å; D380-V384 VanDerWaalsContact O-CG2 3.25Å; D380-V384 WeakPolarHBondContact O-CG2 3.38Å; D380-V384 PolarHBondContact O-N 3.24Å
381D79.7Confident82.6Confident70 Ų7031 Ų3137%0.37416%0.162SC..Hα-helixtrans-62.6-48178.8-64.2-23.5000111.9F153 W217 D379 Y383 V384 M385F153-D381 HydrophobicContact CE2-CB 3.94Å; F153-D381 HydrophobicContact CZ-CB 3.87Å; W217-D381 HydrophobicContact CH2-CB 4.42Å; W217-D381 HydrophobicContact CZ2-CB 4.14Å; D379-D381 VanDerWaalsContact C-N 3.29Å; D379-D381 PolarHBondContact O-N 3.08Å; D381-Y383 VanDerWaalsContact C-N 3.3Å; D381-Y383 PolarHBondContact O-N 3.28Å; D381-V384 PolarHBondContact O-N 3.42Å; D381-M385 PolarHBondContact O-N 3.02Å
382T82.8Confident82.6Confident1 Ų132.7 Ų32.71%0.00617%0.172CC..Hα-helixtrans-67.3-34.7177.9-47.90000111T213 W217 L378 D379 M385 A386T213-T382 HydrophobicContact CG2-CG2 4.18Å; W217-T382 PolarHBondContact NE1-OG1 3.45Å; L378-T382 HydrophobicContact CD1-CG2 3.69Å; L378-T382 HydrophobicContact CD2-CG2 3.92Å; L378-T382 HydrophobicContact CG-CG2 4.31Å; D379-T382 PolarHBondContact O-N 3.15Å; D379-T382 WeakPolarHBondContact OD1-CB 3.14Å; D379-T382 PolarHBondContact OD1-OG1 3.42Å; D379-T382 PolarHBondContact OD2-OG1 3.37Å; T382-M385 HydrophobicContact CG2-CE 3.74Å; T382-M385 PolarHBondContact O-N 3.03Å; T382-A386 WeakPolarHBondContact O-CB 3.3Å; T382-A386 PolarHBondContact O-N 3.36Å
383Y85.7Confident82.8Confident15 Ų1527.3 Ų27.36%0.05915%0.149CC..Hα-helixtrans-66.2-43.5175178.9-110000112.1L371 K375 D379 D380 D381 M385 A386 C387 V418L371-Y383 HydrophobicContact CB-CE2 4.46Å; L371-Y383 WeakPolarHBondContact O-CE2 3.28Å; K375-Y383 HydrophobicContact CB-CD2 3.98Å; K375-Y383 HydrophobicContact CB-CE1 4.46Å; K375-Y383 HydrophobicContact CB-CE2 3.55Å; K375-Y383 HydrophobicContact CD-CE1 4.18Å; K375-Y383 HydrophobicContact CG-CE1 4.13Å; K375-Y383 HydrophobicContact CG-CE2 4.13Å; D379-Y383 WeakPolarHBondContact O-CB 3.24Å; D379-Y383 PolarHBondContact O-N 2.75Å; D380-Y383 PolarHBondContact O-N 3.4Å; D381-Y383 VanDerWaalsContact C-N 3.3Å; D381-Y383 PolarHBondContact O-N 3.28Å; Y383-M385 VanDerWaalsContact C-N 3.33Å; Y383-M385 PolarHBondContact O-N 3.06Å; Y383-A386 WeakPolarHBondContact O-CB 3.48Å; Y383-A386 PolarHBondContact O-N 3.45Å; Y383-C387 PolarHBondContact O-N 3.06Å; Y383-C387 PolarHBondContact O-SG 3.39Å; Y383-V418 VanDerWaalsContact OH-CG1 3.31Å; Y383-V418 WeakPolarHBondContact OH-CG1 3.48Å
384V85.9Confident83.1Confident55 Ų5525.1 Ų25.133%0.33314%0.138SC..Hα-helixtrans-60.9-42.9175169.40000110.7D380 D381 C387 G388 S424D380-V384 WeakPolarHBondContact O-CB 3.31Å; D380-V384 VanDerWaalsContact O-CG2 3.25Å; D380-V384 WeakPolarHBondContact O-CG2 3.38Å; D380-V384 PolarHBondContact O-N 3.24Å; D381-V384 PolarHBondContact O-N 3.42Å; V384-C387 PolarHBondContact O-N 2.91Å; V384-G388 PolarHBondContact O-N 2.6Å; V384-S424 WeakPolarHBondContact CG1-OG 3.46Å
385M86.7Confident83.3Confident13 Ų1326.2 Ų26.26%0.06414%0.144CC..Hα-helixtrans-61.9-43.7174.1175.9-74.6-58.500111.6V216 W217 H220 L269 D381 T382 Y383 C387 G388 T389V216-M385 HydrophobicContact CG1-CE 3.29Å; V216-M385 HydrophobicContact CG1-SD 3.99Å; W217-M385 HydrophobicContact CH2-CB 4.49Å; H220-M385 VanDerWaalsContact CD2-CG 3.49Å; H220-M385 WeakPolarHBondContact CD2-CG 3.29Å; L269-M385 HydrophobicContact CD2-CE 4.3Å; D381-M385 PolarHBondContact O-N 3.02Å; T382-M385 HydrophobicContact CG2-CE 3.74Å; T382-M385 PolarHBondContact O-N 3.03Å; Y383-M385 VanDerWaalsContact C-N 3.33Å; Y383-M385 PolarHBondContact O-N 3.06Å; M385-C387 PolarHBondContact O-N 3.35Å; M385-G388 PolarHBondContact O-N 2.89Å; M385-G388 VanDerWaalsContact O-N 3.17Å; M385-T389 PolarHBondContact O-N 3.36Å; M385-T389 PolarHBondContact O-OG1 3.3Å
386A88.3Confident83.7Confident0 Ų022.4 Ų22.40%013%0.128CC..Hα-helixtrans-62.3-43.8177.200000112.4L269 L371 L374 T382 Y383 G388 T389 V390L269-A386 HydrophobicContact CD1-CB 3.78Å; L269-A386 HydrophobicContact CD2-CB 3.73Å; L269-A386 HydrophobicContact CG-CB 4.43Å; L371-A386 HydrophobicContact CD2-CB 4.3Å; L374-A386 HydrophobicContact CD1-CB 4.31Å; T382-A386 WeakPolarHBondContact O-CB 3.3Å; T382-A386 PolarHBondContact O-N 3.36Å; Y383-A386 WeakPolarHBondContact O-CB 3.48Å; Y383-A386 PolarHBondContact O-N 3.45Å; A386-G388 VanDerWaalsContact C-N 3.34Å; A386-T389 PolarHBondContact O-N 3.47Å; A386-V390 WeakPolarHBondContact O-CG2 3.38Å; A386-V390 PolarHBondContact O-N 3.33Å; A386-V390 VanDerWaalsContact O-N 3.1Å
387C89.6Confident84.5Confident0 Ų019.8 Ų19.80%011%0.11CC..Hα-helixtrans-61.7-41.5172.8-73.80000111.6Y383 V384 M385 V390 Y391 L419 C422 I425Y383-C387 PolarHBondContact O-N 3.06Å; Y383-C387 PolarHBondContact O-SG 3.39Å; V384-C387 PolarHBondContact O-N 2.91Å; M385-C387 PolarHBondContact O-N 3.35Å; C387-V390 PolarHBondContact O-N 2.99Å; C387-Y391 WeakPolarHBondContact O-CB 3.24Å; C387-Y391 PolarHBondContact O-N 3.48Å; C387-L419 HydrophobicContact CB-CD2 3.95Å; C387-L419 WeakPolarHBondContact O-CD2 3.28Å; C387-C422 HydrophobicContact CB-CB 4.42Å; C387-C422 WeakPolarHBondContact CB-SG 3.49Å; C387-C422 PolarHBondContact SG-SG 3.05Å; C387-I425 HydrophobicContact CB-CD1 3.7Å
388G88Confident85.2Confident19 Ų1920.7 Ų20.720%0.19612%0.115CC..Hα-helixtrans-58.9-46.7175.900000112.5V384 M385 A386 V390 Y391 V392V384-G388 PolarHBondContact O-N 2.6Å; M385-G388 PolarHBondContact O-N 2.89Å; M385-G388 VanDerWaalsContact O-N 3.17Å; A386-G388 VanDerWaalsContact C-N 3.34Å; G388-V390 PolarHBondContact O-N 3.24Å; G388-Y391 WeakPolarHBondContact O-CB 3.42Å; G388-Y391 PolarHBondContact O-N 3.25Å; G388-V392 WeakPolarHBondContact O-CG2 3.22Å; G388-V392 PolarHBondContact O-N 3.36Å
389T87.8Confident85.5Confident7 Ų724.2 Ų24.24%0.04314%0.14CC..Hα-helixtrans-62.7-40.1176.7-64.90000112.3M272 K273 E278 F325 M385 A386 A393M272-T389 HydrophobicContact CB-CG2 4.47Å; K273-T389 HydrophobicContact CD-CG2 4.21Å; K273-T389 PolarHBondContact NZ-OG1 3.14Å; E278-T389 VanDerWaalsContact OE1-CA 3.3Å; E278-T389 WeakPolarHBondContact OE1-CA 3.28Å; E278-T389 WeakPolarHBondContact OE1-CB 3.44Å; E278-T389 PolarHBondContact OE1-OG1 3.29Å; F325-T389 HydrophobicContact CE1-CG2 4.25Å; M385-T389 PolarHBondContact O-N 3.36Å; M385-T389 PolarHBondContact O-OG1 3.3Å; A386-T389 PolarHBondContact O-N 3.47Å; T389-A393 PolarHBondContact O-N 3.02Å
390V90.3Very high85.8Confident1 Ų125.1 Ų25.11%0.00615%0.145CC..Hα-helixtrans-70.1-40.9175.9177.30000111.9M272 F325 C367 L371 A386 C387 G388 A393 V394 L415 L419M272-V390 HydrophobicContact CE-CG2 4.33Å; M272-V390 HydrophobicContact SD-CG2 4.3Å; F325-V390 HydrophobicContact CZ-CG2 4.24Å; C367-V390 HydrophobicContact CB-CG1 4.48Å; L371-V390 HydrophobicContact CD1-CB 4.3Å; L371-V390 HydrophobicContact CD1-CG1 4.18Å; L371-V390 HydrophobicContact CD1-CG2 4.34Å; L371-V390 HydrophobicContact CD2-CG2 4.14Å; L371-V390 HydrophobicContact CG-CG2 4.43Å; A386-V390 WeakPolarHBondContact O-CG2 3.38Å; A386-V390 PolarHBondContact O-N 3.33Å; A386-V390 VanDerWaalsContact O-N 3.1Å; C387-V390 PolarHBondContact O-N 2.99Å; G388-V390 PolarHBondContact O-N 3.24Å; V390-A393 PolarHBondContact O-N 3.28Å; V390-V394 HydrophobicContact CG1-CG2 4.01Å; V390-V394 WeakPolarHBondContact O-CB 3.17Å; V390-V394 VanDerWaalsContact O-CG2 3.26Å; V390-V394 WeakPolarHBondContact O-CG2 3.32Å; V390-V394 PolarHBondContact O-N 3.03Å; V390-L415 HydrophobicContact CG1-CD1 4.24Å; V390-L415 HydrophobicContact CG1-CD2 4.4Å; V390-L419 HydrophobicContact CB-CD2 4.16Å; V390-L419 HydrophobicContact CG1-CD1 4.32Å; V390-L419 HydrophobicContact CG1-CD2 4.19Å
391Y90Very high86Confident13 Ų1323.7 Ų23.75%0.05114%0.135CC..Hα-helixtrans-57.9-49.5177.6167.6-109.5000112.2C387 G388 A393 V394 N395 I425 D428 V429 I438C387-Y391 WeakPolarHBondContact O-CB 3.24Å; C387-Y391 PolarHBondContact O-N 3.48Å; G388-Y391 WeakPolarHBondContact O-CB 3.42Å; G388-Y391 PolarHBondContact O-N 3.25Å; Y391-A393 VanDerWaalsContact C-N 3.32Å; Y391-A393 PolarHBondContact O-N 3.28Å; Y391-V394 PolarHBondContact O-N 3.27Å; Y391-N395 WeakPolarHBondContact CE1-ND2 3.46Å; Y391-N395 WeakPolarHBondContact CE2-ND2 3.31Å; Y391-N395 WeakPolarHBondContact O-CB 3.31Å; Y391-N395 PolarHBondContact O-N 2.71Å; Y391-N395 PolarHBondContact OH-ND2 3.07Å; Y391-N395 VanDerWaalsContact OH-ND2 3.12Å; Y391-I425 HydrophobicContact CD1-CG1 4.36Å; Y391-I425 HydrophobicContact CD1-CG2 4.37Å; Y391-I425 HydrophobicContact CD2-CG2 3.54Å; Y391-I425 HydrophobicContact CE2-CG2 3.71Å; Y391-I425 HydrophobicContact CG-CD1 4.21Å; Y391-I425 HydrophobicContact CG-CG1 4.22Å; Y391-I425 HydrophobicContact CG-CG2 3.89Å; Y391-D428 WeakPolarHBondContact CE1-OD2 3.3Å; Y391-D428 VanDerWaalsContact CZ-OD2 3.26Å; Y391-D428 PolarHBondContact OH-OD2 3.42Å; Y391-V429 HydrophobicContact CE2-CG2 4.26Å; Y391-I438 HydrophobicContact CD2-CD1 3.79Å; Y391-I438 HydrophobicContact CD2-CG1 4.42Å; Y391-I438 HydrophobicContact CE2-CB 4.29Å; Y391-I438 HydrophobicContact CE2-CD1 4.26Å; Y391-I438 HydrophobicContact CE2-CG1 4.45Å
392V87.1Confident85.9Confident36 Ų3627.9 Ų27.922%0.21815%0.152CC..Hα-helixtrans-61.6-43.7178.7177.90000110.6I277 E278 A281 G388 N395 Q396I277-V392 HydrophobicContact CG2-CG1 4.47Å; E278-V392 HydrophobicContact CG-CB 4.08Å; E278-V392 HydrophobicContact CG-CG1 4.08Å; E278-V392 HydrophobicContact CG-CG2 4.12Å; A281-V392 HydrophobicContact CB-CG1 4.2Å; G388-V392 WeakPolarHBondContact O-CG2 3.22Å; G388-V392 PolarHBondContact O-N 3.36Å; V392-N395 PolarHBondContact O-N 3.38Å; V392-Q396 WeakPolarHBondContact O-CG 3.1Å; V392-Q396 PolarHBondContact O-N 3.13Å
393A87.3Confident85.5Confident0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-63.5-42.8177.800000113.2I277 F325 T389 V390 Y391 Q396 C397I277-A393 HydrophobicContact CD1-CB 3.71Å; I277-A393 HydrophobicContact CG2-CB 4.43Å; F325-A393 HydrophobicContact CD1-CB 3.94Å; F325-A393 HydrophobicContact CD2-CB 4.25Å; F325-A393 HydrophobicContact CE1-CB 3.32Å; F325-A393 HydrophobicContact CE2-CB 3.71Å; F325-A393 HydrophobicContact CG-CB 4.38Å; F325-A393 HydrophobicContact CZ-CB 3.22Å; T389-A393 PolarHBondContact O-N 3.02Å; V390-A393 PolarHBondContact O-N 3.28Å; Y391-A393 VanDerWaalsContact C-N 3.32Å; Y391-A393 PolarHBondContact O-N 3.28Å; A393-Q396 PolarHBondContact O-N 2.88Å; A393-C397 PolarHBondContact O-N 3.22Å; A393-C397 PolarHBondContact O-SG 3.46Å
394V88.6Confident84.9Confident1 Ų135.1 Ų35.11%0.00619%0.191CC..Hα-helixtrans-65.4-41.3177.2172.50000110.8W363 V390 Y391 Q396 C397 L398 L412 L415 I438W363-V394 HydrophobicContact CH2-CG2 4.22Å; W363-V394 HydrophobicContact CZ3-CG2 4.32Å; V390-V394 HydrophobicContact CG1-CG2 4.01Å; V390-V394 WeakPolarHBondContact O-CB 3.17Å; V390-V394 VanDerWaalsContact O-CG2 3.26Å; V390-V394 WeakPolarHBondContact O-CG2 3.32Å; V390-V394 PolarHBondContact O-N 3.03Å; Y391-V394 PolarHBondContact O-N 3.27Å; V394-Q396 VanDerWaalsContact C-N 3.3Å; V394-Q396 PolarHBondContact O-N 3.43Å; V394-C397 WeakPolarHBondContact O-CB 3.29Å; V394-C397 PolarHBondContact O-N 3.41Å; V394-C397 VanDerWaalsContact O-N 3.08Å; V394-L398 HydrophobicContact CG1-CD1 4.05Å; V394-L398 HydrophobicContact CG1-CG 4.38Å; V394-L398 WeakPolarHBondContact O-CG 3.38Å; V394-L398 PolarHBondContact O-N 3.15Å; V394-L412 HydrophobicContact CG1-CD1 4.1Å; V394-L415 HydrophobicContact CG2-CD2 3.72Å; V394-I438 HydrophobicContact CB-CD1 4.33Å; V394-I438 HydrophobicContact CG1-CD1 3.85Å; V394-I438 HydrophobicContact CG1-CG1 3.92Å
395N87.9Confident84.5Confident23 Ų2334.7 Ų34.712%0.12319%0.191CC..Hα-helixtrans-59.6-41174.1-81.7-7.5000112.1Y391 V392 L398 S399 G437 I438Y391-N395 WeakPolarHBondContact CE1-ND2 3.46Å; Y391-N395 WeakPolarHBondContact CE2-ND2 3.31Å; Y391-N395 WeakPolarHBondContact O-CB 3.31Å; Y391-N395 PolarHBondContact O-N 2.71Å; Y391-N395 PolarHBondContact OH-ND2 3.07Å; Y391-N395 VanDerWaalsContact OH-ND2 3.12Å; V392-N395 PolarHBondContact O-N 3.38Å; N395-L398 PolarHBondContact O-N 3.02Å; N395-S399 PolarHBondContact O-N 3.44Å; N395-S399 VanDerWaalsContact O-N 3.08Å; N395-S399 PolarHBondContact O-OG 3.05Å; N395-G437 VanDerWaalsContact OD1-CA 3.29Å; N395-G437 WeakPolarHBondContact OD1-CA 3.48Å; N395-I438 WeakPolarHBondContact OD1-CG1 3.49Å; N395-I438 PolarHBondContact OD1-N 3.14Å
396Q86.1Confident84Confident36 Ų3634.4 Ų34.417%0.16819%0.19CC..Hα-helixtrans-68.5-34.3173.5-61.9-49.1-4600112.3I277 A281 V328 M332 V392 A393 V394 L398 S399 L400I277-Q396 HydrophobicContact CG2-CB 4.42Å; I277-Q396 HydrophobicContact CG2-CG 3.96Å; A281-Q396 HydrophobicContact CB-CG 4.13Å; V328-Q396 HydrophobicContact CG1-CB 4.01Å; M332-Q396 HydrophobicContact CE-CG 3.84Å; M332-Q396 HydrophobicContact SD-CB 4.23Å; M332-Q396 HydrophobicContact SD-CG 4.05Å; V392-Q396 WeakPolarHBondContact O-CG 3.1Å; V392-Q396 PolarHBondContact O-N 3.13Å; A393-Q396 PolarHBondContact O-N 2.88Å; V394-Q396 VanDerWaalsContact C-N 3.3Å; V394-Q396 PolarHBondContact O-N 3.43Å; Q396-L398 VanDerWaalsContact C-N 3.33Å; Q396-L398 PolarHBondContact O-N 3.38Å; Q396-S399 WeakPolarHBondContact CA-OG 3.31Å; Q396-S399 PolarHBondContact O-N 2.65Å; Q396-S399 PolarHBondContact O-OG 3.47Å; Q396-L400 VanDerWaalsContact O-CB 3.28Å; Q396-L400 WeakPolarHBondContact O-CB 3.39Å; Q396-L400 WeakPolarHBondContact O-CD1 3.4Å; Q396-L400 WeakPolarHBondContact O-CG 3.28Å; Q396-L400 PolarHBondContact O-N 3.21Å
397C85.9Confident83.5Confident0 Ų035.7 Ų35.70%020%0.203CC..Hα-helixtrans-62.9-42.3173.2-66.70000111.6M324 V328 A393 V394 S399 L400 F401 L406M324-C397 HydrophobicContact CE-CB 4.22Å; M324-C397 VanDerWaalsContact CE-SG 3.58Å; V328-C397 WeakPolarHBondContact CG2-SG 3.47Å; A393-C397 PolarHBondContact O-N 3.22Å; A393-C397 PolarHBondContact O-SG 3.46Å; V394-C397 WeakPolarHBondContact O-CB 3.29Å; V394-C397 PolarHBondContact O-N 3.41Å; V394-C397 VanDerWaalsContact O-N 3.08Å; C397-S399 VanDerWaalsContact C-N 3.32Å; C397-L400 PolarHBondContact O-N 2.92Å; C397-F401 HydrophobicContact CB-CD2 4.43Å; C397-F401 WeakPolarHBondContact O-CB 3.15Å; C397-F401 WeakPolarHBondContact O-CD2 3.37Å; C397-F401 PolarHBondContact O-N 3.21Å; C397-L406 HydrophobicContact CB-CD1 4.45Å; C397-L406 HydrophobicContact CB-CD2 3.89Å
398L85.5Confident83.1Confident29 Ų2939.9 Ų39.915%0.15223%0.226CC..Hα-helixtrans-69.3-28.5179.8-69.4171.4000112.9V394 N395 Q396 L403 L406 L412 G437 I438V394-L398 HydrophobicContact CG1-CD1 4.05Å; V394-L398 HydrophobicContact CG1-CG 4.38Å; V394-L398 WeakPolarHBondContact O-CG 3.38Å; V394-L398 PolarHBondContact O-N 3.15Å; N395-L398 PolarHBondContact O-N 3.02Å; Q396-L398 VanDerWaalsContact C-N 3.33Å; Q396-L398 PolarHBondContact O-N 3.38Å; L398-L403 HydrophobicContact CD2-CD2 3.54Å; L398-L403 HydrophobicContact CD2-CG 4.35Å; L398-L406 HydrophobicContact CD2-CD1 3.76Å; L398-L406 HydrophobicContact CG-CD1 4.49Å; L398-L412 HydrophobicContact CD2-CD2 4.07Å; L398-G437 VanDerWaalsContact CD1-C 3.45Å; L398-I438 HydrophobicContact CD1-CG1 4.05Å
399S82.9Confident82.9Confident80 Ų8042 Ų4256%0.55923%0.228SC*.Hα-helixtrans-81.2-33.9175.464.60000113.1N395 Q396 C397N395-S399 PolarHBondContact O-N 3.44Å; N395-S399 VanDerWaalsContact O-N 3.08Å; N395-S399 PolarHBondContact O-OG 3.05Å; Q396-S399 WeakPolarHBondContact CA-OG 3.31Å; Q396-S399 PolarHBondContact O-N 2.65Å; Q396-S399 PolarHBondContact O-OG 3.47Å; C397-S399 VanDerWaalsContact C-N 3.32Å
400L80.3Confident82.7Confident47 Ų4747.7 Ų47.725%0.24625%0.254CS..Hα-helixtrans-90-30.2-174.3-65.4174000114V328 E331 M332 L335 Q396 C397V328-L400 HydrophobicContact CG1-CD1 4.3Å; E331-L400 HydrophobicContact CB-CD1 4.41Å; E331-L400 HydrophobicContact CG-CD1 4.16Å; E331-L400 HydrophobicContact CG-CD2 4.43Å; M332-L400 HydrophobicContact CG-CD1 3.87Å; L335-L400 HydrophobicContact CD1-CD2 3.34Å; Q396-L400 VanDerWaalsContact O-CB 3.28Å; Q396-L400 WeakPolarHBondContact O-CB 3.39Å; Q396-L400 WeakPolarHBondContact O-CD1 3.4Å; Q396-L400 WeakPolarHBondContact O-CG 3.28Å; Q396-L400 PolarHBondContact O-N 3.21Å; C397-L400 PolarHBondContact O-N 2.92Å
401F79.9Confident82.5Confident52 Ų5248.3 Ų48.323%0.22826%0.258CS..SBendtrans-120.1147.3-173-59-79.4000112M324 V328 C397 L406M324-F401 HydrophobicContact CE-CD2 3.82Å; M324-F401 HydrophobicContact CE-CE2 3.65Å; M324-F401 HydrophobicContact CE-CZ 4.3Å; V328-F401 HydrophobicContact CG2-CE2 4.11Å; C397-F401 HydrophobicContact CB-CD2 4.43Å; C397-F401 WeakPolarHBondContact O-CB 3.15Å; C397-F401 WeakPolarHBondContact O-CD2 3.37Å; C397-F401 PolarHBondContact O-N 3.21Å; F401-L406 HydrophobicContact CB-CD2 3.66Å; F401-L406 HydrophobicContact CB-CG 3.97Å; F401-L406 HydrophobicContact CD2-CD2 3.93Å; F401-L406 HydrophobicContact CG-CD2 4.01Å
402E77.8Confident82.4Confident157 Ų15747.9 Ų47.973%0.73426%0.257SS*.  trans-63.4137.6170.8-66.7179.5176.400110.4D404 S405E402-D404 VanDerWaalsContact C-N 3.29Å; E402-D404 PolarHBondContact O-N 3.23Å; E402-S405 WeakPolarHBondContact O-CA 3.23Å; E402-S405 VanDerWaalsContact O-CB 3.28Å; E402-S405 WeakPolarHBondContact O-CB 3.36Å; E402-S405 PolarHBondContact O-N 3.48Å; E402-S405 PolarHBondContact O-OG 3.35Å
403L73.8Confident82.3Confident49 Ų4946.5 Ų46.526%0.25725%0.249SC..G310 helixtrans-51.5-43.4-177.1-83.1150000113.5L398 S405 L406 L412 L441L398-L403 HydrophobicContact CD2-CD2 3.54Å; L398-L403 HydrophobicContact CD2-CG 4.35Å; L403-S405 PolarHBondContact O-N 3.37Å; L403-L406 PolarHBondContact O-N 2.69Å; L403-L412 HydrophobicContact CD2-CD2 4.05Å; L403-L441 HydrophobicContact CD2-CD1 4.37Å
404D73.9Confident82.3Confident119 Ų11950.4 Ų50.464%0.63627%0.267SS*.G310 helixtrans-69.4-17-179.3-58.9-34.8000112.7K359 E402K359-D404 PolarHBondContact NZ-O 3.47Å; E402-D404 VanDerWaalsContact C-N 3.29Å; E402-D404 PolarHBondContact O-N 3.23Å
405S76.2Confident82.4Confident47 Ų4750.4 Ų50.433%0.32927%0.267SS..G310 helixtrans-82.9-25.3178.180.10000112.8K359 E402 L403 G407K359-S405 WeakPolarHBondContact CD-O 3.36Å; K359-S405 WeakPolarHBondContact CE-O 3.21Å; K359-S405 PolarHBondContact NZ-O 3.33Å; E402-S405 WeakPolarHBondContact O-CA 3.23Å; E402-S405 VanDerWaalsContact O-CB 3.28Å; E402-S405 WeakPolarHBondContact O-CB 3.36Å; E402-S405 PolarHBondContact O-N 3.48Å; E402-S405 PolarHBondContact O-OG 3.35Å; L403-S405 PolarHBondContact O-N 3.37Å; S405-G407 PolarHBondContact O-N 3.26Å
406L76.3Confident82.5Confident6 Ų649.4 Ų49.43%0.03126%0.261CS..SBendtrans-75.3-22.4-169.6-73.7171.9000115.2M324 W363 C397 L398 F401 L403M324-L406 HydrophobicContact CE-CD2 3.64Å; W363-L406 HydrophobicContact CZ2-CD2 4.35Å; W363-L406 PolarHBondContact NE1-O 3.27Å; C397-L406 HydrophobicContact CB-CD1 4.45Å; C397-L406 HydrophobicContact CB-CD2 3.89Å; L398-L406 HydrophobicContact CD2-CD1 3.76Å; L398-L406 HydrophobicContact CG-CD1 4.49Å; F401-L406 HydrophobicContact CB-CD2 3.66Å; F401-L406 HydrophobicContact CB-CG 3.97Å; F401-L406 HydrophobicContact CD2-CD2 3.93Å; F401-L406 HydrophobicContact CG-CD2 4.01Å; L403-L406 PolarHBondContact O-N 2.69Å
407G77.7Confident82.6Confident28 Ų2850.9 Ų50.929%0.28927%0.268SS..SBendtrans142.5-159.6-179.400000112.6S405 Y409S405-G407 PolarHBondContact O-N 3.26Å; G407-Y409 PolarHBondContact O-N 3.04Å
408N81.5Confident82.6Confident87 Ų8751.6 Ų51.647%0.46527%0.273SS..  trans-69.3126.6173.2-174.49.5000110E410 S411 L412N408-E410 VanDerWaalsContact C-N 3.27Å; N408-E410 PolarHBondContact ND2-OE2 3.05Å; N408-E410 PolarHBondContact O-N 3.31Å; N408-E410 PolarHBondContact OD1-N 3.4Å; N408-S411 PolarHBondContact O-N 3.05Å; N408-L412 PolarHBondContact O-N 3.36Å
409Y83.3Confident82.8Confident65 Ų6550.2 Ų50.226%0.25527%0.266SS..Hα-helixtrans-59.1-37.1178.3-178.8-103.2000112.4G407 S411 L412 L413 L441 T445 F537G407-Y409 PolarHBondContact O-N 3.04Å; Y409-S411 VanDerWaalsContact C-N 3.32Å; Y409-S411 PolarHBondContact O-N 3.5Å; Y409-L412 WeakPolarHBondContact O-CB 3.31Å; Y409-L412 PolarHBondContact O-N 3.32Å; Y409-L412 VanDerWaalsContact O-N 3.16Å; Y409-L413 HydrophobicContact CD1-CD1 3.79Å; Y409-L413 HydrophobicContact CD1-CG 4.29Å; Y409-L413 HydrophobicContact CE1-CD1 3.29Å; Y409-L413 HydrophobicContact CE1-CD2 4.39Å; Y409-L413 HydrophobicContact CE1-CG 3.89Å; Y409-L413 PolarHBondContact O-N 2.98Å; Y409-L441 HydrophobicContact CE2-CD1 3.56Å; Y409-T445 PolarHBondContact OH-OG1 3.29Å; Y409-F537 AromaticContact CE1-CE1 3.95Å; Y409-F537 HydrophobicContact CE1-CE1 3.95Å; Y409-F537 AromaticContact CE1-CZ 3.85Å; Y409-F537 HydrophobicContact CE1-CZ 3.85Å; Y409-F537 AromaticContact CZ-CZ 3.88Å
410E85Confident83Confident126 Ų12646.4 Ų46.459%0.58924%0.239SC*.Hα-helixtrans-61.5-40.9177.4-62.5178158.800111.7N408 L412 L413 E414N408-E410 VanDerWaalsContact C-N 3.27Å; N408-E410 PolarHBondContact ND2-OE2 3.05Å; N408-E410 PolarHBondContact O-N 3.31Å; N408-E410 PolarHBondContact OD1-N 3.4Å; E410-L412 VanDerWaalsContact C-N 3.29Å; E410-L412 PolarHBondContact O-N 3.28Å; E410-L413 PolarHBondContact O-N 3.29Å; E410-E414 WeakPolarHBondContact O-CG 3.46Å; E410-E414 PolarHBondContact O-N 3.19Å
411S85.5Confident83.2Confident13 Ų1346 Ų469%0.09124%0.24CC..Hα-helixtrans-67.8-30178.1-530000112.5V365 N408 Y409 L415V365-S411 WeakPolarHBondContact CG2-OG 3.17Å; N408-S411 PolarHBondContact O-N 3.05Å; Y409-S411 VanDerWaalsContact C-N 3.32Å; Y409-S411 PolarHBondContact O-N 3.5Å; S411-L415 WeakPolarHBondContact O-CB 3.49Å; S411-L415 PolarHBondContact O-N 2.72Å
412L87.8Confident83.4Confident5 Ų543.7 Ų43.73%0.02623%0.23CC..Hα-helixtrans-70.4-39.8174.1-178.866.7000111.2L364 V394 L398 L403 N408 Y409 E410 L415 S416 L441L364-L412 HydrophobicContact CD1-CB 3.92Å; L364-L412 HydrophobicContact CD2-CB 4.39Å; L364-L412 HydrophobicContact CD2-CD1 3.77Å; V394-L412 HydrophobicContact CG1-CD1 4.1Å; L398-L412 HydrophobicContact CD2-CD2 4.07Å; L403-L412 HydrophobicContact CD2-CD2 4.05Å; N408-L412 PolarHBondContact O-N 3.36Å; Y409-L412 WeakPolarHBondContact O-CB 3.31Å; Y409-L412 PolarHBondContact O-N 3.32Å; Y409-L412 VanDerWaalsContact O-N 3.16Å; E410-L412 VanDerWaalsContact C-N 3.29Å; E410-L412 PolarHBondContact O-N 3.28Å; L412-L415 PolarHBondContact O-N 3Å; L412-S416 WeakPolarHBondContact O-CB 3.45Å; L412-S416 PolarHBondContact O-N 3.19Å; L412-S416 PolarHBondContact O-OG 3.38Å; L412-L441 HydrophobicContact CD1-CD2 4.5Å; L412-L441 HydrophobicContact CD2-CD1 4.08Å; L412-L441 HydrophobicContact CD2-CD2 3.73Å; L412-L441 HydrophobicContact CG-CD2 3.72Å
413L86.2Confident83.7Confident7 Ų739.7 Ų39.74%0.03721%0.214CC..Hα-helixtrans-66.1-42.8174.5-71.1176.4000112Y409 E410 L415 S416 E417 L441 T445 D455 L459Y409-L413 HydrophobicContact CD1-CD1 3.79Å; Y409-L413 HydrophobicContact CD1-CG 4.29Å; Y409-L413 HydrophobicContact CE1-CD1 3.29Å; Y409-L413 HydrophobicContact CE1-CD2 4.39Å; Y409-L413 HydrophobicContact CE1-CG 3.89Å; Y409-L413 PolarHBondContact O-N 2.98Å; E410-L413 PolarHBondContact O-N 3.29Å; L413-L415 VanDerWaalsContact C-N 3.31Å; L413-L415 PolarHBondContact O-N 2.86Å; L413-S416 PolarHBondContact O-N 2.95Å; L413-E417 PolarHBondContact O-N 3.15Å; L413-L441 HydrophobicContact CD2-CD2 4.37Å; L413-L441 HydrophobicContact CD2-CG 4.36Å; L413-T445 HydrophobicContact CD2-CG2 3.99Å; L413-D455 HydrophobicContact CD1-CB 3.88Å; L413-L459 HydrophobicContact CD2-CD1 4.17Å
414E86.8Confident84.1Confident82 Ų8240.6 Ų40.638%0.38322%0.224SC..Hα-helixtrans-60.2-40.9174.3-73.9-173-175.300112.1T368 E410 E417 V418T368-E414 HydrophobicContact CG2-CB 4.41Å; E410-E414 WeakPolarHBondContact O-CG 3.46Å; E410-E414 PolarHBondContact O-N 3.19Å; E414-E417 PolarHBondContact O-N 3.42Å; E414-V418 WeakPolarHBondContact O-CG2 3.37Å; E414-V418 PolarHBondContact O-N 2.93Å
415L90.1Very high84.6Confident0 Ų035.1 Ų35.10%020%0.195CC..Hα-helixtrans-64.6-43.2174.6-17858.9000111.2L364 C367 T368 L371 V390 V394 S411 L412 L413 E417 V418 L419L364-L415 HydrophobicContact CD2-CD2 3.81Å; C367-L415 HydrophobicContact CB-CD1 3.88Å; C367-L415 HydrophobicContact CB-CD2 3.98Å; T368-L415 WeakPolarHBondContact OG1-CB 3.34Å; L371-L415 HydrophobicContact CD1-CD1 3.8Å; V390-L415 HydrophobicContact CG1-CD1 4.24Å; V390-L415 HydrophobicContact CG1-CD2 4.4Å; V394-L415 HydrophobicContact CG2-CD2 3.72Å; S411-L415 WeakPolarHBondContact O-CB 3.49Å; S411-L415 PolarHBondContact O-N 2.72Å; L412-L415 PolarHBondContact O-N 3Å; L413-L415 VanDerWaalsContact C-N 3.31Å; L413-L415 PolarHBondContact O-N 2.86Å; L415-E417 VanDerWaalsContact C-N 3.34Å; L415-E417 PolarHBondContact O-N 3.22Å; L415-V418 PolarHBondContact O-N 3.42Å; L415-L419 HydrophobicContact CD1-CD1 4.38Å; L415-L419 HydrophobicContact CD1-CG 4.38Å; L415-L419 HydrophobicContact CG-CD1 4.02Å; L415-L419 HydrophobicContact CG-CG 4.44Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.5Å
416S89.7Confident85Confident2 Ų232.9 Ų32.91%0.01418%0.179CC..Hα-helixtrans-64-38.4179-56.60000111.7L412 L413 V418 L419 L420 L441L412-S416 WeakPolarHBondContact O-CB 3.45Å; L412-S416 PolarHBondContact O-N 3.19Å; L412-S416 PolarHBondContact O-OG 3.38Å; L413-S416 PolarHBondContact O-N 2.95Å; S416-V418 VanDerWaalsContact C-N 3.33Å; S416-V418 PolarHBondContact O-N 3.21Å; S416-L419 PolarHBondContact O-N 3.27Å; S416-L420 VanDerWaalsContact O-CB 3.31Å; S416-L420 WeakPolarHBondContact O-CB 3.46Å; S416-L420 WeakPolarHBondContact O-CD1 3.37Å; S416-L420 WeakPolarHBondContact O-CG 2.89Å; S416-L420 PolarHBondContact O-N 3.39Å; S416-L441 WeakPolarHBondContact OG-CD2 3.15Å
417E88.4Confident85.3Confident67 Ų6735 Ų3531%0.31320%0.197SC..Hα-helixtrans-58.3-44.8173.1-173.9-174.8170.200111.2L413 E414 L415 C421 L459 A462L413-E417 PolarHBondContact O-N 3.15Å; E414-E417 PolarHBondContact O-N 3.42Å; L415-E417 VanDerWaalsContact C-N 3.34Å; L415-E417 PolarHBondContact O-N 3.22Å; E417-C421 PolarHBondContact O-N 2.71Å; E417-C421 PolarHBondContact O-SG 3.39Å; E417-L459 HydrophobicContact CB-CD2 4.31Å; E417-A462 HydrophobicContact CG-CB 4.07Å; E417-A462 WeakPolarHBondContact O-CB 3.42Å
418V87Confident85.6Confident16 Ų1636.7 Ų36.710%0.09720%0.199CC..Hα-helixtrans-67.1-42.3178.1176.70000111.6T368 L371 K372 Y383 E414 L415 S416 C421T368-V418 HydrophobicContact CG2-CG2 4.31Å; L371-V418 HydrophobicContact CB-CG1 3.94Å; L371-V418 HydrophobicContact CD1-CG1 4.18Å; K372-V418 HydrophobicContact CG-CG2 4.34Å; Y383-V418 VanDerWaalsContact OH-CG1 3.31Å; Y383-V418 WeakPolarHBondContact OH-CG1 3.48Å; E414-V418 WeakPolarHBondContact O-CG2 3.37Å; E414-V418 PolarHBondContact O-N 2.93Å; L415-V418 PolarHBondContact O-N 3.42Å; S416-V418 VanDerWaalsContact C-N 3.33Å; S416-V418 PolarHBondContact O-N 3.21Å; V418-C421 WeakPolarHBondContact O-CB 3.33Å; V418-C421 PolarHBondContact O-N 2.93Å
419L89Confident85.7Confident0 Ų032.5 Ų32.50%018%0.177CC..Hα-helixtrans-68.1-38.7-180-69.1173.9000112.6L371 C387 V390 L415 S416 C421 C422 I425 I438L371-L419 HydrophobicContact CD1-CD2 3.71Å; L371-L419 HydrophobicContact CD1-CG 4.36Å; C387-L419 HydrophobicContact CB-CD2 3.95Å; C387-L419 WeakPolarHBondContact O-CD2 3.28Å; V390-L419 HydrophobicContact CB-CD2 4.16Å; V390-L419 HydrophobicContact CG1-CD1 4.32Å; V390-L419 HydrophobicContact CG1-CD2 4.19Å; L415-L419 HydrophobicContact CD1-CD1 4.38Å; L415-L419 HydrophobicContact CD1-CG 4.38Å; L415-L419 HydrophobicContact CG-CD1 4.02Å; L415-L419 HydrophobicContact CG-CG 4.44Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.5Å; S416-L419 PolarHBondContact O-N 3.27Å; L419-C421 PolarHBondContact O-N 3.22Å; L419-C422 WeakPolarHBondContact O-CB 3.3Å; L419-C422 PolarHBondContact O-N 3.42Å; L419-C422 VanDerWaalsContact O-N 3.1Å; L419-I425 HydrophobicContact CB-CD1 4.45Å; L419-I425 HydrophobicContact CD2-CD1 4.28Å; L419-I438 HydrophobicContact CD1-CD1 3.49Å; L419-I438 VanDerWaalsContact CD1-CD1 3.49Å
420L87.3Confident85.6Confident0 Ų031.6 Ų31.60%018%0.175CC..THydrogen-bonded Turntrans-71.4-9.7178.2-71167.5000113.6S416 C422 V429 F442 L459 A462 I463 T466S416-L420 VanDerWaalsContact O-CB 3.31Å; S416-L420 WeakPolarHBondContact O-CB 3.46Å; S416-L420 WeakPolarHBondContact O-CD1 3.37Å; S416-L420 WeakPolarHBondContact O-CG 2.89Å; S416-L420 PolarHBondContact O-N 3.39Å; L420-C422 PolarHBondContact O-N 3.46Å; L420-V429 HydrophobicContact CD2-CB 4.48Å; L420-V429 HydrophobicContact CD2-CG2 4.07Å; L420-F442 HydrophobicContact CD1-CD2 3.93Å; L420-L459 HydrophobicContact CD1-CB 4.37Å; L420-L459 HydrophobicContact CD1-CD2 3.79Å; L420-A462 HydrophobicContact CB-CB 4.14Å; L420-I463 HydrophobicContact CB-CG1 3.9Å; L420-I463 HydrophobicContact CD1-CD1 4.25Å; L420-I463 HydrophobicContact CD1-CG1 4.26Å; L420-I463 HydrophobicContact CD2-CD1 4.08Å; L420-I463 HydrophobicContact CD2-CG1 4.05Å; L420-I463 HydrophobicContact CG-CG1 4.29Å; L420-T466 WeakPolarHBondContact O-CG2 3.21Å
421C84.4Confident85.5Confident38 Ų3829.5 Ų29.526%0.25718%0.178SC..THydrogen-bonded Turntrans-73.4-6.3168.7-65.60000113E417 V418 L419 T466E417-C421 PolarHBondContact O-N 2.71Å; E417-C421 PolarHBondContact O-SG 3.39Å; V418-C421 WeakPolarHBondContact O-CB 3.33Å; V418-C421 PolarHBondContact O-N 2.93Å; L419-C421 PolarHBondContact O-N 3.22Å; C421-T466 VanDerWaalsContact O-CG2 3.23Å; C421-T466 WeakPolarHBondContact O-CG2 3.48Å
422C83.6Confident85.3Confident4 Ų430.8 Ų30.83%0.02719%0.186CC..SBendtrans-95.4125.5174.4-66.80000110.5C387 L419 L420 S424 I425 A426C387-C422 HydrophobicContact CB-CB 4.42Å; C387-C422 WeakPolarHBondContact CB-SG 3.49Å; C387-C422 PolarHBondContact SG-SG 3.05Å; L419-C422 WeakPolarHBondContact O-CB 3.3Å; L419-C422 PolarHBondContact O-N 3.42Å; L419-C422 VanDerWaalsContact O-N 3.1Å; L420-C422 PolarHBondContact O-N 3.46Å; C422-S424 VanDerWaalsContact C-N 3.35Å; C422-S424 PolarHBondContact O-N 3.16Å; C422-I425 HydrophobicContact CB-CB 4.25Å; C422-I425 HydrophobicContact CB-CD1 3.85Å; C422-I425 HydrophobicContact CB-CG1 4.08Å; C422-I425 PolarHBondContact O-N 3.39Å; C422-A426 PolarHBondContact O-N 3.08Å
423D83.4Confident84.9Confident73 Ų7333.1 Ų33.139%0.3921%0.206SC..Hα-helixtrans-62.6-39.1-173.4-161.346.8000113.2I425 A426 A427 T466 S467 N470D423-I425 VanDerWaalsContact C-N 3.33Å; D423-I425 PolarHBondContact O-N 3.4Å; D423-A426 PolarHBondContact O-N 3.26Å; D423-A427 WeakPolarHBondContact O-CB 3.21Å; D423-A427 PolarHBondContact O-N 2.85Å; D423-T466 WeakPolarHBondContact OD1-CB 3.36Å; D423-T466 PolarHBondContact OD1-OG1 3.47Å; D423-S467 VanDerWaalsContact OD1-CB 3.22Å; D423-S467 WeakPolarHBondContact OD1-CB 3.21Å; D423-S467 PolarHBondContact OD1-OG 3.37Å; D423-N470 PolarHBondContact OD1-ND2 3.23Å
424S82.2Confident84.6Confident67 Ų6734.5 Ų34.547%0.46921%0.212SC..Hα-helixtrans-61.8-39.6176.755.40000112.8V384 C422 D428V384-S424 WeakPolarHBondContact CG1-OG 3.46Å; C422-S424 VanDerWaalsContact C-N 3.35Å; C422-S424 PolarHBondContact O-N 3.16Å; S424-D428 PolarHBondContact O-N 3.3Å; S424-D428 VanDerWaalsContact O-N 3.09Å
425I84.6Confident84.3Confident5 Ų535.9 Ų35.93%0.02622%0.222CC..Hα-helixtrans-73.2-43.2178.6-62.2174.4000110C387 Y391 L419 C422 D423 A427 D428 V429C387-I425 HydrophobicContact CB-CD1 3.7Å; Y391-I425 HydrophobicContact CD1-CG1 4.36Å; Y391-I425 HydrophobicContact CD1-CG2 4.37Å; Y391-I425 HydrophobicContact CD2-CG2 3.54Å; Y391-I425 HydrophobicContact CE2-CG2 3.71Å; Y391-I425 HydrophobicContact CG-CD1 4.21Å; Y391-I425 HydrophobicContact CG-CG1 4.22Å; Y391-I425 HydrophobicContact CG-CG2 3.89Å; L419-I425 HydrophobicContact CB-CD1 4.45Å; L419-I425 HydrophobicContact CD2-CD1 4.28Å; C422-I425 HydrophobicContact CB-CB 4.25Å; C422-I425 HydrophobicContact CB-CD1 3.85Å; C422-I425 HydrophobicContact CB-CG1 4.08Å; C422-I425 PolarHBondContact O-N 3.39Å; D423-I425 VanDerWaalsContact C-N 3.33Å; D423-I425 PolarHBondContact O-N 3.4Å; I425-A427 VanDerWaalsContact C-N 3.31Å; I425-A427 PolarHBondContact O-N 3.29Å; I425-D428 PolarHBondContact O-N 3.11Å; I425-V429 WeakPolarHBondContact O-CG2 3.28Å; I425-V429 PolarHBondContact O-N 3.46Å
426A84.4Confident83.9Confident0 Ų038.4 Ų38.40%024%0.24CC..Hα-helixtrans-59.2-44.7175.600000111.1C422 D423 D428 V429 F430 I463 N470C422-A426 PolarHBondContact O-N 3.08Å; D423-A426 PolarHBondContact O-N 3.26Å; A426-D428 PolarHBondContact O-N 2.88Å; A426-V429 PolarHBondContact O-N 3.1Å; A426-F430 WeakPolarHBondContact O-CD2 3.38Å; A426-F430 PolarHBondContact O-N 3.23Å; A426-I463 HydrophobicContact CB-CG2 4.4Å; A426-N470 WeakPolarHBondContact CB-ND2 3.32Å
427A83.9Confident83.6Confident49 Ų4939 Ų3941%0.40525%0.246SC..Hα-helixtrans-60.4-41.7175.700000112.4D423 I425 F430 A431D423-A427 WeakPolarHBondContact O-CB 3.21Å; D423-A427 PolarHBondContact O-N 2.85Å; I425-A427 VanDerWaalsContact C-N 3.31Å; I425-A427 PolarHBondContact O-N 3.29Å; A427-F430 PolarHBondContact O-N 3.08Å; A427-A431 WeakPolarHBondContact O-CB 3.48Å; A427-A431 PolarHBondContact O-N 3.14Å
428D83.2Confident83.5Confident64 Ų6435.9 Ų35.934%0.34223%0.231SC..Hα-helixtrans-65.9-40.3176.5-172.944.3000112.5Y391 S424 I425 A426 F430 A431 T432Y391-D428 WeakPolarHBondContact CE1-OD2 3.3Å; Y391-D428 VanDerWaalsContact CZ-OD2 3.26Å; Y391-D428 PolarHBondContact OH-OD2 3.42Å; S424-D428 PolarHBondContact O-N 3.3Å; S424-D428 VanDerWaalsContact O-N 3.09Å; I425-D428 PolarHBondContact O-N 3.11Å; A426-D428 PolarHBondContact O-N 2.88Å; D428-F430 VanDerWaalsContact C-N 3.3Å; D428-F430 PolarHBondContact O-N 3.07Å; D428-A431 PolarHBondContact O-N 3.06Å; D428-A431 VanDerWaalsContact O-N 3.16Å; D428-T432 WeakPolarHBondContact O-CG2 3.12Å; D428-T432 PolarHBondContact O-N 2.7Å; D428-T432 PolarHBondContact O-OG1 2.97Å
429V83.3Confident83.4Confident0 Ų035.1 Ų35.10%023%0.227CC..Hα-helixtrans-61.9-38.2174.91690000111.7Y391 L420 I425 A426 T432 F434Y391-V429 HydrophobicContact CE2-CG2 4.26Å; L420-V429 HydrophobicContact CD2-CB 4.48Å; L420-V429 HydrophobicContact CD2-CG2 4.07Å; I425-V429 WeakPolarHBondContact O-CG2 3.28Å; I425-V429 PolarHBondContact O-N 3.46Å; A426-V429 PolarHBondContact O-N 3.1Å; V429-T432 PolarHBondContact O-OG1 3.35Å; V429-T432 VanDerWaalsContact O-OG1 3.08Å; V429-F434 HydrophobicContact CG1-CD1 3.73Å; V429-F434 HydrophobicContact CG1-CE1 3.84Å; V429-F434 PolarHBondContact O-N 3.48Å
430F82Confident83.2Confident46 Ų4639.1 Ų39.120%0.20225%0.245CC..Hα-helixtrans-72.6-37.1173.2-71.6-63000112.6A426 A427 D428 T432 A433 F434 I463 V473A426-F430 WeakPolarHBondContact O-CD2 3.38Å; A426-F430 PolarHBondContact O-N 3.23Å; A427-F430 PolarHBondContact O-N 3.08Å; D428-F430 VanDerWaalsContact C-N 3.3Å; D428-F430 PolarHBondContact O-N 3.07Å; F430-T432 VanDerWaalsContact C-N 3.35Å; F430-T432 PolarHBondContact O-N 2.81Å; F430-A433 PolarHBondContact O-N 3.08Å; F430-A433 VanDerWaalsContact O-N 3.16Å; F430-F434 AromaticContact CD1-CE1 3.96Å; F430-F434 HydrophobicContact CD1-CE1 3.96Å; F430-F434 HydrophobicContact CD1-CE2 4.42Å; F430-F434 AromaticContact CD1-CZ 3.52Å; F430-F434 HydrophobicContact CD1-CZ 3.52Å; F430-F434 HydrophobicContact CE1-CE1 4.03Å; F430-F434 AromaticContact CE1-CZ 3.57Å; F430-F434 HydrophobicContact CE1-CZ 3.57Å; F430-I463 HydrophobicContact CE2-CG2 3.49Å; F430-I463 VanDerWaalsContact CE2-CG2 3.49Å; F430-I463 HydrophobicContact CZ-CD1 4.34Å; F430-I463 HydrophobicContact CZ-CG2 3.65Å; F430-V473 HydrophobicContact CD1-CG1 3.91Å; F430-V473 HydrophobicContact CE1-CG1 3.37Å; F430-V473 HydrophobicContact CE2-CG1 4.29Å; F430-V473 HydrophobicContact CZ-CB 4.32Å; F430-V473 HydrophobicContact CZ-CG1 3.6Å
431A82.9Confident83.1Confident81 Ų8139.5 Ų39.567%0.66925%0.248SC*.Hα-helixtrans-65-37.1178.300000112.5A427 D428 A433A427-A431 WeakPolarHBondContact O-CB 3.48Å; A427-A431 PolarHBondContact O-N 3.14Å; D428-A431 PolarHBondContact O-N 3.06Å; D428-A431 VanDerWaalsContact O-N 3.16Å; A431-A433 PolarHBondContact O-N 3.28Å
432T80.4Confident83.3Confident40 Ų4037.9 Ų37.925%0.24524%0.236CC..THydrogen-bonded Turntrans-76.41.1175.954.70000113.8D428 V429 F430 F434 N435D428-T432 WeakPolarHBondContact O-CG2 3.12Å; D428-T432 PolarHBondContact O-N 2.7Å; D428-T432 PolarHBondContact O-OG1 2.97Å; V429-T432 PolarHBondContact O-OG1 3.35Å; V429-T432 VanDerWaalsContact O-OG1 3.08Å; F430-T432 VanDerWaalsContact C-N 3.35Å; F430-T432 PolarHBondContact O-N 2.81Å; T432-F434 PolarHBondContact O-N 3.12Å; T432-F434 VanDerWaalsContact O-N 3.14Å; T432-N435 WeakPolarHBondContact O-CB 3.33Å; T432-N435 PolarHBondContact O-N 3.2Å; T432-N435 VanDerWaalsContact O-N 3.15Å; T432-N435 PolarHBondContact O-ND2 3.09Å
433A79.3Confident83.5Confident55 Ų5540.3 Ų40.346%0.45525%0.245SC..THydrogen-bonded Turntrans50.634.1-177.600000113.6F430 A431 N435F430-A433 PolarHBondContact O-N 3.08Å; F430-A433 VanDerWaalsContact O-N 3.16Å; A431-A433 PolarHBondContact O-N 3.28Å; A433-N435 VanDerWaalsContact C-N 3.27Å; A433-N435 PolarHBondContact O-N 3.46Å; A433-N435 PolarHBondContact O-OD1 2.63Å
434F80.4Confident83.5Confident36 Ų3639.1 Ų39.116%0.15824%0.238CC..THydrogen-bonded Turntrans60.926.1-179.6-43.1-74.6000115.6V429 F430 T432 G439 E440 F442 R443V429-F434 HydrophobicContact CG1-CD1 3.73Å; V429-F434 HydrophobicContact CG1-CE1 3.84Å; V429-F434 PolarHBondContact O-N 3.48Å; F430-F434 AromaticContact CD1-CE1 3.96Å; F430-F434 HydrophobicContact CD1-CE1 3.96Å; F430-F434 HydrophobicContact CD1-CE2 4.42Å; F430-F434 AromaticContact CD1-CZ 3.52Å; F430-F434 HydrophobicContact CD1-CZ 3.52Å; F430-F434 HydrophobicContact CE1-CE1 4.03Å; F430-F434 AromaticContact CE1-CZ 3.57Å; F430-F434 HydrophobicContact CE1-CZ 3.57Å; T432-F434 PolarHBondContact O-N 3.12Å; T432-F434 VanDerWaalsContact O-N 3.14Å; F434-G439 WeakPolarHBondContact CB-O 3.31Å; F434-E440 WeakPolarHBondContact O-CA 3.49Å; F434-E440 PolarHBondContact O-N 3.21Å; F434-F442 AromaticContact CD1-CD1 3.63Å; F434-F442 HydrophobicContact CD1-CD1 3.63Å; F434-F442 HydrophobicContact CD1-CE1 4.15Å; F434-F442 AromaticContact CE1-CD1 3.48Å; F434-F442 HydrophobicContact CE1-CD1 3.48Å; F434-F442 VanDerWaalsContact CE1-CD1 3.48Å; F434-F442 AromaticContact CE1-CE1 3.53Å; F434-F442 HydrophobicContact CE1-CE1 3.53Å; F434-F442 HydrophobicContact CZ-CD1 4.39Å; F434-F442 HydrophobicContact CZ-CE1 4.08Å; F434-R443 HydrophobicContact CB-CB 3.9Å; F434-R443 HydrophobicContact CB-CG 4.46Å; F434-R443 HydrophobicContact CG-CB 4.49Å; F434-R443 PolarHBondContact O-NH1 2.68Å
435N81.8Confident83.8Confident111 Ų11136 Ų3659%0.59422%0.216SC*.  trans-95.6-0.5-174.8-66.4-38.2000114.6T432 A433T432-N435 WeakPolarHBondContact O-CB 3.33Å; T432-N435 PolarHBondContact O-N 3.2Å; T432-N435 VanDerWaalsContact O-N 3.15Å; T432-N435 PolarHBondContact O-ND2 3.09Å; A433-N435 VanDerWaalsContact C-N 3.27Å; A433-N435 PolarHBondContact O-N 3.46Å; A433-N435 PolarHBondContact O-OD1 2.63Å
436S81.5Confident84Confident53 Ų5335.8 Ų35.837%0.37122%0.215SC..SBendtrans-148.4152.8-177.258.60000112.3I438 G439 E440S436-I438 PolarHBondContact O-N 2.97Å; S436-G439 WeakPolarHBondContact O-CA 3.5Å; S436-G439 PolarHBondContact O-N 3.5Å; S436-E440 PolarHBondContact O-N 3.32Å
437G82.4Confident84.2Confident14 Ų1438.7 Ų38.714%0.14423%0.227CC..Hα-helixtrans52.9-131.1168.200000114.3N395 L398 G439 E440 L441N395-G437 VanDerWaalsContact OD1-CA 3.29Å; N395-G437 WeakPolarHBondContact OD1-CA 3.48Å; L398-G437 VanDerWaalsContact CD1-C 3.45Å; G437-G439 PolarHBondContact O-N 3.11Å; G437-E440 PolarHBondContact O-N 3.04Å; G437-L441 PolarHBondContact O-N 3.42Å
438I85.7Confident84.3Confident1 Ų136.5 Ų36.51%0.00521%0.208CC..Hα-helixtrans-62.5-25.8177.5-61.4-175.9000111.7Y391 V394 N395 L398 L419 S436 L441 F442Y391-I438 HydrophobicContact CD2-CD1 3.79Å; Y391-I438 HydrophobicContact CD2-CG1 4.42Å; Y391-I438 HydrophobicContact CE2-CB 4.29Å; Y391-I438 HydrophobicContact CE2-CD1 4.26Å; Y391-I438 HydrophobicContact CE2-CG1 4.45Å; V394-I438 HydrophobicContact CB-CD1 4.33Å; V394-I438 HydrophobicContact CG1-CD1 3.85Å; V394-I438 HydrophobicContact CG1-CG1 3.92Å; N395-I438 WeakPolarHBondContact OD1-CG1 3.49Å; N395-I438 PolarHBondContact OD1-N 3.14Å; L398-I438 HydrophobicContact CD1-CG1 4.05Å; L419-I438 HydrophobicContact CD1-CD1 3.49Å; L419-I438 VanDerWaalsContact CD1-CD1 3.49Å; S436-I438 PolarHBondContact O-N 2.97Å; I438-L441 PolarHBondContact O-N 3.2Å; I438-F442 VanDerWaalsContact O-CB 3.27Å; I438-F442 WeakPolarHBondContact O-CB 3.47Å; I438-F442 PolarHBondContact O-N 2.74Å
439G85.2Confident84.5Confident0 Ų033.5 Ų33.50%019%0.192CC..Hα-helixtrans-63.5-42.9175.200000112.7F434 S436 G437 F442 R443F434-G439 WeakPolarHBondContact CB-O 3.31Å; S436-G439 WeakPolarHBondContact O-CA 3.5Å; S436-G439 PolarHBondContact O-N 3.5Å; G437-G439 PolarHBondContact O-N 3.11Å; G439-F442 PolarHBondContact O-N 2.85Å; G439-R443 WeakPolarHBondContact O-CB 3.29Å; G439-R443 PolarHBondContact O-N 3.02Å
440E85.7Confident84.5Confident84 Ų8434.2 Ų34.239%0.39320%0.197SC..Hα-helixtrans-64.8-45173.8169.5156.5-127.200111.3F434 S436 G437 F442 R443 D444F434-E440 WeakPolarHBondContact O-CA 3.49Å; F434-E440 PolarHBondContact O-N 3.21Å; S436-E440 PolarHBondContact O-N 3.32Å; G437-E440 PolarHBondContact O-N 3.04Å; E440-F442 VanDerWaalsContact C-N 3.32Å; E440-F442 PolarHBondContact O-N 2.65Å; E440-R443 PolarHBondContact O-N 3.02Å; E440-R443 IonicContact OE1-CZ 3.04Å; E440-R443 IonicContact OE1-NH2 3.22Å; E440-R443 PolarHBondContact OE1-NH2 2.82Å; E440-D444 WeakPolarHBondContact O-CB 3.22Å; E440-D444 PolarHBondContact O-N 2.96Å
441L85.9Confident84.6Confident9 Ų933.7 Ų33.75%0.04720%0.198CC..Hα-helixtrans-58-43.7174.5-178.772.2000112L403 Y409 L412 L413 S416 G437 I438 T445L403-L441 HydrophobicContact CD2-CD1 4.37Å; Y409-L441 HydrophobicContact CE2-CD1 3.56Å; L412-L441 HydrophobicContact CD1-CD2 4.5Å; L412-L441 HydrophobicContact CD2-CD1 4.08Å; L412-L441 HydrophobicContact CD2-CD2 3.73Å; L412-L441 HydrophobicContact CG-CD2 3.72Å; L413-L441 HydrophobicContact CD2-CD2 4.37Å; L413-L441 HydrophobicContact CD2-CG 4.36Å; S416-L441 WeakPolarHBondContact OG-CD2 3.15Å; G437-L441 PolarHBondContact O-N 3.42Å; I438-L441 PolarHBondContact O-N 3.2Å; L441-T445 WeakPolarHBondContact O-CB 3.47Å; L441-T445 PolarHBondContact O-N 3.29Å; L441-T445 PolarHBondContact O-OG1 3.13Å
442F87.8Confident84.6Confident4 Ų430.9 Ų30.92%0.01817%0.173CC..Hα-helixtrans-61.6-49.5177.5173.4-92.3000110.9L420 F434 I438 G439 E440 D444 T445 V446 L459 L460 I463 L477L420-F442 HydrophobicContact CD1-CD2 3.93Å; F434-F442 AromaticContact CD1-CD1 3.63Å; F434-F442 HydrophobicContact CD1-CD1 3.63Å; F434-F442 HydrophobicContact CD1-CE1 4.15Å; F434-F442 AromaticContact CE1-CD1 3.48Å; F434-F442 HydrophobicContact CE1-CD1 3.48Å; F434-F442 VanDerWaalsContact CE1-CD1 3.48Å; F434-F442 AromaticContact CE1-CE1 3.53Å; F434-F442 HydrophobicContact CE1-CE1 3.53Å; F434-F442 HydrophobicContact CZ-CD1 4.39Å; F434-F442 HydrophobicContact CZ-CE1 4.08Å; I438-F442 VanDerWaalsContact O-CB 3.27Å; I438-F442 WeakPolarHBondContact O-CB 3.47Å; I438-F442 PolarHBondContact O-N 2.74Å; G439-F442 PolarHBondContact O-N 2.85Å; E440-F442 VanDerWaalsContact C-N 3.32Å; E440-F442 PolarHBondContact O-N 2.65Å; F442-D444 PolarHBondContact O-N 3.21Å; F442-T445 PolarHBondContact O-N 3.07Å; F442-V446 HydrophobicContact CD1-CG2 4.22Å; F442-V446 HydrophobicContact CD2-CG2 4.16Å; F442-V446 HydrophobicContact CE1-CG2 3.87Å; F442-V446 HydrophobicContact CE2-CG2 3.78Å; F442-V446 HydrophobicContact CG-CG2 4.36Å; F442-V446 HydrophobicContact CZ-CG2 3.64Å; F442-V446 WeakPolarHBondContact O-CB 3.43Å; F442-V446 VanDerWaalsContact O-CG2 3.29Å; F442-V446 WeakPolarHBondContact O-CG2 3.26Å; F442-V446 PolarHBondContact O-N 3.37Å; F442-L459 HydrophobicContact CD2-CB 3.83Å; F442-L459 HydrophobicContact CD2-CD1 4.05Å; F442-L459 HydrophobicContact CD2-CG 4.48Å; F442-L459 HydrophobicContact CE2-CB 3.78Å; F442-L460 HydrophobicContact CE2-CD2 4.38Å; F442-L460 HydrophobicContact CZ-CD2 3.81Å; F442-I463 HydrophobicContact CD2-CD1 3.9Å; F442-I463 HydrophobicContact CE1-CD1 4.32Å; F442-I463 HydrophobicContact CE2-CD1 3.26Å; F442-I463 HydrophobicContact CE2-CG1 4.43Å; F442-I463 HydrophobicContact CZ-CD1 3.5Å; F442-I463 VanDerWaalsContact CZ-CD1 3.5Å; F442-L477 HydrophobicContact CE1-CD2 4.15Å; F442-L477 HydrophobicContact CZ-CD2 4.32Å
443R87.4Confident84.8Confident55 Ų5529.5 Ų29.521%0.20816%0.164CC..Hα-helixtrans-56.5-51177.3179.8-168.370-158-0.3111.1F434 G439 E440 T445 V446 Y447F434-R443 HydrophobicContact CB-CB 3.9Å; F434-R443 HydrophobicContact CB-CG 4.46Å; F434-R443 HydrophobicContact CG-CB 4.49Å; F434-R443 PolarHBondContact O-NH1 2.68Å; G439-R443 WeakPolarHBondContact O-CB 3.29Å; G439-R443 PolarHBondContact O-N 3.02Å; E440-R443 PolarHBondContact O-N 3.02Å; E440-R443 IonicContact OE1-CZ 3.04Å; E440-R443 IonicContact OE1-NH2 3.22Å; E440-R443 PolarHBondContact OE1-NH2 2.82Å; R443-T445 VanDerWaalsContact C-N 3.3Å; R443-T445 PolarHBondContact O-N 3.25Å; R443-V446 PolarHBondContact O-N 3.33Å; R443-Y447 HydrophobicContact CG-CD2 3.87Å; R443-Y447 HydrophobicContact CG-CE1 4.03Å; R443-Y447 HydrophobicContact CG-CE2 3.34Å; R443-Y447 HydrophobicContact CG-CG 4.44Å; R443-Y447 VanDerWaalsContact CG-CZ 3.41Å; R443-Y447 WeakPolarHBondContact O-CB 3.16Å; R443-Y447 WeakPolarHBondContact O-CD1 3.22Å; R443-Y447 PolarHBondContact O-N 3.38Å
444D84.3Confident85Confident47 Ų4733.3 Ų33.325%0.25117%0.171SC..Hα-helixtrans-62.9-39.6-177.3-68.90.8000110.9E440 F442 Q448E440-D444 WeakPolarHBondContact O-CB 3.22Å; E440-D444 PolarHBondContact O-N 2.96Å; F442-D444 PolarHBondContact O-N 3.21Å; D444-Q448 WeakPolarHBondContact O-CG 3.49Å; D444-Q448 PolarHBondContact O-N 3.12Å
445T87.2Confident85.3Confident2 Ų234.1 Ų34.11%0.01218%0.176CC..Hα-helixtrans-69.6-45.3177.4-50.80000112.2Y409 L413 L441 F442 R443 Y447 Q448 D455 L459Y409-T445 PolarHBondContact OH-OG1 3.29Å; L413-T445 HydrophobicContact CD2-CG2 3.99Å; L441-T445 WeakPolarHBondContact O-CB 3.47Å; L441-T445 PolarHBondContact O-N 3.29Å; L441-T445 PolarHBondContact O-OG1 3.13Å; F442-T445 PolarHBondContact O-N 3.07Å; R443-T445 VanDerWaalsContact C-N 3.3Å; R443-T445 PolarHBondContact O-N 3.25Å; T445-Y447 VanDerWaalsContact C-N 3.28Å; T445-Y447 PolarHBondContact O-N 2.76Å; T445-Q448 WeakPolarHBondContact O-CB 3.42Å; T445-Q448 PolarHBondContact O-N 3.14Å; T445-Q448 VanDerWaalsContact O-N 3.1Å; T445-D455 HydrophobicContact CG2-CB 4.01Å; T445-L459 HydrophobicContact CG2-CD1 3.8Å
446V88.5Confident85.7Confident1 Ų128.9 Ų28.91%0.00615%0.148CC..Hα-helixtrans-64.2-35.5178.3171.80000111.2F442 R443 Q448 F449 P456 L460 L481F442-V446 HydrophobicContact CD1-CG2 4.22Å; F442-V446 HydrophobicContact CD2-CG2 4.16Å; F442-V446 HydrophobicContact CE1-CG2 3.87Å; F442-V446 HydrophobicContact CE2-CG2 3.78Å; F442-V446 HydrophobicContact CG-CG2 4.36Å; F442-V446 HydrophobicContact CZ-CG2 3.64Å; F442-V446 WeakPolarHBondContact O-CB 3.43Å; F442-V446 VanDerWaalsContact O-CG2 3.29Å; F442-V446 WeakPolarHBondContact O-CG2 3.26Å; F442-V446 PolarHBondContact O-N 3.37Å; R443-V446 PolarHBondContact O-N 3.33Å; V446-Q448 PolarHBondContact O-N 3.33Å; V446-F449 VanDerWaalsContact O-CB 3.28Å; V446-F449 WeakPolarHBondContact O-CB 3.43Å; V446-F449 PolarHBondContact O-N 3.02Å; V446-F449 VanDerWaalsContact O-N 3.08Å; V446-P456 HydrophobicContact CG2-CB 4.24Å; V446-L460 HydrophobicContact CG2-CD2 4.47Å; V446-L460 HydrophobicContact CG2-CG 4.38Å; V446-L481 HydrophobicContact CG1-CD2 3.74Å
447Y88.4Confident86.2Confident60 Ų6026.3 Ų26.324%0.23513%0.131CC..Hα-helixtrans-71.3-14.4177-67.80.5000113.1R443 T445 F449 P482 C483 S485R443-Y447 HydrophobicContact CG-CD2 3.87Å; R443-Y447 HydrophobicContact CG-CE1 4.03Å; R443-Y447 HydrophobicContact CG-CE2 3.34Å; R443-Y447 HydrophobicContact CG-CG 4.44Å; R443-Y447 VanDerWaalsContact CG-CZ 3.41Å; R443-Y447 WeakPolarHBondContact O-CB 3.16Å; R443-Y447 WeakPolarHBondContact O-CD1 3.22Å; R443-Y447 PolarHBondContact O-N 3.38Å; T445-Y447 VanDerWaalsContact C-N 3.28Å; T445-Y447 PolarHBondContact O-N 2.76Å; Y447-F449 VanDerWaalsContact C-N 3.28Å; Y447-P482 HydrophobicContact CD1-CG 3.91Å; Y447-P482 HydrophobicContact CE1-CG 3.28Å; Y447-P482 HydrophobicContact CE2-CG 4.23Å; Y447-P482 VanDerWaalsContact CZ-CG 3.46Å; Y447-C483 HydrophobicContact CG-CB 4.29Å; Y447-S485 PolarHBondContact O-OG 3.37Å
448Q87.8Confident86.4Confident3 Ų326.4 Ų26.41%0.01413%0.13CC..THydrogen-bonded Turntrans-79.8-3.4169.4-62.5-59.8-2200113.9D444 T445 V446 C451 C452 S485 C534 F537 S539D444-Q448 WeakPolarHBondContact O-CG 3.49Å; D444-Q448 PolarHBondContact O-N 3.12Å; T445-Q448 WeakPolarHBondContact O-CB 3.42Å; T445-Q448 PolarHBondContact O-N 3.14Å; T445-Q448 VanDerWaalsContact O-N 3.1Å; V446-Q448 PolarHBondContact O-N 3.33Å; Q448-C451 WeakPolarHBondContact O-CA 3.39Å; Q448-C451 VanDerWaalsContact O-CB 3.29Å; Q448-C451 WeakPolarHBondContact O-CB 3.39Å; Q448-C451 PolarHBondContact O-N 3.44Å; Q448-C452 HydrophobicContact CB-CB 4Å; Q448-C452 PolarHBondContact O-N 3.17Å; Q448-S485 WeakPolarHBondContact O-CB 3.44Å; Q448-C534 PolarHBondContact NE2-SG 3.47Å; Q448-C534 VanDerWaalsContact NE2-SG 3.4Å; Q448-F537 HydrophobicContact CG-CD2 3.55Å; Q448-F537 HydrophobicContact CG-CE2 3.55Å; Q448-F537 HydrophobicContact CG-CG 4.06Å; Q448-F537 HydrophobicContact CG-CZ 4.07Å; Q448-F537 VanDerWaalsContact NE2-CD2 3.25Å; Q448-S539 PolarHBondContact OE1-OG 2.75Å
449F87.6Confident86.6Confident1 Ų126.5 Ų26.50%0.00413%0.13CC..THydrogen-bonded Turntrans-69.2134.7171.9-170.6-106.4000109.9V446 Y447 F453 P456 L457 F478 L481 S485 Y546 F551V446-F449 VanDerWaalsContact O-CB 3.28Å; V446-F449 WeakPolarHBondContact O-CB 3.43Å; V446-F449 PolarHBondContact O-N 3.02Å; V446-F449 VanDerWaalsContact O-N 3.08Å; Y447-F449 VanDerWaalsContact C-N 3.28Å; F449-F453 HydrophobicContact CD2-CD2 4.5Å; F449-F453 AromaticContact CE2-CD2 3.74Å; F449-F453 HydrophobicContact CE2-CD2 3.74Å; F449-F453 AromaticContact CE2-CE2 3.65Å; F449-F453 HydrophobicContact CE2-CE2 3.65Å; F449-F453 HydrophobicContact CE2-CG 4.41Å; F449-F453 HydrophobicContact CE2-CZ 4.27Å; F449-F453 HydrophobicContact CZ-CD2 4.44Å; F449-F453 AromaticContact CZ-CE2 3.96Å; F449-F453 HydrophobicContact CZ-CE2 3.96Å; F449-P456 HydrophobicContact CB-CB 4.38Å; F449-P456 HydrophobicContact CB-CG 4.04Å; F449-P456 HydrophobicContact CD2-CG 3.89Å; F449-P456 HydrophobicContact CG-CG 4.41Å; F449-L457 HydrophobicContact CE2-CD1 4.28Å; F449-L457 HydrophobicContact CE2-CD2 4.16Å; F449-L457 HydrophobicContact CE2-CG 4.11Å; F449-F478 AromaticContact CD1-CE2 3.96Å; F449-F478 HydrophobicContact CD1-CE2 3.96Å; F449-F478 HydrophobicContact CD1-CZ 4.23Å; F449-F478 AromaticContact CE1-CE2 3.8Å; F449-F478 HydrophobicContact CE1-CE2 3.8Å; F449-F478 AromaticContact CE1-CZ 3.59Å; F449-F478 HydrophobicContact CE1-CZ 3.59Å; F449-F478 HydrophobicContact CE2-CZ 4.47Å; F449-F478 HydrophobicContact CZ-CE2 4.2Å; F449-F478 AromaticContact CZ-CZ 3.74Å; F449-F478 HydrophobicContact CZ-CZ 3.74Å; F449-L481 HydrophobicContact CD1-CD1 3.72Å; F449-L481 HydrophobicContact CE1-CD1 4.41Å; F449-S485 PolarHBondContact O-N 3.45Å; F449-S485 VanDerWaalsContact O-N 3.11Å; F449-Y546 HydrophobicContact CD1-CE2 4.4Å; F449-Y546 WeakPolarHBondContact CD1-OH 3.46Å; F449-Y546 HydrophobicContact CE1-CE2 4.48Å; F449-Y546 PolarHBondContact O-OH 3.36Å; F449-F551 HydrophobicContact CE1-CD1 4.08Å; F449-F551 HydrophobicContact CE1-CG 4.48Å; F449-F551 AromaticContact CZ-CD1 3.91Å; F449-F551 HydrophobicContact CZ-CD1 3.91Å; F449-F551 HydrophobicContact CZ-CE1 4.5Å
450P83.3Confident86.9Confident16 Ų1626.5 Ų26.510%0.10413%0.13CC..BIsolated β-bridgecis-93.33.44.636.7-39.4000117.1C484 S485 F551P450-C484 VanDerWaalsContact CD-SG 3.54Å; P450-S485 VanDerWaalsContact CD-O 3.23Å; P450-S485 WeakPolarHBondContact CD-O 3.28Å; P450-F551 HydrophobicContact CB-CD1 3.96Å; P450-F551 HydrophobicContact CB-CE1 3.28Å; P450-F551 HydrophobicContact CB-CE2 4.05Å; P450-F551 HydrophobicContact CB-CZ 3.34Å; P450-F551 HydrophobicContact CG-CD2 4.42Å; P450-F551 HydrophobicContact CG-CE1 3.94Å; P450-F551 HydrophobicContact CG-CE2 3.73Å; P450-F551 HydrophobicContact CG-CZ 3.46Å; P450-F551 VanDerWaalsContact CG-CZ 3.46Å
451C82.3Confident87.1Confident34 Ų3422.7 Ų22.723%0.2311%0.113CC..THydrogen-bonded Turntrans-57.1-53.1178.3-1770000112.2Q448 S485Q448-C451 WeakPolarHBondContact O-CA 3.39Å; Q448-C451 VanDerWaalsContact O-CB 3.29Å; Q448-C451 WeakPolarHBondContact O-CB 3.39Å; Q448-C451 PolarHBondContact O-N 3.44Å; C451-S485 PolarHBondContact N-O 3.14Å
452C83.6Confident87.1Confident22 Ų2222.5 Ų22.515%0.14911%0.113CC..SBendtrans-92.6108168.8-62.70000107.7Q448 P456 F537Q448-C452 HydrophobicContact CB-CB 4Å; Q448-C452 PolarHBondContact O-N 3.17Å; C452-P456 WeakPolarHBondContact O-CD 3.36Å; C452-P456 WeakPolarHBondContact O-CG 3.4Å; C452-F537 WeakPolarHBondContact SG-CD1 3.18Å
453F84.3Confident87.2Confident12 Ų1222.3 Ų22.35%0.05311%0.112CC..  trans-89.9-45-170.8-161.2-88.7000113.2F449 L457 F551 E555 R570 I574F449-F453 HydrophobicContact CD2-CD2 4.5Å; F449-F453 AromaticContact CE2-CD2 3.74Å; F449-F453 HydrophobicContact CE2-CD2 3.74Å; F449-F453 AromaticContact CE2-CE2 3.65Å; F449-F453 HydrophobicContact CE2-CE2 3.65Å; F449-F453 HydrophobicContact CE2-CG 4.41Å; F449-F453 HydrophobicContact CE2-CZ 4.27Å; F449-F453 HydrophobicContact CZ-CD2 4.44Å; F449-F453 AromaticContact CZ-CE2 3.96Å; F449-F453 HydrophobicContact CZ-CE2 3.96Å; F453-L457 HydrophobicContact CD1-CD1 3.75Å; F453-L457 HydrophobicContact CE1-CD1 3.31Å; F453-L457 HydrophobicContact CZ-CD1 3.75Å; F453-L457 WeakPolarHBondContact O-CD1 3.33Å; F453-L457 WeakPolarHBondContact O-CG 3.15Å; F453-F551 HydrophobicContact CE2-CE1 4.2Å; F453-E555 HydrophobicContact CE2-CG 3.96Å; F453-E555 HydrophobicContact CZ-CG 4.03Å; F453-R570 HydrophobicContact CB-CG 4.43Å; F453-R570 HydrophobicContact CD1-CB 3.76Å; F453-R570 HydrophobicContact CD1-CG 3.57Å; F453-R570 HydrophobicContact CE1-CB 3.72Å; F453-R570 HydrophobicContact CE1-CG 4.06Å; F453-R570 HydrophobicContact CG-CG 4.06Å; F453-I574 HydrophobicContact CE1-CD1 3.97Å; F453-I574 HydrophobicContact CE1-CG1 3.76Å; F453-I574 HydrophobicContact CZ-CD1 3.63Å; F453-I574 HydrophobicContact CZ-CG1 3.69Å
454K84.8Confident87.1Confident135 Ų13519.7 Ų19.759%0.58710%0.102SC*.Hα-helixtrans-70.8-51.6-171.6-177.5-172.8170.6-1600111.8L457 A458K454-L457 PolarHBondContact O-N 2.92Å; K454-A458 WeakPolarHBondContact O-CB 3.25Å; K454-A458 PolarHBondContact O-N 3.17Å
455D86.6Confident87.1Confident52 Ų5219.4 Ų19.428%0.27810%0.104SC..Hα-helixtrans-66.4-47.8-169.2-48.8-35.6000113.9L413 T445 L457 A458 L459L413-D455 HydrophobicContact CD1-CB 3.88Å; T445-D455 HydrophobicContact CG2-CB 4.01Å; D455-L457 VanDerWaalsContact C-N 3.31Å; D455-L457 PolarHBondContact O-N 2.96Å; D455-A458 WeakPolarHBondContact O-CB 3.43Å; D455-A458 PolarHBondContact O-N 3.19Å; D455-A458 VanDerWaalsContact O-N 3.17Å; D455-L459 WeakPolarHBondContact O-CG 3.27Å; D455-L459 PolarHBondContact O-N 3.22Å
456P89.9Confident86.7Confident1 Ų120.9 Ų20.91%0.00611%0.113CC..Hα-helixtrans-66.9-34.317927.2-35.4000112.3V446 F449 C452 A458 L459 L460V446-P456 HydrophobicContact CG2-CB 4.24Å; F449-P456 HydrophobicContact CB-CB 4.38Å; F449-P456 HydrophobicContact CB-CG 4.04Å; F449-P456 HydrophobicContact CD2-CG 3.89Å; F449-P456 HydrophobicContact CG-CG 4.41Å; C452-P456 WeakPolarHBondContact O-CD 3.36Å; C452-P456 WeakPolarHBondContact O-CG 3.4Å; P456-A458 VanDerWaalsContact C-N 3.35Å; P456-L459 PolarHBondContact O-N 3.22Å; P456-L460 WeakPolarHBondContact O-CB 3.21Å; P456-L460 WeakPolarHBondContact O-CD1 3.33Å; P456-L460 WeakPolarHBondContact O-CG 3.32Å; P456-L460 PolarHBondContact O-N 3.42Å
457L90.7Very high86.5Confident0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-68.7-34.5174.7-67.4-178.7000112F449 F453 K454 D455 S461 F478 A573 I574 L577F449-L457 HydrophobicContact CE2-CD1 4.28Å; F449-L457 HydrophobicContact CE2-CD2 4.16Å; F449-L457 HydrophobicContact CE2-CG 4.11Å; F453-L457 HydrophobicContact CD1-CD1 3.75Å; F453-L457 HydrophobicContact CE1-CD1 3.31Å; F453-L457 HydrophobicContact CZ-CD1 3.75Å; F453-L457 WeakPolarHBondContact O-CD1 3.33Å; F453-L457 WeakPolarHBondContact O-CG 3.15Å; K454-L457 PolarHBondContact O-N 2.92Å; D455-L457 VanDerWaalsContact C-N 3.31Å; D455-L457 PolarHBondContact O-N 2.96Å; L457-S461 VanDerWaalsContact O-CB 3.24Å; L457-S461 WeakPolarHBondContact O-CB 3.4Å; L457-S461 PolarHBondContact O-N 3.16Å; L457-S461 PolarHBondContact O-OG 3.4Å; L457-F478 HydrophobicContact CD2-CE2 4Å; L457-F478 HydrophobicContact CD2-CZ 3.76Å; L457-A573 HydrophobicContact CB-CB 4.12Å; L457-A573 HydrophobicContact CD1-CB 3.86Å; L457-I574 HydrophobicContact CD1-CG1 4.03Å; L457-L577 HydrophobicContact CD2-CD2 3.76Å
458A87.9Confident86.2Confident15 Ų1521 Ų2112%0.12413%0.125CC..Hα-helixtrans-64.8-47.8174.300000111.1K454 D455 P456 L460 S461 A462K454-A458 WeakPolarHBondContact O-CB 3.25Å; K454-A458 PolarHBondContact O-N 3.17Å; D455-A458 WeakPolarHBondContact O-CB 3.43Å; D455-A458 PolarHBondContact O-N 3.19Å; D455-A458 VanDerWaalsContact O-N 3.17Å; P456-A458 VanDerWaalsContact C-N 3.35Å; A458-L460 PolarHBondContact O-N 3.42Å; A458-S461 WeakPolarHBondContact O-CB 2.97Å; A458-S461 PolarHBondContact O-N 3.19Å; A458-A462 PolarHBondContact O-N 3.04Å
459L89.7Confident86Confident3 Ų328.3 Ų28.32%0.01616%0.159CC..Hα-helixtrans-62.3-44.2176.6-62.8175000112.2L413 E417 L420 F442 T445 D455 P456 S461 A462 I463L413-L459 HydrophobicContact CD2-CD1 4.17Å; E417-L459 HydrophobicContact CB-CD2 4.31Å; L420-L459 HydrophobicContact CD1-CB 4.37Å; L420-L459 HydrophobicContact CD1-CD2 3.79Å; F442-L459 HydrophobicContact CD2-CB 3.83Å; F442-L459 HydrophobicContact CD2-CD1 4.05Å; F442-L459 HydrophobicContact CD2-CG 4.48Å; F442-L459 HydrophobicContact CE2-CB 3.78Å; T445-L459 HydrophobicContact CG2-CD1 3.8Å; D455-L459 WeakPolarHBondContact O-CG 3.27Å; D455-L459 PolarHBondContact O-N 3.22Å; P456-L459 PolarHBondContact O-N 3.22Å; L459-S461 VanDerWaalsContact C-N 3.31Å; L459-S461 PolarHBondContact O-N 3.06Å; L459-A462 PolarHBondContact O-N 2.87Å; L459-I463 WeakPolarHBondContact O-CG1 3.4Å; L459-I463 PolarHBondContact O-N 3.11Å; L459-I463 VanDerWaalsContact O-N 3.15Å
460L90.2Very high85.9Confident0 Ų028.9 Ų28.90%016%0.162CC..Hα-helixtrans-64-36.4175.5-70.3166.9000111.9F442 V446 P456 A458 A464 V474 L477 F478 L577F442-L460 HydrophobicContact CE2-CD2 4.38Å; F442-L460 HydrophobicContact CZ-CD2 3.81Å; V446-L460 HydrophobicContact CG2-CD2 4.47Å; V446-L460 HydrophobicContact CG2-CG 4.38Å; P456-L460 WeakPolarHBondContact O-CB 3.21Å; P456-L460 WeakPolarHBondContact O-CD1 3.33Å; P456-L460 WeakPolarHBondContact O-CG 3.32Å; P456-L460 PolarHBondContact O-N 3.42Å; A458-L460 PolarHBondContact O-N 3.42Å; L460-A464 WeakPolarHBondContact O-CB 3.45Å; L460-A464 PolarHBondContact O-N 3.11Å; L460-V474 HydrophobicContact CB-CG1 4.11Å; L460-V474 HydrophobicContact CD2-CG1 4.01Å; L460-L477 HydrophobicContact CD2-CD2 4.05Å; L460-F478 HydrophobicContact CD1-CD2 3.5Å; L460-F478 HydrophobicContact CD1-CE2 3.79Å; L460-F478 HydrophobicContact CD1-CG 4.44Å; L460-L577 HydrophobicContact CB-CD1 3.86Å; L460-L577 HydrophobicContact CB-CD2 4.5Å
461S90.1Very high86Confident5 Ų528.1 Ų28.14%0.03516%0.157CC..Hα-helixtrans-68-38176.7-61.40000112L457 A458 L459 S465 L577L457-S461 VanDerWaalsContact O-CB 3.24Å; L457-S461 WeakPolarHBondContact O-CB 3.4Å; L457-S461 PolarHBondContact O-N 3.16Å; L457-S461 PolarHBondContact O-OG 3.4Å; A458-S461 WeakPolarHBondContact O-CB 2.97Å; A458-S461 PolarHBondContact O-N 3.19Å; L459-S461 VanDerWaalsContact C-N 3.31Å; L459-S461 PolarHBondContact O-N 3.06Å; S461-S465 PolarHBondContact O-N 3.42Å; S461-L577 WeakPolarHBondContact OG-CA 3.47Å; S461-L577 WeakPolarHBondContact OG-CB 3.45Å; S461-L577 PolarHBondContact OG-N 3.33Å
462A86.8Confident86.3Confident4 Ų428.9 Ų28.93%0.03316%0.161CC..Hα-helixtrans-61.5-50.1176.200000110.8E417 L420 A458 L459 A464 S465E417-A462 HydrophobicContact CG-CB 4.07Å; E417-A462 WeakPolarHBondContact O-CB 3.42Å; L420-A462 HydrophobicContact CB-CB 4.14Å; A458-A462 PolarHBondContact O-N 3.04Å; L459-A462 PolarHBondContact O-N 2.87Å; A462-A464 PolarHBondContact O-N 3.03Å; A462-S465 PolarHBondContact O-N 2.82Å; A462-S465 PolarHBondContact O-OG 2.87Å
463I88.8Confident86.4Confident0 Ų030.7 Ų30.70%017%0.171CC..Hα-helixtrans-64.1-42.1178.6-63.4176000111.8L420 A426 F430 F442 L459 S465 T466 N470 V474L420-I463 HydrophobicContact CB-CG1 3.9Å; L420-I463 HydrophobicContact CD1-CD1 4.25Å; L420-I463 HydrophobicContact CD1-CG1 4.26Å; L420-I463 HydrophobicContact CD2-CD1 4.08Å; L420-I463 HydrophobicContact CD2-CG1 4.05Å; L420-I463 HydrophobicContact CG-CG1 4.29Å; A426-I463 HydrophobicContact CB-CG2 4.4Å; F430-I463 HydrophobicContact CE2-CG2 3.49Å; F430-I463 VanDerWaalsContact CE2-CG2 3.49Å; F430-I463 HydrophobicContact CZ-CD1 4.34Å; F430-I463 HydrophobicContact CZ-CG2 3.65Å; F442-I463 HydrophobicContact CD2-CD1 3.9Å; F442-I463 HydrophobicContact CE1-CD1 4.32Å; F442-I463 HydrophobicContact CE2-CD1 3.26Å; F442-I463 HydrophobicContact CE2-CG1 4.43Å; F442-I463 HydrophobicContact CZ-CD1 3.5Å; F442-I463 VanDerWaalsContact CZ-CD1 3.5Å; L459-I463 WeakPolarHBondContact O-CG1 3.4Å; L459-I463 PolarHBondContact O-N 3.11Å; L459-I463 VanDerWaalsContact O-N 3.15Å; I463-S465 PolarHBondContact O-N 3.44Å; I463-T466 PolarHBondContact O-N 3.36Å; I463-T466 PolarHBondContact O-OG1 3.48Å; I463-N470 HydrophobicContact CG2-CB 4.02Å; I463-N470 WeakPolarHBondContact O-CB 3.3Å; I463-V474 HydrophobicContact CB-CG2 3.9Å; I463-V474 HydrophobicContact CG2-CG2 3.52Å
464A86.6Confident86.5Confident0 Ų030.1 Ų30.10%017%0.168CC..Hα-helixtrans-64.6-21179.600000113.4L460 A462 V474 L577 Q580 V581 S584L460-A464 WeakPolarHBondContact O-CB 3.45Å; L460-A464 PolarHBondContact O-N 3.11Å; A462-A464 PolarHBondContact O-N 3.03Å; A464-V474 HydrophobicContact CB-CB 4.32Å; A464-V474 HydrophobicContact CB-CG1 4.18Å; A464-V474 HydrophobicContact CB-CG2 4.34Å; A464-L577 HydrophobicContact CB-CD1 4.49Å; A464-Q580 HydrophobicContact CB-CB 4.15Å; A464-V581 HydrophobicContact CB-CG2 3.85Å; A464-S584 WeakPolarHBondContact O-CB 3.32Å; A464-S584 PolarHBondContact O-OG 2.96Å
465S83.7Confident86.7Confident42 Ų4224.5 Ų24.529%0.29414%0.144SC..THydrogen-bonded Turntrans-81.6-13.7-177.673.30000114.6S461 A462 I463S461-S465 PolarHBondContact O-N 3.42Å; A462-S465 PolarHBondContact O-N 2.82Å; A462-S465 PolarHBondContact O-OG 2.87Å; I463-S465 PolarHBondContact O-N 3.44Å
466T80Confident86.8Confident33 Ų3326 Ų2620%0.20215%0.152CC..THydrogen-bonded Turntrans-82.9-44.8-170.473.20000112.9L420 C421 D423 I463 N470L420-T466 WeakPolarHBondContact O-CG2 3.21Å; C421-T466 VanDerWaalsContact O-CG2 3.23Å; C421-T466 WeakPolarHBondContact O-CG2 3.48Å; D423-T466 WeakPolarHBondContact OD1-CB 3.36Å; D423-T466 PolarHBondContact OD1-OG1 3.47Å; I463-T466 PolarHBondContact O-N 3.36Å; I463-T466 PolarHBondContact O-OG1 3.48Å; T466-N470 PolarHBondContact OG1-ND2 2.88Å
467S83Confident86.7Confident25 Ų2527.9 Ų27.918%0.17516%0.162CC..  trans-153158.4-175.761.80000112D423 E469 N470 A471D423-S467 VanDerWaalsContact OD1-CB 3.22Å; D423-S467 WeakPolarHBondContact OD1-CB 3.21Å; D423-S467 PolarHBondContact OD1-OG 3.37Å; S467-E469 VanDerWaalsContact C-N 3.33Å; S467-E469 PolarHBondContact O-N 3.02Å; S467-N470 PolarHBondContact O-N 3.35Å; S467-N470 WeakPolarHBondContact OG-CB 3.29Å; S467-N470 VanDerWaalsContact OG-CG 3.26Å; S467-N470 PolarHBondContact OG-N 3.05Å; S467-N470 PolarHBondContact OG-ND2 3.05Å; S467-A471 PolarHBondContact O-N 3.32Å
468A82.8Confident86.7Confident39 Ų3927.9 Ų27.932%0.32216%0.162SC..Hα-helixtrans-57.6-45174.600000112N470 A471 V472 E585A468-N470 PolarHBondContact O-N 3.16Å; A468-A471 WeakPolarHBondContact O-CB 3.35Å; A468-A471 PolarHBondContact O-N 3.32Å; A468-V472 PolarHBondContact O-N 2.87Å; A468-V472 VanDerWaalsContact O-N 3.13Å; A468-E585 HydrophobicContact CB-CG 3.92Å; A468-E585 WeakPolarHBondContact CB-OE1 3.49Å; A468-E585 VanDerWaalsContact O-CG 3.29Å; A468-E585 WeakPolarHBondContact O-CG 3.31Å
469E84.2Confident86.9Confident155 Ų15530.4 Ų30.472%0.72417%0.173SC*.Hα-helixtrans-61.5-46.7178.3-61.2-172.917800111.8S467 A471 V472 V473S467-E469 VanDerWaalsContact C-N 3.33Å; S467-E469 PolarHBondContact O-N 3.02Å; E469-A471 VanDerWaalsContact C-N 3.31Å; E469-A471 PolarHBondContact O-N 2.86Å; E469-V472 PolarHBondContact O-N 3.45Å; E469-V472 VanDerWaalsContact O-N 3.16Å; E469-V473 WeakPolarHBondContact O-CG2 3.48Å; E469-V473 PolarHBondContact O-N 3.04Å
470N84.9Confident86.9Confident13 Ų1336.3 Ų36.37%0.0720%0.198CC..Hα-helixtrans-64.1-35.5177.4-74.2-15.7000112.2D423 A426 I463 T466 S467 A468 V472 V473 V474D423-N470 PolarHBondContact OD1-ND2 3.23Å; A426-N470 WeakPolarHBondContact CB-ND2 3.32Å; I463-N470 HydrophobicContact CG2-CB 4.02Å; I463-N470 WeakPolarHBondContact O-CB 3.3Å; T466-N470 PolarHBondContact OG1-ND2 2.88Å; S467-N470 PolarHBondContact O-N 3.35Å; S467-N470 WeakPolarHBondContact OG-CB 3.29Å; S467-N470 VanDerWaalsContact OG-CG 3.26Å; S467-N470 PolarHBondContact OG-N 3.05Å; S467-N470 PolarHBondContact OG-ND2 3.05Å; A468-N470 PolarHBondContact O-N 3.16Å; N470-V472 VanDerWaalsContact C-N 3.34Å; N470-V472 PolarHBondContact O-N 3.03Å; N470-V473 PolarHBondContact O-N 3.49Å; N470-V474 WeakPolarHBondContact O-CB 3.34Å; N470-V474 VanDerWaalsContact O-CG2 3.25Å; N470-V474 WeakPolarHBondContact O-CG2 3.44Å; N470-V474 PolarHBondContact O-N 3.44Å
471A85.9Confident86.8Confident0 Ų036.3 Ų36.30%020%0.198CC..Hα-helixtrans-62.4-39.817400000112.3S467 A468 E469 F475 E585S467-A471 PolarHBondContact O-N 3.32Å; A468-A471 WeakPolarHBondContact O-CB 3.35Å; A468-A471 PolarHBondContact O-N 3.32Å; E469-A471 VanDerWaalsContact C-N 3.31Å; E469-A471 PolarHBondContact O-N 2.86Å; A471-F475 VanDerWaalsContact O-CB 3.27Å; A471-F475 WeakPolarHBondContact O-CB 3.35Å; A471-F475 PolarHBondContact O-N 2.7Å; A471-E585 HydrophobicContact CB-CB 4.45Å; A471-E585 HydrophobicContact CB-CG 4.26Å
472V87.2Confident86.6Confident51 Ų5137.6 Ų37.631%0.30921%0.207SC..Hα-helixtrans-65.5-42.5173.7178.40000111.1A468 E469 N470 F475 N476 E585A468-V472 PolarHBondContact O-N 2.87Å; A468-V472 VanDerWaalsContact O-N 3.13Å; E469-V472 PolarHBondContact O-N 3.45Å; E469-V472 VanDerWaalsContact O-N 3.16Å; N470-V472 VanDerWaalsContact C-N 3.34Å; N470-V472 PolarHBondContact O-N 3.03Å; V472-F475 PolarHBondContact O-N 3.39Å; V472-N476 WeakPolarHBondContact CG1-ND2 3.43Å; V472-N476 WeakPolarHBondContact O-CB 3.41Å; V472-N476 VanDerWaalsContact O-CG 3.3Å; V472-N476 PolarHBondContact O-N 3.32Å; V472-N476 PolarHBondContact O-ND2 3.44Å; V472-N476 VanDerWaalsContact O-ND2 3.09Å; V472-E585 HydrophobicContact CG2-CG 3.83Å
473V85.8Confident86.6Confident59 Ų5938.1 Ų38.136%0.35821%0.21SC..Hα-helixtrans-62.9-46.5177.4175.80000110.8F430 E469 N470 F475 N476 L477F430-V473 HydrophobicContact CD1-CG1 3.91Å; F430-V473 HydrophobicContact CE1-CG1 3.37Å; F430-V473 HydrophobicContact CE2-CG1 4.29Å; F430-V473 HydrophobicContact CZ-CB 4.32Å; F430-V473 HydrophobicContact CZ-CG1 3.6Å; E469-V473 WeakPolarHBondContact O-CG2 3.48Å; E469-V473 PolarHBondContact O-N 3.04Å; N470-V473 PolarHBondContact O-N 3.49Å; V473-F475 PolarHBondContact O-N 2.89Å; V473-N476 PolarHBondContact O-N 3.05Å; V473-L477 WeakPolarHBondContact O-CB 3.4Å; V473-L477 PolarHBondContact O-N 3.11Å
474V87.2Confident86.5Confident0 Ų038.2 Ų38.20%021%0.21CC..Hα-helixtrans-61.1-44.4175.9169.10000111L460 I463 A464 N470 N476 L477 F478 L577L460-V474 HydrophobicContact CB-CG1 4.11Å; L460-V474 HydrophobicContact CD2-CG1 4.01Å; I463-V474 HydrophobicContact CB-CG2 3.9Å; I463-V474 HydrophobicContact CG2-CG2 3.52Å; A464-V474 HydrophobicContact CB-CB 4.32Å; A464-V474 HydrophobicContact CB-CG1 4.18Å; A464-V474 HydrophobicContact CB-CG2 4.34Å; N470-V474 WeakPolarHBondContact O-CB 3.34Å; N470-V474 VanDerWaalsContact O-CG2 3.25Å; N470-V474 WeakPolarHBondContact O-CG2 3.44Å; N470-V474 PolarHBondContact O-N 3.44Å; V474-N476 VanDerWaalsContact C-N 3.33Å; V474-N476 PolarHBondContact O-N 3.23Å; V474-L477 PolarHBondContact O-N 2.94Å; V474-F478 WeakPolarHBondContact O-CB 3.41Å; V474-F478 PolarHBondContact O-N 3.15Å; V474-L577 HydrophobicContact CG1-CD1 4.18Å
475F88.8Confident86.5Confident18 Ų1838.2 Ų38.28%0.07921%0.211CC..Hα-helixtrans-57.2-46.7176.6176.8-99.6000111.8A471 V472 V473 L479 W549 L588 W591 M592A471-F475 VanDerWaalsContact O-CB 3.27Å; A471-F475 WeakPolarHBondContact O-CB 3.35Å; A471-F475 PolarHBondContact O-N 2.7Å; V472-F475 PolarHBondContact O-N 3.39Å; V473-F475 PolarHBondContact O-N 2.89Å; F475-L479 WeakPolarHBondContact O-CB 3.34Å; F475-L479 PolarHBondContact O-N 3.27Å; F475-W549 AromaticContact CD2-CE2 3.73Å; F475-W549 AromaticContact CD2-CZ2 3.73Å; F475-W549 HydrophobicContact CD2-CZ2 3.73Å; F475-W549 AromaticContact CD2-NE1 3.55Å; F475-W549 HydrophobicContact CE2-CZ2 4.45Å; F475-W549 AromaticContact CE2-NE1 3.76Å; F475-W549 PolarHBondContact O-NE1 2.87Å; F475-L588 HydrophobicContact CB-CD1 4.07Å; F475-L588 HydrophobicContact CD1-CD1 4.36Å; F475-L588 HydrophobicContact CD1-CD2 4.19Å; F475-L588 HydrophobicContact CD2-CD1 4.25Å; F475-L588 HydrophobicContact CE1-CD2 4.14Å; F475-L588 HydrophobicContact CG-CD1 3.96Å; F475-L588 HydrophobicContact CZ-CD2 4.43Å; F475-W591 HydrophobicContact CE2-CB 4.37Å; F475-W591 HydrophobicContact CZ-CB 4.15Å; F475-W591 HydrophobicContact CZ-CD2 4.44Å; F475-W591 HydrophobicContact CZ-CG 4.2Å; F475-M592 HydrophobicContact CD2-CE 3.31Å; F475-M592 HydrophobicContact CE2-CE 3.36Å
476N89.6Confident86.5Confident84 Ų8436.7 Ų36.745%0.44920%0.199SC..Hα-helixtrans-70.4-39.2179.6-72.3-36.1000112.9V472 V473 V474 L479 K480V472-N476 WeakPolarHBondContact CG1-ND2 3.43Å; V472-N476 WeakPolarHBondContact O-CB 3.41Å; V472-N476 VanDerWaalsContact O-CG 3.3Å; V472-N476 PolarHBondContact O-N 3.32Å; V472-N476 PolarHBondContact O-ND2 3.44Å; V472-N476 VanDerWaalsContact O-ND2 3.09Å; V473-N476 PolarHBondContact O-N 3.05Å; V474-N476 VanDerWaalsContact C-N 3.33Å; V474-N476 PolarHBondContact O-N 3.23Å; N476-L479 WeakPolarHBondContact O-CB 3.38Å; N476-L479 PolarHBondContact O-N 3.16Å; N476-K480 PolarHBondContact O-N 2.88Å
477L87.2Confident86.7Confident39 Ų3937.1 Ų37.120%0.20420%0.202CC..Hα-helixtrans-61.1-45.9175.2-179.367.1000110.6F442 L460 V473 V474 L479 K480 L481F442-L477 HydrophobicContact CE1-CD2 4.15Å; F442-L477 HydrophobicContact CZ-CD2 4.32Å; L460-L477 HydrophobicContact CD2-CD2 4.05Å; V473-L477 WeakPolarHBondContact O-CB 3.4Å; V473-L477 PolarHBondContact O-N 3.11Å; V474-L477 PolarHBondContact O-N 2.94Å; L477-L479 VanDerWaalsContact C-N 3.32Å; L477-L479 PolarHBondContact O-N 3.31Å; L477-K480 CarbonylContact O-C 3.4Å; L477-K480 PolarHBondContact O-N 3.45Å; L477-L481 PolarHBondContact O-N 3.37Å
478F90.8Very high86.5Confident1 Ų138.7 Ų38.70%0.00421%0.208CC..Hα-helixtrans-74.3-23.7-179.4-156.1-111.9000113F449 L457 L460 V474 K480 L481 G548 W549 L577F449-F478 AromaticContact CD1-CE2 3.96Å; F449-F478 HydrophobicContact CD1-CE2 3.96Å; F449-F478 HydrophobicContact CD1-CZ 4.23Å; F449-F478 AromaticContact CE1-CE2 3.8Å; F449-F478 HydrophobicContact CE1-CE2 3.8Å; F449-F478 AromaticContact CE1-CZ 3.59Å; F449-F478 HydrophobicContact CE1-CZ 3.59Å; F449-F478 HydrophobicContact CE2-CZ 4.47Å; F449-F478 HydrophobicContact CZ-CE2 4.2Å; F449-F478 AromaticContact CZ-CZ 3.74Å; F449-F478 HydrophobicContact CZ-CZ 3.74Å; L457-F478 HydrophobicContact CD2-CE2 4Å; L457-F478 HydrophobicContact CD2-CZ 3.76Å; L460-F478 HydrophobicContact CD1-CD2 3.5Å; L460-F478 HydrophobicContact CD1-CE2 3.79Å; L460-F478 HydrophobicContact CD1-CG 4.44Å; V474-F478 WeakPolarHBondContact O-CB 3.41Å; V474-F478 PolarHBondContact O-N 3.15Å; F478-K480 VanDerWaalsContact C-N 3.25Å; F478-K480 PolarHBondContact O-N 3.41Å; F478-L481 HydrophobicContact CD2-CD1 3.83Å; F478-L481 HydrophobicContact CD2-CD2 4.42Å; F478-L481 HydrophobicContact CD2-CG 4.32Å; F478-L481 HydrophobicContact CE2-CD1 3.88Å; F478-G548 VanDerWaalsContact CE1-O 3.3Å; F478-G548 WeakPolarHBondContact CE1-O 3.39Å; F478-G548 WeakPolarHBondContact O-CA 3.36Å; F478-G548 PolarHBondContact O-N 3.47Å; F478-W549 HydrophobicContact CB-CZ2 4.3Å; F478-W549 AromaticContact CD1-CD1 3.9Å; F478-W549 AromaticContact CD1-CD2 3.51Å; F478-W549 HydrophobicContact CD1-CD2 3.51Å; F478-W549 AromaticContact CD1-CE2 3.57Å; F478-W549 AromaticContact CD1-CE3 3.92Å; F478-W549 HydrophobicContact CD1-CE3 3.92Å; F478-W549 AromaticContact CD1-CG 3.75Å; F478-W549 HydrophobicContact CD1-CG 3.75Å; F478-W549 HydrophobicContact CD1-CH2 4.46Å; F478-W549 HydrophobicContact CD1-CZ2 4.06Å; F478-W549 HydrophobicContact CD1-CZ3 4.39Å; F478-W549 AromaticContact CD1-NE1 3.8Å; F478-W549 HydrophobicContact CE1-CD2 4.06Å; F478-W549 HydrophobicContact CE1-CE3 4.09Å; F478-W549 HydrophobicContact CE1-CG 4.33Å; F478-L577 HydrophobicContact CE1-CD2 4.45Å
479L91.3Very high86.2Confident67 Ų6741.3 Ų41.335%0.35123%0.23SC..Hα-helixtrans-64.9-29.4171.2-169.871.5000112.3F475 N476 L477 N547F475-L479 WeakPolarHBondContact O-CB 3.34Å; F475-L479 PolarHBondContact O-N 3.27Å; N476-L479 WeakPolarHBondContact O-CB 3.38Å; N476-L479 PolarHBondContact O-N 3.16Å; L477-L479 VanDerWaalsContact C-N 3.32Å; L477-L479 PolarHBondContact O-N 3.31Å; L479-N547 WeakPolarHBondContact CD1-ND2 3.4Å; L479-N547 WeakPolarHBondContact O-CA 3.48Å
480K89.8Confident85.8Confident127 Ų12738.8 Ų38.855%0.55222%0.221SC*.THydrogen-bonded Turntrans-141.874.1-177.1-168.1-180176.5-175.10111.7N476 L477 F478 F545N476-K480 PolarHBondContact O-N 2.88Å; L477-K480 CarbonylContact O-C 3.4Å; L477-K480 PolarHBondContact O-N 3.45Å; F478-K480 VanDerWaalsContact C-N 3.25Å; F478-K480 PolarHBondContact O-N 3.41Å; K480-F545 HydrophobicContact CD-CD1 4.14Å; K480-F545 HydrophobicContact CG-CB 4.13Å; K480-F545 HydrophobicContact CG-CD1 3.58Å; K480-F545 HydrophobicContact CG-CE1 4.3Å; K480-F545 HydrophobicContact CG-CG 4.08Å
481L88.7Confident85.3Confident1 Ų138.8 Ų38.81%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-74.9136.3174.5-71.6173.2000110.8V446 F449 L477 F478 F545 Y546V446-L481 HydrophobicContact CG1-CD2 3.74Å; F449-L481 HydrophobicContact CD1-CD1 3.72Å; F449-L481 HydrophobicContact CE1-CD1 4.41Å; L477-L481 PolarHBondContact O-N 3.37Å; F478-L481 HydrophobicContact CD2-CD1 3.83Å; F478-L481 HydrophobicContact CD2-CD2 4.42Å; F478-L481 HydrophobicContact CD2-CG 4.32Å; F478-L481 HydrophobicContact CE2-CD1 3.88Å; L481-F545 VanDerWaalsContact O-CA 3.24Å; L481-F545 WeakPolarHBondContact O-CA 3.39Å; L481-Y546 HydrophobicContact CB-CD1 4.05Å; L481-Y546 HydrophobicContact CB-CE1 3.58Å; L481-Y546 HydrophobicContact CD1-CE1 4.17Å; L481-Y546 HydrophobicContact CD1-CE2 4.34Å; L481-Y546 PolarHBondContact N-O 3.4Å; L481-Y546 PolarHBondContact O-N 3.47Å; L481-Y546 VanDerWaalsContact O-N 3.11Å
482P86.4Confident84.6Confident32 Ų3244.6 Ų44.621%0.20825%0.252CS..EExtended strand (participates in β ladder)trans-81.1-22.5-17330.7-35.2000115.1Y447 M544 F545Y447-P482 HydrophobicContact CD1-CG 3.91Å; Y447-P482 HydrophobicContact CE1-CG 3.28Å; Y447-P482 HydrophobicContact CE2-CG 4.23Å; Y447-P482 VanDerWaalsContact CZ-CG 3.46Å; P482-M544 CarbonylContact C-O 3.6Å; P482-M544 CarbonylContact O-C 3.51Å; P482-M544 VanDerWaalsContact O-C 3.28Å; P482-M544 PolarHBondContact O-N 2.7Å; P482-M544 VanDerWaalsContact O-N 3.12Å; P482-F545 HydrophobicContact CB-CD1 4.25Å; P482-F545 HydrophobicContact CB-CE1 3.81Å
483C86.4Confident83.8Confident15 Ų1547.6 Ų47.610%0.10127%0.271CS..EExtended strand (participates in β ladder)trans-136.1133.3-174.5-63.60000110.1Y447 W542 Y546Y447-C483 HydrophobicContact CG-CB 4.29Å; C483-W542 CarbonylContact C-O 3.18Å; C483-W542 VanDerWaalsContact CA-O 3.27Å; C483-W542 WeakPolarHBondContact CA-O 3.49Å; C483-Y546 VanDerWaalsContact O-CE1 3.29Å; C483-Y546 WeakPolarHBondContact O-CE1 3.29Å
484C86.1Confident82.9Confident1 Ų149.1 Ų49.11%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-112.2119.8176-167.20000109.7P450 F516 W542 M544 Y546P450-C484 VanDerWaalsContact CD-SG 3.54Å; C484-F516 WeakPolarHBondContact SG-CZ 3.4Å; C484-W542 PolarHBondContact N-O 2.98Å; C484-W542 WeakPolarHBondContact O-CA 3.48Å; C484-W542 VanDerWaalsContact O-CB 3.28Å; C484-W542 WeakPolarHBondContact O-CB 3.18Å; C484-W542 PolarHBondContact O-N 2.96Å; C484-M544 HydrophobicContact CB-CG 4.23Å; C484-Y546 HydrophobicContact CB-CD1 3.72Å; C484-Y546 HydrophobicContact CB-CE1 3.47Å; C484-Y546 VanDerWaalsContact CB-CE1 3.47Å; C484-Y546 HydrophobicContact CB-CG 4.41Å
485S86.8Confident82.2Confident1 Ų150.7 Ų50.71%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-104.6141.3-174-64.20000113.9Y447 Q448 F449 P450 C451 I540 Q541Y447-S485 PolarHBondContact O-OG 3.37Å; Q448-S485 WeakPolarHBondContact O-CB 3.44Å; F449-S485 PolarHBondContact O-N 3.45Å; F449-S485 VanDerWaalsContact O-N 3.11Å; P450-S485 VanDerWaalsContact CD-O 3.23Å; P450-S485 WeakPolarHBondContact CD-O 3.28Å; C451-S485 PolarHBondContact N-O 3.14Å; S485-I540 CarbonylContact C-O 3.5Å; S485-I540 VanDerWaalsContact CA-O 3.26Å; S485-I540 WeakPolarHBondContact CA-O 3.21Å; S485-Q541 WeakPolarHBondContact OG-CG 3.33Å
486E83.6Confident81.5Confident9 Ų951.4 Ų51.44%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-134.5142.7179.1-172178.6-173.300110.8L488 N490 I491 H514 F516 S539 I540E486-L488 PolarHBondContact O-N 2.88Å; E486-N490 HydrophobicContact CG-CB 4.03Å; E486-N490 WeakPolarHBondContact OE1-CB 3.37Å; E486-I491 HydrophobicContact CB-CD1 4.34Å; E486-I491 HydrophobicContact CG-CD1 4.39Å; E486-I491 HydrophobicContact CG-CG1 4.46Å; E486-H514 VanDerWaalsContact CD-NE2 3.28Å; E486-H514 IonicContact OE1-CD2 2.89Å; E486-H514 IonicContact OE1-CE1 3.96Å; E486-H514 IonicContact OE1-NE2 2.85Å; E486-H514 PolarHBondContact OE1-NE2 3.11Å; E486-H514 IonicContact OE2-CD2 3.65Å; E486-H514 PolarHBondContact OE2-CD2 3.1Å; E486-H514 IonicContact OE2-NE2 2.96Å; E486-H514 PolarHBondContact OE2-NE2 3.26Å; E486-F516 HydrophobicContact CB-CE1 4.4Å; E486-S539 CarbonylContact O-C 3.45Å; E486-S539 VanDerWaalsContact O-CA 3.25Å; E486-S539 WeakPolarHBondContact O-CA 3.2Å; E486-S539 WeakPolarHBondContact O-CB 3.41Å; E486-I540 HydrophobicContact CB-CG2 4.43Å; E486-I540 PolarHBondContact N-O 3.21Å; E486-I540 PolarHBondContact O-N 3.24Å
487P83.7Confident80.9Confident43 Ų4350.3 Ų50.328%0.27930%0.295SS..EExtended strand (participates in β ladder)trans-58.2136173.6-19.228.9000111.2A489 N490P487-A489 PolarHBondContact O-N 3.01Å; P487-N490 PolarHBondContact O-N 3.48Å
488L78.9Confident80.4Confident57 Ų5752.9 Ų52.930%0.29831%0.312SS..G310 helixtrans-57.2-26177-91.7103.5000112.6E486 N490 I491 V533 N538 S539E486-L488 PolarHBondContact O-N 2.88Å; L488-N490 PolarHBondContact O-N 2.91Å; L488-I491 PolarHBondContact O-N 3.45Å; L488-V533 HydrophobicContact CD1-CG1 3.93Å; L488-V533 HydrophobicContact CD1-CG2 4.33Å; L488-V533 HydrophobicContact CD2-CG1 4.42Å; L488-V533 HydrophobicContact CD2-CG2 4.16Å; L488-N538 VanDerWaalsContact CD1-O 3.26Å; L488-N538 WeakPolarHBondContact CD1-O 3.35Å; L488-N538 PolarHBondContact N-O 3.47Å; L488-S539 VanDerWaalsContact CD1-N 3.32Å; L488-S539 WeakPolarHBondContact CD1-O 3.32Å
489A77.1Confident79.4Confident95 Ų9557 Ų5779%0.78533%0.334SS*.G310 helixtrans-62-2417800000114P487P487-A489 PolarHBondContact O-N 3.01Å
490N75.7Confident78.1Confident101 Ų10158.1 Ų58.154%0.5434%0.34SS..G310 helixtrans-88-7.6-178.1-68.2-4.5000113.2E486 P487 L488E486-N490 HydrophobicContact CG-CB 4.03Å; E486-N490 WeakPolarHBondContact OE1-CB 3.37Å; P487-N490 PolarHBondContact O-N 3.48Å; L488-N490 PolarHBondContact O-N 2.91Å
491I74.6Confident76.7Confident14 Ų1456.7 Ų56.77%0.07234%0.342CS..SBendtrans-109.6119.1-170.2-61170.2000110.3E486 L488 T493 L496 I540 W542E486-I491 HydrophobicContact CB-CD1 4.34Å; E486-I491 HydrophobicContact CG-CD1 4.39Å; E486-I491 HydrophobicContact CG-CG1 4.46Å; L488-I491 PolarHBondContact O-N 3.45Å; I491-T493 PolarHBondContact O-N 3.18Å; I491-L496 HydrophobicContact CG2-CD1 3.97Å; I491-L496 HydrophobicContact CG2-CD2 4.12Å; I491-L496 HydrophobicContact CG2-CG 4.07Å; I491-I540 HydrophobicContact CD1-CB 4.28Å; I491-I540 HydrophobicContact CD1-CG2 3.11Å; I491-W542 HydrophobicContact CD1-CZ2 4.05Å
492D71.9Confident75Confident121 Ų12163 Ų6365%0.64737%0.371SS*.  trans-65.8107.9167.3-77.1-22.2000109.4S494 T495D492-S494 PolarHBondContact O-N 2.96Å; D492-T495 HydrophobicContact CB-CG2 4.12Å; D492-T495 WeakPolarHBondContact O-CB 3.27Å; D492-T495 PolarHBondContact O-N 3.36Å; D492-T495 PolarHBondContact O-OG1 3.49Å
493T68.4Low73.4Confident115 Ų11571.1 Ų71.171%0.70641%0.406SS*.G310 helixtrans-52.2-24.4-179.753.50000113.8I491 T495 L496I491-T493 PolarHBondContact O-N 3.18Å; T493-T495 PolarHBondContact O-N 3.06Å; T493-L496 PolarHBondContact O-N 2.96Å
494S68.6Low72.1Confident91 Ų9173.5 Ų73.564%0.63643%0.433SS*.G310 helixtrans-63-16.8174.273.90000115D492D492-S494 PolarHBondContact O-N 2.96Å
495T71.4Confident71.1Confident33 Ų3377.8 Ų77.820%0.20246%0.456CS..G310 helixtrans-92.3-1.1179.666.40000113.2D492 T493 K511D492-T495 HydrophobicContact CB-CG2 4.12Å; D492-T495 WeakPolarHBondContact O-CB 3.27Å; D492-T495 PolarHBondContact O-N 3.36Å; D492-T495 PolarHBondContact O-OG1 3.49Å; T493-T495 PolarHBondContact O-N 3.06Å; T495-K511 WeakPolarHBondContact O-CA 3.36Å; T495-K511 WeakPolarHBondContact O-CB 3.45Å; T495-K511 PolarHBondContact O-N 3.08Å
496L74.8Confident70.3Confident33 Ų3380 Ų8017%0.17347%0.469CS..EExtended strand (participates in β ladder)trans-105.5147.4-178.4-56.6179.3000111.8I491 T493 Y508 Q509 I540 W542I491-L496 HydrophobicContact CG2-CD1 3.97Å; I491-L496 HydrophobicContact CG2-CD2 4.12Å; I491-L496 HydrophobicContact CG2-CG 4.07Å; T493-L496 PolarHBondContact O-N 2.96Å; L496-Y508 HydrophobicContact CB-CD1 3.86Å; L496-Y508 HydrophobicContact CD1-CD1 3.84Å; L496-Y508 HydrophobicContact CD1-CE1 4.34Å; L496-Y508 HydrophobicContact CD1-CG 4.17Å; L496-Y508 HydrophobicContact CG-CD1 4.44Å; L496-Q509 CarbonylContact C-O 3.51Å; L496-Q509 WeakPolarHBondContact CA-O 3.49Å; L496-I540 HydrophobicContact CD1-CD1 4.3Å; L496-W542 HydrophobicContact CD2-CH2 3.34Å; L496-W542 HydrophobicContact CD2-CZ2 3.9Å; L496-W542 HydrophobicContact CD2-CZ3 4.37Å
497V76.2Confident70Confident61 Ų6181 Ų8137%0.3748%0.477SS..EExtended strand (participates in β ladder)trans-119.5119.9167.9179.80000107.9L499 Y508 Q509 K511V497-L499 PolarHBondContact O-N 2.87Å; V497-Y508 CarbonylContact O-C 3.59Å; V497-Y508 WeakPolarHBondContact O-CA 3.12Å; V497-Q509 HydrophobicContact CB-CB 4.35Å; V497-Q509 PolarHBondContact N-O 2.96Å; V497-Q509 PolarHBondContact O-N 3.45Å; V497-K511 HydrophobicContact CG2-CB 4.38Å
498T77.2Confident69.9Low93 Ų9381.7 Ų81.757%0.57147%0.474SS*.EExtended strand (participates in β ladder)trans-72.8121.3172.849.60000109.5V506 Y508T498-V506 HydrophobicContact CG2-CG1 4.19Å; T498-Y508 HydrophobicContact CG2-CD1 3.61Å; T498-Y508 HydrophobicContact CG2-CE1 3.35Å
499L69.1Low70.1Confident87 Ų8781.9 Ų81.946%0.45547%0.473SS..EExtended strand (participates in β ladder)trans-98.9-36.3-174.7-80.1173.6000114.1V497 V507 Q509 L530V497-L499 PolarHBondContact O-N 2.87Å; L499-V507 PolarHBondContact N-O 2.96Å; L499-Q509 HydrophobicContact CD1-CB 3.57Å; L499-Q509 HydrophobicContact CD1-CG 4.05Å; L499-Q509 HydrophobicContact CG-CB 3.98Å; L499-L530 HydrophobicContact CD1-CD2 3.37Å
500D64Low70.3Confident91 Ų9177.6 Ų77.649%0.48744%0.438SS..EExtended strand (participates in β ladder)trans-170.2161.1173.2-139.4-5.4000111.7Q502 V507D500-Q502 HydrophobicContact CB-CG 4.42Å; D500-Q502 PolarHBondContact OD2-NE2 3.24Å; D500-V507 PolarHBondContact O-N 3.49Å
501V60.9Low70.5Confident97 Ų9778.5 Ų78.559%0.58844%0.437SS*.EExtended strand (participates in β ladder)trans-111.394.5168-175.70000107.1V506V501-V506 HydrophobicContact CG2-CG2 4.36Å
502Q52.8Low70.7Confident134 Ų13484.7 Ų84.763%0.62646%0.463SS*.EExtended strand (participates in β ladder)trans-114.2129.4172.7-67.4-1719.900108.5D500 G504 D505D500-Q502 HydrophobicContact CB-CG 4.42Å; D500-Q502 PolarHBondContact OD2-NE2 3.24Å; Q502-G504 VanDerWaalsContact C-N 3.33Å; Q502-G504 PolarHBondContact O-N 2.94Å; Q502-D505 PolarHBondContact O-N 2.93Å
503E53.7Low71.2Confident201 Ų20181.6 Ų81.694%0.93945%0.451SS*.THydrogen-bonded Turntrans57.335.5176.4-61-177.8167.400115.6D505E503-D505 VanDerWaalsContact C-N 3.3Å; E503-D505 PolarHBondContact O-N 3.44Å
504G58.6Low71.7Confident65 Ų6578.4 Ų78.467%0.6743%0.428SS*.THydrogen-bonded Turntrans88.1-18.117300000115.1Q502Q502-G504 VanDerWaalsContact C-N 3.33Å; Q502-G504 PolarHBondContact O-N 2.94Å
505D65Low72.2Confident92 Ų9279 Ų7949%0.49242%0.417SS..EExtended strand (participates in β ladder)trans-93.2127.7178.3-73.4-15.1000111.8Q502 E503 V507Q502-D505 PolarHBondContact O-N 2.93Å; E503-D505 VanDerWaalsContact C-N 3.3Å; E503-D505 PolarHBondContact O-N 3.44Å; D505-V507 PolarHBondContact O-N 3.07Å
506V69.7Low72.2Confident46 Ų4679.3 Ų79.328%0.27942%0.416SS..EExtended strand (participates in β ladder)trans-81.2116.6174.5-1750000109.3T498 V501 Y508T498-V506 HydrophobicContact CG2-CG1 4.19Å; V501-V506 HydrophobicContact CG2-CG2 4.36Å; V506-Y508 HydrophobicContact CB-CE2 3.81Å; V506-Y508 HydrophobicContact CG1-CD2 4.14Å; V506-Y508 HydrophobicContact CG1-CE1 4.25Å; V506-Y508 HydrophobicContact CG1-CE2 3.48Å; V506-Y508 VanDerWaalsContact CG1-CE2 3.48Å; V506-Y508 WeakPolarHBondContact O-CD2 3.33Å
507V76.9Confident71.9Confident32 Ų3280.6 Ų80.619%0.19442%0.42CS..EExtended strand (participates in β ladder)trans-91.5119.6177.5-1730000110.3L499 D500 D505 L530 G531 T532L499-V507 PolarHBondContact N-O 2.96Å; D500-V507 PolarHBondContact O-N 3.49Å; D505-V507 PolarHBondContact O-N 3.07Å; V507-L530 HydrophobicContact CG1-CB 4.26Å; V507-L530 HydrophobicContact CG1-CD2 4.22Å; V507-G531 CarbonylContact C-O 3.6Å; V507-G531 WeakPolarHBondContact CA-O 3.13Å; V507-T532 HydrophobicContact CG2-CG2 4.18Å
508Y81.6Confident71.3Confident56 Ų5683.3 Ų83.322%0.2243%0.433CS..EExtended strand (participates in β ladder)trans-101.3158.7175-63.3-90.3000111.4L496 V497 T498 V506 L530 G531 V533 I540L496-Y508 HydrophobicContact CB-CD1 3.86Å; L496-Y508 HydrophobicContact CD1-CD1 3.84Å; L496-Y508 HydrophobicContact CD1-CE1 4.34Å; L496-Y508 HydrophobicContact CD1-CG 4.17Å; L496-Y508 HydrophobicContact CG-CD1 4.44Å; V497-Y508 CarbonylContact O-C 3.59Å; V497-Y508 WeakPolarHBondContact O-CA 3.12Å; T498-Y508 HydrophobicContact CG2-CD1 3.61Å; T498-Y508 HydrophobicContact CG2-CE1 3.35Å; V506-Y508 HydrophobicContact CB-CE2 3.81Å; V506-Y508 HydrophobicContact CG1-CD2 4.14Å; V506-Y508 HydrophobicContact CG1-CE1 4.25Å; V506-Y508 HydrophobicContact CG1-CE2 3.48Å; V506-Y508 VanDerWaalsContact CG1-CE2 3.48Å; V506-Y508 WeakPolarHBondContact O-CD2 3.33Å; Y508-L530 CarbonylContact O-C 3.6Å; Y508-L530 VanDerWaalsContact O-CA 3.28Å; Y508-L530 WeakPolarHBondContact O-CA 3.19Å; Y508-G531 PolarHBondContact N-O 3.5Å; Y508-G531 PolarHBondContact O-N 3.22Å; Y508-V533 HydrophobicContact CD2-CG2 3.67Å; Y508-V533 HydrophobicContact CE2-CB 4.1Å; Y508-V533 HydrophobicContact CE2-CG2 3.25Å; Y508-I540 HydrophobicContact CD2-CD1 4.12Å; Y508-I540 HydrophobicContact CG-CD1 4.25Å
509Q83.5Confident70.5Confident62 Ų6284.1 Ų84.129%0.2944%0.442SS..EExtended strand (participates in β ladder)trans-129.2132.7173.8-170.1-179.832.400110.9L496 V497 L499 K511 G528 T529 L530L496-Q509 CarbonylContact C-O 3.51Å; L496-Q509 WeakPolarHBondContact CA-O 3.49Å; V497-Q509 HydrophobicContact CB-CB 4.35Å; V497-Q509 PolarHBondContact N-O 2.96Å; V497-Q509 PolarHBondContact O-N 3.45Å; L499-Q509 HydrophobicContact CD1-CB 3.57Å; L499-Q509 HydrophobicContact CD1-CG 4.05Å; L499-Q509 HydrophobicContact CG-CB 3.98Å; Q509-K511 PolarHBondContact O-N 3.03Å; Q509-G528 WeakPolarHBondContact CG-O 3.44Å; Q509-G528 PolarHBondContact NE2-O 3.49Å; Q509-T529 WeakPolarHBondContact CA-O 3.24Å; Q509-L530 HydrophobicContact CB-CD2 4.38Å; Q509-L530 HydrophobicContact CG-CD2 4.38Å
510A81.6Confident70.1Confident5 Ų584.7 Ų84.74%0.04145%0.454CS..EExtended strand (participates in β ladder)trans-68.5116.9176.700000111.6G528 T529 W542A510-G528 PolarHBondContact O-N 3.43Å; A510-T529 PolarHBondContact N-O 3.41Å; A510-W542 HydrophobicContact CB-CH2 3.73Å; A510-W542 HydrophobicContact CB-CZ3 3.72Å
511K79.2Confident70Confident119 Ų11981.4 Ų81.452%0.51744%0.437SS..SBendtrans-77-25.4178.1-170.8176.8178.5176.90113.1T495 V497 Q509 K527T495-K511 WeakPolarHBondContact O-CA 3.36Å; T495-K511 WeakPolarHBondContact O-CB 3.45Å; T495-K511 PolarHBondContact O-N 3.08Å; V497-K511 HydrophobicContact CG2-CB 4.38Å; Q509-K511 PolarHBondContact O-N 3.03Å; K511-K527 WeakPolarHBondContact O-CD 3.19Å; K511-K527 WeakPolarHBondContact O-CE 3.31Å; K511-K527 WeakPolarHBondContact O-CG 3.43Å
512K80.4Confident70.5Confident144 Ų14484.6 Ų84.663%0.62645%0.451SS*.SBendtrans-135.2158.7177.8-68.3-177.1179.6177.40108.9H514K512-H514 PolarHBondContact O-N 3.27Å
513S82.4Confident71.7Confident57 Ų5779.8 Ų79.840%0.39943%0.43SS..  trans-67.5129.2170.6-54.40000109.4I525 K527S513-I525 CarbonylContact C-O 3.29Å; S513-I525 WeakPolarHBondContact CA-O 3.33Å; S513-K527 PolarHBondContact OG-N 3.02Å
514H79.2Confident73Confident47 Ų4772.2 Ų72.222%0.21840%0.399CS..EExtended strand (participates in β ladder)trans-106.8128.5-179.3-17660.9000109.3E486 K512 C524 I525E486-H514 VanDerWaalsContact CD-NE2 3.28Å; E486-H514 IonicContact OE1-CD2 2.89Å; E486-H514 IonicContact OE1-CE1 3.96Å; E486-H514 IonicContact OE1-NE2 2.85Å; E486-H514 PolarHBondContact OE1-NE2 3.11Å; E486-H514 IonicContact OE2-CD2 3.65Å; E486-H514 PolarHBondContact OE2-CD2 3.1Å; E486-H514 IonicContact OE2-NE2 2.96Å; E486-H514 PolarHBondContact OE2-NE2 3.26Å; K512-H514 PolarHBondContact O-N 3.27Å; H514-C524 CarbonylContact O-C 3.6Å; H514-C524 WeakPolarHBondContact O-CA 3.28Å; H514-C524 WeakPolarHBondContact O-CB 3.37Å; H514-I525 HydrophobicContact CB-CB 4.31Å; H514-I525 PolarHBondContact N-O 3.41Å; H514-I525 PolarHBondContact O-N 2.97Å
515Y77.1Confident74.2Confident103 Ų10369.1 Ų69.140%0.40437%0.367SS..EExtended strand (participates in β ladder)trans-103.5134.3-178.5-68.1-95.6000109F517 S521 C524Y515-F517 PolarHBondContact O-N 3.41Å; Y515-S521 WeakPolarHBondContact CD1-O 3.43Å; Y515-C524 HydrophobicContact CD1-CB 3.5Å; Y515-C524 HydrophobicContact CD2-CB 4.42Å; Y515-C524 HydrophobicContact CE1-CB 3.54Å; Y515-C524 HydrophobicContact CE2-CB 4.45Å; Y515-C524 HydrophobicContact CG-CB 3.96Å
516F71.5Confident75.2Confident40 Ų4067.5 Ų67.518%0.17536%0.361CS..SBendtrans-71.2-30.1-174.5-75.7-75.7000114.3C484 E486 L523 I525 F551C484-F516 WeakPolarHBondContact SG-CZ 3.4Å; E486-F516 HydrophobicContact CB-CE1 4.4Å; F516-L523 HydrophobicContact CD2-CB 4.16Å; F516-L523 PolarHBondContact N-O 2.87Å; F516-I525 HydrophobicContact CE1-CD1 4.1Å; F516-I525 HydrophobicContact CE1-CG1 4.46Å; F516-I525 HydrophobicContact CE2-CD1 4.18Å; F516-I525 HydrophobicContact CE2-CG1 3.65Å; F516-I525 HydrophobicContact CZ-CD1 3.58Å; F516-I525 HydrophobicContact CZ-CG1 3.55Å; F516-F551 HydrophobicContact CG-CE2 4.4Å
517F69Low75.9Confident61 Ų6172.2 Ų72.227%0.26838%0.378SS..SBendtrans-118-114.3-178.3-50.6-62.7000108.9Y515 L523 F551 S554 R558Y515-F517 PolarHBondContact O-N 3.41Å; F517-L523 HydrophobicContact CE2-CD1 3.92Å; F517-F551 HydrophobicContact CZ-CE2 4.23Å; F517-F551 HydrophobicContact CZ-CZ 4.15Å; F517-S554 WeakPolarHBondContact CE2-OG 3.24Å; F517-R558 VanDerWaalsContact CD1-CD 3.49Å; F517-R558 VanDerWaalsContact CE1-CD 3.49Å
518D63.8Low76.3Confident118 Ų11872.1 Ų72.163%0.63138%0.383SS*.  trans-96.4163.8172.9-61.2-36.3000110.7S520 S521D518-S520 PolarHBondContact O-N 3.26Å; D518-S521 WeakPolarHBondContact O-CB 3.38Å; D518-S521 PolarHBondContact O-N 3.05Å; D518-S521 PolarHBondContact O-OG 2.94Å
519S61Low76.6Confident110 Ų11070.2 Ų70.277%0.76938%0.377SS*.THydrogen-bonded Turntrans-59.8-11.6175.554.80000114.3
520S60.9Low76.7Confident99 Ų9970.6 Ų70.669%0.69238%0.381SS*.THydrogen-bonded Turntrans-86.1-9.1172.755.60000113.7D518D518-S520 PolarHBondContact O-N 3.26Å
521S62.2Low76.9Confident21 Ų2170.3 Ų70.315%0.14738%0.379CS..  trans-75.6135.1176.665.90000110.6Y515 D518 L523Y515-S521 WeakPolarHBondContact CD1-O 3.43Å; D518-S521 WeakPolarHBondContact O-CB 3.38Å; D518-S521 PolarHBondContact O-N 3.05Å; D518-S521 PolarHBondContact O-OG 2.94Å; S521-L523 PolarHBondContact O-N 3.32Å
522N69.7Low77.2Confident165 Ų16565.1 Ų65.188%0.88236%0.357SS*.SBendtrans-72.8-2.2175.9-68.4-22.2000112.8
523L78.2Confident77.3Confident33 Ų3359.2 Ų59.217%0.17333%0.333CS..  trans-99.1102.9-177.8-68.9166.6000109.5F516 F517 S521 F551 S554F516-L523 HydrophobicContact CD2-CB 4.16Å; F516-L523 PolarHBondContact N-O 2.87Å; F517-L523 HydrophobicContact CE2-CD1 3.92Å; S521-L523 PolarHBondContact O-N 3.32Å; L523-F551 HydrophobicContact CD1-CD2 3.99Å; L523-S554 WeakPolarHBondContact CD1-OG 3.42Å
524C81.8Confident77Confident42 Ų4258 Ų5828%0.28432%0.324SS..EExtended strand (participates in β ladder)trans-131.5145.7174.869.90000111.7H514 Y515 P526H514-C524 CarbonylContact O-C 3.6Å; H514-C524 WeakPolarHBondContact O-CA 3.28Å; H514-C524 WeakPolarHBondContact O-CB 3.37Å; Y515-C524 HydrophobicContact CD1-CB 3.5Å; Y515-C524 HydrophobicContact CD2-CB 4.42Å; Y515-C524 HydrophobicContact CE1-CB 3.54Å; Y515-C524 HydrophobicContact CE2-CB 4.45Å; Y515-C524 HydrophobicContact CG-CB 3.96Å; C524-P526 WeakPolarHBondContact O-CD 3.46Å
525I84.5Confident76.9Confident0 Ų062.4 Ų62.40%035%0.349CS..EExtended strand (participates in β ladder)trans-79.9116.7163.5-54.7175.1000106.5S513 H514 F516 T529 W542 M544S513-I525 CarbonylContact C-O 3.29Å; S513-I525 WeakPolarHBondContact CA-O 3.33Å; H514-I525 HydrophobicContact CB-CB 4.31Å; H514-I525 PolarHBondContact N-O 3.41Å; H514-I525 PolarHBondContact O-N 2.97Å; F516-I525 HydrophobicContact CE1-CD1 4.1Å; F516-I525 HydrophobicContact CE1-CG1 4.46Å; F516-I525 HydrophobicContact CE2-CD1 4.18Å; F516-I525 HydrophobicContact CE2-CG1 3.65Å; F516-I525 HydrophobicContact CZ-CD1 3.58Å; F516-I525 HydrophobicContact CZ-CG1 3.55Å; I525-T529 HydrophobicContact CG2-CG2 4.11Å; I525-W542 HydrophobicContact CD1-CB 4.46Å; I525-W542 HydrophobicContact CD1-CD2 4.08Å; I525-W542 HydrophobicContact CD1-CG 3.72Å; I525-W542 VanDerWaalsContact CD1-NE1 3.27Å; I525-W542 HydrophobicContact CG2-CD2 4.12Å; I525-W542 HydrophobicContact CG2-CE3 4.32Å; I525-W542 HydrophobicContact CG2-CG 4.26Å; I525-M544 HydrophobicContact CB-SD 4.29Å; I525-M544 HydrophobicContact CG1-SD 4.19Å; I525-M544 HydrophobicContact CG2-SD 4.04Å
526P84.5Confident76.6Confident57 Ų5764.2 Ų64.237%0.3736%0.355SS..PPolyproline II helixtrans-67.6151.5-178.725.3-30.1000110.9C524 G528 T529C524-P526 WeakPolarHBondContact O-CD 3.46Å; P526-G528 PolarHBondContact O-N 2.95Å; P526-T529 WeakPolarHBondContact CG-OG1 3.33Å; P526-T529 PolarHBondContact O-N 3.38Å; P526-T529 PolarHBondContact O-OG1 2.92Å
527K85.5Confident76.7Confident146 Ų14664.9 Ų64.964%0.63536%0.358SS*.THydrogen-bonded Turntrans-55135.5169.7176.7-180176.5-177.70110.3K511 S513K511-K527 WeakPolarHBondContact O-CD 3.19Å; K511-K527 WeakPolarHBondContact O-CE 3.31Å; K511-K527 WeakPolarHBondContact O-CG 3.43Å; S513-K527 PolarHBondContact OG-N 3.02Å
528G85.2Confident77.3Confident30 Ų3067.1 Ų67.131%0.30937%0.373SS..THydrogen-bonded Turntrans98.6-8.5176.200000114.9Q509 A510 P526Q509-G528 WeakPolarHBondContact CG-O 3.44Å; Q509-G528 PolarHBondContact NE2-O 3.49Å; A510-G528 PolarHBondContact O-N 3.43Å; P526-G528 PolarHBondContact O-N 2.95Å
529T86.8Confident78.3Confident15 Ų1561.5 Ų61.59%0.09234%0.343CS..  trans-62.1139175.6-51.40000110.9Q509 A510 I525 P526 W542 M544Q509-T529 WeakPolarHBondContact CA-O 3.24Å; A510-T529 PolarHBondContact N-O 3.41Å; I525-T529 HydrophobicContact CG2-CG2 4.11Å; P526-T529 WeakPolarHBondContact CG-OG1 3.33Å; P526-T529 PolarHBondContact O-N 3.38Å; P526-T529 PolarHBondContact O-OG1 2.92Å; T529-W542 HydrophobicContact CG2-CB 4.06Å; T529-W542 HydrophobicContact CG2-CE3 4.13Å; T529-W542 WeakPolarHBondContact O-CZ3 3.32Å; T529-M544 HydrophobicContact CG2-CB 3.89Å; T529-M544 HydrophobicContact CG2-CG 4.19Å; T529-M544 HydrophobicContact CG2-SD 4.43Å
530L86.6Confident79.5Confident70 Ų7056.3 Ų56.337%0.36631%0.307SS..EExtended strand (participates in β ladder)trans-85.8139.2177.5-59.5177000110L499 V507 Y508 Q509 W542 K543L499-L530 HydrophobicContact CD1-CD2 3.37Å; V507-L530 HydrophobicContact CG1-CB 4.26Å; V507-L530 HydrophobicContact CG1-CD2 4.22Å; Y508-L530 CarbonylContact O-C 3.6Å; Y508-L530 VanDerWaalsContact O-CA 3.28Å; Y508-L530 WeakPolarHBondContact O-CA 3.19Å; Q509-L530 HydrophobicContact CB-CD2 4.38Å; Q509-L530 HydrophobicContact CG-CD2 4.38Å; L530-W542 CarbonylContact O-C 3.56Å; L530-W542 WeakPolarHBondContact O-CA 3.38Å; L530-K543 PolarHBondContact O-N 2.64Å
531G85.5Confident80.7Confident0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-125.8137.4176.900000111.3V507 Y508 Q541V507-G531 CarbonylContact C-O 3.6Å; V507-G531 WeakPolarHBondContact CA-O 3.13Å; Y508-G531 PolarHBondContact N-O 3.5Å; Y508-G531 PolarHBondContact O-N 3.22Å; G531-Q541 CarbonylContact C-O 3.5Å; G531-Q541 WeakPolarHBondContact CA-O 3.45Å
532T85.8Confident81.9Confident9 Ų952.2 Ų52.26%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-109.1131.4169.741.50000109.1V507 I540 Q541V507-T532 HydrophobicContact CG2-CG2 4.18Å; T532-I540 CarbonylContact O-C 3.46Å; T532-I540 WeakPolarHBondContact O-CA 3.45Å; T532-Q541 PolarHBondContact N-O 3.45Å; T532-Q541 PolarHBondContact O-N 3.46Å
533V81.8Confident82.7Confident21 Ų2150.1 Ų50.113%0.12726%0.257CS..EExtended strand (participates in β ladder)trans-79.8126.2177166.40000109.3L488 Y508 I540L488-V533 HydrophobicContact CD1-CG1 3.93Å; L488-V533 HydrophobicContact CD1-CG2 4.33Å; L488-V533 HydrophobicContact CD2-CG1 4.42Å; L488-V533 HydrophobicContact CD2-CG2 4.16Å; Y508-V533 HydrophobicContact CD2-CG2 3.67Å; Y508-V533 HydrophobicContact CE2-CB 4.1Å; Y508-V533 HydrophobicContact CE2-CG2 3.25Å; V533-I540 HydrophobicContact CG2-CB 4.38Å; V533-I540 HydrophobicContact CG2-CD1 4.33Å; V533-I540 HydrophobicContact CG2-CG1 4.11Å
534C77.3Confident83.1Confident30 Ų3050.2 Ų50.220%0.20326%0.257CS..EExtended strand (participates in β ladder)trans-103.6103.2174-170.10000108.8Q448 R536 F537 N538 S539 Q541Q448-C534 PolarHBondContact NE2-SG 3.47Å; Q448-C534 VanDerWaalsContact NE2-SG 3.4Å; C534-R536 VanDerWaalsContact C-N 3.26Å; C534-R536 PolarHBondContact O-N 2.93Å; C534-F537 PolarHBondContact O-N 3Å; C534-N538 PolarHBondContact O-N 3.02Å; C534-N538 VanDerWaalsContact O-N 3.15Å; C534-S539 PolarHBondContact N-O 3Å; C534-S539 PolarHBondContact O-N 3Å; C534-Q541 HydrophobicContact CB-CG 4.28Å
535D75.5Confident83.4Confident140 Ų14054.6 Ų54.675%0.74927%0.272SS*.G310 helixtrans-60.2-34.7-175.2-72.9-16.8000112.7F537 N538D535-F537 VanDerWaalsContact C-N 3.34Å; D535-F537 PolarHBondContact O-N 3.49Å; D535-N538 PolarHBondContact O-N 3.44Å
536R72.4Confident83.6Confident142 Ų14255.7 Ų55.754%0.53628%0.276SS..G310 helixtrans-58.9-41.6-177.8-70.2-172.4-177.9152.84113.4C534C534-R536 VanDerWaalsContact C-N 3.26Å; C534-R536 PolarHBondContact O-N 2.93Å
537F72.3Confident83.8Confident53 Ų5354.6 Ų54.623%0.23227%0.267CS..G310 helixtrans-100-0.8-178.9-60.9-76.7000112.6Y409 Q448 C452 C534 D535 S539Y409-F537 AromaticContact CE1-CE1 3.95Å; Y409-F537 HydrophobicContact CE1-CE1 3.95Å; Y409-F537 AromaticContact CE1-CZ 3.85Å; Y409-F537 HydrophobicContact CE1-CZ 3.85Å; Y409-F537 AromaticContact CZ-CZ 3.88Å; Q448-F537 HydrophobicContact CG-CD2 3.55Å; Q448-F537 HydrophobicContact CG-CE2 3.55Å; Q448-F537 HydrophobicContact CG-CG 4.06Å; Q448-F537 HydrophobicContact CG-CZ 4.07Å; Q448-F537 VanDerWaalsContact NE2-CD2 3.25Å; C452-F537 WeakPolarHBondContact SG-CD1 3.18Å; C534-F537 PolarHBondContact O-N 3Å; D535-F537 VanDerWaalsContact C-N 3.34Å; D535-F537 PolarHBondContact O-N 3.49Å; F537-S539 PolarHBondContact O-N 3.13Å
538N81.7Confident84Confident108 Ų10847.6 Ų47.658%0.57824%0.237SC*.THydrogen-bonded Turntrans47.544.7-169.4-153.210000110.6L488 C534 D535L488-N538 VanDerWaalsContact CD1-O 3.26Å; L488-N538 WeakPolarHBondContact CD1-O 3.35Å; L488-N538 PolarHBondContact N-O 3.47Å; C534-N538 PolarHBondContact O-N 3.02Å; C534-N538 VanDerWaalsContact O-N 3.15Å; D535-N538 PolarHBondContact O-N 3.44Å
539S84.9Confident84.2Confident0 Ų046.8 Ų46.80%022%0.224CC..EExtended strand (participates in β ladder)trans-120.9154.7-176.969.80000111.3Q448 E486 L488 C534 F537Q448-S539 PolarHBondContact OE1-OG 2.75Å; E486-S539 CarbonylContact O-C 3.45Å; E486-S539 VanDerWaalsContact O-CA 3.25Å; E486-S539 WeakPolarHBondContact O-CA 3.2Å; E486-S539 WeakPolarHBondContact O-CB 3.41Å; L488-S539 VanDerWaalsContact CD1-N 3.32Å; L488-S539 WeakPolarHBondContact CD1-O 3.32Å; C534-S539 PolarHBondContact N-O 3Å; C534-S539 PolarHBondContact O-N 3Å; F537-S539 PolarHBondContact O-N 3.13Å
540I85.8Confident84.2Confident2 Ų251.6 Ų51.61%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-103.6132.7165-164.6170.8000108.5S485 E486 I491 L496 Y508 T532 V533 W542S485-I540 CarbonylContact C-O 3.5Å; S485-I540 VanDerWaalsContact CA-O 3.26Å; S485-I540 WeakPolarHBondContact CA-O 3.21Å; E486-I540 HydrophobicContact CB-CG2 4.43Å; E486-I540 PolarHBondContact N-O 3.21Å; E486-I540 PolarHBondContact O-N 3.24Å; I491-I540 HydrophobicContact CD1-CB 4.28Å; I491-I540 HydrophobicContact CD1-CG2 3.11Å; L496-I540 HydrophobicContact CD1-CD1 4.3Å; Y508-I540 HydrophobicContact CD2-CD1 4.12Å; Y508-I540 HydrophobicContact CG-CD1 4.25Å; T532-I540 CarbonylContact O-C 3.46Å; T532-I540 WeakPolarHBondContact O-CA 3.45Å; V533-I540 HydrophobicContact CG2-CB 4.38Å; V533-I540 HydrophobicContact CG2-CD1 4.33Å; V533-I540 HydrophobicContact CG2-CG1 4.11Å; I540-W542 HydrophobicContact CD1-CH2 4.13Å; I540-W542 HydrophobicContact CD1-CZ2 3.99Å; I540-W542 HydrophobicContact CD1-CZ3 4.47Å; I540-W542 HydrophobicContact CG2-CD2 4.48Å; I540-W542 HydrophobicContact CG2-CZ2 4.15Å; I540-W542 VanDerWaalsContact CG2-NE1 3.28Å
541Q86.6Confident84.3Confident31 Ų3148.8 Ų48.815%0.14523%0.231CC..EExtended strand (participates in β ladder)trans-99.9107.7176.7-54.3-170.4-40.800109.6S485 G531 T532 C534S485-Q541 WeakPolarHBondContact OG-CG 3.33Å; G531-Q541 CarbonylContact C-O 3.5Å; G531-Q541 WeakPolarHBondContact CA-O 3.45Å; T532-Q541 PolarHBondContact N-O 3.45Å; T532-Q541 PolarHBondContact O-N 3.46Å; C534-Q541 HydrophobicContact CB-CG 4.28Å
542W87.9Confident84.4Confident3 Ų348.8 Ų48.81%0.01123%0.231CC..EExtended strand (participates in β ladder)trans-82.5117.8177.8-61.1102.2000111.3C483 C484 I491 L496 A510 I525 T529 L530 I540 M544C483-W542 CarbonylContact C-O 3.18Å; C483-W542 VanDerWaalsContact CA-O 3.27Å; C483-W542 WeakPolarHBondContact CA-O 3.49Å; C484-W542 PolarHBondContact N-O 2.98Å; C484-W542 WeakPolarHBondContact O-CA 3.48Å; C484-W542 VanDerWaalsContact O-CB 3.28Å; C484-W542 WeakPolarHBondContact O-CB 3.18Å; C484-W542 PolarHBondContact O-N 2.96Å; I491-W542 HydrophobicContact CD1-CZ2 4.05Å; L496-W542 HydrophobicContact CD2-CH2 3.34Å; L496-W542 HydrophobicContact CD2-CZ2 3.9Å; L496-W542 HydrophobicContact CD2-CZ3 4.37Å; A510-W542 HydrophobicContact CB-CH2 3.73Å; A510-W542 HydrophobicContact CB-CZ3 3.72Å; I525-W542 HydrophobicContact CD1-CB 4.46Å; I525-W542 HydrophobicContact CD1-CD2 4.08Å; I525-W542 HydrophobicContact CD1-CG 3.72Å; I525-W542 VanDerWaalsContact CD1-NE1 3.27Å; I525-W542 HydrophobicContact CG2-CD2 4.12Å; I525-W542 HydrophobicContact CG2-CE3 4.32Å; I525-W542 HydrophobicContact CG2-CG 4.26Å; T529-W542 HydrophobicContact CG2-CB 4.06Å; T529-W542 HydrophobicContact CG2-CE3 4.13Å; T529-W542 WeakPolarHBondContact O-CZ3 3.32Å; L530-W542 CarbonylContact O-C 3.56Å; L530-W542 WeakPolarHBondContact O-CA 3.38Å; I540-W542 HydrophobicContact CD1-CH2 4.13Å; I540-W542 HydrophobicContact CD1-CZ2 3.99Å; I540-W542 HydrophobicContact CD1-CZ3 4.47Å; I540-W542 HydrophobicContact CG2-CD2 4.48Å; I540-W542 HydrophobicContact CG2-CZ2 4.15Å; I540-W542 VanDerWaalsContact CG2-NE1 3.28Å; W542-M544 HydrophobicContact CB-CG 4.46Å; W542-M544 PolarHBondContact O-N 3.33Å
543K86.8Confident84.5Confident120 Ų12050.1 Ų50.152%0.52224%0.237SC..EExtended strand (participates in β ladder)trans-73.884.6177.5-62.6-173.8179.5-178.30110.4L530L530-K543 PolarHBondContact O-N 2.64Å
544M86.9Confident84.6Confident36 Ų3650.5 Ų50.518%0.17724%0.24CC..EExtended strand (participates in β ladder)trans-148.2144.8174.860.7173.1-81.700111.4P482 C484 I525 T529 W542P482-M544 CarbonylContact C-O 3.6Å; P482-M544 CarbonylContact O-C 3.51Å; P482-M544 VanDerWaalsContact O-C 3.28Å; P482-M544 PolarHBondContact O-N 2.7Å; P482-M544 VanDerWaalsContact O-N 3.12Å; C484-M544 HydrophobicContact CB-CG 4.23Å; I525-M544 HydrophobicContact CB-SD 4.29Å; I525-M544 HydrophobicContact CG1-SD 4.19Å; I525-M544 HydrophobicContact CG2-SD 4.04Å; T529-M544 HydrophobicContact CG2-CB 3.89Å; T529-M544 HydrophobicContact CG2-CG 4.19Å; T529-M544 HydrophobicContact CG2-SD 4.43Å; W542-M544 HydrophobicContact CB-CG 4.46Å; W542-M544 PolarHBondContact O-N 3.33Å
545F87Confident84.9Confident134 Ų13449.3 Ų49.359%0.58823%0.232SC*.EExtended strand (participates in β ladder)trans-77.7128.9171.6-67-71.4000111.2K480 L481 P482K480-F545 HydrophobicContact CD-CD1 4.14Å; K480-F545 HydrophobicContact CG-CB 4.13Å; K480-F545 HydrophobicContact CG-CD1 3.58Å; K480-F545 HydrophobicContact CG-CE1 4.3Å; K480-F545 HydrophobicContact CG-CG 4.08Å; L481-F545 VanDerWaalsContact O-CA 3.24Å; L481-F545 WeakPolarHBondContact O-CA 3.39Å; P482-F545 HydrophobicContact CB-CD1 4.25Å; P482-F545 HydrophobicContact CB-CE1 3.81Å
546Y88.9Confident85.3Confident22 Ų2242.7 Ų42.79%0.08620%0.196CC..EExtended strand (participates in β ladder)trans-143.7162.7173.775.7-70.3000112F449 L481 C483 C484 F551F449-Y546 HydrophobicContact CD1-CE2 4.4Å; F449-Y546 WeakPolarHBondContact CD1-OH 3.46Å; F449-Y546 HydrophobicContact CE1-CE2 4.48Å; F449-Y546 PolarHBondContact O-OH 3.36Å; L481-Y546 HydrophobicContact CB-CD1 4.05Å; L481-Y546 HydrophobicContact CB-CE1 3.58Å; L481-Y546 HydrophobicContact CD1-CE1 4.17Å; L481-Y546 HydrophobicContact CD1-CE2 4.34Å; L481-Y546 PolarHBondContact N-O 3.4Å; L481-Y546 PolarHBondContact O-N 3.47Å; L481-Y546 VanDerWaalsContact O-N 3.11Å; C483-Y546 VanDerWaalsContact O-CE1 3.29Å; C483-Y546 WeakPolarHBondContact O-CE1 3.29Å; C484-Y546 HydrophobicContact CB-CD1 3.72Å; C484-Y546 HydrophobicContact CB-CE1 3.47Å; C484-Y546 VanDerWaalsContact CB-CE1 3.47Å; C484-Y546 HydrophobicContact CB-CG 4.41Å; Y546-F551 HydrophobicContact CE2-CB 4.41Å
547N89.2Confident85.9Confident34 Ų3439.5 Ų39.518%0.18219%0.19CC..  trans-92.5108.9-179.7-175.3-23.3000110.2L479 W549 Q550 F551L479-N547 WeakPolarHBondContact CD1-ND2 3.4Å; L479-N547 WeakPolarHBondContact O-CA 3.48Å; N547-W549 VanDerWaalsContact C-N 3.29Å; N547-W549 PolarHBondContact O-N 3.01Å; N547-W549 WeakPolarHBondContact OD1-CA 3.44Å; N547-W549 VanDerWaalsContact OD1-CB 3.28Å; N547-W549 WeakPolarHBondContact OD1-CB 3.23Å; N547-W549 PolarHBondContact OD1-N 3.15Å; N547-Q550 HydrophobicContact CB-CB 4.19Å; N547-Q550 HydrophobicContact CB-CG 4.14Å; N547-Q550 PolarHBondContact O-N 2.9Å; N547-Q550 PolarHBondContact OD1-N 2.79Å; N547-F551 PolarHBondContact O-N 2.96Å
548G88.9Confident86.4Confident0 Ų041.6 Ų41.60%020%0.196CC..Hα-helixtrans-62.4-34.2178.900000112.8F478 F551 C552F478-G548 VanDerWaalsContact CE1-O 3.3Å; F478-G548 WeakPolarHBondContact CE1-O 3.39Å; F478-G548 WeakPolarHBondContact O-CA 3.36Å; F478-G548 PolarHBondContact O-N 3.47Å; G548-F551 WeakPolarHBondContact O-CB 3.37Å; G548-F551 PolarHBondContact O-N 2.87Å; G548-C552 PolarHBondContact O-N 2.94Å; G548-C552 PolarHBondContact O-SG 2.89Å
549W89.4Confident86.4Confident13 Ų1336.7 Ų36.75%0.04917%0.17CC..Hα-helixtrans-64.1-44.8176.9-61.5110.4000111.4F475 F478 N547 F551 C552 I553 L577 V578 V581 M592 Y595F475-W549 AromaticContact CD2-CE2 3.73Å; F475-W549 AromaticContact CD2-CZ2 3.73Å; F475-W549 HydrophobicContact CD2-CZ2 3.73Å; F475-W549 AromaticContact CD2-NE1 3.55Å; F475-W549 HydrophobicContact CE2-CZ2 4.45Å; F475-W549 AromaticContact CE2-NE1 3.76Å; F475-W549 PolarHBondContact O-NE1 2.87Å; F478-W549 HydrophobicContact CB-CZ2 4.3Å; F478-W549 AromaticContact CD1-CD1 3.9Å; F478-W549 AromaticContact CD1-CD2 3.51Å; F478-W549 HydrophobicContact CD1-CD2 3.51Å; F478-W549 AromaticContact CD1-CE2 3.57Å; F478-W549 AromaticContact CD1-CE3 3.92Å; F478-W549 HydrophobicContact CD1-CE3 3.92Å; F478-W549 AromaticContact CD1-CG 3.75Å; F478-W549 HydrophobicContact CD1-CG 3.75Å; F478-W549 HydrophobicContact CD1-CH2 4.46Å; F478-W549 HydrophobicContact CD1-CZ2 4.06Å; F478-W549 HydrophobicContact CD1-CZ3 4.39Å; F478-W549 AromaticContact CD1-NE1 3.8Å; F478-W549 HydrophobicContact CE1-CD2 4.06Å; F478-W549 HydrophobicContact CE1-CE3 4.09Å; F478-W549 HydrophobicContact CE1-CG 4.33Å; N547-W549 VanDerWaalsContact C-N 3.29Å; N547-W549 PolarHBondContact O-N 3.01Å; N547-W549 WeakPolarHBondContact OD1-CA 3.44Å; N547-W549 VanDerWaalsContact OD1-CB 3.28Å; N547-W549 WeakPolarHBondContact OD1-CB 3.23Å; N547-W549 PolarHBondContact OD1-N 3.15Å; W549-F551 VanDerWaalsContact C-N 3.25Å; W549-F551 PolarHBondContact O-N 3.36Å; W549-C552 PolarHBondContact O-N 3.06Å; W549-C552 VanDerWaalsContact O-N 3.17Å; W549-I553 WeakPolarHBondContact O-CG1 3.3Å; W549-I553 PolarHBondContact O-N 3.4Å; W549-L577 HydrophobicContact CH2-CD2 3.83Å; W549-L577 HydrophobicContact CH2-CG 3.88Å; W549-L577 HydrophobicContact CZ3-CD2 4Å; W549-L577 HydrophobicContact CZ3-CG 4.24Å; W549-V578 HydrophobicContact CZ3-CG2 3.96Å; W549-V581 HydrophobicContact CH2-CG2 4.28Å; W549-M592 HydrophobicContact CD2-CE 4.3Å; W549-M592 HydrophobicContact CE3-CE 4.29Å; W549-M592 HydrophobicContact CE3-SD 4.49Å; W549-M592 HydrophobicContact CH2-CE 3.62Å; W549-M592 HydrophobicContact CH2-SD 4.47Å; W549-M592 HydrophobicContact CZ2-CE 3.65Å; W549-M592 HydrophobicContact CZ3-CE 3.96Å; W549-M592 HydrophobicContact CZ3-SD 4.27Å; W549-Y595 VanDerWaalsContact C-OH 3.23Å; W549-Y595 WeakPolarHBondContact CA-OH 3.34Å; W549-Y595 VanDerWaalsContact CB-OH 3.27Å; W549-Y595 WeakPolarHBondContact CB-OH 3.49Å; W549-Y595 HydrophobicContact CE3-CE2 4.01Å; W549-Y595 AromaticContact CE3-CZ 3.81Å; W549-Y595 PolarHBondContact O-OH 2.75Å
550Q87.2Confident86Confident116 Ų11642.5 Ų42.554%0.54219%0.192SC..Hα-helixtrans-62.3-36.1176.2-72.5179.1-1400112N547 I553 S554N547-Q550 HydrophobicContact CB-CB 4.19Å; N547-Q550 HydrophobicContact CB-CG 4.14Å; N547-Q550 PolarHBondContact O-N 2.9Å; N547-Q550 PolarHBondContact OD1-N 2.79Å; Q550-I553 PolarHBondContact O-N 2.72Å; Q550-S554 PolarHBondContact O-N 3.38Å; Q550-S554 VanDerWaalsContact O-N 3.13Å
551F88.4Confident85.5Confident11 Ų1148 Ų485%0.04822%0.221CC..Hα-helixtrans-62-49.1172.6-168.3-84.3000111.3F449 P450 F453 F516 F517 L523 Y546 N547 G548 W549 I553 S554 E555F449-F551 HydrophobicContact CE1-CD1 4.08Å; F449-F551 HydrophobicContact CE1-CG 4.48Å; F449-F551 AromaticContact CZ-CD1 3.91Å; F449-F551 HydrophobicContact CZ-CD1 3.91Å; F449-F551 HydrophobicContact CZ-CE1 4.5Å; P450-F551 HydrophobicContact CB-CD1 3.96Å; P450-F551 HydrophobicContact CB-CE1 3.28Å; P450-F551 HydrophobicContact CB-CE2 4.05Å; P450-F551 HydrophobicContact CB-CZ 3.34Å; P450-F551 HydrophobicContact CG-CD2 4.42Å; P450-F551 HydrophobicContact CG-CE1 3.94Å; P450-F551 HydrophobicContact CG-CE2 3.73Å; P450-F551 HydrophobicContact CG-CZ 3.46Å; P450-F551 VanDerWaalsContact CG-CZ 3.46Å; F453-F551 HydrophobicContact CE2-CE1 4.2Å; F516-F551 HydrophobicContact CG-CE2 4.4Å; F517-F551 HydrophobicContact CZ-CE2 4.23Å; F517-F551 HydrophobicContact CZ-CZ 4.15Å; L523-F551 HydrophobicContact CD1-CD2 3.99Å; Y546-F551 HydrophobicContact CE2-CB 4.41Å; N547-F551 PolarHBondContact O-N 2.96Å; G548-F551 WeakPolarHBondContact O-CB 3.37Å; G548-F551 PolarHBondContact O-N 2.87Å; W549-F551 VanDerWaalsContact C-N 3.25Å; W549-F551 PolarHBondContact O-N 3.36Å; F551-I553 VanDerWaalsContact C-N 3.34Å; F551-I553 PolarHBondContact O-N 3.14Å; F551-S554 PolarHBondContact O-N 2.81Å; F551-S554 VanDerWaalsContact O-N 3.09Å; F551-S554 PolarHBondContact O-OG 3.17Å; F551-E555 HydrophobicContact CE1-CB 4.45Å; F551-E555 PolarHBondContact O-N 3.17Å
552C88Confident85.1Confident0 Ų052.8 Ų52.80%024%0.238CC..Hα-helixtrans-57.6-42.2177.3-72.20000113.1G548 W549 S554 E555 V556 I574 Y595G548-C552 PolarHBondContact O-N 2.94Å; G548-C552 PolarHBondContact O-SG 2.89Å; W549-C552 PolarHBondContact O-N 3.06Å; W549-C552 VanDerWaalsContact O-N 3.17Å; C552-S554 VanDerWaalsContact C-N 3.33Å; C552-S554 PolarHBondContact O-N 3.42Å; C552-E555 PolarHBondContact O-N 2.79Å; C552-V556 WeakPolarHBondContact O-CG2 3.39Å; C552-V556 PolarHBondContact O-N 2.98Å; C552-I574 HydrophobicContact CB-CD1 4.28Å; C552-I574 HydrophobicContact CB-CG1 4.3Å; C552-I574 HydrophobicContact CB-CG2 3.92Å; C552-Y595 HydrophobicContact CB-CE1 4.22Å
553I87.3Confident84.5Confident36 Ų3656.3 Ų56.319%0.18526%0.257CS..Hα-helixtrans-59.9-44.9175.1-70.4156.8000111W549 Q550 F551 E555 N557 L594 Y595 L598W549-I553 WeakPolarHBondContact O-CG1 3.3Å; W549-I553 PolarHBondContact O-N 3.4Å; Q550-I553 PolarHBondContact O-N 2.72Å; F551-I553 VanDerWaalsContact C-N 3.34Å; F551-I553 PolarHBondContact O-N 3.14Å; I553-E555 VanDerWaalsContact C-N 3.33Å; I553-N557 WeakPolarHBondContact O-CB 3.23Å; I553-N557 PolarHBondContact O-N 3.34Å; I553-N557 VanDerWaalsContact O-N 3.15Å; I553-N557 PolarHBondContact O-ND2 2.88Å; I553-L594 HydrophobicContact CD1-CD2 3.68Å; I553-L594 HydrophobicContact CG1-CD2 4.29Å; I553-L594 HydrophobicContact CG2-CD2 4.42Å; I553-Y595 HydrophobicContact CD1-CE2 4.23Å; I553-Y595 HydrophobicContact CG1-CD1 4.42Å; I553-Y595 HydrophobicContact CG1-CE1 3.68Å; I553-Y595 HydrophobicContact CG1-CE2 4.26Å; I553-L598 HydrophobicContact CB-CD1 4.47Å; I553-L598 HydrophobicContact CG1-CD1 4.25Å; I553-L598 HydrophobicContact CG2-CD1 4.03Å
554S83.4Confident84.2Confident29 Ų2954.2 Ų54.220%0.20325%0.252CS..Hα-helixtrans-65.7-37.5178.972.40000112.2F517 L523 Q550 F551 C552 N557 R558F517-S554 WeakPolarHBondContact CE2-OG 3.24Å; L523-S554 WeakPolarHBondContact CD1-OG 3.42Å; Q550-S554 PolarHBondContact O-N 3.38Å; Q550-S554 VanDerWaalsContact O-N 3.13Å; F551-S554 PolarHBondContact O-N 2.81Å; F551-S554 VanDerWaalsContact O-N 3.09Å; F551-S554 PolarHBondContact O-OG 3.17Å; C552-S554 VanDerWaalsContact C-N 3.33Å; C552-S554 PolarHBondContact O-N 3.42Å; S554-N557 PolarHBondContact O-N 3.4Å; S554-R558 WeakPolarHBondContact O-CB 3.23Å; S554-R558 PolarHBondContact O-N 3.42Å
555E84.4Confident83.8Confident5 Ų558 Ų582%0.02328%0.279CS..Hα-helixtrans-69.6-42.5179.1-174.968.5174.400111.8F453 F551 C552 I553 N557 R558 L559 R570F453-E555 HydrophobicContact CE2-CG 3.96Å; F453-E555 HydrophobicContact CZ-CG 4.03Å; F551-E555 HydrophobicContact CE1-CB 4.45Å; F551-E555 PolarHBondContact O-N 3.17Å; C552-E555 PolarHBondContact O-N 2.79Å; I553-E555 VanDerWaalsContact C-N 3.33Å; E555-N557 VanDerWaalsContact C-N 3.32Å; E555-N557 PolarHBondContact O-N 3.45Å; E555-R558 VanDerWaalsContact CD-NH2 3.3Å; E555-R558 PolarHBondContact O-N 3.42Å; E555-R558 IonicContact OE1-CZ 3.28Å; E555-R558 IonicContact OE1-NE 2.85Å; E555-R558 IonicContact OE1-NH2 3.86Å; E555-R558 PolarHBondContact OE1-NH2 3.12Å; E555-R558 IonicContact OE2-CZ 3.04Å; E555-R558 IonicContact OE2-NE 3.56Å; E555-R558 PolarHBondContact OE2-NE 3.16Å; E555-R558 IonicContact OE2-NH2 3.44Å; E555-R558 PolarHBondContact OE2-NH2 2.68Å; E555-L559 HydrophobicContact CG-CD1 3.98Å; E555-L559 HydrophobicContact CG-CG 4.48Å; E555-L559 WeakPolarHBondContact O-CB 3.34Å; E555-L559 WeakPolarHBondContact O-CG 2.97Å; E555-L559 PolarHBondContact O-N 2.9Å; E555-R570 IonicContact OE1-NH1 3.19Å; E555-R570 PolarHBondContact OE1-NH1 3.21Å
556V84.4Confident83.6Confident1 Ų157.3 Ų57.31%0.00628%0.277CS..Hα-helixtrans-60.8-43174.41740000111C552 L559 R560 I574 F575 L598 T602C552-V556 WeakPolarHBondContact O-CG2 3.39Å; C552-V556 PolarHBondContact O-N 2.98Å; V556-L559 CarbonylContact O-C 3.59Å; V556-L559 PolarHBondContact O-N 3.2Å; V556-R560 WeakPolarHBondContact O-CA 3.47Å; V556-R560 PolarHBondContact O-N 3.31Å; V556-I574 HydrophobicContact CG2-CD1 3.48Å; V556-I574 VanDerWaalsContact CG2-CD1 3.48Å; V556-I574 HydrophobicContact CG2-CG2 4.24Å; V556-F575 HydrophobicContact CG1-CZ 4.04Å; V556-F575 HydrophobicContact CG2-CZ 4.32Å; V556-L598 HydrophobicContact CG1-CB 4.35Å; V556-T602 HydrophobicContact CG1-CG2 3.81Å
557N84.7Confident83.3Confident75 Ų7556.5 Ų56.540%0.40128%0.276SS..Hα-helixtrans-65.5-39.1177.5-78-47.9000112.3I553 S554 E555 R560 L598I553-N557 WeakPolarHBondContact O-CB 3.23Å; I553-N557 PolarHBondContact O-N 3.34Å; I553-N557 VanDerWaalsContact O-N 3.15Å; I553-N557 PolarHBondContact O-ND2 2.88Å; S554-N557 PolarHBondContact O-N 3.4Å; E555-N557 VanDerWaalsContact C-N 3.32Å; E555-N557 PolarHBondContact O-N 3.45Å; N557-R560 VanDerWaalsContact O-CB 3.29Å; N557-R560 WeakPolarHBondContact O-CB 3.35Å; N557-R560 PolarHBondContact O-N 3.26Å; N557-L598 WeakPolarHBondContact OD1-CD2 3.48Å
558R81.8Confident83.1Confident98 Ų9855.6 Ų55.637%0.3727%0.271SS..Hα-helixtrans-65.9-41.9175.4-173.4-171.37283-2.8112.1F517 S554 E555 R560F517-R558 VanDerWaalsContact CD1-CD 3.49Å; F517-R558 VanDerWaalsContact CE1-CD 3.49Å; S554-R558 WeakPolarHBondContact O-CB 3.23Å; S554-R558 PolarHBondContact O-N 3.42Å; E555-R558 VanDerWaalsContact CD-NH2 3.3Å; E555-R558 PolarHBondContact O-N 3.42Å; E555-R558 IonicContact OE1-CZ 3.28Å; E555-R558 IonicContact OE1-NE 2.85Å; E555-R558 IonicContact OE1-NH2 3.86Å; E555-R558 PolarHBondContact OE1-NH2 3.12Å; E555-R558 IonicContact OE2-CZ 3.04Å; E555-R558 IonicContact OE2-NE 3.56Å; E555-R558 PolarHBondContact OE2-NE 3.16Å; E555-R558 IonicContact OE2-NH2 3.44Å; E555-R558 PolarHBondContact OE2-NH2 2.68Å; R558-R560 VanDerWaalsContact C-N 3.26Å; R558-R560 PolarHBondContact O-N 2.78Å
559L83.1Confident82.8Confident5 Ų557.9 Ų57.93%0.02629%0.29CS..THydrogen-bonded Turntrans-82.8-0.5-179.2-67.7178.3000113.2E555 V556 D561 R562 A567 R570 K571E555-L559 HydrophobicContact CG-CD1 3.98Å; E555-L559 HydrophobicContact CG-CG 4.48Å; E555-L559 WeakPolarHBondContact O-CB 3.34Å; E555-L559 WeakPolarHBondContact O-CG 2.97Å; E555-L559 PolarHBondContact O-N 2.9Å; V556-L559 CarbonylContact O-C 3.59Å; V556-L559 PolarHBondContact O-N 3.2Å; L559-D561 VanDerWaalsContact C-N 3.31Å; L559-D561 PolarHBondContact O-N 2.91Å; L559-D561 VanDerWaalsContact O-N 3.15Å; L559-R562 PolarHBondContact O-N 2.98Å; L559-A567 HydrophobicContact CD1-CB 4.29Å; L559-A567 HydrophobicContact CD2-CB 3.88Å; L559-A567 HydrophobicContact CG-CB 4.49Å; L559-R570 HydrophobicContact CD1-CB 3.96Å; L559-K571 WeakPolarHBondContact O-CE 3.31Å; L559-K571 PolarHBondContact O-NZ 2.96Å
560R75.4Confident82.7Confident121 Ų12160.4 Ų60.446%0.45730%0.299SS..THydrogen-bonded Turntrans-46.2-53-170.3-171.8-175.167.9-158.1-6.7112.6V556 N557 R558 K571V556-R560 WeakPolarHBondContact O-CA 3.47Å; V556-R560 PolarHBondContact O-N 3.31Å; N557-R560 VanDerWaalsContact O-CB 3.29Å; N557-R560 WeakPolarHBondContact O-CB 3.35Å; N557-R560 PolarHBondContact O-N 3.26Å; R558-R560 VanDerWaalsContact C-N 3.26Å; R558-R560 PolarHBondContact O-N 2.78Å; R560-K571 PolarHBondContact O-NZ 3.18Å; R560-K571 VanDerWaalsContact O-NZ 3.13Å
561D75.8Confident82.7Confident117 Ų11754.9 Ų54.963%0.62627%0.273SS*.THydrogen-bonded Turntrans-90.2-4.1-173.7-51.4-24000113L559L559-D561 VanDerWaalsContact C-N 3.31Å; L559-D561 PolarHBondContact O-N 2.91Å; L559-D561 VanDerWaalsContact O-N 3.15Å
562R79.3Confident82.6Confident133 Ų13355.2 Ų55.250%0.50228%0.276SS..  trans-94125.7179.2-62-172.677.2166.91.9111.1L559 D564 A567 K571L559-R562 PolarHBondContact O-N 2.98Å; R562-D564 IonicContact CZ-OD2 3.37Å; R562-D564 IonicContact NE-OD2 3.19Å; R562-D564 PolarHBondContact NE-OD2 3.17Å; R562-D564 IonicContact NH2-OD2 2.89Å; R562-D564 PolarHBondContact NH2-OD2 2.74Å; R562-A567 HydrophobicContact CB-CB 4.19Å; R562-K571 PolarHBondContact O-NZ 3.45Å
563N73.5Confident82.6Confident77 Ų7755.7 Ų55.741%0.41228%0.28SS..  trans-115.820.7-178.9-63-22.3000112.7Y606N563-Y606 HydrophobicContact CB-CE1 4.2Å; N563-Y606 VanDerWaalsContact CG-CZ 3.48Å; N563-Y606 VanDerWaalsContact OD1-CE2 3.23Å; N563-Y606 WeakPolarHBondContact OD1-CE2 3.39Å; N563-Y606 PolarHBondContact OD1-OH 3.48Å
564D81.2Confident82.7Confident76 Ų7654 Ų5441%0.40627%0.271SS..  trans-61.3143.4172.2-55.1-36.6000109.3R562 E566 A567 V568R562-D564 IonicContact CZ-OD2 3.37Å; R562-D564 IonicContact NE-OD2 3.19Å; R562-D564 PolarHBondContact NE-OD2 3.17Å; R562-D564 IonicContact NH2-OD2 2.89Å; R562-D564 PolarHBondContact NH2-OD2 2.74Å; D564-E566 PolarHBondContact O-N 2.76Å; D564-E566 VanDerWaalsContact O-N 3.09Å; D564-A567 HydrophobicContact CB-CB 4.33Å; D564-A567 WeakPolarHBondContact O-CA 3.24Å; D564-A567 WeakPolarHBondContact O-CB 3.22Å; D564-A567 PolarHBondContact O-N 2.84Å; D564-V568 VanDerWaalsContact O-CG2 3.29Å; D564-V568 WeakPolarHBondContact O-CG2 3.5Å; D564-V568 PolarHBondContact O-N 2.98Å
565P79Confident83Confident114 Ų11452.7 Ų52.774%0.7426%0.262SS*.Hα-helixtrans-56.4-33.7-174.322.5-33.9000112.8V568 A569P565-V568 PolarHBondContact O-N 3.47Å; P565-A569 WeakPolarHBondContact O-CB 3.41Å; P565-A569 PolarHBondContact O-N 3.14Å
566E82Confident83.3Confident120 Ų12056.1 Ų56.156%0.56127%0.274SS*.Hα-helixtrans-66.9-43.1174-164.9-168.2158.400112.1D564 V568 A569 R570D564-E566 PolarHBondContact O-N 2.76Å; D564-E566 VanDerWaalsContact O-N 3.09Å; E566-V568 VanDerWaalsContact C-N 3.29Å; E566-V568 PolarHBondContact O-N 3.25Å; E566-A569 PolarHBondContact O-N 3.17Å; E566-R570 WeakPolarHBondContact O-CG 3.31Å; E566-R570 PolarHBondContact O-N 3.35Å; E566-R570 IonicContact OE1-CZ 3.37Å; E566-R570 IonicContact OE1-NE 2.7Å; E566-R570 PolarHBondContact OE1-NE 2.9Å; E566-R570 IonicContact OE1-NH2 2.64Å; E566-R570 PolarHBondContact OE1-NH2 3.4Å
567A83.6Confident83.6Confident6 Ų656.1 Ų56.15%0.0527%0.274CS..Hα-helixtrans-63.2-38.3175.200000111.2L559 R562 D564 R570 K571L559-A567 HydrophobicContact CD1-CB 4.29Å; L559-A567 HydrophobicContact CD2-CB 3.88Å; L559-A567 HydrophobicContact CG-CB 4.49Å; R562-A567 HydrophobicContact CB-CB 4.19Å; D564-A567 HydrophobicContact CB-CB 4.33Å; D564-A567 WeakPolarHBondContact O-CA 3.24Å; D564-A567 WeakPolarHBondContact O-CB 3.22Å; D564-A567 PolarHBondContact O-N 2.84Å; A567-R570 PolarHBondContact O-N 2.9Å; A567-K571 VanDerWaalsContact O-CG 3.28Å; A567-K571 WeakPolarHBondContact O-CG 3.17Å; A567-K571 PolarHBondContact O-N 2.95Å
568V83.5Confident83.9Confident15 Ų1552.5 Ų52.59%0.09126%0.255CS..Hα-helixtrans-64.9-45.8174.6-170.20000110.8D564 P565 E566 R570 K571 I572 Y606 F613D564-V568 VanDerWaalsContact O-CG2 3.29Å; D564-V568 WeakPolarHBondContact O-CG2 3.5Å; D564-V568 PolarHBondContact O-N 2.98Å; P565-V568 PolarHBondContact O-N 3.47Å; E566-V568 VanDerWaalsContact C-N 3.29Å; E566-V568 PolarHBondContact O-N 3.25Å; V568-R570 VanDerWaalsContact C-N 3.33Å; V568-R570 PolarHBondContact O-N 3.41Å; V568-K571 PolarHBondContact O-N 3.48Å; V568-I572 HydrophobicContact CG1-CD1 3.84Å; V568-I572 HydrophobicContact CG1-CG1 4.32Å; V568-I572 VanDerWaalsContact O-CG1 3.29Å; V568-I572 WeakPolarHBondContact O-CG1 3.39Å; V568-I572 PolarHBondContact O-N 2.89Å; V568-Y606 WeakPolarHBondContact CG2-OH 3.41Å; V568-F613 HydrophobicContact CG1-CB 4.08Å; V568-F613 HydrophobicContact CG1-CD2 3.7Å; V568-F613 HydrophobicContact CG1-CE2 4.45Å; V568-F613 HydrophobicContact CG1-CG 4.12Å
569A84.1Confident84.3Confident47 Ų4748.6 Ų48.639%0.38824%0.24SC..Hα-helixtrans-60.1-4217800000112P565 E566 I572 A573P565-A569 WeakPolarHBondContact O-CB 3.41Å; P565-A569 PolarHBondContact O-N 3.14Å; E566-A569 PolarHBondContact O-N 3.17Å; A569-I572 PolarHBondContact O-N 3.16Å; A569-A573 PolarHBondContact O-N 3.01Å
570R86.7Confident84.5Confident66 Ų6650.1 Ų50.125%0.24925%0.247CC..Hα-helixtrans-62.4-46.6174.1-68.1-178.7-170.7-152.9-0.6111.8F453 E555 L559 E566 A567 V568 I572 A573 I574F453-R570 HydrophobicContact CB-CG 4.43Å; F453-R570 HydrophobicContact CD1-CB 3.76Å; F453-R570 HydrophobicContact CD1-CG 3.57Å; F453-R570 HydrophobicContact CE1-CB 3.72Å; F453-R570 HydrophobicContact CE1-CG 4.06Å; F453-R570 HydrophobicContact CG-CG 4.06Å; E555-R570 IonicContact OE1-NH1 3.19Å; E555-R570 PolarHBondContact OE1-NH1 3.21Å; L559-R570 HydrophobicContact CD1-CB 3.96Å; E566-R570 WeakPolarHBondContact O-CG 3.31Å; E566-R570 PolarHBondContact O-N 3.35Å; E566-R570 IonicContact OE1-CZ 3.37Å; E566-R570 IonicContact OE1-NE 2.7Å; E566-R570 PolarHBondContact OE1-NE 2.9Å; E566-R570 IonicContact OE1-NH2 2.64Å; E566-R570 PolarHBondContact OE1-NH2 3.4Å; A567-R570 PolarHBondContact O-N 2.9Å; V568-R570 VanDerWaalsContact C-N 3.33Å; V568-R570 PolarHBondContact O-N 3.41Å; R570-I572 PolarHBondContact O-N 2.91Å; R570-A573 PolarHBondContact O-N 3.17Å; R570-I574 WeakPolarHBondContact O-CG1 3.49Å; R570-I574 PolarHBondContact O-N 2.73Å
571K87.3Confident85.1Confident0 Ų044.3 Ų44.30%023%0.226CC..Hα-helixtrans-57.4-47.6174.8-71.2169.8-176176.10110.9L559 R560 R562 A567 V568 A573 I574 F575 F613L559-K571 WeakPolarHBondContact O-CE 3.31Å; L559-K571 PolarHBondContact O-NZ 2.96Å; R560-K571 PolarHBondContact O-NZ 3.18Å; R560-K571 VanDerWaalsContact O-NZ 3.13Å; R562-K571 PolarHBondContact O-NZ 3.45Å; A567-K571 VanDerWaalsContact O-CG 3.28Å; A567-K571 WeakPolarHBondContact O-CG 3.17Å; A567-K571 PolarHBondContact O-N 2.95Å; V568-K571 PolarHBondContact O-N 3.48Å; K571-A573 PolarHBondContact O-N 3.12Å; K571-I574 PolarHBondContact O-N 3.31Å; K571-F575 HydrophobicContact CB-CD2 4.41Å; K571-F575 HydrophobicContact CB-CE2 4.34Å; K571-F575 WeakPolarHBondContact O-CD2 3.44Å; K571-F575 PolarHBondContact O-N 2.95Å; K571-F575 VanDerWaalsContact O-N 3.09Å; K571-F613 HydrophobicContact CB-CE2 4.19Å; K571-F613 HydrophobicContact CD-CE2 4.48Å
572I86.7Confident85.5Confident18 Ų1839.2 Ų39.29%0.09220%0.198CC..Hα-helixtrans-58.6-46.9178.7-70.5168.6000111.1V568 A569 R570 I574 F575 R576 V612 F613 E616V568-I572 HydrophobicContact CG1-CD1 3.84Å; V568-I572 HydrophobicContact CG1-CG1 4.32Å; V568-I572 VanDerWaalsContact O-CG1 3.29Å; V568-I572 WeakPolarHBondContact O-CG1 3.39Å; V568-I572 PolarHBondContact O-N 2.89Å; A569-I572 PolarHBondContact O-N 3.16Å; R570-I572 PolarHBondContact O-N 2.91Å; I572-I574 VanDerWaalsContact C-N 3.32Å; I572-I574 PolarHBondContact O-N 3.17Å; I572-F575 PolarHBondContact O-N 3.36Å; I572-R576 WeakPolarHBondContact O-CB 3.41Å; I572-R576 PolarHBondContact O-N 2.9Å; I572-V612 HydrophobicContact CD1-CG1 4.24Å; I572-F613 HydrophobicContact CD1-CB 4.24Å; I572-F613 HydrophobicContact CD1-CD2 4.27Å; I572-F613 HydrophobicContact CG1-CD2 3.79Å; I572-E616 HydrophobicContact CG2-CG 4Å
573A86.8Confident85.8Confident10 Ų1037.8 Ų37.88%0.08320%0.197CC..Hα-helixtrans-59.3-41.6-179.100000112.4L457 A569 R570 K571 L577L457-A573 HydrophobicContact CB-CB 4.12Å; L457-A573 HydrophobicContact CD1-CB 3.86Å; A569-A573 PolarHBondContact O-N 3.01Å; R570-A573 PolarHBondContact O-N 3.17Å; K571-A573 PolarHBondContact O-N 3.12Å; A573-L577 PolarHBondContact O-N 3.42Å; A573-L577 VanDerWaalsContact O-N 3.15Å
574I90.5Very high86.1Confident2 Ų235.7 Ų35.71%0.0119%0.188CC..Hα-helixtrans-64.4-52.4177.2-61.3165.8000110.6F453 L457 C552 V556 R570 K571 I572 R576 L577 V578 Y595F453-I574 HydrophobicContact CE1-CD1 3.97Å; F453-I574 HydrophobicContact CE1-CG1 3.76Å; F453-I574 HydrophobicContact CZ-CD1 3.63Å; F453-I574 HydrophobicContact CZ-CG1 3.69Å; L457-I574 HydrophobicContact CD1-CG1 4.03Å; C552-I574 HydrophobicContact CB-CD1 4.28Å; C552-I574 HydrophobicContact CB-CG1 4.3Å; C552-I574 HydrophobicContact CB-CG2 3.92Å; V556-I574 HydrophobicContact CG2-CD1 3.48Å; V556-I574 VanDerWaalsContact CG2-CD1 3.48Å; V556-I574 HydrophobicContact CG2-CG2 4.24Å; R570-I574 WeakPolarHBondContact O-CG1 3.49Å; R570-I574 PolarHBondContact O-N 2.73Å; K571-I574 PolarHBondContact O-N 3.31Å; I572-I574 VanDerWaalsContact C-N 3.32Å; I572-I574 PolarHBondContact O-N 3.17Å; I574-R576 VanDerWaalsContact C-N 3.28Å; I574-R576 PolarHBondContact O-N 3.03Å; I574-L577 PolarHBondContact O-N 2.71Å; I574-V578 WeakPolarHBondContact O-CG2 3.49Å; I574-V578 PolarHBondContact O-N 3.29Å; I574-Y595 HydrophobicContact CG2-CD1 4.34Å; I574-Y595 HydrophobicContact CG2-CE1 4.1Å
575F90.2Very high86.3Confident1 Ų133.8 Ų33.80%0.00418%0.177CC..Hα-helixtrans-69.6-28.1-175.8-69.3-56.1000112.7V556 K571 I572 R579 S599 M617 L620V556-F575 HydrophobicContact CG1-CZ 4.04Å; V556-F575 HydrophobicContact CG2-CZ 4.32Å; K571-F575 HydrophobicContact CB-CD2 4.41Å; K571-F575 HydrophobicContact CB-CE2 4.34Å; K571-F575 WeakPolarHBondContact O-CD2 3.44Å; K571-F575 PolarHBondContact O-N 2.95Å; K571-F575 VanDerWaalsContact O-N 3.09Å; I572-F575 PolarHBondContact O-N 3.36Å; F575-R579 WeakPolarHBondContact O-CB 3.23Å; F575-R579 PolarHBondContact O-N 3.45Å; F575-S599 VanDerWaalsContact CE1-CB 3.48Å; F575-M617 HydrophobicContact CB-CE 4.06Å; F575-M617 HydrophobicContact CD2-CE 3.07Å; F575-M617 HydrophobicContact CD2-SD 3.99Å; F575-M617 HydrophobicContact CE2-CE 3.6Å; F575-M617 HydrophobicContact CE2-SD 4.24Å; F575-M617 HydrophobicContact CG-CE 3.77Å; F575-M617 HydrophobicContact CG-SD 4.34Å; F575-L620 HydrophobicContact CB-CD2 4.15Å; F575-L620 HydrophobicContact CD1-CD2 3.67Å; F575-L620 HydrophobicContact CE1-CD2 4.43Å; F575-L620 HydrophobicContact CG-CD2 4.17Å
576R89.8Confident86.3Confident76 Ų7630.4 Ų30.429%0.28716%0.158SC..Hα-helixtrans-64.1-46.6170.4-175.7177.9-65.7169-1.3111.4I572 I574 V578 R579 Q580 E616I572-R576 WeakPolarHBondContact O-CB 3.41Å; I572-R576 PolarHBondContact O-N 2.9Å; I574-R576 VanDerWaalsContact C-N 3.28Å; I574-R576 PolarHBondContact O-N 3.03Å; R576-V578 PolarHBondContact O-N 3.41Å; R576-R579 WeakPolarHBondContact O-CB 3.38Å; R576-R579 PolarHBondContact O-N 3.28Å; R576-Q580 WeakPolarHBondContact O-CG 3.15Å; R576-Q580 PolarHBondContact O-N 3.48Å; R576-E616 IonicContact CZ-OE2 2.76Å; R576-E616 IonicContact NE-OE2 3.89Å; R576-E616 PolarHBondContact NE-OE2 2.79Å; R576-E616 IonicContact NH2-OE2 2.97Å
577L90.4Very high86.4Confident1 Ų131 Ų311%0.00517%0.166CC..Hα-helixtrans-59.5-46.9176.2-179.563.5000111.3L457 L460 S461 A464 V474 F478 W549 A573 I574 R579 Q580 V581L457-L577 HydrophobicContact CD2-CD2 3.76Å; L460-L577 HydrophobicContact CB-CD1 3.86Å; L460-L577 HydrophobicContact CB-CD2 4.5Å; S461-L577 WeakPolarHBondContact OG-CA 3.47Å; S461-L577 WeakPolarHBondContact OG-CB 3.45Å; S461-L577 PolarHBondContact OG-N 3.33Å; A464-L577 HydrophobicContact CB-CD1 4.49Å; V474-L577 HydrophobicContact CG1-CD1 4.18Å; F478-L577 HydrophobicContact CE1-CD2 4.45Å; W549-L577 HydrophobicContact CH2-CD2 3.83Å; W549-L577 HydrophobicContact CH2-CG 3.88Å; W549-L577 HydrophobicContact CZ3-CD2 4Å; W549-L577 HydrophobicContact CZ3-CG 4.24Å; A573-L577 PolarHBondContact O-N 3.42Å; A573-L577 VanDerWaalsContact O-N 3.15Å; I574-L577 PolarHBondContact O-N 2.71Å; L577-R579 VanDerWaalsContact C-N 3.31Å; L577-R579 PolarHBondContact O-N 3.42Å; L577-Q580 PolarHBondContact O-N 3.34Å; L577-V581 HydrophobicContact CD1-CG2 4.43Å; L577-V581 WeakPolarHBondContact O-CG2 3.46Å; L577-V581 PolarHBondContact O-N 3.42Å; L577-V581 VanDerWaalsContact O-N 3.09Å
578V90.6Very high86.4Confident0 Ų031.8 Ų31.80%017%0.169CC..Hα-helixtrans-59.3-43.1177176.50000111W549 I574 R576 L582 M592 Y595 L620 F624W549-V578 HydrophobicContact CZ3-CG2 3.96Å; I574-V578 WeakPolarHBondContact O-CG2 3.49Å; I574-V578 PolarHBondContact O-N 3.29Å; R576-V578 PolarHBondContact O-N 3.41Å; V578-L582 HydrophobicContact CG1-CD1 3.8Å; V578-L582 WeakPolarHBondContact O-CG 3.19Å; V578-L582 PolarHBondContact O-N 3.18Å; V578-L582 VanDerWaalsContact O-N 3.12Å; V578-M592 HydrophobicContact CG1-CB 4.27Å; V578-M592 HydrophobicContact CG1-CG 4.42Å; V578-M592 HydrophobicContact CG1-SD 4.19Å; V578-M592 HydrophobicContact CG2-SD 4.47Å; V578-Y595 HydrophobicContact CG1-CG 4.4Å; V578-Y595 HydrophobicContact CG2-CD1 3.88Å; V578-Y595 HydrophobicContact CG2-CD2 4.1Å; V578-Y595 HydrophobicContact CG2-CE1 4.27Å; V578-Y595 HydrophobicContact CG2-CE2 4.48Å; V578-Y595 HydrophobicContact CG2-CG 3.78Å; V578-L620 HydrophobicContact CB-CD1 4.31Å; V578-L620 HydrophobicContact CG1-CD1 3.95Å; V578-F624 HydrophobicContact CG1-CZ 4.45Å
579R90.5Very high86.3Confident15 Ų1531.7 Ų31.76%0.05717%0.168CC..Hα-helixtrans-60.6-49.9177.2-174.7-169.569-149.93.2111.7F575 R576 L577 V581 L582 Q583 E616 L620 A623F575-R579 WeakPolarHBondContact O-CB 3.23Å; F575-R579 PolarHBondContact O-N 3.45Å; R576-R579 WeakPolarHBondContact O-CB 3.38Å; R576-R579 PolarHBondContact O-N 3.28Å; L577-R579 VanDerWaalsContact C-N 3.31Å; L577-R579 PolarHBondContact O-N 3.42Å; R579-V581 VanDerWaalsContact C-N 3.33Å; R579-V581 PolarHBondContact O-N 3.07Å; R579-L582 PolarHBondContact O-N 3.29Å; R579-Q583 HydrophobicContact CG-CG 4.18Å; R579-Q583 WeakPolarHBondContact O-CG 3.38Å; R579-Q583 PolarHBondContact O-N 3.28Å; R579-E616 IonicContact CZ-OE1 3.9Å; R579-E616 IonicContact CZ-OE2 3.62Å; R579-E616 IonicContact NH1-OE1 2.65Å; R579-E616 PolarHBondContact NH1-OE1 3.39Å; R579-E616 IonicContact NH1-OE2 4Å; R579-E616 PolarHBondContact NH1-OE2 3.3Å; R579-E616 IonicContact NH2-OE1 2.75Å; R579-E616 IonicContact NH2-OE2 3.3Å; R579-L620 HydrophobicContact CB-CD1 3.89Å; R579-A623 HydrophobicContact CG-CB 4.37Å
580Q87.6Confident86.2Confident37 Ų3736 Ų3617%0.17318%0.184CC..Hα-helixtrans-62.3-41.9-176.6-65.8-61.3-200111.4A464 R576 L577 L582 Q583 S584A464-Q580 HydrophobicContact CB-CB 4.15Å; R576-Q580 WeakPolarHBondContact O-CG 3.15Å; R576-Q580 PolarHBondContact O-N 3.48Å; L577-Q580 PolarHBondContact O-N 3.34Å; Q580-L582 VanDerWaalsContact C-N 3.33Å; Q580-L582 PolarHBondContact O-N 3.18Å; Q580-Q583 PolarHBondContact O-N 3.1Å; Q580-S584 PolarHBondContact O-N 3.37Å; Q580-S584 VanDerWaalsContact O-N 3.16Å; Q580-S584 PolarHBondContact O-OG 2.86Å
581V87.3Confident86Confident0 Ų041.6 Ų41.60%021%0.205CC..Hα-helixtrans-61.6-40.8175.9174.90000111.8A464 W549 L577 R579 E585 L588 M592A464-V581 HydrophobicContact CB-CG2 3.85Å; W549-V581 HydrophobicContact CH2-CG2 4.28Å; L577-V581 HydrophobicContact CD1-CG2 4.43Å; L577-V581 WeakPolarHBondContact O-CG2 3.46Å; L577-V581 PolarHBondContact O-N 3.42Å; L577-V581 VanDerWaalsContact O-N 3.09Å; R579-V581 VanDerWaalsContact C-N 3.33Å; R579-V581 PolarHBondContact O-N 3.07Å; V581-E585 PolarHBondContact O-N 2.59Å; V581-L588 HydrophobicContact CG1-CD1 3.65Å; V581-M592 HydrophobicContact CG1-CE 4.07Å
582L85.9Confident85.9Confident9 Ų941.7 Ų41.75%0.04721%0.206CC..Hα-helixtrans-73.5-32.9179.6-74.2168.4000114.3V578 R579 Q580 I589 M592 L620 F624V578-L582 HydrophobicContact CG1-CD1 3.8Å; V578-L582 WeakPolarHBondContact O-CG 3.19Å; V578-L582 PolarHBondContact O-N 3.18Å; V578-L582 VanDerWaalsContact O-N 3.12Å; R579-L582 PolarHBondContact O-N 3.29Å; Q580-L582 VanDerWaalsContact C-N 3.33Å; Q580-L582 PolarHBondContact O-N 3.18Å; L582-I589 HydrophobicContact CD2-CB 4.22Å; L582-I589 HydrophobicContact CD2-CG1 4.36Å; L582-M592 HydrophobicContact CD1-CB 4.1Å; L582-M592 HydrophobicContact CD2-CB 3.9Å; L582-M592 HydrophobicContact CD2-CG 4.05Å; L582-M592 HydrophobicContact CG-CB 4.2Å; L582-M592 HydrophobicContact CG-CG 4.23Å; L582-L620 HydrophobicContact CD1-CD1 4.44Å; L582-F624 HydrophobicContact CD1-CD1 4.21Å; L582-F624 HydrophobicContact CD1-CD2 4.01Å; L582-F624 HydrophobicContact CD1-CE1 3.63Å; L582-F624 HydrophobicContact CD1-CE2 3.4Å; L582-F624 HydrophobicContact CD1-CG 4.39Å; L582-F624 HydrophobicContact CD1-CZ 3.18Å; L582-F624 HydrophobicContact CD2-CE1 4.43Å
583Q83.7Confident85.8Confident104 Ų10443.8 Ų43.849%0.48621%0.213SC..Hα-helixtrans-68.2-39.7177.1-76.7-178.9-48.900110.9R579 Q580 A623R579-Q583 HydrophobicContact CG-CG 4.18Å; R579-Q583 WeakPolarHBondContact O-CG 3.38Å; R579-Q583 PolarHBondContact O-N 3.28Å; Q580-Q583 PolarHBondContact O-N 3.1Å; Q583-A623 HydrophobicContact CG-CB 4.12Å
584S81.7Confident85.7Confident32 Ų3247.5 Ų47.522%0.22423%0.231CC..Hα-helixtrans-77.7-41.1177.9-56.20000112.7A464 Q580A464-S584 WeakPolarHBondContact O-CB 3.32Å; A464-S584 PolarHBondContact O-OG 2.96Å; Q580-S584 PolarHBondContact O-N 3.37Å; Q580-S584 VanDerWaalsContact O-N 3.16Å; Q580-S584 PolarHBondContact O-OG 2.86Å
585E84.1Confident85.5Confident37 Ų3747.6 Ų47.617%0.17323%0.231CC..  trans-129.4104.9-175.6-87.2-72.4-178.100113.3A468 A471 V472 V581 N587 L588A468-E585 HydrophobicContact CB-CG 3.92Å; A468-E585 WeakPolarHBondContact CB-OE1 3.49Å; A468-E585 VanDerWaalsContact O-CG 3.29Å; A468-E585 WeakPolarHBondContact O-CG 3.31Å; A471-E585 HydrophobicContact CB-CB 4.45Å; A471-E585 HydrophobicContact CB-CG 4.26Å; V472-E585 HydrophobicContact CG2-CG 3.83Å; V581-E585 PolarHBondContact O-N 2.59Å; E585-N587 VanDerWaalsContact C-N 3.31Å; E585-N587 PolarHBondContact O-N 3.03Å; E585-N587 PolarHBondContact OE2-ND2 3.36Å; E585-L588 HydrophobicContact CB-CD1 4.16Å; E585-L588 HydrophobicContact CB-CG 4.42Å
586A79.9Confident85.1Confident42 Ų4247.6 Ų47.635%0.34723%0.231SC..G310 helixtrans-63.9-34179.900000113.5L588 I589 Q627A586-L588 PolarHBondContact O-N 3.31Å; A586-L588 VanDerWaalsContact O-N 3.17Å; A586-I589 PolarHBondContact O-N 3.12Å; A586-Q627 PolarHBondContact O-OE1 3.13Å; A586-Q627 VanDerWaalsContact O-OE1 3.05Å
587N83.7Confident84.8Confident134 Ų13445 Ų4572%0.71723%0.225SC*.G310 helixtrans-69.1-16.8-170.4-62.5-48.1000113.9E585 I589E585-N587 VanDerWaalsContact C-N 3.31Å; E585-N587 PolarHBondContact O-N 3.03Å; E585-N587 PolarHBondContact OE2-ND2 3.36Å; N587-I589 VanDerWaalsContact C-N 3.26Å; N587-I589 PolarHBondContact O-N 2.97Å
588L82.6Confident84.5Confident21 Ų2145.9 Ų45.911%0.1123%0.229CC..G310 helixtrans-85.35.4-179-63.4175.8000113.4F475 V581 E585 A586 D590 W591 M592F475-L588 HydrophobicContact CB-CD1 4.07Å; F475-L588 HydrophobicContact CD1-CD1 4.36Å; F475-L588 HydrophobicContact CD1-CD2 4.19Å; F475-L588 HydrophobicContact CD2-CD1 4.25Å; F475-L588 HydrophobicContact CE1-CD2 4.14Å; F475-L588 HydrophobicContact CG-CD1 3.96Å; F475-L588 HydrophobicContact CZ-CD2 4.43Å; V581-L588 HydrophobicContact CG1-CD1 3.65Å; E585-L588 HydrophobicContact CB-CD1 4.16Å; E585-L588 HydrophobicContact CB-CG 4.42Å; A586-L588 PolarHBondContact O-N 3.31Å; A586-L588 VanDerWaalsContact O-N 3.17Å; L588-D590 VanDerWaalsContact C-N 3.3Å; L588-D590 PolarHBondContact O-N 3.34Å; L588-W591 PolarHBondContact O-N 3.03Å; L588-M592 WeakPolarHBondContact O-CG 3.45Å; L588-M592 PolarHBondContact O-N 3.12Å; L588-M592 VanDerWaalsContact O-N 3.16Å
589I82.2Confident84.1Confident14 Ų1445.9 Ų45.97%0.07223%0.229CC..Hα-helixtrans-57.7-38.6-174.9-164.1160.6000113.6L582 A586 N587 W591 M592 Y593 F624 Q627 C628L582-I589 HydrophobicContact CD2-CB 4.22Å; L582-I589 HydrophobicContact CD2-CG1 4.36Å; A586-I589 PolarHBondContact O-N 3.12Å; N587-I589 VanDerWaalsContact C-N 3.26Å; N587-I589 PolarHBondContact O-N 2.97Å; I589-W591 VanDerWaalsContact C-N 3.34Å; I589-W591 PolarHBondContact O-N 2.97Å; I589-M592 CarbonylContact O-C 3.28Å; I589-M592 PolarHBondContact O-N 3.07Å; I589-M592 VanDerWaalsContact O-N 3.15Å; I589-Y593 PolarHBondContact O-N 2.88Å; I589-F624 HydrophobicContact CD1-CD1 3.97Å; I589-F624 HydrophobicContact CG1-CD1 3.88Å; I589-F624 HydrophobicContact CG1-CE1 3.94Å; I589-Q627 HydrophobicContact CD1-CB 3.62Å; I589-Q627 HydrophobicContact CD1-CG 4.34Å; I589-Q627 VanDerWaalsContact CD1-OE1 3.31Å; I589-C628 HydrophobicContact CD1-CB 4.37Å; I589-C628 WeakPolarHBondContact CD1-SG 3.29Å
590D82.3Confident83.6Confident136 Ų13645.3 Ų45.373%0.72723%0.228SC*.Hα-helixtrans-63.6-40.2-179.6-70.7-21.9000112.1L588 M592L588-D590 VanDerWaalsContact C-N 3.3Å; L588-D590 PolarHBondContact O-N 3.34Å; D590-M592 VanDerWaalsContact C-N 3.3Å
591W81.8Confident83.2Confident185 Ų18549.6 Ų49.670%0.70125%0.246SC*.Hα-helixtrans-70.8-30.6177.4-64.290.7000111.8F475 L588 I589F475-W591 HydrophobicContact CE2-CB 4.37Å; F475-W591 HydrophobicContact CZ-CB 4.15Å; F475-W591 HydrophobicContact CZ-CD2 4.44Å; F475-W591 HydrophobicContact CZ-CG 4.2Å; L588-W591 PolarHBondContact O-N 3.03Å; I589-W591 VanDerWaalsContact C-N 3.34Å; I589-W591 PolarHBondContact O-N 2.97Å
592M85.9Confident82.8Confident1 Ų149.8 Ų49.81%0.00525%0.247CC..Hα-helixtrans-91.4-12.4-177.3-64.9-57.3173.800114F475 W549 V578 V581 L582 L588 I589 D590 L594 Y595 F596 F624F475-M592 HydrophobicContact CD2-CE 3.31Å; F475-M592 HydrophobicContact CE2-CE 3.36Å; W549-M592 HydrophobicContact CD2-CE 4.3Å; W549-M592 HydrophobicContact CE3-CE 4.29Å; W549-M592 HydrophobicContact CE3-SD 4.49Å; W549-M592 HydrophobicContact CH2-CE 3.62Å; W549-M592 HydrophobicContact CH2-SD 4.47Å; W549-M592 HydrophobicContact CZ2-CE 3.65Å; W549-M592 HydrophobicContact CZ3-CE 3.96Å; W549-M592 HydrophobicContact CZ3-SD 4.27Å; V578-M592 HydrophobicContact CG1-CB 4.27Å; V578-M592 HydrophobicContact CG1-CG 4.42Å; V578-M592 HydrophobicContact CG1-SD 4.19Å; V578-M592 HydrophobicContact CG2-SD 4.47Å; V581-M592 HydrophobicContact CG1-CE 4.07Å; L582-M592 HydrophobicContact CD1-CB 4.1Å; L582-M592 HydrophobicContact CD2-CB 3.9Å; L582-M592 HydrophobicContact CD2-CG 4.05Å; L582-M592 HydrophobicContact CG-CB 4.2Å; L582-M592 HydrophobicContact CG-CG 4.23Å; L588-M592 WeakPolarHBondContact O-CG 3.45Å; L588-M592 PolarHBondContact O-N 3.12Å; L588-M592 VanDerWaalsContact O-N 3.16Å; I589-M592 CarbonylContact O-C 3.28Å; I589-M592 PolarHBondContact O-N 3.07Å; I589-M592 VanDerWaalsContact O-N 3.15Å; D590-M592 VanDerWaalsContact C-N 3.3Å; M592-L594 PolarHBondContact O-N 3.18Å; M592-L594 VanDerWaalsContact O-N 3.12Å; M592-Y595 WeakPolarHBondContact O-CA 3.03Å; M592-Y595 WeakPolarHBondContact O-CB 3.31Å; M592-Y595 PolarHBondContact O-N 3.12Å; M592-Y595 HydrophobicContact SD-CD2 3.89Å; M592-Y595 HydrophobicContact SD-CE2 4.01Å; M592-F596 PolarHBondContact O-N 3.24Å; M592-F624 HydrophobicContact CB-CE1 4.39Å; M592-F624 HydrophobicContact CB-CZ 4.13Å
593Y84.3Confident82.5Confident62 Ų6249.4 Ų49.424%0.24325%0.245CC..Hα-helixtrans-57.3-32-176.1-172.6-99.6000113.5I589 Y595 F596 S597 Q631 H635I589-Y593 PolarHBondContact O-N 2.88Å; Y593-Y595 VanDerWaalsContact C-N 3.25Å; Y593-Y595 PolarHBondContact O-N 3.47Å; Y593-F596 HydrophobicContact CD2-CD1 4.45Å; Y593-F596 AromaticContact CE2-CD1 3.96Å; Y593-F596 HydrophobicContact CE2-CD1 3.96Å; Y593-F596 VanDerWaalsContact O-CB 3.3Å; Y593-F596 WeakPolarHBondContact O-CB 3.27Å; Y593-F596 PolarHBondContact O-N 3.25Å; Y593-S597 PolarHBondContact O-N 2.94Å; Y593-S597 VanDerWaalsContact O-N 3.15Å; Y593-Q631 HydrophobicContact CE2-CB 4.29Å; Y593-Q631 PolarHBondContact OH-OE1 3.14Å; Y593-H635 AromaticContact CZ-NE2 3.92Å; Y593-H635 PolarHBondContact OH-CD2 2.94Å; Y593-H635 PolarHBondContact OH-NE2 3.14Å
594L85.2Confident82.2Confident89 Ų8946.8 Ų46.847%0.46624%0.238SC..Hα-helixtrans-59.4-37.9174.6-17464.8000111.8I553 M592 F596 S597 L598I553-L594 HydrophobicContact CD1-CD2 3.68Å; I553-L594 HydrophobicContact CG1-CD2 4.29Å; I553-L594 HydrophobicContact CG2-CD2 4.42Å; M592-L594 PolarHBondContact O-N 3.18Å; M592-L594 VanDerWaalsContact O-N 3.12Å; L594-F596 VanDerWaalsContact C-N 3.32Å; L594-F596 PolarHBondContact O-N 2.9Å; L594-S597 PolarHBondContact O-N 3.37Å; L594-S597 PolarHBondContact O-OG 3.05Å; L594-L598 HydrophobicContact CG-CD1 4.48Å; L594-L598 WeakPolarHBondContact O-CG 3.43Å; L594-L598 PolarHBondContact O-N 2.8Å; L594-L598 VanDerWaalsContact O-N 3.1Å
595Y85.2Confident81.9Confident4 Ų447.3 Ų47.32%0.01624%0.242CC..Hα-helixtrans-67.6-31.3175.1-68.1-83.6000112.8W549 C552 I553 I574 V578 M592 Y593 L598 S599W549-Y595 VanDerWaalsContact C-OH 3.23Å; W549-Y595 WeakPolarHBondContact CA-OH 3.34Å; W549-Y595 VanDerWaalsContact CB-OH 3.27Å; W549-Y595 WeakPolarHBondContact CB-OH 3.49Å; W549-Y595 HydrophobicContact CE3-CE2 4.01Å; W549-Y595 AromaticContact CE3-CZ 3.81Å; W549-Y595 PolarHBondContact O-OH 2.75Å; C552-Y595 HydrophobicContact CB-CE1 4.22Å; I553-Y595 HydrophobicContact CD1-CE2 4.23Å; I553-Y595 HydrophobicContact CG1-CD1 4.42Å; I553-Y595 HydrophobicContact CG1-CE1 3.68Å; I553-Y595 HydrophobicContact CG1-CE2 4.26Å; I574-Y595 HydrophobicContact CG2-CD1 4.34Å; I574-Y595 HydrophobicContact CG2-CE1 4.1Å; V578-Y595 HydrophobicContact CG1-CG 4.4Å; V578-Y595 HydrophobicContact CG2-CD1 3.88Å; V578-Y595 HydrophobicContact CG2-CD2 4.1Å; V578-Y595 HydrophobicContact CG2-CE1 4.27Å; V578-Y595 HydrophobicContact CG2-CE2 4.48Å; V578-Y595 HydrophobicContact CG2-CG 3.78Å; M592-Y595 WeakPolarHBondContact O-CA 3.03Å; M592-Y595 WeakPolarHBondContact O-CB 3.31Å; M592-Y595 PolarHBondContact O-N 3.12Å; M592-Y595 HydrophobicContact SD-CD2 3.89Å; M592-Y595 HydrophobicContact SD-CE2 4.01Å; Y593-Y595 VanDerWaalsContact C-N 3.25Å; Y593-Y595 PolarHBondContact O-N 3.47Å; Y595-L598 PolarHBondContact O-N 3.49Å; Y595-S599 WeakPolarHBondContact O-CB 3.4Å; Y595-S599 PolarHBondContact O-N 2.56Å; Y595-S599 PolarHBondContact O-OG 2.77Å
596F83.3Confident81.3Confident0 Ų046.3 Ų46.30%024%0.237CC..Hα-helixtrans-62.6-47.2172.1175.4-103.8000111.2M592 Y593 L594 L598 S599 V600 F621 F624 V632 H635M592-F596 PolarHBondContact O-N 3.24Å; Y593-F596 HydrophobicContact CD2-CD1 4.45Å; Y593-F596 AromaticContact CE2-CD1 3.96Å; Y593-F596 HydrophobicContact CE2-CD1 3.96Å; Y593-F596 VanDerWaalsContact O-CB 3.3Å; Y593-F596 WeakPolarHBondContact O-CB 3.27Å; Y593-F596 PolarHBondContact O-N 3.25Å; L594-F596 VanDerWaalsContact C-N 3.32Å; L594-F596 PolarHBondContact O-N 2.9Å; F596-L598 VanDerWaalsContact C-N 3.31Å; F596-L598 PolarHBondContact O-N 2.7Å; F596-S599 WeakPolarHBondContact CA-OG 3.34Å; F596-S599 PolarHBondContact O-N 3.41Å; F596-S599 PolarHBondContact O-OG 3.22Å; F596-V600 HydrophobicContact CD2-CG2 4.32Å; F596-V600 HydrophobicContact CE1-CG2 3.97Å; F596-V600 HydrophobicContact CE2-CG2 3.75Å; F596-V600 HydrophobicContact CZ-CG2 3.51Å; F596-V600 WeakPolarHBondContact O-CG2 3.49Å; F596-V600 PolarHBondContact O-N 3.44Å; F596-V600 VanDerWaalsContact O-N 3.07Å; F596-F621 HydrophobicContact CD2-CD1 4.02Å; F596-F621 HydrophobicContact CD2-CE1 4.4Å; F596-F621 AromaticContact CE2-CD1 3.56Å; F596-F621 HydrophobicContact CE2-CD1 3.56Å; F596-F621 HydrophobicContact CE2-CE1 4.04Å; F596-F621 HydrophobicContact CE2-CG 4.47Å; F596-F624 HydrophobicContact CB-CD1 4.12Å; F596-F624 HydrophobicContact CB-CD2 3.91Å; F596-F624 HydrophobicContact CB-CE1 3.86Å; F596-F624 HydrophobicContact CB-CE2 3.63Å; F596-F624 HydrophobicContact CB-CG 4.15Å; F596-F624 HydrophobicContact CB-CZ 3.6Å; F596-F624 HydrophobicContact CD2-CB 4.03Å; F596-F624 HydrophobicContact CD2-CD1 4.49Å; F596-F624 AromaticContact CD2-CD2 3.59Å; F596-F624 HydrophobicContact CD2-CD2 3.59Å; F596-F624 HydrophobicContact CD2-CE2 4.12Å; F596-F624 AromaticContact CD2-CG 3.8Å; F596-F624 HydrophobicContact CD2-CG 3.8Å; F596-F624 HydrophobicContact CE2-CB 4.4Å; F596-F624 HydrophobicContact CG-CD1 4.41Å; F596-F624 HydrophobicContact CG-CD2 4.11Å; F596-F624 HydrophobicContact CG-CE2 4.32Å; F596-F624 HydrophobicContact CG-CG 4.15Å; F596-V632 HydrophobicContact CD2-CG2 4.45Å; F596-V632 HydrophobicContact CE1-CG2 4.25Å; F596-V632 HydrophobicContact CE2-CB 4.28Å; F596-V632 HydrophobicContact CE2-CG1 3.97Å; F596-V632 HydrophobicContact CE2-CG2 3.79Å; F596-V632 HydrophobicContact CZ-CB 3.91Å; F596-V632 HydrophobicContact CZ-CG1 3.88Å; F596-V632 HydrophobicContact CZ-CG2 3.71Å; F596-H635 HydrophobicContact CE1-CB 3.73Å; F596-H635 AromaticContact CE1-CD2 3.58Å; F596-H635 AromaticContact CE1-CG 3.82Å; F596-H635 HydrophobicContact CZ-CB 4.02Å
597S83.1Confident80.7Confident22 Ų2252.7 Ų52.715%0.15426%0.259CS..Hα-helixtrans-59.8-44.7177.372.60000111.3Y593 L594 S599 V600 F601Y593-S597 PolarHBondContact O-N 2.94Å; Y593-S597 VanDerWaalsContact O-N 3.15Å; L594-S597 PolarHBondContact O-N 3.37Å; L594-S597 PolarHBondContact O-OG 3.05Å; S597-S599 PolarHBondContact O-N 2.88Å; S597-V600 PolarHBondContact O-N 2.8Å; S597-F601 WeakPolarHBondContact O-CD2 3.36Å; S597-F601 PolarHBondContact O-N 3.11Å; S597-F601 VanDerWaalsContact O-N 3.13Å
598L83.8Confident80Confident19 Ų1954.8 Ų54.810%0.09926%0.264CS..Hα-helixtrans-63.2-41.6177.6-68.1171.7000112.3I553 V556 N557 L594 Y595 F596 F601 T602I553-L598 HydrophobicContact CB-CD1 4.47Å; I553-L598 HydrophobicContact CG1-CD1 4.25Å; I553-L598 HydrophobicContact CG2-CD1 4.03Å; V556-L598 HydrophobicContact CG1-CB 4.35Å; N557-L598 WeakPolarHBondContact OD1-CD2 3.48Å; L594-L598 HydrophobicContact CG-CD1 4.48Å; L594-L598 WeakPolarHBondContact O-CG 3.43Å; L594-L598 PolarHBondContact O-N 2.8Å; L594-L598 VanDerWaalsContact O-N 3.1Å; Y595-L598 PolarHBondContact O-N 3.49Å; F596-L598 VanDerWaalsContact C-N 3.31Å; F596-L598 PolarHBondContact O-N 2.7Å; L598-F601 PolarHBondContact O-N 3.39Å; L598-T602 VanDerWaalsContact O-CG2 3.3Å; L598-T602 WeakPolarHBondContact O-CG2 3.47Å; L598-T602 PolarHBondContact O-N 3.33Å; L598-T602 PolarHBondContact O-OG1 3.31Å
599S82.5Confident79.5Confident0 Ų054.2 Ų54.20%026%0.262CS..Hα-helixtrans-64.5-43.2179.862.80000111.7F575 Y595 F596 S597 F601 T602 F603 L620 F621F575-S599 VanDerWaalsContact CE1-CB 3.48Å; Y595-S599 WeakPolarHBondContact O-CB 3.4Å; Y595-S599 PolarHBondContact O-N 2.56Å; Y595-S599 PolarHBondContact O-OG 2.77Å; F596-S599 WeakPolarHBondContact CA-OG 3.34Å; F596-S599 PolarHBondContact O-N 3.41Å; F596-S599 PolarHBondContact O-OG 3.22Å; S597-S599 PolarHBondContact O-N 2.88Å; S599-F601 PolarHBondContact O-N 3.4Å; S599-T602 WeakPolarHBondContact CA-OG1 3.27Å; S599-T602 PolarHBondContact O-N 3.1Å; S599-T602 PolarHBondContact O-OG1 3.05Å; S599-F603 WeakPolarHBondContact O-CB 3.26Å; S599-F603 PolarHBondContact O-N 2.71Å; S599-L620 WeakPolarHBondContact OG-CD2 3.49Å; S599-F621 WeakPolarHBondContact OG-CE1 3.16Å
600V79.9Confident79.4Confident4 Ų456.1 Ų56.12%0.02428%0.277CS..Hα-helixtrans-59-48175174.50000111.1F596 S597 T602 F603 S604 F621 H635 S639 L641F596-V600 HydrophobicContact CD2-CG2 4.32Å; F596-V600 HydrophobicContact CE1-CG2 3.97Å; F596-V600 HydrophobicContact CE2-CG2 3.75Å; F596-V600 HydrophobicContact CZ-CG2 3.51Å; F596-V600 WeakPolarHBondContact O-CG2 3.49Å; F596-V600 PolarHBondContact O-N 3.44Å; F596-V600 VanDerWaalsContact O-N 3.07Å; S597-V600 PolarHBondContact O-N 2.8Å; V600-T602 PolarHBondContact O-N 3.27Å; V600-F603 PolarHBondContact O-N 3.28Å; V600-S604 WeakPolarHBondContact O-CB 3.43Å; V600-S604 PolarHBondContact O-N 3.38Å; V600-S604 PolarHBondContact O-OG 3.44Å; V600-F621 HydrophobicContact CG2-CD1 4.36Å; V600-F621 HydrophobicContact CG2-CE1 3.58Å; V600-F621 HydrophobicContact CG2-CZ 4Å; V600-H635 HydrophobicContact CG1-CB 4.4Å; V600-H635 HydrophobicContact CG2-CB 4.34Å; V600-S639 VanDerWaalsContact CG1-CB 3.45Å; V600-S639 WeakPolarHBondContact CG1-OG 3.43Å; V600-L641 HydrophobicContact CG1-CD1 4.45Å
601F79.9Confident79.4Confident127 Ų12750.3 Ų50.356%0.55725%0.246SC*.Hα-helixtrans-62.1-44.7177.2-74.7-63.9000111.8S597 L598 S599 F603 S604 S605S597-F601 WeakPolarHBondContact O-CD2 3.36Å; S597-F601 PolarHBondContact O-N 3.11Å; S597-F601 VanDerWaalsContact O-N 3.13Å; L598-F601 PolarHBondContact O-N 3.39Å; S599-F601 PolarHBondContact O-N 3.4Å; F601-F603 PolarHBondContact O-N 2.92Å; F601-S604 PolarHBondContact O-N 3.39Å; F601-S604 PolarHBondContact O-OG 3.25Å; F601-S605 PolarHBondContact O-N 2.93Å
602T78.1Confident79.4Confident3 Ų345 Ų452%0.01823%0.233CC..Hα-helixtrans-63-40.2178.158.50000112.5V556 L598 S599 V600 S605V556-T602 HydrophobicContact CG1-CG2 3.81Å; L598-T602 VanDerWaalsContact O-CG2 3.3Å; L598-T602 WeakPolarHBondContact O-CG2 3.47Å; L598-T602 PolarHBondContact O-N 3.33Å; L598-T602 PolarHBondContact O-OG1 3.31Å; S599-T602 WeakPolarHBondContact CA-OG1 3.27Å; S599-T602 PolarHBondContact O-N 3.1Å; S599-T602 PolarHBondContact O-OG1 3.05Å; V600-T602 PolarHBondContact O-N 3.27Å; T602-S605 PolarHBondContact O-N 3.36Å; T602-S605 PolarHBondContact O-OG 3.36Å
603F78.8Confident79.4Confident2 Ų245 Ų451%0.00923%0.233CC..Hα-helixtrans-68.8-39.4179.3-168.3-116.3000111.7S599 V600 F601 S605 Y606 P609 F613 M617 F621 L641 I651 Y652 L655S599-F603 WeakPolarHBondContact O-CB 3.26Å; S599-F603 PolarHBondContact O-N 2.71Å; V600-F603 PolarHBondContact O-N 3.28Å; F601-F603 PolarHBondContact O-N 2.92Å; F603-S605 PolarHBondContact O-N 2.99Å; F603-Y606 PolarHBondContact O-N 2.88Å; F603-P609 HydrophobicContact CE2-CB 4.15Å; F603-P609 HydrophobicContact CE2-CG 4.03Å; F603-P609 HydrophobicContact CZ-CG 4.47Å; F603-F613 HydrophobicContact CD2-CD1 4.22Å; F603-F613 AromaticContact CD2-CE1 3.88Å; F603-F613 HydrophobicContact CD2-CE1 3.88Å; F603-M617 HydrophobicContact CB-CG 4.39Å; F603-M617 HydrophobicContact CD2-CB 3.96Å; F603-M617 HydrophobicContact CD2-CG 3.81Å; F603-M617 HydrophobicContact CE2-CB 4.36Å; F603-M617 HydrophobicContact CG-CB 4.34Å; F603-M617 HydrophobicContact CG-CG 4.34Å; F603-F621 HydrophobicContact CB-CZ 4.25Å; F603-F621 HydrophobicContact CD1-CE2 4.03Å; F603-F621 HydrophobicContact CD1-CZ 4.46Å; F603-F621 HydrophobicContact CG-CE2 4.41Å; F603-L641 HydrophobicContact CD1-CD1 3.56Å; F603-L641 HydrophobicContact CD1-CD2 3.31Å; F603-L641 HydrophobicContact CD1-CG 4.04Å; F603-L641 HydrophobicContact CE1-CD1 4.24Å; F603-L641 HydrophobicContact CE1-CD2 3.57Å; F603-L641 HydrophobicContact CE1-CG 4.45Å; F603-L641 HydrophobicContact CG-CD2 4.4Å; F603-I651 HydrophobicContact CZ-CG2 4.45Å; F603-Y652 HydrophobicContact CE1-CE2 4.29Å; F603-Y652 AromaticContact CE1-CZ 3.98Å; F603-L655 HydrophobicContact CZ-CD1 3.99Å
604S77.3Confident79.5Confident48 Ų4842 Ų4234%0.33622%0.221SC..Hα-helixtrans-64.1-23.9176.8720000114.3V600 F601 Y606V600-S604 WeakPolarHBondContact O-CB 3.43Å; V600-S604 PolarHBondContact O-N 3.38Å; V600-S604 PolarHBondContact O-OG 3.44Å; F601-S604 PolarHBondContact O-N 3.39Å; F601-S604 PolarHBondContact O-OG 3.25Å; S604-Y606 VanDerWaalsContact C-N 3.34Å
605S75.9Confident79.5Confident44 Ų4438 Ų3831%0.30820%0.2SC..THydrogen-bonded Turntrans-80.8-10.517970.40000114.3F601 T602 F603F601-S605 PolarHBondContact O-N 2.93Å; T602-S605 PolarHBondContact O-N 3.36Å; T602-S605 PolarHBondContact O-OG 3.36Å; F603-S605 PolarHBondContact O-N 2.99Å
606Y72.1Confident79.4Confident15 Ų1538 Ų386%0.05920%0.201CC..  trans-86.4122.9179.1-97.7-95.5000111.6N563 V568 F603 S604 P609 F613N563-Y606 HydrophobicContact CB-CE1 4.2Å; N563-Y606 VanDerWaalsContact CG-CZ 3.48Å; N563-Y606 VanDerWaalsContact OD1-CE2 3.23Å; N563-Y606 WeakPolarHBondContact OD1-CE2 3.39Å; N563-Y606 PolarHBondContact OD1-OH 3.48Å; V568-Y606 WeakPolarHBondContact CG2-OH 3.41Å; F603-Y606 PolarHBondContact O-N 2.88Å; S604-Y606 VanDerWaalsContact C-N 3.34Å; Y606-P609 HydrophobicContact CD1-CB 4Å; Y606-P609 HydrophobicContact CG-CB 4.15Å; Y606-F613 HydrophobicContact CD2-CD1 4.47Å; Y606-F613 AromaticContact CD2-CE1 3.77Å; Y606-F613 HydrophobicContact CD2-CE1 3.77Å; Y606-F613 HydrophobicContact CD2-CZ 4.24Å; Y606-F613 AromaticContact CE2-CE1 3.89Å; Y606-F613 HydrophobicContact CE2-CE1 3.89Å; Y606-F613 HydrophobicContact CE2-CZ 4.02Å; Y606-F613 HydrophobicContact CG-CE1 4.3Å
607H66.8Low79.6Confident177 Ų17738 Ų3882%0.81920%0.201SC*.SBendtrans-80.3-32.7171.8-72-58.5000113
608E68.8Low79.8Confident177 Ų17737 Ų3783%0.82719%0.194SC*.SBendtrans-141.386.6175.1-70.7-175.1171.800109.4
609P72.8Confident80Confident10 Ų1039 Ų397%0.06520%0.2CC..  trans-73.4143179.929.5-31.4000110.8F603 Y606 F613 S614 L655F603-P609 HydrophobicContact CE2-CB 4.15Å; F603-P609 HydrophobicContact CE2-CG 4.03Å; F603-P609 HydrophobicContact CZ-CG 4.47Å; Y606-P609 HydrophobicContact CD1-CB 4Å; Y606-P609 HydrophobicContact CG-CB 4.15Å; P609-F613 HydrophobicContact CB-CD1 3.99Å; P609-S614 VanDerWaalsContact CB-OG 3.31Å; P609-S614 WeakPolarHBondContact CB-OG 3.41Å; P609-S614 WeakPolarHBondContact CG-OG 3.11Å; P609-L655 HydrophobicContact CG-CD1 4.05Å; P609-L655 HydrophobicContact CG-CD2 4.03Å
610S80.1Confident80.3Confident54 Ų5439 Ų3938%0.37820%0.2SC..  trans-61.8150.8169.869.90000109.6V612 F613 S614S610-V612 VanDerWaalsContact C-N 3.28Å; S610-V612 PolarHBondContact O-N 3.49Å; S610-F613 PolarHBondContact O-N 3.27Å; S610-F613 VanDerWaalsContact OG-CB 3.25Å; S610-F613 WeakPolarHBondContact OG-CB 3.27Å; S610-F613 PolarHBondContact OG-N 3.31Å; S610-S614 WeakPolarHBondContact O-CB 3.28Å; S610-S614 PolarHBondContact O-N 3.16Å; S610-S614 PolarHBondContact O-OG 3.14Å
611L81.8Confident80.7Confident14 Ų1438.8 Ų38.87%0.07320%0.199CC..Hα-helixtrans-60.9-42.6-178.5-16759.1000110.6F613 S614 T615 A659 D662 E664 G665 F668L611-F613 PolarHBondContact O-N 3.5Å; L611-S614 PolarHBondContact O-N 3.33Å; L611-T615 WeakPolarHBondContact O-CB 3.2Å; L611-T615 PolarHBondContact O-N 3.14Å; L611-T615 PolarHBondContact O-OG1 3.47Å; L611-A659 HydrophobicContact CD1-CB 4.03Å; L611-D662 HydrophobicContact CD2-CB 4.17Å; L611-E664 HydrophobicContact CD2-CB 4.21Å; L611-G665 VanDerWaalsContact CD2-CA 3.47Å; L611-F668 HydrophobicContact CD1-CB 3.6Å; L611-F668 HydrophobicContact CD1-CD1 4.09Å; L611-F668 HydrophobicContact CD1-CD2 4.37Å; L611-F668 HydrophobicContact CD1-CG 3.75Å; L611-F668 HydrophobicContact CG-CB 4.23Å
612V83Confident81Confident73 Ų7333 Ų3344%0.44217%0.174SC..Hα-helixtrans-58.5-46.6175.5-175.70000112.3I572 S610 T615 E616I572-V612 HydrophobicContact CD1-CG1 4.24Å; S610-V612 VanDerWaalsContact C-N 3.28Å; S610-V612 PolarHBondContact O-N 3.49Å; V612-T615 PolarHBondContact O-N 3.27Å; V612-E616 WeakPolarHBondContact O-CG 3.28Å; V612-E616 PolarHBondContact O-N 3.26Å; V612-E616 VanDerWaalsContact O-N 3.16Å
613F85.5Confident81.4Confident0 Ų033.6 Ų33.60%018%0.18CC..Hα-helixtrans-63.2-44.2176.9-179.3-104.5000111V568 K571 I572 F603 Y606 P609 S610 L611 T615 E616 M617V568-F613 HydrophobicContact CG1-CB 4.08Å; V568-F613 HydrophobicContact CG1-CD2 3.7Å; V568-F613 HydrophobicContact CG1-CE2 4.45Å; V568-F613 HydrophobicContact CG1-CG 4.12Å; K571-F613 HydrophobicContact CB-CE2 4.19Å; K571-F613 HydrophobicContact CD-CE2 4.48Å; I572-F613 HydrophobicContact CD1-CB 4.24Å; I572-F613 HydrophobicContact CD1-CD2 4.27Å; I572-F613 HydrophobicContact CG1-CD2 3.79Å; F603-F613 HydrophobicContact CD2-CD1 4.22Å; F603-F613 AromaticContact CD2-CE1 3.88Å; F603-F613 HydrophobicContact CD2-CE1 3.88Å; Y606-F613 HydrophobicContact CD2-CD1 4.47Å; Y606-F613 AromaticContact CD2-CE1 3.77Å; Y606-F613 HydrophobicContact CD2-CE1 3.77Å; Y606-F613 HydrophobicContact CD2-CZ 4.24Å; Y606-F613 AromaticContact CE2-CE1 3.89Å; Y606-F613 HydrophobicContact CE2-CE1 3.89Å; Y606-F613 HydrophobicContact CE2-CZ 4.02Å; Y606-F613 HydrophobicContact CG-CE1 4.3Å; P609-F613 HydrophobicContact CB-CD1 3.99Å; S610-F613 PolarHBondContact O-N 3.27Å; S610-F613 VanDerWaalsContact OG-CB 3.25Å; S610-F613 WeakPolarHBondContact OG-CB 3.27Å; S610-F613 PolarHBondContact OG-N 3.31Å; L611-F613 PolarHBondContact O-N 3.5Å; F613-T615 PolarHBondContact O-N 2.95Å; F613-E616 PolarHBondContact O-N 3.17Å; F613-M617 HydrophobicContact CD1-CG 4.22Å; F613-M617 HydrophobicContact CD2-CE 3.78Å; F613-M617 HydrophobicContact CE1-CE 4.3Å; F613-M617 HydrophobicContact CE1-CG 3.93Å; F613-M617 HydrophobicContact CE2-CE 3.16Å; F613-M617 HydrophobicContact CE2-CG 4.36Å; F613-M617 HydrophobicContact CE2-SD 4.4Å; F613-M617 HydrophobicContact CZ-CE 3.46Å; F613-M617 VanDerWaalsContact CZ-CE 3.46Å; F613-M617 HydrophobicContact CZ-CG 3.98Å; F613-M617 HydrophobicContact CZ-SD 4.14Å; F613-M617 VanDerWaalsContact O-CG 3.31Å; F613-M617 WeakPolarHBondContact O-CG 3.24Å; F613-M617 PolarHBondContact O-N 3.49Å
614S85.1Confident81.8Confident0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-63.9-39.5179.8-53.40000112.5P609 S610 L611 T618P609-S614 VanDerWaalsContact CB-OG 3.31Å; P609-S614 WeakPolarHBondContact CB-OG 3.41Å; P609-S614 WeakPolarHBondContact CG-OG 3.11Å; S610-S614 WeakPolarHBondContact O-CB 3.28Å; S610-S614 PolarHBondContact O-N 3.16Å; S610-S614 PolarHBondContact O-OG 3.14Å; L611-S614 PolarHBondContact O-N 3.33Å; S614-T618 VanDerWaalsContact O-CB 3.27Å; S614-T618 WeakPolarHBondContact O-CB 3.5Å; S614-T618 PolarHBondContact O-N 2.98Å; S614-T618 PolarHBondContact O-OG1 2.93Å
615T85.2Confident82.1Confident4 Ų431.3 Ų31.33%0.02516%0.163CC..Hα-helixtrans-59-51.7174.3-62.50000110.4L611 V612 F613 M617 T618 R619 E667 F668 A671L611-T615 WeakPolarHBondContact O-CB 3.2Å; L611-T615 PolarHBondContact O-N 3.14Å; L611-T615 PolarHBondContact O-OG1 3.47Å; V612-T615 PolarHBondContact O-N 3.27Å; F613-T615 PolarHBondContact O-N 2.95Å; T615-M617 PolarHBondContact O-N 3.49Å; T615-T618 PolarHBondContact O-N 2.9Å; T615-R619 HydrophobicContact CG2-CG 4.34Å; T615-R619 WeakPolarHBondContact O-CB 3.43Å; T615-R619 VanDerWaalsContact O-CG 3.27Å; T615-R619 WeakPolarHBondContact O-CG 3.49Å; T615-R619 PolarHBondContact O-N 2.85Å; T615-E667 HydrophobicContact CG2-CB 3.78Å; T615-F668 VanDerWaalsContact OG1-CA 3.3Å; T615-F668 WeakPolarHBondContact OG1-CA 3.29Å; T615-F668 VanDerWaalsContact OG1-CB 3.3Å; T615-F668 WeakPolarHBondContact OG1-CB 3.4Å; T615-F668 PolarHBondContact OG1-N 2.96Å; T615-A671 HydrophobicContact CG2-CB 4.5Å
616E84.5Confident82.5Confident6 Ų638.3 Ų38.33%0.02818%0.183CC..Hα-helixtrans-65.8-40-176.5-66.1-68.2106.500112I572 R576 R579 V612 F613 R619 L620I572-E616 HydrophobicContact CG2-CG 4Å; R576-E616 IonicContact CZ-OE2 2.76Å; R576-E616 IonicContact NE-OE2 3.89Å; R576-E616 PolarHBondContact NE-OE2 2.79Å; R576-E616 IonicContact NH2-OE2 2.97Å; R579-E616 IonicContact CZ-OE1 3.9Å; R579-E616 IonicContact CZ-OE2 3.62Å; R579-E616 IonicContact NH1-OE1 2.65Å; R579-E616 PolarHBondContact NH1-OE1 3.39Å; R579-E616 IonicContact NH1-OE2 4Å; R579-E616 PolarHBondContact NH1-OE2 3.3Å; R579-E616 IonicContact NH2-OE1 2.75Å; R579-E616 IonicContact NH2-OE2 3.3Å; V612-E616 WeakPolarHBondContact O-CG 3.28Å; V612-E616 PolarHBondContact O-N 3.26Å; V612-E616 VanDerWaalsContact O-N 3.16Å; F613-E616 PolarHBondContact O-N 3.17Å; E616-R619 PolarHBondContact O-N 3.48Å; E616-R619 IonicContact OE1-CZ 2.61Å; E616-R619 IonicContact OE1-NH1 3.55Å; E616-R619 PolarHBondContact OE1-NH1 2.88Å; E616-L620 WeakPolarHBondContact O-CB 3.5Å; E616-L620 PolarHBondContact O-N 3.49Å
617M87.3Confident82.9Confident0 Ų041.5 Ų41.50%020%0.199CC..Hα-helixtrans-62.8-45.2173.3-65.8-58.614000111.9F575 F603 F613 T615 R619 L620 F621F575-M617 HydrophobicContact CB-CE 4.06Å; F575-M617 HydrophobicContact CD2-CE 3.07Å; F575-M617 HydrophobicContact CD2-SD 3.99Å; F575-M617 HydrophobicContact CE2-CE 3.6Å; F575-M617 HydrophobicContact CE2-SD 4.24Å; F575-M617 HydrophobicContact CG-CE 3.77Å; F575-M617 HydrophobicContact CG-SD 4.34Å; F603-M617 HydrophobicContact CB-CG 4.39Å; F603-M617 HydrophobicContact CD2-CB 3.96Å; F603-M617 HydrophobicContact CD2-CG 3.81Å; F603-M617 HydrophobicContact CE2-CB 4.36Å; F603-M617 HydrophobicContact CG-CB 4.34Å; F603-M617 HydrophobicContact CG-CG 4.34Å; F613-M617 HydrophobicContact CD1-CG 4.22Å; F613-M617 HydrophobicContact CD2-CE 3.78Å; F613-M617 HydrophobicContact CE1-CE 4.3Å; F613-M617 HydrophobicContact CE1-CG 3.93Å; F613-M617 HydrophobicContact CE2-CE 3.16Å; F613-M617 HydrophobicContact CE2-CG 4.36Å; F613-M617 HydrophobicContact CE2-SD 4.4Å; F613-M617 HydrophobicContact CZ-CE 3.46Å; F613-M617 VanDerWaalsContact CZ-CE 3.46Å; F613-M617 HydrophobicContact CZ-CG 3.98Å; F613-M617 HydrophobicContact CZ-SD 4.14Å; F613-M617 VanDerWaalsContact O-CG 3.31Å; F613-M617 WeakPolarHBondContact O-CG 3.24Å; F613-M617 PolarHBondContact O-N 3.49Å; T615-M617 PolarHBondContact O-N 3.49Å; M617-R619 PolarHBondContact O-N 3.3Å; M617-L620 WeakPolarHBondContact O-CB 3.4Å; M617-L620 PolarHBondContact O-N 3.06Å; M617-F621 HydrophobicContact CB-CE2 4.17Å; M617-F621 HydrophobicContact CB-CZ 4.31Å; M617-F621 WeakPolarHBondContact O-CD2 3.36Å; M617-F621 WeakPolarHBondContact O-CG 3.41Å; M617-F621 PolarHBondContact O-N 3.19Å
618T86Confident83.6Confident0 Ų034.4 Ų34.40%017%0.169CC..Hα-helixtrans-68.4-37.2-178.4-53.10000111.3S614 T615 L620 F621 A622 Y652 A671 L675S614-T618 VanDerWaalsContact O-CB 3.27Å; S614-T618 WeakPolarHBondContact O-CB 3.5Å; S614-T618 PolarHBondContact O-N 2.98Å; S614-T618 PolarHBondContact O-OG1 2.93Å; T615-T618 PolarHBondContact O-N 2.9Å; T618-L620 VanDerWaalsContact C-N 3.35Å; T618-F621 PolarHBondContact O-N 3.41Å; T618-A622 WeakPolarHBondContact O-CB 3.33Å; T618-A622 PolarHBondContact O-N 3.27Å; T618-Y652 HydrophobicContact CG2-CE1 4.16Å; T618-A671 HydrophobicContact CG2-CB 4.07Å; T618-L675 HydrophobicContact CG2-CB 4.46Å; T618-L675 HydrophobicContact CG2-CD2 4.25Å
619R88.9Confident84.3Confident61 Ų6126.1 Ų26.123%0.2313%0.13CC..Hα-helixtrans-62.6-41.2171.6-72.7178.8173.7149.6-4.2111.6T615 E616 M617 A622 A623 E667 A671T615-R619 HydrophobicContact CG2-CG 4.34Å; T615-R619 WeakPolarHBondContact O-CB 3.43Å; T615-R619 VanDerWaalsContact O-CG 3.27Å; T615-R619 WeakPolarHBondContact O-CG 3.49Å; T615-R619 PolarHBondContact O-N 2.85Å; E616-R619 PolarHBondContact O-N 3.48Å; E616-R619 IonicContact OE1-CZ 2.61Å; E616-R619 IonicContact OE1-NH1 3.55Å; E616-R619 PolarHBondContact OE1-NH1 2.88Å; M617-R619 PolarHBondContact O-N 3.3Å; R619-A622 PolarHBondContact O-N 2.88Å; R619-A623 PolarHBondContact O-N 3.37Å; R619-E667 IonicContact CZ-OE2 3.85Å; R619-E667 VanDerWaalsContact CZ-OE2 3.28Å; R619-E667 IonicContact NH1-OE2 3.76Å; R619-E667 PolarHBondContact NH1-OE2 3.02Å; R619-E667 VanDerWaalsContact NH2-CD 3.27Å; R619-E667 IonicContact NH2-OE2 3.48Å; R619-E667 PolarHBondContact NH2-OE2 3.31Å; R619-A671 HydrophobicContact CB-CB 4.43Å; R619-A671 HydrophobicContact CG-CB 3.46Å; R619-A671 VanDerWaalsContact CG-CB 3.46Å
620L88.2Confident84.7Confident0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-62.2-46.9174.8-176.570.2000110.9F575 V578 R579 L582 S599 E616 M617 T618 A622 A623 F624F575-L620 HydrophobicContact CB-CD2 4.15Å; F575-L620 HydrophobicContact CD1-CD2 3.67Å; F575-L620 HydrophobicContact CE1-CD2 4.43Å; F575-L620 HydrophobicContact CG-CD2 4.17Å; V578-L620 HydrophobicContact CB-CD1 4.31Å; V578-L620 HydrophobicContact CG1-CD1 3.95Å; R579-L620 HydrophobicContact CB-CD1 3.89Å; L582-L620 HydrophobicContact CD1-CD1 4.44Å; S599-L620 WeakPolarHBondContact OG-CD2 3.49Å; E616-L620 WeakPolarHBondContact O-CB 3.5Å; E616-L620 PolarHBondContact O-N 3.49Å; M617-L620 WeakPolarHBondContact O-CB 3.4Å; M617-L620 PolarHBondContact O-N 3.06Å; T618-L620 VanDerWaalsContact C-N 3.35Å; L620-A622 VanDerWaalsContact C-N 3.32Å; L620-A622 PolarHBondContact O-N 3.47Å; L620-A623 WeakPolarHBondContact O-CB 3.37Å; L620-A623 PolarHBondContact O-N 3.13Å; L620-F624 HydrophobicContact CD1-CD2 4.12Å; L620-F624 HydrophobicContact CD1-CE2 3.69Å; L620-F624 HydrophobicContact CD2-CE2 4.43Å; L620-F624 HydrophobicContact CG-CD2 4.02Å; L620-F624 HydrophobicContact CG-CE2 3.87Å; L620-F624 WeakPolarHBondContact O-CD2 3.46Å; L620-F624 PolarHBondContact O-N 3.44Å; L620-F624 VanDerWaalsContact O-N 3.08Å
621F88.6Confident84.8Confident0 Ų030.1 Ų30.10%014%0.142CC..Hα-helixtrans-61.1-40.5176.4-58.8-28.8000112.2F596 S599 V600 F603 M617 T618 A623 F624 A625 L636 L641 Y652 L675F596-F621 HydrophobicContact CD2-CD1 4.02Å; F596-F621 HydrophobicContact CD2-CE1 4.4Å; F596-F621 AromaticContact CE2-CD1 3.56Å; F596-F621 HydrophobicContact CE2-CD1 3.56Å; F596-F621 HydrophobicContact CE2-CE1 4.04Å; F596-F621 HydrophobicContact CE2-CG 4.47Å; S599-F621 WeakPolarHBondContact OG-CE1 3.16Å; V600-F621 HydrophobicContact CG2-CD1 4.36Å; V600-F621 HydrophobicContact CG2-CE1 3.58Å; V600-F621 HydrophobicContact CG2-CZ 4Å; F603-F621 HydrophobicContact CB-CZ 4.25Å; F603-F621 HydrophobicContact CD1-CE2 4.03Å; F603-F621 HydrophobicContact CD1-CZ 4.46Å; F603-F621 HydrophobicContact CG-CE2 4.41Å; M617-F621 HydrophobicContact CB-CE2 4.17Å; M617-F621 HydrophobicContact CB-CZ 4.31Å; M617-F621 WeakPolarHBondContact O-CD2 3.36Å; M617-F621 WeakPolarHBondContact O-CG 3.41Å; M617-F621 PolarHBondContact O-N 3.19Å; T618-F621 PolarHBondContact O-N 3.41Å; F621-A623 VanDerWaalsContact C-N 3.33Å; F621-A623 PolarHBondContact O-N 3.11Å; F621-F624 PolarHBondContact O-N 3.43Å; F621-A625 VanDerWaalsContact O-CB 3.28Å; F621-A625 WeakPolarHBondContact O-CB 3.43Å; F621-A625 PolarHBondContact O-N 2.83Å; F621-L636 HydrophobicContact CD2-CD2 3.92Å; F621-L636 HydrophobicContact CE2-CD2 3.94Å; F621-L636 HydrophobicContact CG-CD2 4.33Å; F621-L636 HydrophobicContact CZ-CD2 4.34Å; F621-L641 HydrophobicContact CE2-CD1 4.36Å; F621-Y652 WeakPolarHBondContact CD2-OH 3.5Å; F621-L675 HydrophobicContact CB-CD1 4.14Å; F621-L675 HydrophobicContact CB-CD2 4.34Å
622A87.1Confident84.7Confident5 Ų529.5 Ų29.54%0.04114%0.139CC..Hα-helixtrans-61.9-41.1175.700000111.7T618 R619 L620 A625 R626 Q674 L675 N678T618-A622 WeakPolarHBondContact O-CB 3.33Å; T618-A622 PolarHBondContact O-N 3.27Å; R619-A622 PolarHBondContact O-N 2.88Å; L620-A622 VanDerWaalsContact C-N 3.32Å; L620-A622 PolarHBondContact O-N 3.47Å; A622-A625 PolarHBondContact O-N 3.48Å; A622-R626 PolarHBondContact O-N 2.85Å; A622-Q674 HydrophobicContact CB-CB 4.34Å; A622-Q674 HydrophobicContact CB-CG 4.16Å; A622-L675 HydrophobicContact CB-CB 4.03Å; A622-N678 PolarHBondContact O-ND2 2.86Å
623A85.9Confident84.6Confident16 Ų1626 Ų2613%0.13212%0.118CC..Hα-helixtrans-62.4-45.7176.600000112R579 Q583 R619 L620 F621 R626R579-A623 HydrophobicContact CG-CB 4.37Å; Q583-A623 HydrophobicContact CG-CB 4.12Å; R619-A623 PolarHBondContact O-N 3.37Å; L620-A623 WeakPolarHBondContact O-CB 3.37Å; L620-A623 PolarHBondContact O-N 3.13Å; F621-A623 VanDerWaalsContact C-N 3.33Å; F621-A623 PolarHBondContact O-N 3.11Å; A623-R626 PolarHBondContact O-N 3.23Å
624F86.9Confident84.4Confident1 Ų126.9 Ų26.90%0.00412%0.124CC..Hα-helixtrans-66.7-36.6174.8-80.6-76.5000113V578 L582 I589 M592 F596 L620 F621 R626 Q627 C628 V632V578-F624 HydrophobicContact CG1-CZ 4.45Å; L582-F624 HydrophobicContact CD1-CD1 4.21Å; L582-F624 HydrophobicContact CD1-CD2 4.01Å; L582-F624 HydrophobicContact CD1-CE1 3.63Å; L582-F624 HydrophobicContact CD1-CE2 3.4Å; L582-F624 HydrophobicContact CD1-CG 4.39Å; L582-F624 HydrophobicContact CD1-CZ 3.18Å; L582-F624 HydrophobicContact CD2-CE1 4.43Å; I589-F624 HydrophobicContact CD1-CD1 3.97Å; I589-F624 HydrophobicContact CG1-CD1 3.88Å; I589-F624 HydrophobicContact CG1-CE1 3.94Å; M592-F624 HydrophobicContact CB-CE1 4.39Å; M592-F624 HydrophobicContact CB-CZ 4.13Å; F596-F624 HydrophobicContact CB-CD1 4.12Å; F596-F624 HydrophobicContact CB-CD2 3.91Å; F596-F624 HydrophobicContact CB-CE1 3.86Å; F596-F624 HydrophobicContact CB-CE2 3.63Å; F596-F624 HydrophobicContact CB-CG 4.15Å; F596-F624 HydrophobicContact CB-CZ 3.6Å; F596-F624 HydrophobicContact CD2-CB 4.03Å; F596-F624 HydrophobicContact CD2-CD1 4.49Å; F596-F624 AromaticContact CD2-CD2 3.59Å; F596-F624 HydrophobicContact CD2-CD2 3.59Å; F596-F624 HydrophobicContact CD2-CE2 4.12Å; F596-F624 AromaticContact CD2-CG 3.8Å; F596-F624 HydrophobicContact CD2-CG 3.8Å; F596-F624 HydrophobicContact CE2-CB 4.4Å; F596-F624 HydrophobicContact CG-CD1 4.41Å; F596-F624 HydrophobicContact CG-CD2 4.11Å; F596-F624 HydrophobicContact CG-CE2 4.32Å; F596-F624 HydrophobicContact CG-CG 4.15Å; L620-F624 HydrophobicContact CD1-CD2 4.12Å; L620-F624 HydrophobicContact CD1-CE2 3.69Å; L620-F624 HydrophobicContact CD2-CE2 4.43Å; L620-F624 HydrophobicContact CG-CD2 4.02Å; L620-F624 HydrophobicContact CG-CE2 3.87Å; L620-F624 WeakPolarHBondContact O-CD2 3.46Å; L620-F624 PolarHBondContact O-N 3.44Å; L620-F624 VanDerWaalsContact O-N 3.08Å; F621-F624 PolarHBondContact O-N 3.43Å; F624-R626 PolarHBondContact O-N 3.07Å; F624-Q627 PolarHBondContact O-N 2.86Å; F624-C628 PolarHBondContact O-N 3.24Å; F624-V632 HydrophobicContact CB-CG2 3.65Å
625A84.7Confident84.3Confident0 Ų029.3 Ų29.30%014%0.135CC..Hα-helixtrans-63.2-25.8-17800000112.8F621 A622 Q627 A629 V632 L675 N678 L679F621-A625 VanDerWaalsContact O-CB 3.28Å; F621-A625 WeakPolarHBondContact O-CB 3.43Å; F621-A625 PolarHBondContact O-N 2.83Å; A622-A625 PolarHBondContact O-N 3.48Å; A625-Q627 PolarHBondContact O-N 3.27Å; A625-A629 WeakPolarHBondContact O-CA 3.48Å; A625-A629 WeakPolarHBondContact O-CB 3.48Å; A625-A629 PolarHBondContact O-N 3.4Å; A625-V632 HydrophobicContact CB-CG1 4.27Å; A625-L675 HydrophobicContact CB-CD1 3.76Å; A625-N678 HydrophobicContact CB-CB 4.08Å; A625-L679 HydrophobicContact CB-CD2 4.18Å; A625-L679 HydrophobicContact CB-CG 4.46Å
626R82.3Confident84Confident191 Ų19129.1 Ų29.172%0.72113%0.134SC*.Hα-helixtrans-60.2-26.2177.7-170175.4-178.4173.51.4113.4A622 A623 F624A622-R626 PolarHBondContact O-N 2.85Å; A623-R626 PolarHBondContact O-N 3.23Å; F624-R626 PolarHBondContact O-N 3.07Å
627Q81.1Confident83.7Confident82 Ų8230.6 Ų30.638%0.38314%0.141SC..Hα-helixtrans-121.6-38.1-177-67.1171.537.300112.8A586 I589 F624 A625A586-Q627 PolarHBondContact O-OE1 3.13Å; A586-Q627 VanDerWaalsContact O-OE1 3.05Å; I589-Q627 HydrophobicContact CD1-CB 3.62Å; I589-Q627 HydrophobicContact CD1-CG 4.34Å; I589-Q627 VanDerWaalsContact CD1-OE1 3.31Å; F624-Q627 PolarHBondContact O-N 2.86Å; A625-Q627 PolarHBondContact O-N 3.27Å
628C81.9Confident83.1Confident28 Ų2839 Ų3919%0.18918%0.178CC..Hα-helixtrans-116.544.2-176-62.30000112.2I589 F624 H630 Q631 V632I589-C628 HydrophobicContact CD1-CB 4.37Å; I589-C628 WeakPolarHBondContact CD1-SG 3.29Å; F624-C628 PolarHBondContact O-N 3.24Å; C628-H630 VanDerWaalsContact C-N 3.28Å; C628-H630 PolarHBondContact O-N 3.04Å; C628-Q631 HydrophobicContact CB-CB 4.4Å; C628-Q631 PolarHBondContact O-N 3.21Å; C628-Q631 VanDerWaalsContact O-N 3.16Å; C628-V632 WeakPolarHBondContact O-CG2 3.39Å; C628-V632 PolarHBondContact O-N 2.97Å
629A82.4Confident82.6Confident3 Ų340.4 Ų40.43%0.02519%0.189CC..Hα-helixtrans-49.3-44.2-176.200000113.8A625 V632 L633 L679 T682 L684A625-A629 WeakPolarHBondContact O-CA 3.48Å; A625-A629 WeakPolarHBondContact O-CB 3.48Å; A625-A629 PolarHBondContact O-N 3.4Å; A629-V632 PolarHBondContact O-N 3.32Å; A629-L633 VanDerWaalsContact O-CB 3.23Å; A629-L633 WeakPolarHBondContact O-CB 3.39Å; A629-L633 PolarHBondContact O-N 3.36Å; A629-L679 HydrophobicContact CB-CD2 4.23Å; A629-T682 HydrophobicContact CB-CG2 3.87Å; A629-L684 HydrophobicContact CB-CD2 3.97Å
630H82.2Confident81.6Confident68 Ų6838.8 Ų38.832%0.31519%0.19SC..Hα-helixtrans-60.4-49.9-179.8-177.6-69.1000112.4C628 L633 S634 L684 E685 Y688C628-H630 VanDerWaalsContact C-N 3.28Å; C628-H630 PolarHBondContact O-N 3.04Å; H630-L633 PolarHBondContact O-N 3.02Å; H630-S634 WeakPolarHBondContact O-CB 3.3Å; H630-S634 PolarHBondContact O-N 2.88Å; H630-L684 HydrophobicContact CB-CD2 4.17Å; H630-E685 IonicContact CD2-OE2 2.83Å; H630-E685 IonicContact CE1-OE2 3.85Å; H630-E685 IonicContact NE2-OE1 3.85Å; H630-E685 IonicContact NE2-OE2 2.82Å; H630-E685 PolarHBondContact NE2-OE2 3.22Å; H630-Y688 AromaticContact CD2-CE2 3.36Å; H630-Y688 WeakPolarHBondContact CD2-CE2 3.47Å; H630-Y688 AromaticContact CE1-CE2 3.69Å; H630-Y688 AromaticContact CE1-CZ 3.65Å; H630-Y688 PolarHBondContact CE1-OH 3.48Å; H630-Y688 AromaticContact CG-CE2 3.8Å; H630-Y688 AromaticContact ND1-CZ 3.89Å; H630-Y688 PolarHBondContact ND1-OH 3.43Å; H630-Y688 AromaticContact NE2-CE2 3.3Å; H630-Y688 VanDerWaalsContact NE2-CE2 3.3Å; H630-Y688 WeakPolarHBondContact NE2-CE2 3.38Å; H630-Y688 AromaticContact NE2-CZ 3.76Å; H630-Y688 PolarHBondContact NE2-OH 3.35Å
631Q82Confident80.7Confident81 Ų8138.8 Ų38.838%0.37919%0.19SC..Hα-helixtrans-66.7-45.3179.2-66.7177-400110.7Y593 C628 L633 S634 H635Y593-Q631 HydrophobicContact CE2-CB 4.29Å; Y593-Q631 PolarHBondContact OH-OE1 3.14Å; C628-Q631 HydrophobicContact CB-CB 4.4Å; C628-Q631 PolarHBondContact O-N 3.21Å; C628-Q631 VanDerWaalsContact O-N 3.16Å; Q631-L633 VanDerWaalsContact C-N 3.33Å; Q631-L633 PolarHBondContact O-N 2.96Å; Q631-S634 PolarHBondContact O-N 3.43Å; Q631-S634 PolarHBondContact O-OG 2.61Å; Q631-H635 PolarHBondContact O-CD2 3.23Å; Q631-H635 PolarHBondContact O-N 3.03Å
632V80.2Confident79.8Confident1 Ų138.9 Ų38.91%0.00619%0.191CC..Hα-helixtrans-57.2-49.7178.4173.10000110.3F596 F624 A625 C628 A629 S634 H635 L636F596-V632 HydrophobicContact CD2-CG2 4.45Å; F596-V632 HydrophobicContact CE1-CG2 4.25Å; F596-V632 HydrophobicContact CE2-CB 4.28Å; F596-V632 HydrophobicContact CE2-CG1 3.97Å; F596-V632 HydrophobicContact CE2-CG2 3.79Å; F596-V632 HydrophobicContact CZ-CB 3.91Å; F596-V632 HydrophobicContact CZ-CG1 3.88Å; F596-V632 HydrophobicContact CZ-CG2 3.71Å; F624-V632 HydrophobicContact CB-CG2 3.65Å; A625-V632 HydrophobicContact CB-CG1 4.27Å; C628-V632 WeakPolarHBondContact O-CG2 3.39Å; C628-V632 PolarHBondContact O-N 2.97Å; A629-V632 PolarHBondContact O-N 3.32Å; V632-S634 PolarHBondContact O-N 3.35Å; V632-H635 PolarHBondContact O-N 3.42Å; V632-L636 HydrophobicContact CG1-CD1 3.67Å; V632-L636 HydrophobicContact CG1-CG 4.19Å; V632-L636 WeakPolarHBondContact O-CB 3.32Å; V632-L636 VanDerWaalsContact O-CG 3.23Å; V632-L636 WeakPolarHBondContact O-CG 3.19Å; V632-L636 PolarHBondContact O-N 2.96Å
633L80.6Confident78.5Confident0 Ų044.7 Ų44.70%021%0.212CC..Hα-helixtrans-64.1-40.5-179.8-168.356.2000112A629 H630 Q631 H635 L636 I637 F642 L679 L684 Y688 A691 L692A629-L633 VanDerWaalsContact O-CB 3.23Å; A629-L633 WeakPolarHBondContact O-CB 3.39Å; A629-L633 PolarHBondContact O-N 3.36Å; H630-L633 PolarHBondContact O-N 3.02Å; Q631-L633 VanDerWaalsContact C-N 3.33Å; Q631-L633 PolarHBondContact O-N 2.96Å; L633-H635 PolarHBondContact O-N 3.37Å; L633-L636 PolarHBondContact O-N 2.92Å; L633-I637 HydrophobicContact CD1-CD1 4.41Å; L633-I637 HydrophobicContact CG-CD1 4.05Å; L633-I637 WeakPolarHBondContact O-CD1 3.25Å; L633-I637 WeakPolarHBondContact O-CG1 3.38Å; L633-I637 PolarHBondContact O-N 3.44Å; L633-F642 HydrophobicContact CD1-CD2 4.11Å; L633-F642 HydrophobicContact CD1-CE2 4.24Å; L633-L679 HydrophobicContact CB-CD2 4.24Å; L633-L679 HydrophobicContact CD1-CD1 4.26Å; L633-L684 HydrophobicContact CD2-CD1 3.73Å; L633-Y688 HydrophobicContact CB-CD1 4.27Å; L633-Y688 HydrophobicContact CD2-CD1 3.85Å; L633-Y688 HydrophobicContact CD2-CG 3.82Å; L633-Y688 HydrophobicContact CG-CD1 3.84Å; L633-Y688 HydrophobicContact CG-CG 4.33Å; L633-A691 HydrophobicContact CD1-CB 3.97Å; L633-A691 HydrophobicContact CG-CB 4.39Å; L633-L692 HydrophobicContact CD2-CD2 4.13Å; L633-L692 HydrophobicContact CD2-CG 4.26Å
634S82Confident77.3Confident17 Ų1748.3 Ų48.312%0.11923%0.228CC..Hα-helixtrans-58.4-47.9174.478.20000111.8H630 Q631 V632 L636 I637 F638H630-S634 WeakPolarHBondContact O-CB 3.3Å; H630-S634 PolarHBondContact O-N 2.88Å; Q631-S634 PolarHBondContact O-N 3.43Å; Q631-S634 PolarHBondContact O-OG 2.61Å; V632-S634 PolarHBondContact O-N 3.35Å; S634-L636 PolarHBondContact O-N 2.96Å; S634-I637 PolarHBondContact O-N 3.1Å; S634-F638 WeakPolarHBondContact O-CB 3.49Å; S634-F638 WeakPolarHBondContact O-CD2 3.45Å; S634-F638 WeakPolarHBondContact O-CG 3.33Å; S634-F638 PolarHBondContact O-N 3.48Å
635H81.1Confident75.8Confident51 Ų5151.1 Ų51.124%0.23625%0.248CC..Hα-helixtrans-67.5-36.5179.7-77.6-72000112.4Y593 F596 V600 Q631 V632 L633 F638 S639Y593-H635 AromaticContact CZ-NE2 3.92Å; Y593-H635 PolarHBondContact OH-CD2 2.94Å; Y593-H635 PolarHBondContact OH-NE2 3.14Å; F596-H635 HydrophobicContact CE1-CB 3.73Å; F596-H635 AromaticContact CE1-CD2 3.58Å; F596-H635 AromaticContact CE1-CG 3.82Å; F596-H635 HydrophobicContact CZ-CB 4.02Å; V600-H635 HydrophobicContact CG1-CB 4.4Å; V600-H635 HydrophobicContact CG2-CB 4.34Å; Q631-H635 PolarHBondContact O-CD2 3.23Å; Q631-H635 PolarHBondContact O-N 3.03Å; V632-H635 PolarHBondContact O-N 3.42Å; L633-H635 PolarHBondContact O-N 3.37Å; H635-F638 PolarHBondContact O-N 3.05Å; H635-S639 VanDerWaalsContact O-CB 3.23Å; H635-S639 WeakPolarHBondContact O-CB 3.35Å; H635-S639 PolarHBondContact O-N 2.86Å; H635-S639 PolarHBondContact O-OG 2.92Å
636L80.4Confident74.3Confident0 Ų056.4 Ų56.40%028%0.282CS..Hα-helixtrans-68-34.7175.8-67.3175.7000112.4F621 V632 L633 S634 S639 L641 F642 L675F621-L636 HydrophobicContact CD2-CD2 3.92Å; F621-L636 HydrophobicContact CE2-CD2 3.94Å; F621-L636 HydrophobicContact CG-CD2 4.33Å; F621-L636 HydrophobicContact CZ-CD2 4.34Å; V632-L636 HydrophobicContact CG1-CD1 3.67Å; V632-L636 HydrophobicContact CG1-CG 4.19Å; V632-L636 WeakPolarHBondContact O-CB 3.32Å; V632-L636 VanDerWaalsContact O-CG 3.23Å; V632-L636 WeakPolarHBondContact O-CG 3.19Å; V632-L636 PolarHBondContact O-N 2.96Å; L633-L636 PolarHBondContact O-N 2.92Å; S634-L636 PolarHBondContact O-N 2.96Å; L636-S639 WeakPolarHBondContact CA-OG 3.39Å; L636-S639 PolarHBondContact O-OG 3.21Å; L636-S639 VanDerWaalsContact O-OG 3.12Å; L636-L641 HydrophobicContact CD2-CB 4.44Å; L636-L641 HydrophobicContact CD2-CD1 3.55Å; L636-L641 PolarHBondContact O-N 3.22Å; L636-L641 VanDerWaalsContact O-N 3.16Å; L636-F642 HydrophobicContact CB-CD2 3.52Å; L636-F642 HydrophobicContact CB-CE2 3.83Å; L636-F642 HydrophobicContact CD1-CD2 4.09Å; L636-F642 HydrophobicContact CD1-CE2 3.46Å; L636-F642 VanDerWaalsContact CD1-CE2 3.46Å; L636-F642 HydrophobicContact CD1-CZ 4.34Å; L636-F642 HydrophobicContact CG-CD2 4.41Å; L636-F642 HydrophobicContact CG-CE2 4.23Å; L636-F642 PolarHBondContact O-N 3.38Å; L636-L675 HydrophobicContact CD1-CD2 4.26Å
637I77.9Confident72.8Confident37 Ų3756.3 Ų56.319%0.1929%0.29CS..Hα-helixtrans-70.5-49.3172.3-64.9161.4000110.2L633 S634 S639 G640 L644 Y688 A691L633-I637 HydrophobicContact CD1-CD1 4.41Å; L633-I637 HydrophobicContact CG-CD1 4.05Å; L633-I637 WeakPolarHBondContact O-CD1 3.25Å; L633-I637 WeakPolarHBondContact O-CG1 3.38Å; L633-I637 PolarHBondContact O-N 3.44Å; S634-I637 PolarHBondContact O-N 3.1Å; I637-S639 VanDerWaalsContact C-N 3.29Å; I637-S639 PolarHBondContact O-N 3.3Å; I637-G640 PolarHBondContact O-N 3.15Å; I637-L644 HydrophobicContact CG2-CD1 4.28Å; I637-L644 HydrophobicContact CG2-CG 4.4Å; I637-Y688 HydrophobicContact CD1-CD1 3.75Å; I637-Y688 HydrophobicContact CD1-CE1 4.21Å; I637-A691 HydrophobicContact CD1-CB 3.6Å; I637-A691 HydrophobicContact CG1-CB 3.87Å
638F74.6Confident71.4Confident176 Ų17653.9 Ų53.977%0.77228%0.282SS*.Hα-helixtrans-65.1-31.3-177.7-77.5-59.9000113.3S634 H635 G640S634-F638 WeakPolarHBondContact O-CB 3.49Å; S634-F638 WeakPolarHBondContact O-CD2 3.45Å; S634-F638 WeakPolarHBondContact O-CG 3.33Å; S634-F638 PolarHBondContact O-N 3.48Å; H635-F638 PolarHBondContact O-N 3.05Å; F638-G640 PolarHBondContact O-N 3.44Å
639S75.1Confident70.2Confident31 Ų3155.7 Ų55.722%0.21730%0.295CS..THydrogen-bonded Turntrans-76.8-7.4174.455.50000113.8V600 H635 L636 I637 L641V600-S639 VanDerWaalsContact CG1-CB 3.45Å; V600-S639 WeakPolarHBondContact CG1-OG 3.43Å; H635-S639 VanDerWaalsContact O-CB 3.23Å; H635-S639 WeakPolarHBondContact O-CB 3.35Å; H635-S639 PolarHBondContact O-N 2.86Å; H635-S639 PolarHBondContact O-OG 2.92Å; L636-S639 WeakPolarHBondContact CA-OG 3.39Å; L636-S639 PolarHBondContact O-OG 3.21Å; L636-S639 VanDerWaalsContact O-OG 3.12Å; I637-S639 VanDerWaalsContact C-N 3.29Å; I637-S639 PolarHBondContact O-N 3.3Å; S639-L641 VanDerWaalsContact C-N 3.25Å; S639-L641 PolarHBondContact O-N 3.34Å; S639-L641 WeakPolarHBondContact OG-CD1 2.94Å; S639-L641 WeakPolarHBondContact OG-CG 3.36Å
640G67.6Low69.6Low26 Ų2655.6 Ų55.627%0.26829%0.294SS..THydrogen-bonded Turntrans73.214.4-179.200000114.4I637 F638I637-G640 PolarHBondContact O-N 3.15Å; F638-G640 PolarHBondContact O-N 3.44Å
641L69.8Low69.3Low0 Ų054.5 Ų54.50%029%0.29CS..SBendtrans-71.9-36.5174.6-65.2171.9000111.5V600 F603 F621 L636 S639 I651 Y652V600-L641 HydrophobicContact CG1-CD1 4.45Å; F603-L641 HydrophobicContact CD1-CD1 3.56Å; F603-L641 HydrophobicContact CD1-CD2 3.31Å; F603-L641 HydrophobicContact CD1-CG 4.04Å; F603-L641 HydrophobicContact CE1-CD1 4.24Å; F603-L641 HydrophobicContact CE1-CD2 3.57Å; F603-L641 HydrophobicContact CE1-CG 4.45Å; F603-L641 HydrophobicContact CG-CD2 4.4Å; F621-L641 HydrophobicContact CE2-CD1 4.36Å; L636-L641 HydrophobicContact CD2-CB 4.44Å; L636-L641 HydrophobicContact CD2-CD1 3.55Å; L636-L641 PolarHBondContact O-N 3.22Å; L636-L641 VanDerWaalsContact O-N 3.16Å; S639-L641 VanDerWaalsContact C-N 3.25Å; S639-L641 PolarHBondContact O-N 3.34Å; S639-L641 WeakPolarHBondContact OG-CD1 2.94Å; S639-L641 WeakPolarHBondContact OG-CG 3.36Å; L641-I651 HydrophobicContact CD2-CD1 3.96Å; L641-Y652 HydrophobicContact CB-CE2 4.14Å
642F69.4Low69.1Low2 Ų250.6 Ų50.61%0.00927%0.272CS..SBendtrans-106.2115.4163-67.1-49.7000109.2L633 L636 Y652 Y672 L675 C695L633-F642 HydrophobicContact CD1-CD2 4.11Å; L633-F642 HydrophobicContact CD1-CE2 4.24Å; L636-F642 HydrophobicContact CB-CD2 3.52Å; L636-F642 HydrophobicContact CB-CE2 3.83Å; L636-F642 HydrophobicContact CD1-CD2 4.09Å; L636-F642 HydrophobicContact CD1-CE2 3.46Å; L636-F642 VanDerWaalsContact CD1-CE2 3.46Å; L636-F642 HydrophobicContact CD1-CZ 4.34Å; L636-F642 HydrophobicContact CG-CD2 4.41Å; L636-F642 HydrophobicContact CG-CE2 4.23Å; L636-F642 PolarHBondContact O-N 3.38Å; F642-Y652 HydrophobicContact CD1-CD2 4.22Å; F642-Y652 AromaticContact CE1-CD2 3.82Å; F642-Y652 HydrophobicContact CE1-CD2 3.82Å; F642-Y652 HydrophobicContact CE1-CE2 4.12Å; F642-Y652 HydrophobicContact CZ-CD2 4.43Å; F642-Y652 HydrophobicContact CZ-CE2 4.28Å; F642-Y672 HydrophobicContact CE1-CE2 4.25Å; F642-L675 HydrophobicContact CZ-CD2 4.26Å; F642-C695 WeakPolarHBondContact CE1-SG 3.49Å; F642-C695 WeakPolarHBondContact CZ-SG 3.37Å
643R61.1Low68.8Low128 Ų12850.8 Ų50.848%0.48327%0.273SS..  trans-95.2128.5170.7-56.5-178.3172.6-178.50.6108.7S645 S648 D650 H694R643-S645 PolarHBondContact O-N 3.48Å; R643-S648 VanDerWaalsContact CD-OG 3.25Å; R643-S648 WeakPolarHBondContact CD-OG 3.35Å; R643-D650 WeakPolarHBondContact CB-OD1 3.36Å; R643-D650 WeakPolarHBondContact CD-OD1 3.19Å; R643-D650 VanDerWaalsContact CG-OD1 3.31Å; R643-D650 WeakPolarHBondContact CG-OD1 3.35Å; R643-D650 PolarHBondContact N-OD2 3.43Å; R643-H694 PolarHBondContact O-ND1 3.37Å
644L59.9Low68.7Low92 Ų9255.8 Ų55.848%0.48230%0.296SS..SBendtrans-66.2-9.6-179.2-60.3172.1000113.1I637 A690 A691I637-L644 HydrophobicContact CG2-CD1 4.28Å; I637-L644 HydrophobicContact CG2-CG 4.4Å; L644-A690 HydrophobicContact CD2-CB 3.93Å; L644-A691 HydrophobicContact CD2-CB 3.78Å
645S55.9Low68.5Low59 Ų5955.5 Ų55.541%0.41329%0.294SS..  trans-94.9122.4178.261.50000111.9R643 E647 S648R643-S645 PolarHBondContact O-N 3.48Å; S645-E647 PolarHBondContact O-N 3.37Å; S645-E647 VanDerWaalsContact O-N 3.11Å; S645-S648 PolarHBondContact O-OG 3.5Å; S645-S648 PolarHBondContact OG-OG 3.2Å; S645-S648 VanDerWaalsContact OG-OG 3.11Å
646P52.7Low68.4Low111 Ų11153 Ų5372%0.72128%0.282SS*.THydrogen-bonded Turntrans-66.8-11.6-17926.2-34000114.8
647E51.5Low68.2Low189 Ų18955.4 Ų55.488%0.88330%0.302SS*.THydrogen-bonded Turntrans-90.4-16.2-174.4-63-174.6170.400114.5S645S645-E647 PolarHBondContact O-N 3.37Å; S645-E647 VanDerWaalsContact O-N 3.11Å
648S51.3Low68.3Low31 Ų3158.6 Ų58.622%0.21731%0.314CS..SBendtrans-93.2136.9179.957.80000111.7R643 S645 D650R643-S648 VanDerWaalsContact CD-OG 3.25Å; R643-S648 WeakPolarHBondContact CD-OG 3.35Å; S645-S648 PolarHBondContact O-OG 3.5Å; S645-S648 PolarHBondContact OG-OG 3.2Å; S645-S648 VanDerWaalsContact OG-OG 3.11Å; S648-D650 PolarHBondContact O-N 3.07Å
649S57.4Low68.5Low67 Ų6750.2 Ų50.247%0.46928%0.278SS..  trans-66.9106.2171.973.70000109.8Q654S649-Q654 PolarHBondContact OG-NE2 2.89Å
650D69.2Low68.5Low1 Ų150 Ų501%0.00527%0.274CS..  trans-71.1153.1171.4-75.312.5000110.5R643 S648 Y652 S653 Q654 H694R643-D650 WeakPolarHBondContact CB-OD1 3.36Å; R643-D650 WeakPolarHBondContact CD-OD1 3.19Å; R643-D650 VanDerWaalsContact CG-OD1 3.31Å; R643-D650 WeakPolarHBondContact CG-OD1 3.35Å; R643-D650 PolarHBondContact N-OD2 3.43Å; S648-D650 PolarHBondContact O-N 3.07Å; D650-Y652 VanDerWaalsContact C-N 3.27Å; D650-Y652 PolarHBondContact O-N 3.35Å; D650-S653 PolarHBondContact N-OG 3.22Å; D650-S653 VanDerWaalsContact N-OG 3.15Å; D650-S653 WeakPolarHBondContact O-CA 3.4Å; D650-S653 VanDerWaalsContact O-CB 3.27Å; D650-S653 WeakPolarHBondContact O-CB 3.5Å; D650-S653 PolarHBondContact O-N 3.13Å; D650-S653 PolarHBondContact O-OG 2.69Å; D650-Q654 PolarHBondContact O-N 3.27Å; D650-Q654 VanDerWaalsContact O-N 3.12Å; D650-H694 IonicContact OD2-CD2 3.28Å; D650-H694 IonicContact OD2-CE1 2.79Å; D650-H694 IonicContact OD2-NE2 3.69Å; D650-H694 PolarHBondContact OD2-NE2 2.96Å
651I74.9Confident68.8Low44 Ų4456.4 Ų56.423%0.22630%0.296CS..Hα-helixtrans-56.1-45.9178-66.7165.9000109.6F603 L641 S653 Q654 L655F603-I651 HydrophobicContact CZ-CG2 4.45Å; L641-I651 HydrophobicContact CD2-CD1 3.96Å; I651-S653 PolarHBondContact O-N 3.43Å; I651-Q654 PolarHBondContact O-N 2.97Å; I651-L655 HydrophobicContact CG2-CD1 3.8Å; I651-L655 HydrophobicContact CG2-CG 4.3Å; I651-L655 WeakPolarHBondContact O-CG 3.47Å; I651-L655 PolarHBondContact O-N 3.46Å
652Y77.8Confident69Low0 Ų059.6 Ų59.60%031%0.313CS..Hα-helixtrans-56.8-37173.6-80.6-68.2000112.6F603 T618 F621 L641 F642 D650 Q654 L655 I656 F668 Y672F603-Y652 HydrophobicContact CE1-CE2 4.29Å; F603-Y652 AromaticContact CE1-CZ 3.98Å; T618-Y652 HydrophobicContact CG2-CE1 4.16Å; F621-Y652 WeakPolarHBondContact CD2-OH 3.5Å; L641-Y652 HydrophobicContact CB-CE2 4.14Å; F642-Y652 HydrophobicContact CD1-CD2 4.22Å; F642-Y652 AromaticContact CE1-CD2 3.82Å; F642-Y652 HydrophobicContact CE1-CD2 3.82Å; F642-Y652 HydrophobicContact CE1-CE2 4.12Å; F642-Y652 HydrophobicContact CZ-CD2 4.43Å; F642-Y652 HydrophobicContact CZ-CE2 4.28Å; D650-Y652 VanDerWaalsContact C-N 3.27Å; D650-Y652 PolarHBondContact O-N 3.35Å; Y652-Q654 VanDerWaalsContact C-N 3.34Å; Y652-Q654 PolarHBondContact O-N 3.29Å; Y652-L655 PolarHBondContact O-N 3.12Å; Y652-I656 WeakPolarHBondContact O-CB 3.28Å; Y652-I656 WeakPolarHBondContact O-CD1 3.36Å; Y652-I656 WeakPolarHBondContact O-CG1 3.49Å; Y652-I656 PolarHBondContact O-N 2.85Å; Y652-F668 HydrophobicContact CD1-CE2 4.46Å; Y652-F668 AromaticContact CD1-CZ 3.86Å; Y652-F668 HydrophobicContact CD1-CZ 3.86Å; Y652-F668 HydrophobicContact CE1-CE2 4.3Å; Y652-F668 HydrophobicContact CE1-CZ 4.15Å; Y652-Y672 AromaticContact CD1-CD2 3.43Å; Y652-Y672 HydrophobicContact CD1-CD2 3.43Å; Y652-Y672 VanDerWaalsContact CD1-CD2 3.43Å; Y652-Y672 AromaticContact CD1-CE2 3.64Å; Y652-Y672 HydrophobicContact CD1-CE2 3.64Å; Y652-Y672 HydrophobicContact CD2-CE2 4.44Å; Y652-Y672 AromaticContact CE1-CD2 3.75Å; Y652-Y672 HydrophobicContact CE1-CD2 3.75Å; Y652-Y672 HydrophobicContact CE1-CE2 4.21Å; Y652-Y672 HydrophobicContact CG-CD2 4.1Å; Y652-Y672 AromaticContact CG-CE2 3.8Å; Y652-Y672 HydrophobicContact CG-CE2 3.8Å
653S75.3Confident68.9Low4 Ų466.1 Ų66.13%0.02834%0.344CS..Hα-helixtrans-70.5-31.6-178.193.60000113.1D650 I651 A657 K702D650-S653 PolarHBondContact N-OG 3.22Å; D650-S653 VanDerWaalsContact N-OG 3.15Å; D650-S653 WeakPolarHBondContact O-CA 3.4Å; D650-S653 VanDerWaalsContact O-CB 3.27Å; D650-S653 WeakPolarHBondContact O-CB 3.5Å; D650-S653 PolarHBondContact O-N 3.13Å; D650-S653 PolarHBondContact O-OG 2.69Å; I651-S653 PolarHBondContact O-N 3.43Å; S653-A657 PolarHBondContact O-N 3.24Å; S653-K702 PolarHBondContact OG-NZ 3.15Å
654Q77.2Confident69.3Low105 Ų10566.9 Ų66.949%0.49135%0.353SS..Hα-helixtrans-75.5-41171.9-63.91792.900111S649 D650 I651 Y652 A657 K658S649-Q654 PolarHBondContact OG-NE2 2.89Å; D650-Q654 PolarHBondContact O-N 3.27Å; D650-Q654 VanDerWaalsContact O-N 3.12Å; I651-Q654 PolarHBondContact O-N 2.97Å; Y652-Q654 VanDerWaalsContact C-N 3.34Å; Y652-Q654 PolarHBondContact O-N 3.29Å; Q654-A657 PolarHBondContact O-N 3.15Å; Q654-K658 PolarHBondContact O-N 3.32Å
655L77.8Confident70Confident11 Ų1162.5 Ų62.56%0.05833%0.33CS..Hα-helixtrans-65.4-39.4177.6-69.1171.9000112.6F603 P609 I651 Y652 K658 A659 F668F603-L655 HydrophobicContact CZ-CD1 3.99Å; P609-L655 HydrophobicContact CG-CD1 4.05Å; P609-L655 HydrophobicContact CG-CD2 4.03Å; I651-L655 HydrophobicContact CG2-CD1 3.8Å; I651-L655 HydrophobicContact CG2-CG 4.3Å; I651-L655 WeakPolarHBondContact O-CG 3.47Å; I651-L655 PolarHBondContact O-N 3.46Å; Y652-L655 PolarHBondContact O-N 3.12Å; L655-K658 PolarHBondContact O-N 3.3Å; L655-A659 WeakPolarHBondContact O-CB 3.3Å; L655-A659 PolarHBondContact O-N 3.16Å; L655-F668 HydrophobicContact CB-CE1 3.57Å; L655-F668 HydrophobicContact CB-CE2 4.29Å; L655-F668 HydrophobicContact CB-CZ 3.42Å; L655-F668 VanDerWaalsContact CB-CZ 3.42Å; L655-F668 HydrophobicContact CD1-CE2 4.05Å; L655-F668 HydrophobicContact CD1-CZ 3.81Å; L655-F668 HydrophobicContact CG-CZ 4.25Å
656I79.2Confident71.1Confident0 Ų061.8 Ų61.80%032%0.32CS..Hα-helixtrans-62.7-44.3174.1-69.6163.5000110Y652 K658 A659 L660 F668 L669 Y672 L698 K702 L703Y652-I656 WeakPolarHBondContact O-CB 3.28Å; Y652-I656 WeakPolarHBondContact O-CD1 3.36Å; Y652-I656 WeakPolarHBondContact O-CG1 3.49Å; Y652-I656 PolarHBondContact O-N 2.85Å; I656-K658 VanDerWaalsContact C-N 3.3Å; I656-K658 PolarHBondContact O-N 3.07Å; I656-A659 PolarHBondContact O-N 3.15Å; I656-L660 HydrophobicContact CG2-CD1 4.03Å; I656-L660 HydrophobicContact CG2-CG 4.44Å; I656-L660 VanDerWaalsContact O-CG 3.28Å; I656-L660 WeakPolarHBondContact O-CG 3.34Å; I656-L660 PolarHBondContact O-N 3.19Å; I656-F668 HydrophobicContact CG1-CE1 4.08Å; I656-L669 HydrophobicContact CB-CD2 4.41Å; I656-L669 HydrophobicContact CG1-CD2 4.24Å; I656-L669 HydrophobicContact CG2-CD2 4.02Å; I656-Y672 HydrophobicContact CD1-CD1 3.98Å; I656-Y672 HydrophobicContact CD1-CE1 3.72Å; I656-Y672 HydrophobicContact CD1-CE2 4.45Å; I656-Y672 HydrophobicContact CD1-CG 4.47Å; I656-L698 HydrophobicContact CD1-CB 4.49Å; I656-K702 HydrophobicContact CG2-CB 4.4Å; I656-L703 HydrophobicContact CG2-CB 4.39Å
657A76.8Confident72.4Confident49 Ų4961.2 Ų61.241%0.40531%0.308SS..Hα-helixtrans-61-40.317700000111.9S653 Q654 H661S653-A657 PolarHBondContact O-N 3.24Å; Q654-A657 PolarHBondContact O-N 3.15Å; A657-H661 PolarHBondContact O-CD2 3.42Å
658K80Confident74.1Confident105 Ų10552.2 Ų52.246%0.45727%0.266SS..Hα-helixtrans-66.5-46.1174.4-173.5174.2179.9178.30112.1Q654 L655 I656 L660 H661 D662Q654-K658 PolarHBondContact O-N 3.32Å; L655-K658 PolarHBondContact O-N 3.3Å; I656-K658 VanDerWaalsContact C-N 3.3Å; I656-K658 PolarHBondContact O-N 3.07Å; K658-L660 VanDerWaalsContact C-N 3.26Å; K658-L660 PolarHBondContact O-N 3.09Å; K658-H661 PolarHBondContact O-N 2.95Å; K658-H661 VanDerWaalsContact O-N 3.08Å; K658-D662 VanDerWaalsContact CE-OD2 3.27Å; K658-D662 WeakPolarHBondContact CE-OD2 3.49Å; K658-D662 WeakPolarHBondContact CG-OD2 3.4Å; K658-D662 PolarHBondContact O-N 3.09Å
659A78.9Confident75.6Confident0 Ų050.8 Ų50.80%026%0.256CS..Hα-helixtrans-66.2-23.5-178.200000114L611 L655 I656 H661 F668 L669L611-A659 HydrophobicContact CD1-CB 4.03Å; L655-A659 WeakPolarHBondContact O-CB 3.3Å; L655-A659 PolarHBondContact O-N 3.16Å; I656-A659 PolarHBondContact O-N 3.15Å; A659-H661 VanDerWaalsContact C-N 3.3Å; A659-F668 HydrophobicContact CB-CD1 3.73Å; A659-F668 HydrophobicContact CB-CE1 4.5Å; A659-L669 HydrophobicContact CB-CD1 4.14Å; A659-L669 HydrophobicContact CB-CD2 4.05Å; A659-L669 HydrophobicContact CB-CG 3.85Å
660L74.4Confident77Confident26 Ų2648.4 Ų48.414%0.13624%0.24CC..THydrogen-bonded Turntrans-73.8-21.4174-74.6165.6000113.2I656 K658 L669 W710I656-L660 HydrophobicContact CG2-CD1 4.03Å; I656-L660 HydrophobicContact CG2-CG 4.44Å; I656-L660 VanDerWaalsContact O-CG 3.28Å; I656-L660 WeakPolarHBondContact O-CG 3.34Å; I656-L660 PolarHBondContact O-N 3.19Å; K658-L660 VanDerWaalsContact C-N 3.26Å; K658-L660 PolarHBondContact O-N 3.09Å; L660-L669 HydrophobicContact CD2-CD1 4.25Å; L660-W710 HydrophobicContact CD2-CZ2 4.01Å
661H74.1Confident77.7Confident161 Ų16148.6 Ų48.675%0.74524%0.242SC*.THydrogen-bonded Turntrans-100.2-31.1178.6-67.7-58.3000112.9A657 K658 A659A657-H661 PolarHBondContact O-CD2 3.42Å; K658-H661 PolarHBondContact O-N 2.95Å; K658-H661 VanDerWaalsContact O-N 3.08Å; A659-H661 VanDerWaalsContact C-N 3.3Å
662D73.4Confident78.3Confident66 Ų6646.5 Ų46.535%0.35323%0.231SC..SBendtrans-83.8130.5178.9-72.7-19.5000111.1L611 K658 E664 G665L611-D662 HydrophobicContact CD2-CB 4.17Å; K658-D662 VanDerWaalsContact CE-OD2 3.27Å; K658-D662 WeakPolarHBondContact CE-OD2 3.49Å; K658-D662 WeakPolarHBondContact CG-OD2 3.4Å; K658-D662 PolarHBondContact O-N 3.09Å; D662-E664 PolarHBondContact O-N 3.26Å; D662-G665 PolarHBondContact O-N 3.05Å
663E68.2Low78.7Confident139 Ų13946.5 Ų46.565%0.6523%0.231SC*.G310 helixtrans-59.8-28.2176.7-69.3-167-159.200113.1G665 R717E663-G665 PolarHBondContact O-N 2.73Å; E663-R717 IonicContact OE2-CZ 2.86Å; E663-R717 IonicContact OE2-NH1 3.54Å; E663-R717 PolarHBondContact OE2-NH1 2.89Å; E663-R717 IonicContact OE2-NH2 2.97Å; E663-R717 PolarHBondContact OE2-NH2 3Å
664E68.9Low79.3Confident144 Ų14449.7 Ų49.767%0.67325%0.246SC*.G310 helixtrans-79.8-4.2177.7-61.1-177.8175.700113.1L611 D662 E666L611-E664 HydrophobicContact CD2-CB 4.21Å; D662-E664 PolarHBondContact O-N 3.26Å; E664-E666 VanDerWaalsContact C-N 3.29Å; E664-E666 PolarHBondContact O-N 3.38Å
665G75.3Confident79.8Confident0 Ų044.7 Ų44.70%022%0.222CC..G310 helixtrans-74.9-12.5-176.100000115.7L611 D662 E663 E667 F668 L669L611-G665 VanDerWaalsContact CD2-CA 3.47Å; D662-G665 PolarHBondContact O-N 3.05Å; E663-G665 PolarHBondContact O-N 2.73Å; G665-E667 VanDerWaalsContact C-N 3.33Å; G665-E667 PolarHBondContact O-N 3.23Å; G665-F668 PolarHBondContact O-N 3.03Å; G665-L669 VanDerWaalsContact O-CG 3.3Å; G665-L669 WeakPolarHBondContact O-CG 3.39Å; G665-L669 PolarHBondContact O-N 3.43Å
666E78.2Confident80.1Confident44 Ų4444.2 Ų44.221%0.20622%0.22CC..Hα-helixtrans-54.2-48.4177.5-174.7-159.2135.200111.9E664 F668 L669 A670 R717 W718 V721E664-E666 VanDerWaalsContact C-N 3.29Å; E664-E666 PolarHBondContact O-N 3.38Å; E666-F668 VanDerWaalsContact C-N 3.29Å; E666-F668 PolarHBondContact O-N 3.48Å; E666-L669 PolarHBondContact O-N 2.92Å; E666-A670 WeakPolarHBondContact O-CB 3.35Å; E666-A670 PolarHBondContact O-N 3.34Å; E666-R717 WeakPolarHBondContact CG-O 3.46Å; E666-R717 VanDerWaalsContact OE2-C 3.32Å; E666-R717 WeakPolarHBondContact OE2-CA 3.5Å; E666-R717 WeakPolarHBondContact OE2-CB 3.4Å; E666-W718 HydrophobicContact CB-CZ3 4.36Å; E666-W718 HydrophobicContact CG-CE3 4.43Å; E666-V721 HydrophobicContact CG-CG2 3.83Å
667E80.9Confident80.4Confident100 Ų10044.8 Ų44.847%0.46722%0.223SC..Hα-helixtrans-63-37.5-177.1-70.4-161.5-171.100112.4T615 R619 G665 A671T615-E667 HydrophobicContact CG2-CB 3.78Å; R619-E667 IonicContact CZ-OE2 3.85Å; R619-E667 VanDerWaalsContact CZ-OE2 3.28Å; R619-E667 IonicContact NH1-OE2 3.76Å; R619-E667 PolarHBondContact NH1-OE2 3.02Å; R619-E667 VanDerWaalsContact NH2-CD 3.27Å; R619-E667 IonicContact NH2-OE2 3.48Å; R619-E667 PolarHBondContact NH2-OE2 3.31Å; G665-E667 VanDerWaalsContact C-N 3.33Å; G665-E667 PolarHBondContact O-N 3.23Å; E667-A671 WeakPolarHBondContact O-CB 3.47Å; E667-A671 PolarHBondContact O-N 3.16Å
668F86.3Confident80.8Confident0 Ų043.5 Ų43.50%021%0.209CC..Hα-helixtrans-67.3-46.5176.2175-103.9000111.1L611 T615 Y652 L655 I656 A659 G665 E666 A670 A671 Y672L611-F668 HydrophobicContact CD1-CB 3.6Å; L611-F668 HydrophobicContact CD1-CD1 4.09Å; L611-F668 HydrophobicContact CD1-CD2 4.37Å; L611-F668 HydrophobicContact CD1-CG 3.75Å; L611-F668 HydrophobicContact CG-CB 4.23Å; T615-F668 VanDerWaalsContact OG1-CA 3.3Å; T615-F668 WeakPolarHBondContact OG1-CA 3.29Å; T615-F668 VanDerWaalsContact OG1-CB 3.3Å; T615-F668 WeakPolarHBondContact OG1-CB 3.4Å; T615-F668 PolarHBondContact OG1-N 2.96Å; Y652-F668 HydrophobicContact CD1-CE2 4.46Å; Y652-F668 AromaticContact CD1-CZ 3.86Å; Y652-F668 HydrophobicContact CD1-CZ 3.86Å; Y652-F668 HydrophobicContact CE1-CE2 4.3Å; Y652-F668 HydrophobicContact CE1-CZ 4.15Å; L655-F668 HydrophobicContact CB-CE1 3.57Å; L655-F668 HydrophobicContact CB-CE2 4.29Å; L655-F668 HydrophobicContact CB-CZ 3.42Å; L655-F668 VanDerWaalsContact CB-CZ 3.42Å; L655-F668 HydrophobicContact CD1-CE2 4.05Å; L655-F668 HydrophobicContact CD1-CZ 3.81Å; L655-F668 HydrophobicContact CG-CZ 4.25Å; I656-F668 HydrophobicContact CG1-CE1 4.08Å; A659-F668 HydrophobicContact CB-CD1 3.73Å; A659-F668 HydrophobicContact CB-CE1 4.5Å; G665-F668 PolarHBondContact O-N 3.03Å; E666-F668 VanDerWaalsContact C-N 3.29Å; E666-F668 PolarHBondContact O-N 3.48Å; F668-A670 PolarHBondContact O-N 3.03Å; F668-A671 WeakPolarHBondContact O-CB 3.19Å; F668-A671 PolarHBondContact O-N 3.36Å; F668-Y672 WeakPolarHBondContact O-CB 3.38Å; F668-Y672 PolarHBondContact O-N 3.03Å
669L84.6Confident81Confident0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-63.6-42.2-179.7-67.4167.9000111.1I656 A659 L660 G665 E666 Y672 L673 L703 W718 V721I656-L669 HydrophobicContact CB-CD2 4.41Å; I656-L669 HydrophobicContact CG1-CD2 4.24Å; I656-L669 HydrophobicContact CG2-CD2 4.02Å; A659-L669 HydrophobicContact CB-CD1 4.14Å; A659-L669 HydrophobicContact CB-CD2 4.05Å; A659-L669 HydrophobicContact CB-CG 3.85Å; L660-L669 HydrophobicContact CD2-CD1 4.25Å; G665-L669 VanDerWaalsContact O-CG 3.3Å; G665-L669 WeakPolarHBondContact O-CG 3.39Å; G665-L669 PolarHBondContact O-N 3.43Å; E666-L669 PolarHBondContact O-N 2.92Å; L669-Y672 PolarHBondContact O-N 3.5Å; L669-L673 WeakPolarHBondContact O-CB 3.26Å; L669-L673 WeakPolarHBondContact O-CG 3.49Å; L669-L673 PolarHBondContact O-N 3.31Å; L669-L703 HydrophobicContact CB-CD1 4.34Å; L669-L703 HydrophobicContact CD2-CD1 3.66Å; L669-L703 HydrophobicContact CD2-CG 4.33Å; L669-W718 HydrophobicContact CD1-CH2 4.37Å; L669-W718 HydrophobicContact CD1-CZ3 3.85Å; L669-V721 HydrophobicContact CB-CG1 4.1Å; L669-V721 HydrophobicContact CB-CG2 4.2Å
670A85.1Confident80.9Confident17 Ų1740.3 Ų40.314%0.1420%0.197CC..Hα-helixtrans-60.8-45173.800000111.5E666 F668 Y672 L673 Q674 V721 L724E666-A670 WeakPolarHBondContact O-CB 3.35Å; E666-A670 PolarHBondContact O-N 3.34Å; F668-A670 PolarHBondContact O-N 3.03Å; A670-Y672 PolarHBondContact O-N 3.02Å; A670-L673 PolarHBondContact O-N 2.76Å; A670-Q674 WeakPolarHBondContact O-CB 3.43Å; A670-Q674 PolarHBondContact O-N 3.26Å; A670-V721 HydrophobicContact CB-CG2 4.1Å; A670-L724 HydrophobicContact CB-CD1 4.32Å; A670-L724 WeakPolarHBondContact O-CD1 3.47Å
671A85.2Confident81.2Confident5 Ų543.9 Ų43.94%0.04122%0.216CC..Hα-helixtrans-61.9-43.2177.200000112.7T615 T618 R619 E667 F668 Q674 L675T615-A671 HydrophobicContact CG2-CB 4.5Å; T618-A671 HydrophobicContact CG2-CB 4.07Å; R619-A671 HydrophobicContact CB-CB 4.43Å; R619-A671 HydrophobicContact CG-CB 3.46Å; R619-A671 VanDerWaalsContact CG-CB 3.46Å; E667-A671 WeakPolarHBondContact O-CB 3.47Å; E667-A671 PolarHBondContact O-N 3.16Å; F668-A671 WeakPolarHBondContact O-CB 3.19Å; F668-A671 PolarHBondContact O-N 3.36Å; A671-Q674 PolarHBondContact O-N 3.15Å; A671-L675 PolarHBondContact O-N 2.6Å
672Y87.5Confident81.3Confident0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-66.1-43.9178.2178-97.6000112.3F642 Y652 I656 F668 L669 A670 Q674 L675 C676 C695 A699F642-Y672 HydrophobicContact CE1-CE2 4.25Å; Y652-Y672 AromaticContact CD1-CD2 3.43Å; Y652-Y672 HydrophobicContact CD1-CD2 3.43Å; Y652-Y672 VanDerWaalsContact CD1-CD2 3.43Å; Y652-Y672 AromaticContact CD1-CE2 3.64Å; Y652-Y672 HydrophobicContact CD1-CE2 3.64Å; Y652-Y672 HydrophobicContact CD2-CE2 4.44Å; Y652-Y672 AromaticContact CE1-CD2 3.75Å; Y652-Y672 HydrophobicContact CE1-CD2 3.75Å; Y652-Y672 HydrophobicContact CE1-CE2 4.21Å; Y652-Y672 HydrophobicContact CG-CD2 4.1Å; Y652-Y672 AromaticContact CG-CE2 3.8Å; Y652-Y672 HydrophobicContact CG-CE2 3.8Å; I656-Y672 HydrophobicContact CD1-CD1 3.98Å; I656-Y672 HydrophobicContact CD1-CE1 3.72Å; I656-Y672 HydrophobicContact CD1-CE2 4.45Å; I656-Y672 HydrophobicContact CD1-CG 4.47Å; F668-Y672 WeakPolarHBondContact O-CB 3.38Å; F668-Y672 PolarHBondContact O-N 3.03Å; L669-Y672 PolarHBondContact O-N 3.5Å; A670-Y672 PolarHBondContact O-N 3.02Å; Y672-Q674 VanDerWaalsContact C-N 3.34Å; Y672-L675 WeakPolarHBondContact O-CB 3.49Å; Y672-L675 PolarHBondContact O-N 3.13Å; Y672-C676 VanDerWaalsContact CE1-SG 3.57Å; Y672-C676 PolarHBondContact O-N 3.24Å; Y672-C676 PolarHBondContact O-SG 3.25Å; Y672-C695 PolarHBondContact OH-O 3Å; Y672-A699 HydrophobicContact CE1-CB 4.49Å
673L86.5Confident81.2Confident1 Ų141.6 Ų41.61%0.00522%0.219CC..Hα-helixtrans-65.8-37.7176.3-71.4170.6000111.6L669 A670 L675 C676 V677 A699 L703 V721 L724 V728L669-L673 WeakPolarHBondContact O-CB 3.26Å; L669-L673 WeakPolarHBondContact O-CG 3.49Å; L669-L673 PolarHBondContact O-N 3.31Å; A670-L673 PolarHBondContact O-N 2.76Å; L673-L675 VanDerWaalsContact C-N 3.32Å; L673-L675 PolarHBondContact O-N 3.13Å; L673-C676 WeakPolarHBondContact O-CB 3.3Å; L673-C676 PolarHBondContact O-N 3.23Å; L673-C676 VanDerWaalsContact O-N 3.13Å; L673-V677 WeakPolarHBondContact O-CG2 3.45Å; L673-V677 PolarHBondContact O-N 3.05Å; L673-A699 HydrophobicContact CD2-CB 4.11Å; L673-L703 HydrophobicContact CD1-CD1 3.82Å; L673-L703 HydrophobicContact CD1-CD2 4.25Å; L673-L703 HydrophobicContact CD2-CD1 3.94Å; L673-L703 HydrophobicContact CG-CD1 3.85Å; L673-V721 HydrophobicContact CD1-CB 4.46Å; L673-V721 HydrophobicContact CD1-CG1 3.65Å; L673-V721 WeakPolarHBondContact CD1-O 3.23Å; L673-L724 HydrophobicContact CB-CB 3.59Å; L673-L724 HydrophobicContact CB-CD1 4.21Å; L673-L724 HydrophobicContact CD1-CB 4.05Å; L673-L724 HydrophobicContact CG-CB 4.45Å; L673-V728 HydrophobicContact CD2-CG2 4.23Å
674Q87.8Confident81.1Confident71 Ų7136.5 Ų36.533%0.33220%0.196SC..Hα-helixtrans-62.1-40.2174.3-17263.755.300111.9A622 A670 A671 Y672 C676 V677 N678 L724A622-Q674 HydrophobicContact CB-CB 4.34Å; A622-Q674 HydrophobicContact CB-CG 4.16Å; A670-Q674 WeakPolarHBondContact O-CB 3.43Å; A670-Q674 PolarHBondContact O-N 3.26Å; A671-Q674 PolarHBondContact O-N 3.15Å; Y672-Q674 VanDerWaalsContact C-N 3.34Å; Q674-C676 VanDerWaalsContact C-N 3.34Å; Q674-V677 PolarHBondContact O-N 3.44Å; Q674-N678 PolarHBondContact NE2-OD1 3.31Å; Q674-N678 VanDerWaalsContact O-CG 3.24Å; Q674-N678 PolarHBondContact O-N 3.41Å; Q674-N678 PolarHBondContact O-OD1 3.23Å; Q674-L724 HydrophobicContact CB-CD1 4.29Å; Q674-L724 VanDerWaalsContact OE1-CD2 3.25Å
675L86.4Confident81Confident0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-59.3-45.5171.9176.363.7000110.9T618 F621 A622 A625 L636 F642 A671 Y672 L673 N678 L679T618-L675 HydrophobicContact CG2-CB 4.46Å; T618-L675 HydrophobicContact CG2-CD2 4.25Å; F621-L675 HydrophobicContact CB-CD1 4.14Å; F621-L675 HydrophobicContact CB-CD2 4.34Å; A622-L675 HydrophobicContact CB-CB 4.03Å; A625-L675 HydrophobicContact CB-CD1 3.76Å; L636-L675 HydrophobicContact CD1-CD2 4.26Å; F642-L675 HydrophobicContact CZ-CD2 4.26Å; A671-L675 PolarHBondContact O-N 2.6Å; Y672-L675 WeakPolarHBondContact O-CB 3.49Å; Y672-L675 PolarHBondContact O-N 3.13Å; L673-L675 VanDerWaalsContact C-N 3.32Å; L673-L675 PolarHBondContact O-N 3.13Å; L675-N678 PolarHBondContact O-N 2.92Å; L675-L679 HydrophobicContact CD1-CD1 4.01Å; L675-L679 HydrophobicContact CD1-CG 4.21Å; L675-L679 HydrophobicContact CG-CD1 3.99Å; L675-L679 WeakPolarHBondContact O-CB 3.41Å; L675-L679 VanDerWaalsContact O-CG 3.25Å; L675-L679 WeakPolarHBondContact O-CG 3.35Å; L675-L679 PolarHBondContact O-N 2.93Å
676C85Confident80.4Confident1 Ų136.8 Ų36.81%0.00721%0.205CC..Hα-helixtrans-62.1-44.1178.2-64.90000112.4Y672 L673 Q674 L679 L680 V728Y672-C676 VanDerWaalsContact CE1-SG 3.57Å; Y672-C676 PolarHBondContact O-N 3.24Å; Y672-C676 PolarHBondContact O-SG 3.25Å; L673-C676 WeakPolarHBondContact O-CB 3.3Å; L673-C676 PolarHBondContact O-N 3.23Å; L673-C676 VanDerWaalsContact O-N 3.13Å; Q674-C676 VanDerWaalsContact C-N 3.34Å; C676-L679 PolarHBondContact O-N 3.49Å; C676-L680 WeakPolarHBondContact O-CB 3.39Å; C676-L680 WeakPolarHBondContact O-CG 3.38Å; C676-L680 PolarHBondContact O-N 3.34Å; C676-V728 HydrophobicContact CB-CG2 3.99Å
677V84.7Confident79.9Confident11 Ų1140.7 Ų40.77%0.06722%0.223CC..Hα-helixtrans-59.6-49.6176.7170.90000110.4L673 Q674 L679 L680 D681 L724 R727 V728 L731L673-V677 WeakPolarHBondContact O-CG2 3.45Å; L673-V677 PolarHBondContact O-N 3.05Å; Q674-V677 PolarHBondContact O-N 3.44Å; V677-L679 VanDerWaalsContact C-N 3.28Å; V677-L679 PolarHBondContact O-N 2.82Å; V677-L680 PolarHBondContact O-N 2.97Å; V677-D681 WeakPolarHBondContact O-CB 3.33Å; V677-D681 PolarHBondContact O-N 3.26Å; V677-L724 HydrophobicContact CG2-CD2 4.37Å; V677-R727 HydrophobicContact CG1-CG 4.03Å; V677-R727 HydrophobicContact CG2-CB 4.16Å; V677-R727 HydrophobicContact CG2-CG 3.99Å; V677-V728 HydrophobicContact CG2-CG2 3.68Å; V677-L731 HydrophobicContact CB-CD1 4.49Å; V677-L731 HydrophobicContact CG1-CD1 3.99Å
678N85.6Confident79.4Confident22 Ų2236.8 Ų36.812%0.11820%0.204CC..Hα-helixtrans-62.9-34.7-179.1-66.9-3.2000112.4A622 A625 Q674 L675 T682A622-N678 PolarHBondContact O-ND2 2.86Å; A625-N678 HydrophobicContact CB-CB 4.08Å; Q674-N678 PolarHBondContact NE2-OD1 3.31Å; Q674-N678 VanDerWaalsContact O-CG 3.24Å; Q674-N678 PolarHBondContact O-N 3.41Å; Q674-N678 PolarHBondContact O-OD1 3.23Å; L675-N678 PolarHBondContact O-N 2.92Å; N678-T682 PolarHBondContact O-OG1 3.29Å
679L83.7Confident78.6Confident1 Ų138.1 Ų38.11%0.00521%0.21CC..Hα-helixtrans-73-36.6176.3-69.7172.8000113A625 A629 L633 L675 C676 V677 L684 L692A625-L679 HydrophobicContact CB-CD2 4.18Å; A625-L679 HydrophobicContact CB-CG 4.46Å; A629-L679 HydrophobicContact CB-CD2 4.23Å; L633-L679 HydrophobicContact CB-CD2 4.24Å; L633-L679 HydrophobicContact CD1-CD1 4.26Å; L675-L679 HydrophobicContact CD1-CD1 4.01Å; L675-L679 HydrophobicContact CD1-CG 4.21Å; L675-L679 HydrophobicContact CG-CD1 3.99Å; L675-L679 WeakPolarHBondContact O-CB 3.41Å; L675-L679 VanDerWaalsContact O-CG 3.25Å; L675-L679 WeakPolarHBondContact O-CG 3.35Å; L675-L679 PolarHBondContact O-N 2.93Å; C676-L679 PolarHBondContact O-N 3.49Å; V677-L679 VanDerWaalsContact C-N 3.28Å; V677-L679 PolarHBondContact O-N 2.82Å; L679-L684 VanDerWaalsContact O-CD1 3.31Å; L679-L684 WeakPolarHBondContact O-CD1 3.44Å; L679-L692 HydrophobicContact CB-CD2 4.02Å
680L77.7Confident77.9Confident37 Ų3740.3 Ų40.319%0.19423%0.228CC..Hα-helixtrans-79.4-30.3-179.5-71.9171.6000113.4C676 V677 T682 L692 V728 L731C676-L680 WeakPolarHBondContact O-CB 3.39Å; C676-L680 WeakPolarHBondContact O-CG 3.38Å; C676-L680 PolarHBondContact O-N 3.34Å; V677-L680 PolarHBondContact O-N 2.97Å; L680-T682 VanDerWaalsContact C-N 3.29Å; L680-L692 HydrophobicContact CD2-CD2 4.38Å; L680-V728 HydrophobicContact CD1-CG1 3.89Å; L680-L731 HydrophobicContact CB-CB 4.26Å; L680-L731 HydrophobicContact CB-CD1 4Å
681D80.8Confident77.2Confident101 Ų10139.5 Ų39.554%0.5422%0.221SC..Hα-helixtrans-73.6-22.9179.4-156.526.2000112.1V677 L731V677-D681 WeakPolarHBondContact O-CB 3.33Å; V677-D681 PolarHBondContact O-N 3.26Å; D681-L731 HydrophobicContact CB-CD1 4.25Å
682T76.4Confident76.6Confident50 Ų5040.1 Ų40.131%0.30722%0.224SC..SBendtrans-89.8130.6-179.8-48.30000111.1A629 N678 L680 L684A629-T682 HydrophobicContact CB-CG2 3.87Å; N678-T682 PolarHBondContact O-OG1 3.29Å; L680-T682 VanDerWaalsContact C-N 3.29Å; T682-L684 PolarHBondContact O-N 3.38Å
683P71.2Confident75.8Confident130 Ų13042.1 Ų42.184%0.84424%0.235SC*.  trans-68.9105.6175.827.6-33.5000110.8
684L64.8Low75.1Confident32 Ų3242.7 Ų42.717%0.16824%0.237CC..  trans-99.7151.8-178-71.8165.6000112.6A629 H630 L633 L679 T682 L692A629-L684 HydrophobicContact CB-CD2 3.97Å; H630-L684 HydrophobicContact CB-CD2 4.17Å; L633-L684 HydrophobicContact CD2-CD1 3.73Å; L679-L684 VanDerWaalsContact O-CD1 3.31Å; L679-L684 WeakPolarHBondContact O-CD1 3.44Å; T682-L684 PolarHBondContact O-N 3.38Å; L684-L692 HydrophobicContact CB-CD1 4.22Å; L684-L692 HydrophobicContact CD1-CD1 3.77Å; L684-L692 HydrophobicContact CD1-CD2 3.75Å; L684-L692 HydrophobicContact CD1-CG 4.14Å
685E68Low74.4Confident106 Ų10639.5 Ų39.550%0.49522%0.223SC..  trans-67.6155.5176.9-64.4176.3163.900112.9H630 Q687 Y688H630-E685 IonicContact CD2-OE2 2.83Å; H630-E685 IonicContact CE1-OE2 3.85Å; H630-E685 IonicContact NE2-OE1 3.85Å; H630-E685 IonicContact NE2-OE2 2.82Å; H630-E685 PolarHBondContact NE2-OE2 3.22Å; E685-Q687 HydrophobicContact CB-CG 4.26Å; E685-Q687 PolarHBondContact O-N 3.32Å; E685-Q687 PolarHBondContact OE2-NE2 3.49Å; E685-Y688 HydrophobicContact CB-CD2 4.2Å; E685-Y688 HydrophobicContact CB-CE2 4.34Å; E685-Y688 PolarHBondContact O-N 3.36Å; E685-Y688 VanDerWaalsContact O-N 3.11Å
686A61.6Low73.8Confident44 Ų4439.5 Ų39.536%0.36422%0.223SC..G310 helixtrans-45.6-40.2-178.200000115.5Y688 H689A686-Y688 PolarHBondContact O-N 2.65Å; A686-Y688 VanDerWaalsContact O-N 3.09Å; A686-H689 WeakPolarHBondContact O-CB 3.13Å; A686-H689 PolarHBondContact O-N 3.41Å; A686-H689 VanDerWaalsContact O-N 3.14Å
687Q68.6Low73.2Confident126 Ų12640.5 Ų40.559%0.58923%0.23SC*.G310 helixtrans-62.3-19.3-173.759-178.9-19.200113.5E685E685-Q687 HydrophobicContact CB-CG 4.26Å; E685-Q687 PolarHBondContact O-N 3.32Å; E685-Q687 PolarHBondContact OE2-NE2 3.49Å
688Y70.3Confident72.6Confident17 Ų1740.3 Ų40.37%0.06723%0.229CC..G310 helixtrans-96.8-3.6-178.3-62.4-66000114.5H630 L633 I637 E685 A686 A690 A691 L692H630-Y688 AromaticContact CD2-CE2 3.36Å; H630-Y688 WeakPolarHBondContact CD2-CE2 3.47Å; H630-Y688 AromaticContact CE1-CE2 3.69Å; H630-Y688 AromaticContact CE1-CZ 3.65Å; H630-Y688 PolarHBondContact CE1-OH 3.48Å; H630-Y688 AromaticContact CG-CE2 3.8Å; H630-Y688 AromaticContact ND1-CZ 3.89Å; H630-Y688 PolarHBondContact ND1-OH 3.43Å; H630-Y688 AromaticContact NE2-CE2 3.3Å; H630-Y688 VanDerWaalsContact NE2-CE2 3.3Å; H630-Y688 WeakPolarHBondContact NE2-CE2 3.38Å; H630-Y688 AromaticContact NE2-CZ 3.76Å; H630-Y688 PolarHBondContact NE2-OH 3.35Å; L633-Y688 HydrophobicContact CB-CD1 4.27Å; L633-Y688 HydrophobicContact CD2-CD1 3.85Å; L633-Y688 HydrophobicContact CD2-CG 3.82Å; L633-Y688 HydrophobicContact CG-CD1 3.84Å; L633-Y688 HydrophobicContact CG-CG 4.33Å; I637-Y688 HydrophobicContact CD1-CD1 3.75Å; I637-Y688 HydrophobicContact CD1-CE1 4.21Å; E685-Y688 HydrophobicContact CB-CD2 4.2Å; E685-Y688 HydrophobicContact CB-CE2 4.34Å; E685-Y688 PolarHBondContact O-N 3.36Å; E685-Y688 VanDerWaalsContact O-N 3.11Å; A686-Y688 PolarHBondContact O-N 2.65Å; A686-Y688 VanDerWaalsContact O-N 3.09Å; Y688-A690 VanDerWaalsContact C-N 3.35Å; Y688-A690 PolarHBondContact O-N 3.22Å; Y688-A691 WeakPolarHBondContact O-CB 3.31Å; Y688-A691 PolarHBondContact O-N 3.24Å; Y688-L692 PolarHBondContact O-N 3.42Å
689H68.7Low72Confident28 Ų2839.5 Ų39.513%0.1323%0.225CC..Hα-helixtrans-59.1-42.1-172.6-177.2-82.3000113.2A686 A691 L692 L693 R748 E751A686-H689 WeakPolarHBondContact O-CB 3.13Å; A686-H689 PolarHBondContact O-N 3.41Å; A686-H689 VanDerWaalsContact O-N 3.14Å; H689-A691 VanDerWaalsContact C-N 3.27Å; H689-A691 PolarHBondContact O-N 3.19Å; H689-L692 PolarHBondContact O-N 2.76Å; H689-L692 VanDerWaalsContact O-N 3.16Å; H689-L693 WeakPolarHBondContact CE1-CD1 3.42Å; H689-L693 VanDerWaalsContact ND1-CD1 3.32Å; H689-L693 WeakPolarHBondContact ND1-CD1 3.35Å; H689-L693 PolarHBondContact O-N 3.39Å; H689-R748 WeakPolarHBondContact NE2-CA 3.36Å; H689-R748 PolarHBondContact NE2-O 2.84Å; H689-E751 IonicContact CE1-OE2 3.86Å; H689-E751 PolarHBondContact CE1-OE2 2.81Å; H689-E751 VanDerWaalsContact CE1-OE2 3.28Å
690A71.1Confident71.4Confident46 Ų4639.5 Ų39.538%0.3823%0.225SC..Hα-helixtrans-62.1-34.2177.100000112.8L644 Y688 H694L644-A690 HydrophobicContact CD2-CB 3.93Å; Y688-A690 VanDerWaalsContact C-N 3.35Å; Y688-A690 PolarHBondContact O-N 3.22Å; A690-H694 WeakPolarHBondContact O-CB 3.23Å; A690-H694 PolarHBondContact O-N 3.03Å
691A69.4Low71.1Confident0 Ų041.3 Ų41.30%023%0.234CC..Hα-helixtrans-71.9-40.7175.100000111.4L633 I637 L644 Y688 H689 H694 C695L633-A691 HydrophobicContact CD1-CB 3.97Å; L633-A691 HydrophobicContact CG-CB 4.39Å; I637-A691 HydrophobicContact CD1-CB 3.6Å; I637-A691 HydrophobicContact CG1-CB 3.87Å; L644-A691 HydrophobicContact CD2-CB 3.78Å; Y688-A691 WeakPolarHBondContact O-CB 3.31Å; Y688-A691 PolarHBondContact O-N 3.24Å; H689-A691 VanDerWaalsContact C-N 3.27Å; H689-A691 PolarHBondContact O-N 3.19Å; A691-H694 WeakPolarHBondContact O-CB 3.15Å; A691-H694 PolarHBondContact O-N 3.5Å; A691-C695 PolarHBondContact O-N 3.32Å; A691-C695 PolarHBondContact O-SG 3.39Å
692L72.7Confident70.8Confident19 Ų1940.7 Ų40.710%0.09923%0.227CC..Hα-helixtrans-63.4-43.8175.3-67.9173.1000112.1L633 L679 L680 L684 Y688 H689 H694 C695 A696L633-L692 HydrophobicContact CD2-CD2 4.13Å; L633-L692 HydrophobicContact CD2-CG 4.26Å; L679-L692 HydrophobicContact CB-CD2 4.02Å; L680-L692 HydrophobicContact CD2-CD2 4.38Å; L684-L692 HydrophobicContact CB-CD1 4.22Å; L684-L692 HydrophobicContact CD1-CD1 3.77Å; L684-L692 HydrophobicContact CD1-CD2 3.75Å; L684-L692 HydrophobicContact CD1-CG 4.14Å; Y688-L692 PolarHBondContact O-N 3.42Å; H689-L692 PolarHBondContact O-N 2.76Å; H689-L692 VanDerWaalsContact O-N 3.16Å; L692-H694 VanDerWaalsContact C-N 3.27Å; L692-H694 PolarHBondContact O-N 3.26Å; L692-C695 PolarHBondContact O-N 2.85Å; L692-A696 VanDerWaalsContact O-CB 3.3Å; L692-A696 WeakPolarHBondContact O-CB 3.26Å; L692-A696 PolarHBondContact O-N 3.16Å
693L71.5Confident70.6Confident42 Ų4238.3 Ų38.322%0.2221%0.212CC..Hα-helixtrans-56.7-43.4171.3-82.1173.5000111.1H689 S697 L752 L755H689-L693 WeakPolarHBondContact CE1-CD1 3.42Å; H689-L693 VanDerWaalsContact ND1-CD1 3.32Å; H689-L693 WeakPolarHBondContact ND1-CD1 3.35Å; H689-L693 PolarHBondContact O-N 3.39Å; L693-S697 WeakPolarHBondContact O-CB 3.02Å; L693-S697 PolarHBondContact O-N 2.84Å; L693-S697 PolarHBondContact O-OG 3.15Å; L693-L752 HydrophobicContact CD2-CD2 3.58Å; L693-L752 HydrophobicContact CD2-CG 3.85Å; L693-L752 HydrophobicContact CG-CD2 4.15Å; L693-L752 HydrophobicContact CG-CG 4.4Å; L693-L755 HydrophobicContact CD2-CD2 4.21Å
694H71.7Confident70.6Confident12 Ų1232.2 Ų32.26%0.05617%0.172CC..Hα-helixtrans-64-50.2178-16984.6000111.8R643 D650 A690 A691 L692 A696 S697 L698R643-H694 PolarHBondContact O-ND1 3.37Å; D650-H694 IonicContact OD2-CD2 3.28Å; D650-H694 IonicContact OD2-CE1 2.79Å; D650-H694 IonicContact OD2-NE2 3.69Å; D650-H694 PolarHBondContact OD2-NE2 2.96Å; A690-H694 WeakPolarHBondContact O-CB 3.23Å; A690-H694 PolarHBondContact O-N 3.03Å; A691-H694 WeakPolarHBondContact O-CB 3.15Å; A691-H694 PolarHBondContact O-N 3.5Å; L692-H694 VanDerWaalsContact C-N 3.27Å; L692-H694 PolarHBondContact O-N 3.26Å; H694-A696 VanDerWaalsContact C-N 3.34Å; H694-A696 PolarHBondContact O-N 3.01Å; H694-S697 PolarHBondContact O-N 3.03Å; H694-S697 VanDerWaalsContact O-N 3.14Å; H694-S697 PolarHBondContact O-OG 3.43Å; H694-L698 VanDerWaalsContact NE2-CD1 3.35Å; H694-L698 WeakPolarHBondContact NE2-CD1 3.33Å; H694-L698 PolarHBondContact O-N 3.25Å
695C72.8Confident70.9Confident4 Ų433 Ų333%0.02718%0.18CC..Hα-helixtrans-56.4-47.8177.3-65.10000111.9F642 Y672 A691 L692 L698 A699F642-C695 WeakPolarHBondContact CE1-SG 3.49Å; F642-C695 WeakPolarHBondContact CZ-SG 3.37Å; Y672-C695 PolarHBondContact OH-O 3Å; A691-C695 PolarHBondContact O-N 3.32Å; A691-C695 PolarHBondContact O-SG 3.39Å; L692-C695 PolarHBondContact O-N 2.85Å; C695-L698 PolarHBondContact O-N 3.13Å; C695-A699 PolarHBondContact O-N 2.87Å; C695-A699 VanDerWaalsContact O-N 3.11Å
696A73.1Confident70.8Confident1 Ų128.9 Ų28.91%0.00817%0.167CC..Hα-helixtrans-62.9-43.8176.400000111L692 H694 L698 A699 L700 L752L692-A696 VanDerWaalsContact O-CB 3.3Å; L692-A696 WeakPolarHBondContact O-CB 3.26Å; L692-A696 PolarHBondContact O-N 3.16Å; H694-A696 VanDerWaalsContact C-N 3.34Å; H694-A696 PolarHBondContact O-N 3.01Å; A696-L698 VanDerWaalsContact C-N 3.34Å; A696-L698 PolarHBondContact O-N 2.73Å; A696-A699 PolarHBondContact O-N 2.69Å; A696-L700 HydrophobicContact CB-CD1 4.29Å; A696-L700 VanDerWaalsContact O-CB 3.27Å; A696-L700 WeakPolarHBondContact O-CB 3.32Å; A696-L700 WeakPolarHBondContact O-CD1 3.49Å; A696-L700 WeakPolarHBondContact O-CG 3.3Å; A696-L700 PolarHBondContact O-N 3.44Å; A696-L752 HydrophobicContact CB-CD2 4.12Å
697S73.1Confident71.1Confident22 Ų2226.8 Ų26.815%0.15415%0.149CC..Hα-helixtrans-61.8-39.2178.377.70000112.6L693 H694 L700 L701L693-S697 WeakPolarHBondContact O-CB 3.02Å; L693-S697 PolarHBondContact O-N 2.84Å; L693-S697 PolarHBondContact O-OG 3.15Å; H694-S697 PolarHBondContact O-N 3.03Å; H694-S697 VanDerWaalsContact O-N 3.14Å; H694-S697 PolarHBondContact O-OG 3.43Å; S697-L700 PolarHBondContact O-N 2.98Å; S697-L701 WeakPolarHBondContact O-CA 3.42Å; S697-L701 WeakPolarHBondContact O-CB 3.48Å; S697-L701 WeakPolarHBondContact O-CG 3.4Å; S697-L701 PolarHBondContact O-N 2.93Å
698L71.9Confident70.9Confident7 Ų725.5 Ų25.54%0.03714%0.143CC..Hα-helixtrans-65.4-46.3176.1-73.7177.2000111.3I656 H694 C695 A696 K702 L703I656-L698 HydrophobicContact CD1-CB 4.49Å; H694-L698 VanDerWaalsContact NE2-CD1 3.35Å; H694-L698 WeakPolarHBondContact NE2-CD1 3.33Å; H694-L698 PolarHBondContact O-N 3.25Å; C695-L698 PolarHBondContact O-N 3.13Å; A696-L698 VanDerWaalsContact C-N 3.34Å; A696-L698 PolarHBondContact O-N 2.73Å; L698-K702 HydrophobicContact CD2-CD 3.82Å; L698-K702 HydrophobicContact CD2-CG 4.48Å; L698-K702 WeakPolarHBondContact O-CB 3.33Å; L698-K702 PolarHBondContact O-N 3.28Å; L698-L703 PolarHBondContact O-N 3.03Å
699A73.6Confident70.7Confident4 Ų429.1 Ų29.13%0.03317%0.167CC..Iπ-helixtrans-62.3-45.1176.500000111.4Y672 L673 C695 A696 L703 L704 V728Y672-A699 HydrophobicContact CE1-CB 4.49Å; L673-A699 HydrophobicContact CD2-CB 4.11Å; C695-A699 PolarHBondContact O-N 2.87Å; C695-A699 VanDerWaalsContact O-N 3.11Å; A696-A699 PolarHBondContact O-N 2.69Å; A699-L703 WeakPolarHBondContact O-CB 3.44Å; A699-L703 PolarHBondContact O-N 3.47Å; A699-L704 PolarHBondContact O-N 3.38Å; A699-V728 HydrophobicContact CB-CG1 4.38Å
700L70.5Confident70.8Confident1 Ų128.1 Ų28.11%0.00516%0.162CC..Iπ-helixtrans-76.5-40.4-174.9-65166.4000113.2A696 S697 L704 I729 C756 M760 S765A696-L700 HydrophobicContact CB-CD1 4.29Å; A696-L700 VanDerWaalsContact O-CB 3.27Å; A696-L700 WeakPolarHBondContact O-CB 3.32Å; A696-L700 WeakPolarHBondContact O-CD1 3.49Å; A696-L700 WeakPolarHBondContact O-CG 3.3Å; A696-L700 PolarHBondContact O-N 3.44Å; S697-L700 PolarHBondContact O-N 2.98Å; L700-L704 HydrophobicContact CD2-CD1 3.88Å; L700-L704 WeakPolarHBondContact O-CB 3.31Å; L700-I729 HydrophobicContact CD2-CG1 3.7Å; L700-C756 WeakPolarHBondContact CD1-SG 3.29Å; L700-M760 HydrophobicContact CD2-CE 4.06Å; L700-S765 VanDerWaalsContact O-CB 3.26Å; L700-S765 WeakPolarHBondContact O-CB 3.27Å; L700-S765 PolarHBondContact O-OG 3.4Å
701L71.8Confident70.6Confident76 Ų7633 Ų3340%0.39818%0.182SC..Iπ-helixtrans-94.3-32.5-172.6-66.4171.4000113.4S697 S705 T759S697-L701 WeakPolarHBondContact O-CA 3.42Å; S697-L701 WeakPolarHBondContact O-CB 3.48Å; S697-L701 WeakPolarHBondContact O-CG 3.4Å; S697-L701 PolarHBondContact O-N 2.93Å; L701-S705 VanDerWaalsContact O-CB 3.3Å; L701-S705 WeakPolarHBondContact O-CB 3.16Å; L701-S705 PolarHBondContact O-OG 3.28Å; L701-T759 HydrophobicContact CD2-CG2 3.59Å; L701-T759 HydrophobicContact CG-CG2 4.29Å
702K73.9Confident70.6Confident88 Ų8838.7 Ų38.738%0.38321%0.209SC..Iπ-helixtrans-98.9-46.3-177.9-63.5-168.8177.3-169.40112.9S653 I656 L698 S705 G706S653-K702 PolarHBondContact OG-NZ 3.15Å; I656-K702 HydrophobicContact CG2-CB 4.4Å; L698-K702 HydrophobicContact CD2-CD 3.82Å; L698-K702 HydrophobicContact CD2-CG 4.48Å; L698-K702 WeakPolarHBondContact O-CB 3.33Å; L698-K702 PolarHBondContact O-N 3.28Å; K702-S705 PolarHBondContact O-OG 2.89Å; K702-G706 PolarHBondContact O-N 3.16Å
703L71.8Confident70.4Confident0 Ų038.1 Ų38.10%021%0.206CC..Iπ-helixtrans-74-47.6-176.5-173.1154.2000111.6I656 L669 L673 L698 A699 G706 S707 W710 V721I656-L703 HydrophobicContact CG2-CB 4.39Å; L669-L703 HydrophobicContact CB-CD1 4.34Å; L669-L703 HydrophobicContact CD2-CD1 3.66Å; L669-L703 HydrophobicContact CD2-CG 4.33Å; L673-L703 HydrophobicContact CD1-CD1 3.82Å; L673-L703 HydrophobicContact CD1-CD2 4.25Å; L673-L703 HydrophobicContact CD2-CD1 3.94Å; L673-L703 HydrophobicContact CG-CD1 3.85Å; L698-L703 PolarHBondContact O-N 3.03Å; A699-L703 WeakPolarHBondContact O-CB 3.44Å; A699-L703 PolarHBondContact O-N 3.47Å; L703-G706 PolarHBondContact O-N 3.06Å; L703-S707 PolarHBondContact O-N 2.98Å; L703-W710 HydrophobicContact CD2-CH2 4.27Å; L703-V721 HydrophobicContact CD2-CG1 4.42Å
704L71.9Confident70.3Confident2 Ų236.2 Ų36.21%0.0120%0.196CC..Hα-helixtrans-68.7-34.8179.8-62.9176.4000113.3A699 L700 S707 M726 I729 M760 L768A699-L704 PolarHBondContact O-N 3.38Å; L700-L704 HydrophobicContact CD2-CD1 3.88Å; L700-L704 WeakPolarHBondContact O-CB 3.31Å; L704-S707 PolarHBondContact O-N 2.89Å; L704-S707 PolarHBondContact O-OG 3.43Å; L704-M726 HydrophobicContact CD2-CE 4.28Å; L704-I729 HydrophobicContact CD1-CD1 3.84Å; L704-I729 HydrophobicContact CD1-CG1 4.33Å; L704-M760 HydrophobicContact CD1-CE 3.53Å; L704-L768 HydrophobicContact CD2-CB 4.18Å; L704-L768 HydrophobicContact CD2-CD2 3.56Å; L704-L768 HydrophobicContact CD2-CG 4.48Å
705S70.3Confident70.2Confident48 Ų4835.9 Ų35.934%0.33620%0.196SC..Hα-helixtrans-69.7-36.6176.463.30000112.2L701 K702 S707L701-S705 VanDerWaalsContact O-CB 3.3Å; L701-S705 WeakPolarHBondContact O-CB 3.16Å; L701-S705 PolarHBondContact O-OG 3.28Å; K702-S705 PolarHBondContact O-OG 2.89Å; S705-S707 VanDerWaalsContact C-N 3.25Å; S705-S707 PolarHBondContact O-N 2.99Å
706G67.8Low69.9Low20 Ų2039.7 Ų39.721%0.20621%0.21CC..Hα-helixtrans-69.5-19176.400000114.6K702 L703 E708 T709K702-G706 PolarHBondContact O-N 3.16Å; L703-G706 PolarHBondContact O-N 3.06Å; G706-E708 PolarHBondContact O-N 3.48Å; G706-E708 VanDerWaalsContact O-N 3.15Å; G706-T709 PolarHBondContact O-N 2.83Å; G706-T709 PolarHBondContact O-OG1 3.24Å; G706-T709 VanDerWaalsContact O-OG1 3.12Å
707S66.6Low69.8Low0 Ų045.5 Ų45.50%023%0.232CC..G310 helixtrans-69.4-6.5-176.974.50000115.2L703 L704 S705 T709 W710 L768 R771L703-S707 PolarHBondContact O-N 2.98Å; L704-S707 PolarHBondContact O-N 2.89Å; L704-S707 PolarHBondContact O-OG 3.43Å; S705-S707 VanDerWaalsContact C-N 3.25Å; S705-S707 PolarHBondContact O-N 2.99Å; S707-T709 PolarHBondContact O-N 2.89Å; S707-W710 WeakPolarHBondContact O-CB 3.48Å; S707-W710 PolarHBondContact O-N 3.46Å; S707-W710 VanDerWaalsContact O-N 3.17Å; S707-L768 WeakPolarHBondContact OG-CB 3.01Å; S707-R771 PolarHBondContact O-NH1 3.38Å
708E64.8Low70.1Confident98 Ų9846.3 Ų46.346%0.45823%0.232SC..G310 helixtrans-60-26.8175.1-70.6-177.7-177.200112.2G706 W710 N764 R771G706-E708 PolarHBondContact O-N 3.48Å; G706-E708 VanDerWaalsContact O-N 3.15Å; E708-W710 VanDerWaalsContact C-N 3.31Å; E708-W710 PolarHBondContact O-N 3.39Å; E708-N764 WeakPolarHBondContact OE1-CB 3.28Å; E708-N764 PolarHBondContact OE1-ND2 3.17Å; E708-N764 VanDerWaalsContact OE1-ND2 3.15Å; E708-R771 PolarHBondContact O-NH1 3.47Å
709T66.3Low70.5Confident94 Ų9446.1 Ų46.158%0.57723%0.231SC*.G310 helixtrans-75.9-14.6179.460.40000114G706 S707 N711G706-T709 PolarHBondContact O-N 2.83Å; G706-T709 PolarHBondContact O-OG1 3.24Å; G706-T709 VanDerWaalsContact O-OG1 3.12Å; S707-T709 PolarHBondContact O-N 2.89Å; T709-N711 PolarHBondContact O-N 3.49Å
710W71.2Confident70.8Confident6 Ų647.8 Ų47.82%0.02324%0.242CC..  trans-78.5109.8-174.2-57.9-8.5000109.9L660 L703 S707 E708 E712 W718 V721 L768 R771L660-W710 HydrophobicContact CD2-CZ2 4.01Å; L703-W710 HydrophobicContact CD2-CH2 4.27Å; S707-W710 WeakPolarHBondContact O-CB 3.48Å; S707-W710 PolarHBondContact O-N 3.46Å; S707-W710 VanDerWaalsContact O-N 3.17Å; E708-W710 VanDerWaalsContact C-N 3.31Å; E708-W710 PolarHBondContact O-N 3.39Å; W710-E712 VanDerWaalsContact C-N 3.29Å; W710-E712 PolarHBondContact O-N 3.21Å; W710-W718 AromaticContact CD2-CD2 3.84Å; W710-W718 HydrophobicContact CD2-CD2 3.84Å; W710-W718 AromaticContact CD2-CE3 3.94Å; W710-W718 HydrophobicContact CD2-CE3 3.94Å; W710-W718 HydrophobicContact CD2-CG 4.11Å; W710-W718 HydrophobicContact CD2-CZ3 4.46Å; W710-W718 AromaticContact CE2-CD2 3.92Å; W710-W718 AromaticContact CE2-CE3 3.61Å; W710-W718 AromaticContact CE2-CZ3 3.7Å; W710-W718 HydrophobicContact CE3-CB 4.11Å; W710-W718 HydrophobicContact CE3-CD2 4.18Å; W710-W718 HydrophobicContact CE3-CE3 4.2Å; W710-W718 HydrophobicContact CE3-CG 4.14Å; W710-W718 HydrophobicContact CG-CD2 4.14Å; W710-W718 HydrophobicContact CG-CG 4.33Å; W710-W718 AromaticContact CH2-CE3 3.93Å; W710-W718 HydrophobicContact CH2-CE3 3.93Å; W710-W718 HydrophobicContact CH2-CZ3 4.31Å; W710-W718 HydrophobicContact CZ2-CD2 4.37Å; W710-W718 AromaticContact CZ2-CE3 3.62Å; W710-W718 HydrophobicContact CZ2-CE3 3.62Å; W710-W718 HydrophobicContact CZ2-CH2 4.38Å; W710-W718 AromaticContact CZ2-CZ3 3.63Å; W710-W718 HydrophobicContact CZ2-CZ3 3.63Å; W710-W718 HydrophobicContact CZ3-CB 4.45Å; W710-W718 HydrophobicContact CZ3-CE3 4.2Å; W710-W718 AromaticContact NE1-CH2 3.77Å; W710-W718 AromaticContact NE1-CZ2 3.89Å; W710-W718 AromaticContact NE1-CZ3 3.87Å; W710-V721 HydrophobicContact CH2-CB 4.44Å; W710-V721 HydrophobicContact CH2-CG1 3.62Å; W710-V721 HydrophobicContact CZ2-CG1 4.35Å; W710-V721 HydrophobicContact CZ3-CG1 4.36Å; W710-L768 HydrophobicContact CE3-CD1 3.8Å; W710-L768 HydrophobicContact CH2-CD2 4.46Å; W710-L768 HydrophobicContact CZ3-CD1 3.77Å; W710-L768 HydrophobicContact CZ3-CD2 3.9Å; W710-R771 PolarHBondContact O-NH1 3.49Å; W710-R771 PolarHBondContact O-NH2 2.91Å
711N65Low71.5Confident150 Ų15047.8 Ų47.880%0.80224%0.242SC*.SBendtrans-59.7-39.5-179.2-70-22.1000112.8T709 R771T709-N711 PolarHBondContact O-N 3.49Å; N711-R771 PolarHBondContact O-NH2 2.92Å
712E70.4Confident72.1Confident119 Ų11944.1 Ų44.156%0.55622%0.223SC*.  trans-129100.6-178.7-63.9-168.7161.700112.1W710 L714 G715W710-E712 VanDerWaalsContact C-N 3.29Å; W710-E712 PolarHBondContact O-N 3.21Å; E712-L714 PolarHBondContact O-N 3.44Å; E712-G715 PolarHBondContact O-N 2.63Å
713P68.9Low72.7Confident6 Ų642.1 Ų42.14%0.03921%0.214CC..THydrogen-bonded Turntrans-70.5-29.8-176.527.4-34.4000113.4G715 W718 S722 L768 R771 I772 T775P713-G715 VanDerWaalsContact C-N 3.34Å; P713-W718 CarbonylContact O-C 3.6Å; P713-W718 VanDerWaalsContact O-C 3.29Å; P713-W718 WeakPolarHBondContact O-CB 3.39Å; P713-S722 PolarHBondContact O-OG 2.81Å; P713-L768 HydrophobicContact CB-CD1 3.73Å; P713-R771 HydrophobicContact CG-CB 4.3Å; P713-I772 HydrophobicContact CB-CG1 4.05Å; P713-I772 HydrophobicContact CG-CG1 4.29Å; P713-T775 HydrophobicContact CG-CG2 4.43Å
714L69.5Low73.4Confident2 Ų242.7 Ų42.71%0.0122%0.218CC..THydrogen-bonded Turntrans-96.214.9175-61.5179.1000112.6E712 I772 T775 I783 R788 V796 A799 L800E712-L714 PolarHBondContact O-N 3.44Å; L714-I772 HydrophobicContact CD1-CG2 4.29Å; L714-I772 HydrophobicContact CD2-CG1 4.35Å; L714-I772 HydrophobicContact CD2-CG2 4.16Å; L714-I772 HydrophobicContact CG-CG2 4.45Å; L714-T775 HydrophobicContact CB-CG2 4.47Å; L714-T775 HydrophobicContact CD1-CG2 3.68Å; L714-T775 HydrophobicContact CG-CG2 4.08Å; L714-I783 HydrophobicContact CB-CD1 4.01Å; L714-R788 PolarHBondContact O-NH1 2.8Å; L714-R788 VanDerWaalsContact O-NH1 3.16Å; L714-V796 HydrophobicContact CB-CG1 4.46Å; L714-V796 HydrophobicContact CD1-CG1 4.18Å; L714-V796 HydrophobicContact CD2-CG1 4.31Å; L714-A799 HydrophobicContact CD2-CB 4.07Å; L714-L800 HydrophobicContact CD1-CD1 4.11Å; L714-L800 HydrophobicContact CD1-CD2 4.23Å; L714-L800 HydrophobicContact CD1-CG 4.04Å
715G69.1Low74Confident6 Ų642.8 Ų42.86%0.06222%0.218CC..SBendtrans-61.8163.1171.300000111.5E712 P713 R717 W718 A719E712-G715 PolarHBondContact O-N 2.63Å; P713-G715 VanDerWaalsContact C-N 3.34Å; G715-R717 PolarHBondContact O-N 2.84Å; G715-R717 VanDerWaalsContact O-N 3.11Å; G715-W718 PolarHBondContact O-N 3.47Å; G715-A719 VanDerWaalsContact O-CB 3.31Å; G715-A719 WeakPolarHBondContact O-CB 3.14Å; G715-A719 PolarHBondContact O-N 3.18Å
716R65.9Low74.9Confident83 Ų8340.5 Ų40.531%0.31320%0.202SC..THydrogen-bonded Turntrans-52.6-36.5-180-68.4176.9-170.4-96.5-14.4112.8W258W258-R716 VanDerWaalsContact CZ3-NH2 3.31Å
717R71.9Confident75.8Confident124 Ų12442.8 Ų42.847%0.46821%0.205SC..THydrogen-bonded Turntrans-70.1-65177.8-68.5-177.9175.9-167.3-4.5110.8E663 E666 G715 A719E663-R717 IonicContact OE2-CZ 2.86Å; E663-R717 IonicContact OE2-NH1 3.54Å; E663-R717 PolarHBondContact OE2-NH1 2.89Å; E663-R717 IonicContact OE2-NH2 2.97Å; E663-R717 PolarHBondContact OE2-NH2 3Å; E666-R717 WeakPolarHBondContact CG-O 3.46Å; E666-R717 VanDerWaalsContact OE2-C 3.32Å; E666-R717 WeakPolarHBondContact OE2-CA 3.5Å; E666-R717 WeakPolarHBondContact OE2-CB 3.4Å; G715-R717 PolarHBondContact O-N 2.84Å; G715-R717 VanDerWaalsContact O-N 3.11Å; R717-A719 VanDerWaalsContact C-N 3.35Å; R717-A719 PolarHBondContact O-N 3.22Å
718W79.9Confident76.6Confident39 Ų3942.9 Ų42.915%0.14821%0.205CC..THydrogen-bonded Turntrans-81.3-3.7-168.8-58.1107.2000116.1E666 L669 W710 P713 G715 S720 V721 S722E666-W718 HydrophobicContact CB-CZ3 4.36Å; E666-W718 HydrophobicContact CG-CE3 4.43Å; L669-W718 HydrophobicContact CD1-CH2 4.37Å; L669-W718 HydrophobicContact CD1-CZ3 3.85Å; W710-W718 AromaticContact CD2-CD2 3.84Å; W710-W718 HydrophobicContact CD2-CD2 3.84Å; W710-W718 AromaticContact CD2-CE3 3.94Å; W710-W718 HydrophobicContact CD2-CE3 3.94Å; W710-W718 HydrophobicContact CD2-CG 4.11Å; W710-W718 HydrophobicContact CD2-CZ3 4.46Å; W710-W718 AromaticContact CE2-CD2 3.92Å; W710-W718 AromaticContact CE2-CE3 3.61Å; W710-W718 AromaticContact CE2-CZ3 3.7Å; W710-W718 HydrophobicContact CE3-CB 4.11Å; W710-W718 HydrophobicContact CE3-CD2 4.18Å; W710-W718 HydrophobicContact CE3-CE3 4.2Å; W710-W718 HydrophobicContact CE3-CG 4.14Å; W710-W718 HydrophobicContact CG-CD2 4.14Å; W710-W718 HydrophobicContact CG-CG 4.33Å; W710-W718 AromaticContact CH2-CE3 3.93Å; W710-W718 HydrophobicContact CH2-CE3 3.93Å; W710-W718 HydrophobicContact CH2-CZ3 4.31Å; W710-W718 HydrophobicContact CZ2-CD2 4.37Å; W710-W718 AromaticContact CZ2-CE3 3.62Å; W710-W718 HydrophobicContact CZ2-CE3 3.62Å; W710-W718 HydrophobicContact CZ2-CH2 4.38Å; W710-W718 AromaticContact CZ2-CZ3 3.63Å; W710-W718 HydrophobicContact CZ2-CZ3 3.63Å; W710-W718 HydrophobicContact CZ3-CB 4.45Å; W710-W718 HydrophobicContact CZ3-CE3 4.2Å; W710-W718 AromaticContact NE1-CH2 3.77Å; W710-W718 AromaticContact NE1-CZ2 3.89Å; W710-W718 AromaticContact NE1-CZ3 3.87Å; P713-W718 CarbonylContact O-C 3.6Å; P713-W718 VanDerWaalsContact O-C 3.29Å; P713-W718 WeakPolarHBondContact O-CB 3.39Å; G715-W718 PolarHBondContact O-N 3.47Å; W718-S720 PolarHBondContact O-N 3.04Å; W718-V721 HydrophobicContact CE3-CB 4.31Å; W718-V721 HydrophobicContact CE3-CG1 4.49Å; W718-V721 HydrophobicContact CE3-CG2 4.21Å; W718-V721 PolarHBondContact O-N 3.35Å; W718-S722 VanDerWaalsContact O-CB 3.23Å; W718-S722 WeakPolarHBondContact O-CB 3.49Å; W718-S722 PolarHBondContact O-N 2.88Å; W718-S722 PolarHBondContact O-OG 3Å
719A79.1Confident77.5Confident2 Ų238.2 Ų38.22%0.01718%0.184CC..Hα-helixtrans-59.3-44.4-176.300000113.5G715 R717 S722 F723 V796G715-A719 VanDerWaalsContact O-CB 3.31Å; G715-A719 WeakPolarHBondContact O-CB 3.14Å; G715-A719 PolarHBondContact O-N 3.18Å; R717-A719 VanDerWaalsContact C-N 3.35Å; R717-A719 PolarHBondContact O-N 3.22Å; A719-S722 PolarHBondContact O-N 3.3Å; A719-F723 WeakPolarHBondContact O-CB 3.28Å; A719-F723 PolarHBondContact O-N 3.09Å; A719-V796 HydrophobicContact CB-CG2 3.85Å
720S79.7Confident78.4Confident40 Ų4034.7 Ų34.728%0.2816%0.16SC..Hα-helixtrans-64.8-46.6179.963.20000111.7W718 F723 L724W718-S720 PolarHBondContact O-N 3.04Å; S720-F723 PolarHBondContact O-N 3.36Å; S720-L724 WeakPolarHBondContact O-CG 3.34Å; S720-L724 PolarHBondContact O-N 3.49Å
721V84.8Confident78.8Confident0 Ų035.3 Ų35.30%016%0.164CC..Hα-helixtrans-63.3-43.6176.8-176.30000110.7E666 L669 A670 L673 L703 W710 W718 L724 S725E666-V721 HydrophobicContact CG-CG2 3.83Å; L669-V721 HydrophobicContact CB-CG1 4.1Å; L669-V721 HydrophobicContact CB-CG2 4.2Å; A670-V721 HydrophobicContact CB-CG2 4.1Å; L673-V721 HydrophobicContact CD1-CB 4.46Å; L673-V721 HydrophobicContact CD1-CG1 3.65Å; L673-V721 WeakPolarHBondContact CD1-O 3.23Å; L703-V721 HydrophobicContact CD2-CG1 4.42Å; W710-V721 HydrophobicContact CH2-CB 4.44Å; W710-V721 HydrophobicContact CH2-CG1 3.62Å; W710-V721 HydrophobicContact CZ2-CG1 4.35Å; W710-V721 HydrophobicContact CZ3-CG1 4.36Å; W718-V721 HydrophobicContact CE3-CB 4.31Å; W718-V721 HydrophobicContact CE3-CG1 4.49Å; W718-V721 HydrophobicContact CE3-CG2 4.21Å; W718-V721 PolarHBondContact O-N 3.35Å; V721-L724 PolarHBondContact O-N 2.95Å; V721-S725 VanDerWaalsContact O-CB 3.26Å; V721-S725 WeakPolarHBondContact O-CB 3.4Å; V721-S725 PolarHBondContact O-N 3.21Å; V721-S725 PolarHBondContact O-OG 3.04Å
722S84.6Confident79.5Confident0 Ų028.3 Ų28.30%013%0.127CC..Hα-helixtrans-60.5-48.6176.8-71.40000111.6P713 W718 A719 S725 M726P713-S722 PolarHBondContact O-OG 2.81Å; W718-S722 VanDerWaalsContact O-CB 3.23Å; W718-S722 WeakPolarHBondContact O-CB 3.49Å; W718-S722 PolarHBondContact O-N 2.88Å; W718-S722 PolarHBondContact O-OG 3Å; A719-S722 PolarHBondContact O-N 3.3Å; S722-S725 PolarHBondContact O-N 3.39Å; S722-S725 PolarHBondContact O-OG 3.47Å; S722-M726 WeakPolarHBondContact O-CG 3.27Å; S722-M726 PolarHBondContact O-N 2.81Å
723F86.7Confident79.7Confident45 Ų4522.8 Ų22.820%0.19710%0.101CC..Hα-helixtrans-56.8-54.3175.5168.1-118.1000111.9A719 S720 S725 M726 R727 D798 A799A719-F723 WeakPolarHBondContact O-CB 3.28Å; A719-F723 PolarHBondContact O-N 3.09Å; S720-F723 PolarHBondContact O-N 3.36Å; F723-S725 VanDerWaalsContact C-N 3.29Å; F723-S725 PolarHBondContact O-N 3.46Å; F723-M726 PolarHBondContact O-N 3.34Å; F723-M726 VanDerWaalsContact O-N 3.16Å; F723-R727 PolarHBondContact O-N 3.36Å; F723-D798 HydrophobicContact CD2-CB 3.72Å; F723-D798 HydrophobicContact CE2-CB 3.51Å; F723-D798 HydrophobicContact CZ-CB 4.29Å; F723-A799 HydrophobicContact CB-CB 3.91Å
724L86.3Confident79.9Confident13 Ų1327.7 Ų27.77%0.06812%0.124CC..Hα-helixtrans-64-35.8-176.5-65.7171.1000111.8A670 L673 Q674 V677 S720 V721 R727 V728A670-L724 HydrophobicContact CB-CD1 4.32Å; A670-L724 WeakPolarHBondContact O-CD1 3.47Å; L673-L724 HydrophobicContact CB-CB 3.59Å; L673-L724 HydrophobicContact CB-CD1 4.21Å; L673-L724 HydrophobicContact CD1-CB 4.05Å; L673-L724 HydrophobicContact CG-CB 4.45Å; Q674-L724 HydrophobicContact CB-CD1 4.29Å; Q674-L724 VanDerWaalsContact OE1-CD2 3.25Å; V677-L724 HydrophobicContact CG2-CD2 4.37Å; S720-L724 WeakPolarHBondContact O-CG 3.34Å; S720-L724 PolarHBondContact O-N 3.49Å; V721-L724 PolarHBondContact O-N 2.95Å; L724-R727 PolarHBondContact O-N 3.46Å; L724-V728 WeakPolarHBondContact O-CG2 3.4Å; L724-V728 PolarHBondContact O-N 3Å
725S86.2Confident79.3Confident4 Ų429.1 Ų29.13%0.02813%0.133CC..Hα-helixtrans-64.6-41.5175.474.30000112.2V721 S722 F723 R727 V728 I729 L768V721-S725 VanDerWaalsContact O-CB 3.26Å; V721-S725 WeakPolarHBondContact O-CB 3.4Å; V721-S725 PolarHBondContact O-N 3.21Å; V721-S725 PolarHBondContact O-OG 3.04Å; S722-S725 PolarHBondContact O-N 3.39Å; S722-S725 PolarHBondContact O-OG 3.47Å; F723-S725 VanDerWaalsContact C-N 3.29Å; F723-S725 PolarHBondContact O-N 3.46Å; S725-R727 VanDerWaalsContact C-N 3.34Å; S725-V728 PolarHBondContact O-N 3.39Å; S725-I729 WeakPolarHBondContact O-CG1 3.05Å; S725-I729 PolarHBondContact O-N 3.44Å; S725-L768 WeakPolarHBondContact OG-CD2 3.27Å
726M88.4Confident78.2Confident0 Ų034.4 Ų34.40%016%0.159CC..Hα-helixtrans-68.3-34.9174.8-66.2-60.211700111.6L704 S722 F723 I729 Q730 L768 M769 I772 C802 A803 N806L704-M726 HydrophobicContact CD2-CE 4.28Å; S722-M726 WeakPolarHBondContact O-CG 3.27Å; S722-M726 PolarHBondContact O-N 2.81Å; F723-M726 PolarHBondContact O-N 3.34Å; F723-M726 VanDerWaalsContact O-N 3.16Å; M726-I729 HydrophobicContact CE-CD1 3.88Å; M726-I729 PolarHBondContact O-N 3.43Å; M726-I729 HydrophobicContact SD-CD1 4.13Å; M726-Q730 WeakPolarHBondContact O-CB 3.36Å; M726-Q730 PolarHBondContact O-N 2.89Å; M726-L768 HydrophobicContact CE-CB 4.21Å; M726-L768 HydrophobicContact CE-CD2 3.91Å; M726-L768 HydrophobicContact CE-CG 3.94Å; M726-M769 HydrophobicContact CE-CB 3.96Å; M726-M769 HydrophobicContact SD-CB 3.81Å; M726-M769 HydrophobicContact SD-CG 3.88Å; M726-I772 HydrophobicContact CE-CD1 4.02Å; M726-I772 HydrophobicContact CG-CD1 3.9Å; M726-I772 HydrophobicContact SD-CD1 4.26Å; M726-C802 HydrophobicContact CB-CB 3.64Å; M726-A803 HydrophobicContact CG-CB 4.14Å; M726-A803 HydrophobicContact SD-CB 3.93Å; M726-N806 PolarHBondContact O-ND2 3.09Å
727R85.9Confident77Confident68 Ų6834.3 Ų34.326%0.25717%0.169SC..Hα-helixtrans-65.4-39.5175.8-172.463175170.61.9112.2V677 F723 L724 S725 I729 Q730 L731V677-R727 HydrophobicContact CG1-CG 4.03Å; V677-R727 HydrophobicContact CG2-CB 4.16Å; V677-R727 HydrophobicContact CG2-CG 3.99Å; F723-R727 PolarHBondContact O-N 3.36Å; L724-R727 PolarHBondContact O-N 3.46Å; S725-R727 VanDerWaalsContact C-N 3.34Å; R727-I729 PolarHBondContact O-N 3.15Å; R727-Q730 WeakPolarHBondContact O-CB 3.36Å; R727-Q730 PolarHBondContact O-N 3.2Å; R727-L731 HydrophobicContact CG-CD1 4.49Å; R727-L731 WeakPolarHBondContact O-CG 3.43Å; R727-L731 PolarHBondContact O-N 3.39Å
728V84.6Confident75.2Confident2 Ų237.2 Ų37.21%0.01219%0.188CC..Hα-helixtrans-59.2-45.7173.3169.90000111L673 C676 V677 L680 A699 L724 S725 Q730 L731 C732L673-V728 HydrophobicContact CD2-CG2 4.23Å; C676-V728 HydrophobicContact CB-CG2 3.99Å; V677-V728 HydrophobicContact CG2-CG2 3.68Å; L680-V728 HydrophobicContact CD1-CG1 3.89Å; A699-V728 HydrophobicContact CB-CG1 4.38Å; L724-V728 WeakPolarHBondContact O-CG2 3.4Å; L724-V728 PolarHBondContact O-N 3Å; S725-V728 PolarHBondContact O-N 3.39Å; V728-Q730 VanDerWaalsContact C-N 3.34Å; V728-Q730 PolarHBondContact O-N 2.87Å; V728-L731 PolarHBondContact O-N 3.27Å; V728-C732 PolarHBondContact O-N 2.93Å; V728-C732 VanDerWaalsContact O-N 3.14Å; V728-C732 PolarHBondContact O-SG 3.05Å
729I84.2Confident73.1Confident0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-61.9-44.3176.6-61.7165.7000110.5L700 L704 S725 M726 R727 L731 C732 L733 M760 N806L700-I729 HydrophobicContact CD2-CG1 3.7Å; L704-I729 HydrophobicContact CD1-CD1 3.84Å; L704-I729 HydrophobicContact CD1-CG1 4.33Å; S725-I729 WeakPolarHBondContact O-CG1 3.05Å; S725-I729 PolarHBondContact O-N 3.44Å; M726-I729 HydrophobicContact CE-CD1 3.88Å; M726-I729 PolarHBondContact O-N 3.43Å; M726-I729 HydrophobicContact SD-CD1 4.13Å; R727-I729 PolarHBondContact O-N 3.15Å; I729-L731 PolarHBondContact O-N 3.25Å; I729-C732 PolarHBondContact O-N 3.49Å; I729-L733 HydrophobicContact CG2-CD1 3.77Å; I729-L733 HydrophobicContact CG2-CG 4.25Å; I729-L733 WeakPolarHBondContact O-CG 3.38Å; I729-L733 PolarHBondContact O-N 3.45Å; I729-M760 HydrophobicContact CD1-CE 4.38Å; I729-M760 HydrophobicContact CD1-SD 4.03Å; I729-N806 HydrophobicContact CG2-CB 4.06Å
730Q83.7Confident71.1Confident19 Ų1947.2 Ų47.29%0.08926%0.257CS..Hα-helixtrans-59.3-48.7-179.8-171.1-176.216.200111.7M726 R727 V728 C732 L733 Q734 C802 N806M726-Q730 WeakPolarHBondContact O-CB 3.36Å; M726-Q730 PolarHBondContact O-N 2.89Å; R727-Q730 WeakPolarHBondContact O-CB 3.36Å; R727-Q730 PolarHBondContact O-N 3.2Å; V728-Q730 VanDerWaalsContact C-N 3.34Å; V728-Q730 PolarHBondContact O-N 2.87Å; Q730-C732 VanDerWaalsContact C-N 3.26Å; Q730-C732 PolarHBondContact O-N 3.33Å; Q730-L733 PolarHBondContact O-N 3.4Å; Q730-L733 VanDerWaalsContact O-N 3.14Å; Q730-Q734 HydrophobicContact CG-CG 4.08Å; Q730-Q734 WeakPolarHBondContact O-CB 3.49Å; Q730-Q734 WeakPolarHBondContact O-CG 3.39Å; Q730-Q734 PolarHBondContact O-N 3.43Å; Q730-C802 PolarHBondContact OE1-SG 3.42Å; Q730-N806 WeakPolarHBondContact CA-OD1 3.47Å; Q730-N806 WeakPolarHBondContact CB-OD1 3.37Å; Q730-N806 PolarHBondContact N-OD1 2.88Å
731L81Confident69.4Low20 Ų2051.1 Ų51.111%0.10528%0.279CS..Hα-helixtrans-61.1-36177.6-72.5174.7000111.8V677 L680 D681 R727 V728 I729 T735V677-L731 HydrophobicContact CB-CD1 4.49Å; V677-L731 HydrophobicContact CG1-CD1 3.99Å; L680-L731 HydrophobicContact CB-CB 4.26Å; L680-L731 HydrophobicContact CB-CD1 4Å; D681-L731 HydrophobicContact CB-CD1 4.25Å; R727-L731 HydrophobicContact CG-CD1 4.49Å; R727-L731 WeakPolarHBondContact O-CG 3.43Å; R727-L731 PolarHBondContact O-N 3.39Å; V728-L731 PolarHBondContact O-N 3.27Å; I729-L731 PolarHBondContact O-N 3.25Å; L731-T735 WeakPolarHBondContact O-CG2 3.36Å
732C78.4Confident67.9Low3 Ų354.9 Ų54.92%0.0230%0.302CS..Hα-helixtrans-70-36.3175.7-62.10000112.8V728 I729 Q730 T735 C756V728-C732 PolarHBondContact O-N 2.93Å; V728-C732 VanDerWaalsContact O-N 3.14Å; V728-C732 PolarHBondContact O-SG 3.05Å; I729-C732 PolarHBondContact O-N 3.49Å; Q730-C732 VanDerWaalsContact C-N 3.26Å; Q730-C732 PolarHBondContact O-N 3.33Å; C732-T735 PolarHBondContact O-OG1 2.97Å; C732-C756 HydrophobicContact CB-CB 4.15Å; C732-C756 WeakPolarHBondContact CB-SG 3.32Å; C732-C756 VanDerWaalsContact SG-SG 3.7Å
733L76Confident66.4Low3 Ų360.9 Ų60.92%0.01633%0.33CS..Hα-helixtrans-79.6-33.9-178.5-68.5175.8000114.1I729 Q730 T735 R753 C756 E757 N806 L810I729-L733 HydrophobicContact CG2-CD1 3.77Å; I729-L733 HydrophobicContact CG2-CG 4.25Å; I729-L733 WeakPolarHBondContact O-CG 3.38Å; I729-L733 PolarHBondContact O-N 3.45Å; Q730-L733 PolarHBondContact O-N 3.4Å; Q730-L733 VanDerWaalsContact O-N 3.14Å; L733-T735 PolarHBondContact O-N 3.41Å; L733-T735 VanDerWaalsContact O-N 3.14Å; L733-R753 PolarHBondContact O-NH1 3.37Å; L733-R753 VanDerWaalsContact O-NH1 3.17Å; L733-C756 HydrophobicContact CD2-CB 4.32Å; L733-E757 HydrophobicContact CD2-CG 4.07Å; L733-N806 HydrophobicContact CD1-CB 4.13Å; L733-L810 HydrophobicContact CD1-CD1 4.48Å; L733-L810 HydrophobicContact CD1-CD2 4.19Å; L733-L810 HydrophobicContact CD1-CG 3.96Å; L733-L810 HydrophobicContact CD2-CD2 3.92Å
734Q71.6Confident64.8Low108 Ų10864.4 Ų64.451%0.50535%0.347SS..  trans-745.2-176-74.9-176.2-24.500114.6Q730 L736Q730-Q734 HydrophobicContact CG-CG 4.08Å; Q730-Q734 WeakPolarHBondContact O-CB 3.49Å; Q730-Q734 WeakPolarHBondContact O-CG 3.39Å; Q730-Q734 PolarHBondContact O-N 3.43Å; Q734-L736 PolarHBondContact O-N 3.32Å
735T56.5Low63.2Low33 Ų3366.4 Ų66.420%0.20236%0.358CS..  trans-81.867.2-178.953.70000113.5L731 C732 L733 K749L731-T735 WeakPolarHBondContact O-CG2 3.36Å; C732-T735 PolarHBondContact O-OG1 2.97Å; L733-T735 PolarHBondContact O-N 3.41Å; L733-T735 VanDerWaalsContact O-N 3.14Å; T735-K749 HydrophobicContact CG2-CB 4.49Å; T735-K749 HydrophobicContact CG2-CD 4.14Å; T735-K749 HydrophobicContact CG2-CG 4Å
736L46.9Very low61.8Low116 Ų11673.6 Ų73.661%0.60739%0.385SS*.  trans-145.5154.9168.7-102.5124000112Q734Q734-L736 PolarHBondContact O-N 3.32Å
737P40.5Very low60.3Low82 Ų8278.6 Ų78.653%0.53241%0.411SS..  -129.3119.6-113.732-11.5000112.1
738E35.4Very low58.9Low185 Ų18577.8 Ų77.886%0.86441%0.408SS*.SBendtrans-131116.7159.4-68.1-171.9172.900108.2
739V35.5Very low57.7Low139 Ų13982.9 Ų82.984%0.84243%0.43SS*.SBendtrans79.374.1168.8-158.30000116.9
740S37Very low56.9Low111 Ų11185.7 Ų85.778%0.77645%0.45SS*.  trans169.7117.6133.642.40000115.4
741V43.1Very low56.3Low122 Ų12289.8 Ų89.874%0.73947%0.469SS*.  trans45.6108.6138.9-1550000121
742T52.7Low55.8Low79 Ų7989.6 Ų89.649%0.48547%0.468SS..  trans103.2127.9164.281.50000118E744 D745T742-E744 PolarHBondContact O-N 3.31Å; T742-D745 PolarHBondContact O-N 3.49Å; T742-D745 PolarHBondContact OG1-OD2 3.26Å
743E54.8Low55.8Low127 Ų12791.2 Ų91.259%0.59347%0.474SS*.Hα-helixtrans-59.6-27.2175.4-79.4-71.3123.300112.8R746 L747E743-R746 PolarHBondContact O-N 3.11Å; E743-R746 IonicContact OE1-NH1 3.84Å; E743-R746 PolarHBondContact OE1-NH1 3.3Å; E743-L747 PolarHBondContact O-N 3.49Å
744E52.8Low55.8Low118 Ų11893.6 Ų93.655%0.55149%0.493SS*.Hα-helixtrans-68.2-36.7177.7-61.2-174.5-178.700112T742 R746 L747 R748T742-E744 PolarHBondContact O-N 3.31Å; E744-R746 VanDerWaalsContact C-N 3.29Å; E744-R746 PolarHBondContact O-N 3.44Å; E744-L747 PolarHBondContact O-N 2.89Å; E744-R748 WeakPolarHBondContact O-CB 3.41Å; E744-R748 WeakPolarHBondContact O-CD 3.48Å; E744-R748 WeakPolarHBondContact O-CG 3.45Å; E744-R748 PolarHBondContact O-N 3.02Å; E744-R748 IonicContact OE2-CZ 3.75Å; E744-R748 IonicContact OE2-NH2 3.66Å; E744-R748 PolarHBondContact OE2-NH2 2.92Å
745D52.6Low56.1Low56 Ų5691 Ų9130%0.29948%0.483SS..Hα-helixtrans-68.2-29.4177.8-73.4-34.9000112.8T742 R748 K749T742-D745 PolarHBondContact O-N 3.49Å; T742-D745 PolarHBondContact OG1-OD2 3.26Å; D745-R748 IonicContact OD1-CZ 2.94Å; D745-R748 IonicContact OD1-NE 3.79Å; D745-R748 IonicContact OD1-NH1 3.75Å; D745-R748 PolarHBondContact OD1-NH1 3.28Å; D745-K749 PolarHBondContact O-N 3.34Å
746R57.3Low57.2Low154 Ų15489.4 Ų89.458%0.58147%0.473SS*.Hα-helixtrans-66.8-47.6172-73.2-179.7165.2170.3-8.1111.6E743 E744 R748 S750E743-R746 PolarHBondContact O-N 3.11Å; E743-R746 IonicContact OE1-NH1 3.84Å; E743-R746 PolarHBondContact OE1-NH1 3.3Å; E744-R746 VanDerWaalsContact C-N 3.29Å; E744-R746 PolarHBondContact O-N 3.44Å; R746-R748 PolarHBondContact O-N 2.71Å; R746-S750 VanDerWaalsContact O-CB 3.31Å; R746-S750 WeakPolarHBondContact O-CB 3.43Å; R746-S750 PolarHBondContact O-N 3.46Å; R746-S750 PolarHBondContact O-OG 3.09Å
747L56.9Low58.7Low106 Ų10686.1 Ų86.156%0.55545%0.454SS*.Hα-helixtrans-60-46.1176.3-78156.3000111.2E743 E744 K749 S750 E751E743-L747 PolarHBondContact O-N 3.49Å; E744-L747 PolarHBondContact O-N 2.89Å; L747-K749 PolarHBondContact O-N 3.16Å; L747-S750 WeakPolarHBondContact CA-OG 3.37Å; L747-S750 WeakPolarHBondContact O-CB 3.34Å; L747-S750 PolarHBondContact O-N 3.38Å; L747-S750 PolarHBondContact O-OG 3.13Å; L747-E751 PolarHBondContact O-N 3.19Å; L747-E751 VanDerWaalsContact O-N 3.12Å
748R55Low60.5Low50 Ų5087.6 Ų87.619%0.18945%0.454CS..Hα-helixtrans-58.1-49.6-179.1-74169-1551694.9113.3H689 E744 D745 R746 S750 E751H689-R748 WeakPolarHBondContact NE2-CA 3.36Å; H689-R748 PolarHBondContact NE2-O 2.84Å; E744-R748 WeakPolarHBondContact O-CB 3.41Å; E744-R748 WeakPolarHBondContact O-CD 3.48Å; E744-R748 WeakPolarHBondContact O-CG 3.45Å; E744-R748 PolarHBondContact O-N 3.02Å; E744-R748 IonicContact OE2-CZ 3.75Å; E744-R748 IonicContact OE2-NH2 3.66Å; E744-R748 PolarHBondContact OE2-NH2 2.92Å; D745-R748 IonicContact OD1-CZ 2.94Å; D745-R748 IonicContact OD1-NE 3.79Å; D745-R748 IonicContact OD1-NH1 3.75Å; D745-R748 PolarHBondContact OD1-NH1 3.28Å; R746-R748 PolarHBondContact O-N 2.71Å; R748-S750 VanDerWaalsContact C-N 3.32Å; R748-E751 PolarHBondContact O-N 2.95Å
749K60.6Low62.5Low109 Ų10979 Ų7947%0.47441%0.414SS..Hα-helixtrans-68.9-33.6178.9-77.4173.3172.7-178.60111.5T735 D745 L747 E751 R753T735-K749 HydrophobicContact CG2-CB 4.49Å; T735-K749 HydrophobicContact CG2-CD 4.14Å; T735-K749 HydrophobicContact CG2-CG 4Å; D745-K749 PolarHBondContact O-N 3.34Å; L747-K749 PolarHBondContact O-N 3.16Å; K749-E751 VanDerWaalsContact C-N 3.34Å; K749-E751 PolarHBondContact O-N 3.08Å; K749-R753 WeakPolarHBondContact O-CB 3.27Å; K749-R753 PolarHBondContact O-N 2.9Å
750S67.6Low64.6Low60 Ų6072.3 Ų72.342%0.4237%0.374SS..Hα-helixtrans-63.5-36.3176.279.30000113.1R746 L747 R748 A754R746-S750 VanDerWaalsContact O-CB 3.31Å; R746-S750 WeakPolarHBondContact O-CB 3.43Å; R746-S750 PolarHBondContact O-N 3.46Å; R746-S750 PolarHBondContact O-OG 3.09Å; L747-S750 WeakPolarHBondContact CA-OG 3.37Å; L747-S750 WeakPolarHBondContact O-CB 3.34Å; L747-S750 PolarHBondContact O-N 3.38Å; L747-S750 PolarHBondContact O-OG 3.13Å; R748-S750 VanDerWaalsContact C-N 3.32Å; S750-A754 WeakPolarHBondContact O-CB 3.46Å; S750-A754 PolarHBondContact O-N 3.33Å
751E70.5Confident66.6Low105 Ų10567.9 Ų67.949%0.49134%0.341SS..Hα-helixtrans-70.2-44178.7-71.7-177.5176.900112.8H689 L747 R748 K749 A754 L755H689-E751 IonicContact CE1-OE2 3.86Å; H689-E751 PolarHBondContact CE1-OE2 2.81Å; H689-E751 VanDerWaalsContact CE1-OE2 3.28Å; L747-E751 PolarHBondContact O-N 3.19Å; L747-E751 VanDerWaalsContact O-N 3.12Å; R748-E751 PolarHBondContact O-N 2.95Å; K749-E751 VanDerWaalsContact C-N 3.34Å; K749-E751 PolarHBondContact O-N 3.08Å; E751-A754 PolarHBondContact O-N 3.2Å; E751-L755 WeakPolarHBondContact O-CB 3.38Å; E751-L755 PolarHBondContact O-N 3.01Å
752L71.1Confident68.3Low16 Ų1667.4 Ų67.48%0.08433%0.327CS..Hα-helixtrans-62.3-44.6175.6-83.8164.8000111.1L693 A696 L755 C756L693-L752 HydrophobicContact CD2-CD2 3.58Å; L693-L752 HydrophobicContact CD2-CG 3.85Å; L693-L752 HydrophobicContact CG-CD2 4.15Å; L693-L752 HydrophobicContact CG-CG 4.4Å; A696-L752 HydrophobicContact CB-CD2 4.12Å; L752-L755 PolarHBondContact O-N 3.21Å; L752-C756 WeakPolarHBondContact O-CB 3.46Å; L752-C756 PolarHBondContact O-N 3.31Å; L752-C756 PolarHBondContact O-SG 3.4Å
753R77.2Confident69.3Low37 Ų3765.7 Ų65.714%0.1432%0.316CS..Hα-helixtrans-63.7-44.2175.9-179.9168.2165.7156.5-25.1111.6L733 K749 L755 C756 E757 N813L733-R753 PolarHBondContact O-NH1 3.37Å; L733-R753 VanDerWaalsContact O-NH1 3.17Å; K749-R753 WeakPolarHBondContact O-CB 3.27Å; K749-R753 PolarHBondContact O-N 2.9Å; R753-L755 PolarHBondContact O-N 3.13Å; R753-C756 PolarHBondContact O-N 3.5Å; R753-E757 HydrophobicContact CG-CG 4.22Å; R753-E757 WeakPolarHBondContact CG-OE1 3.49Å; R753-E757 IonicContact CZ-OE1 3Å; R753-E757 IonicContact NE-OE1 2.79Å; R753-E757 PolarHBondContact NE-OE1 3.43Å; R753-E757 IonicContact NH2-OE1 3.04Å; R753-E757 PolarHBondContact NH2-OE1 3.41Å; R753-E757 WeakPolarHBondContact O-CB 3.32Å; R753-E757 WeakPolarHBondContact O-CG 3.33Å; R753-E757 PolarHBondContact O-N 3.03Å; R753-N813 PolarHBondContact NH2-ND2 3.23Å; R753-N813 PolarHBondContact NH2-OD1 3.09Å
754A76.2Confident70.2Confident52 Ų5264 Ų6443%0.4331%0.311SS..Hα-helixtrans-63.6-39.817700000112.4S750 E751 H758S750-A754 WeakPolarHBondContact O-CB 3.46Å; S750-A754 PolarHBondContact O-N 3.33Å; E751-A754 PolarHBondContact O-N 3.2Å; A754-H758 WeakPolarHBondContact O-CB 3.45Å; A754-H758 PolarHBondContact O-N 2.98Å
755L78.6Confident71Confident53 Ų5358.5 Ų58.528%0.27729%0.286SS..Hα-helixtrans-60.9-46.2172.9-175.978.3000110.7L693 E751 L752 R753 T759L693-L755 HydrophobicContact CD2-CD2 4.21Å; E751-L755 WeakPolarHBondContact O-CB 3.38Å; E751-L755 PolarHBondContact O-N 3.01Å; L752-L755 PolarHBondContact O-N 3.21Å; R753-L755 PolarHBondContact O-N 3.13Å; L755-T759 WeakPolarHBondContact O-CB 3.13Å; L755-T759 VanDerWaalsContact O-CG2 3.24Å; L755-T759 WeakPolarHBondContact O-CG2 3.19Å; L755-T759 PolarHBondContact O-N 2.72Å; L755-T759 PolarHBondContact O-OG1 2.78Å
756C78.1Confident72.4Confident0 Ų056.7 Ų56.70%028%0.275CS..Hα-helixtrans-66.1-45.3179.1-67.60000112.4L700 C732 L733 L752 R753 T759 M760L700-C756 WeakPolarHBondContact CD1-SG 3.29Å; C732-C756 HydrophobicContact CB-CB 4.15Å; C732-C756 WeakPolarHBondContact CB-SG 3.32Å; C732-C756 VanDerWaalsContact SG-SG 3.7Å; L733-C756 HydrophobicContact CD2-CB 4.32Å; L752-C756 WeakPolarHBondContact O-CB 3.46Å; L752-C756 PolarHBondContact O-N 3.31Å; L752-C756 PolarHBondContact O-SG 3.4Å; R753-C756 PolarHBondContact O-N 3.5Å; C756-T759 WeakPolarHBondContact CA-OG1 3.27Å; C756-T759 PolarHBondContact O-N 2.74Å; C756-T759 PolarHBondContact O-OG1 3.31Å; C756-T759 VanDerWaalsContact O-OG1 3.05Å; C756-M760 VanDerWaalsContact O-CB 3.28Å; C756-M760 WeakPolarHBondContact O-CB 3.5Å; C756-M760 WeakPolarHBondContact O-CG 3.44Å; C756-M760 PolarHBondContact O-N 3.2Å
757E78.8Confident73.4Confident47 Ų4750.2 Ų50.222%0.2225%0.253CS..Hα-helixtrans-61-47.3176.1-74.3175.2177.700110.6L733 R753 L761 L810L733-E757 HydrophobicContact CD2-CG 4.07Å; R753-E757 HydrophobicContact CG-CG 4.22Å; R753-E757 WeakPolarHBondContact CG-OE1 3.49Å; R753-E757 IonicContact CZ-OE1 3Å; R753-E757 IonicContact NE-OE1 2.79Å; R753-E757 PolarHBondContact NE-OE1 3.43Å; R753-E757 IonicContact NH2-OE1 3.04Å; R753-E757 PolarHBondContact NH2-OE1 3.41Å; R753-E757 WeakPolarHBondContact O-CB 3.32Å; R753-E757 WeakPolarHBondContact O-CG 3.33Å; R753-E757 PolarHBondContact O-N 3.03Å; E757-L761 WeakPolarHBondContact O-CB 2.94Å; E757-L761 WeakPolarHBondContact O-CD1 3.26Å; E757-L761 WeakPolarHBondContact O-CG 3.32Å; E757-L761 PolarHBondContact O-N 3.15Å; E757-L810 HydrophobicContact CG-CD2 4.13Å
758H78.6Confident74.5Confident113 Ų11345.2 Ų45.252%0.52323%0.227SC..Hα-helixtrans-63.7-46.2178.7-173.475.4000112.1A754 Y762A754-H758 WeakPolarHBondContact O-CB 3.45Å; A754-H758 PolarHBondContact O-N 2.98Å; H758-Y762 AromaticContact CE1-CD2 3.65Å; H758-Y762 AromaticContact ND1-CD2 3.33Å; H758-Y762 VanDerWaalsContact ND1-CD2 3.33Å; H758-Y762 WeakPolarHBondContact ND1-CD2 3.46Å; H758-Y762 AromaticContact ND1-CE2 3.68Å; H758-Y762 WeakPolarHBondContact O-CB 3.47Å; H758-Y762 WeakPolarHBondContact O-CD2 3.45Å; H758-Y762 PolarHBondContact O-N 2.89Å
759T76.7Confident75.9Confident4 Ų442.8 Ų42.83%0.02522%0.218CC..Hα-helixtrans-63.8-46.7178.551.20000111.5L701 L755 C756 T763L701-T759 HydrophobicContact CD2-CG2 3.59Å; L701-T759 HydrophobicContact CG-CG2 4.29Å; L755-T759 WeakPolarHBondContact O-CB 3.13Å; L755-T759 VanDerWaalsContact O-CG2 3.24Å; L755-T759 WeakPolarHBondContact O-CG2 3.19Å; L755-T759 PolarHBondContact O-N 2.72Å; L755-T759 PolarHBondContact O-OG1 2.78Å; C756-T759 WeakPolarHBondContact CA-OG1 3.27Å; C756-T759 PolarHBondContact O-N 2.74Å; C756-T759 PolarHBondContact O-OG1 3.31Å; C756-T759 VanDerWaalsContact O-OG1 3.05Å; T759-T763 WeakPolarHBondContact O-CA 3.28Å; T759-T763 WeakPolarHBondContact O-CB 3.18Å; T759-T763 PolarHBondContact O-N 2.65Å; T759-T763 PolarHBondContact O-OG1 3Å
760M80.8Confident77.1Confident0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-68.2-38.6-179.6-68.4-61111.800113.3L700 L704 I729 C756 S765 L810L700-M760 HydrophobicContact CD2-CE 4.06Å; L704-M760 HydrophobicContact CD1-CE 3.53Å; I729-M760 HydrophobicContact CD1-CE 4.38Å; I729-M760 HydrophobicContact CD1-SD 4.03Å; C756-M760 VanDerWaalsContact O-CB 3.28Å; C756-M760 WeakPolarHBondContact O-CB 3.5Å; C756-M760 WeakPolarHBondContact O-CG 3.44Å; C756-M760 PolarHBondContact O-N 3.2Å; M760-S765 VanDerWaalsContact CE-CB 3.47Å; M760-L810 HydrophobicContact CB-CD1 3.72Å; M760-L810 HydrophobicContact CB-CD2 4.16Å; M760-L810 HydrophobicContact CG-CD1 4.06Å
761L79.1Confident77.8Confident17 Ų1737.6 Ų37.69%0.08919%0.186CC..Hα-helixtrans-73.3-41.6-178.1-70.1171.5000112.2E757 R766 F814 P823 P824 L825E757-L761 WeakPolarHBondContact O-CB 2.94Å; E757-L761 WeakPolarHBondContact O-CD1 3.26Å; E757-L761 WeakPolarHBondContact O-CG 3.32Å; E757-L761 PolarHBondContact O-N 3.15Å; L761-R766 PolarHBondContact O-NH1 3.23Å; L761-R766 VanDerWaalsContact O-NH1 3.12Å; L761-F814 HydrophobicContact CD1-CD2 4.35Å; L761-F814 HydrophobicContact CD2-CD2 4.47Å; L761-P823 HydrophobicContact CB-CB 4.21Å; L761-P823 HydrophobicContact CD2-CB 4.11Å; L761-P823 HydrophobicContact CD2-CG 4.25Å; L761-P824 VanDerWaalsContact O-CD 3.27Å; L761-P824 WeakPolarHBondContact O-CD 3.24Å; L761-L825 HydrophobicContact CD2-CB 4.39Å; L761-L825 HydrophobicContact CD2-CD2 3.87Å
762Y77.6Confident78.4Confident113 Ų11332.6 Ų32.644%0.44316%0.163SC..Hα-helixtrans-107.6-34.1-168-61.1-75.1000114.7H758H758-Y762 AromaticContact CE1-CD2 3.65Å; H758-Y762 AromaticContact ND1-CD2 3.33Å; H758-Y762 VanDerWaalsContact ND1-CD2 3.33Å; H758-Y762 WeakPolarHBondContact ND1-CD2 3.46Å; H758-Y762 AromaticContact ND1-CE2 3.68Å; H758-Y762 WeakPolarHBondContact O-CB 3.47Å; H758-Y762 WeakPolarHBondContact O-CD2 3.45Å; H758-Y762 PolarHBondContact O-N 2.89Å
763T73.8Confident79Confident42 Ų4231.9 Ų31.926%0.25816%0.159SC..SBendtrans-88.6172.6-176.977.10000112.4T759 S765 R766T759-T763 WeakPolarHBondContact O-CA 3.28Å; T759-T763 WeakPolarHBondContact O-CB 3.18Å; T759-T763 PolarHBondContact O-N 2.65Å; T759-T763 PolarHBondContact O-OG1 3Å; T763-S765 PolarHBondContact O-N 3.5Å; T763-S765 PolarHBondContact OG1-N 3.24Å; T763-S765 PolarHBondContact OG1-OG 3.01Å; T763-R766 PolarHBondContact O-NH1 3.35Å
764N73.8Confident79.3Confident92 Ų9231 Ų3149%0.49216%0.159SC..G310 helixtrans-72.6-8.5176.7-80.210.5000113.8E708 R766 S767E708-N764 WeakPolarHBondContact OE1-CB 3.28Å; E708-N764 PolarHBondContact OE1-ND2 3.17Å; E708-N764 VanDerWaalsContact OE1-ND2 3.15Å; N764-R766 PolarHBondContact O-N 3.24Å; N764-S767 WeakPolarHBondContact O-CB 3.2Å; N764-S767 PolarHBondContact O-N 3.33Å; N764-S767 PolarHBondContact O-OG 2.74Å; N764-S767 VanDerWaalsContact O-OG 3.13Å
765S71.1Confident79.4Confident3 Ų330 Ų302%0.02115%0.149CC..G310 helixtrans-60.3-12.6-177.6-590000114.8L700 M760 T763 S767L700-S765 VanDerWaalsContact O-CB 3.26Å; L700-S765 WeakPolarHBondContact O-CB 3.27Å; L700-S765 PolarHBondContact O-OG 3.4Å; M760-S765 VanDerWaalsContact CE-CB 3.47Å; T763-S765 PolarHBondContact O-N 3.5Å; T763-S765 PolarHBondContact OG1-N 3.24Å; T763-S765 PolarHBondContact OG1-OG 3.01Å; S765-S767 VanDerWaalsContact C-N 3.28Å; S765-S767 PolarHBondContact O-N 3.38Å
766R80Confident79.3Confident18 Ų1827.8 Ų27.87%0.06814%0.138CC..G310 helixtrans-71.3-17.1170.862.9172.4178.1-81.4-19.7114.6L761 T763 N764 L768 M769 L770 P824 L825 N828L761-R766 PolarHBondContact O-NH1 3.23Å; L761-R766 VanDerWaalsContact O-NH1 3.12Å; T763-R766 PolarHBondContact O-NH1 3.35Å; N764-R766 PolarHBondContact O-N 3.24Å; R766-L768 VanDerWaalsContact C-N 3.33Å; R766-L768 PolarHBondContact O-N 2.65Å; R766-M769 PolarHBondContact O-N 3.2Å; R766-L770 HydrophobicContact CB-CD1 4.5Å; R766-L770 HydrophobicContact CG-CD1 4.16Å; R766-L770 WeakPolarHBondContact O-CG 3.49Å; R766-L770 PolarHBondContact O-N 3.41Å; R766-P824 VanDerWaalsContact CZ-C 3.49Å; R766-P824 VanDerWaalsContact NH1-CG 3.34Å; R766-P824 VanDerWaalsContact NH2-CB 3.26Å; R766-L825 HydrophobicContact CB-CD1 3.95Å; R766-L825 VanDerWaalsContact CD-CA 3.46Å; R766-L825 HydrophobicContact CG-CD1 4.37Å; R766-N828 PolarHBondContact NE-ND2 3.28Å
767S78.7Confident79.2Confident18 Ų1829.3 Ų29.313%0.12615%0.145CC..Hα-helixtrans-57-45-171.663.20000111.6N764 S765 M769 L770 R771N764-S767 WeakPolarHBondContact O-CB 3.2Å; N764-S767 PolarHBondContact O-N 3.33Å; N764-S767 PolarHBondContact O-OG 2.74Å; N764-S767 VanDerWaalsContact O-OG 3.13Å; S765-S767 VanDerWaalsContact C-N 3.28Å; S765-S767 PolarHBondContact O-N 3.38Å; S767-M769 PolarHBondContact O-N 3.46Å; S767-L770 PolarHBondContact O-N 3.37Å; S767-R771 VanDerWaalsContact O-CB 3.31Å; S767-R771 WeakPolarHBondContact O-CB 3.31Å; S767-R771 WeakPolarHBondContact O-CG 3.31Å; S767-R771 PolarHBondContact O-N 2.95Å
768L80.2Confident78.8Confident0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-57.8-50.8177.1-172.256.7000112.5L704 S707 W710 P713 S725 M726 R766 L770 R771 I772L704-L768 HydrophobicContact CD2-CB 4.18Å; L704-L768 HydrophobicContact CD2-CD2 3.56Å; L704-L768 HydrophobicContact CD2-CG 4.48Å; S707-L768 WeakPolarHBondContact OG-CB 3.01Å; W710-L768 HydrophobicContact CE3-CD1 3.8Å; W710-L768 HydrophobicContact CH2-CD2 4.46Å; W710-L768 HydrophobicContact CZ3-CD1 3.77Å; W710-L768 HydrophobicContact CZ3-CD2 3.9Å; P713-L768 HydrophobicContact CB-CD1 3.73Å; S725-L768 WeakPolarHBondContact OG-CD2 3.27Å; M726-L768 HydrophobicContact CE-CB 4.21Å; M726-L768 HydrophobicContact CE-CD2 3.91Å; M726-L768 HydrophobicContact CE-CG 3.94Å; R766-L768 VanDerWaalsContact C-N 3.33Å; R766-L768 PolarHBondContact O-N 2.65Å; L768-L770 VanDerWaalsContact C-N 3.32Å; L768-L770 PolarHBondContact O-N 3.35Å; L768-R771 PolarHBondContact O-N 3.43Å; L768-I772 HydrophobicContact CD1-CD1 4.16Å; L768-I772 HydrophobicContact CD1-CG1 4.31Å; L768-I772 HydrophobicContact CG-CD1 3.88Å; L768-I772 HydrophobicContact CG-CG1 4.45Å; L768-I772 WeakPolarHBondContact O-CB 3.35Å; L768-I772 VanDerWaalsContact O-CG1 3.28Å; L768-I772 WeakPolarHBondContact O-CG1 3.24Å; L768-I772 PolarHBondContact O-N 3.41Å
769M85.5Confident78.4Confident0 Ų026.1 Ų26.10%014%0.14CC..Hα-helixtrans-59.1-45.4-179.5-176.7-179.164.300110.9M726 R766 S767 I772 I773 A803 N806 L807 L810 L825M726-M769 HydrophobicContact CE-CB 3.96Å; M726-M769 HydrophobicContact SD-CB 3.81Å; M726-M769 HydrophobicContact SD-CG 3.88Å; R766-M769 PolarHBondContact O-N 3.2Å; S767-M769 PolarHBondContact O-N 3.46Å; M769-I772 PolarHBondContact O-N 3Å; M769-I773 HydrophobicContact CG-CD1 4.41Å; M769-I773 WeakPolarHBondContact O-CG1 3.31Å; M769-I773 PolarHBondContact O-N 3.1Å; M769-I773 VanDerWaalsContact O-N 3.15Å; M769-A803 HydrophobicContact CG-CB 4.04Å; M769-N806 HydrophobicContact SD-CB 3.9Å; M769-L807 HydrophobicContact CE-CB 4.28Å; M769-L807 HydrophobicContact CE-CD1 3.91Å; M769-L807 HydrophobicContact SD-CB 4.13Å; M769-L810 HydrophobicContact CE-CD1 4.05Å; M769-L825 HydrophobicContact CE-CD1 3.93Å
770L84.4Confident78.4Confident0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-68.2-35.9178.3-63.6176.8000112.1R766 S767 L768 I773 A774 L825 N828 L833 L840R766-L770 HydrophobicContact CB-CD1 4.5Å; R766-L770 HydrophobicContact CG-CD1 4.16Å; R766-L770 WeakPolarHBondContact O-CG 3.49Å; R766-L770 PolarHBondContact O-N 3.41Å; S767-L770 PolarHBondContact O-N 3.37Å; L768-L770 VanDerWaalsContact C-N 3.32Å; L768-L770 PolarHBondContact O-N 3.35Å; L770-I773 PolarHBondContact O-N 3.31Å; L770-A774 WeakPolarHBondContact O-CB 3.49Å; L770-A774 PolarHBondContact O-N 3.27Å; L770-L825 HydrophobicContact CD1-CD1 4.16Å; L770-L825 HydrophobicContact CD2-CD1 3.87Å; L770-L825 HydrophobicContact CG-CD1 4.19Å; L770-N828 HydrophobicContact CD1-CB 3.64Å; L770-N828 WeakPolarHBondContact CD1-ND2 3.41Å; L770-L833 HydrophobicContact CB-CD1 4.3Å; L770-L833 HydrophobicContact CB-CD2 3.89Å; L770-L833 HydrophobicContact CD1-CD2 3.94Å; L770-L840 HydrophobicContact CB-CD2 4.41Å; L770-L840 HydrophobicContact CD2-CD2 3.5Å; L770-L840 VanDerWaalsContact CD2-CD2 3.5Å; L770-L840 HydrophobicContact CG-CD2 4.48Å
771R82Confident77.8Confident60 Ų6027.1 Ų27.123%0.22615%0.147CC..Hα-helixtrans-71.1-36.3177.5-71.2176.675.4-153.1-0.7112.4S707 E708 W710 N711 P713 S767 L768 A774 T775 L833S707-R771 PolarHBondContact O-NH1 3.38Å; E708-R771 PolarHBondContact O-NH1 3.47Å; W710-R771 PolarHBondContact O-NH1 3.49Å; W710-R771 PolarHBondContact O-NH2 2.91Å; N711-R771 PolarHBondContact O-NH2 2.92Å; P713-R771 HydrophobicContact CG-CB 4.3Å; S767-R771 VanDerWaalsContact O-CB 3.31Å; S767-R771 WeakPolarHBondContact O-CB 3.31Å; S767-R771 WeakPolarHBondContact O-CG 3.31Å; S767-R771 PolarHBondContact O-N 2.95Å; L768-R771 PolarHBondContact O-N 3.43Å; R771-A774 CarbonylContact O-C 3.58Å; R771-A774 PolarHBondContact O-N 3.31Å; R771-T775 WeakPolarHBondContact O-CG2 3.35Å; R771-T775 PolarHBondContact O-N 3.17Å; R771-T775 VanDerWaalsContact O-N 3.1Å; R771-L833 HydrophobicContact CG-CD1 4.05Å
772I83.3Confident77.3Confident0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-58.8-48.6171-72.5167.2000109.6P713 L714 M726 L768 M769 T775 L800 A803P713-I772 HydrophobicContact CB-CG1 4.05Å; P713-I772 HydrophobicContact CG-CG1 4.29Å; L714-I772 HydrophobicContact CD1-CG2 4.29Å; L714-I772 HydrophobicContact CD2-CG1 4.35Å; L714-I772 HydrophobicContact CD2-CG2 4.16Å; L714-I772 HydrophobicContact CG-CG2 4.45Å; M726-I772 HydrophobicContact CE-CD1 4.02Å; M726-I772 HydrophobicContact CG-CD1 3.9Å; M726-I772 HydrophobicContact SD-CD1 4.26Å; L768-I772 HydrophobicContact CD1-CD1 4.16Å; L768-I772 HydrophobicContact CD1-CG1 4.31Å; L768-I772 HydrophobicContact CG-CD1 3.88Å; L768-I772 HydrophobicContact CG-CG1 4.45Å; L768-I772 WeakPolarHBondContact O-CB 3.35Å; L768-I772 VanDerWaalsContact O-CG1 3.28Å; L768-I772 WeakPolarHBondContact O-CG1 3.24Å; L768-I772 PolarHBondContact O-N 3.41Å; M769-I772 PolarHBondContact O-N 3Å; I772-T775 WeakPolarHBondContact O-CB 3.2Å; I772-T775 WeakPolarHBondContact O-CG2 3.28Å; I772-T775 PolarHBondContact O-N 3.4Å; I772-T775 PolarHBondContact O-OG1 3.2Å; I772-L800 HydrophobicContact CG2-CD2 3.68Å; I772-L800 HydrophobicContact CG2-CG 4.14Å; I772-L800 WeakPolarHBondContact O-CD2 3.4Å; I772-A803 HydrophobicContact CG2-CB 3.97Å
773I84.6Confident76.9Confident0 Ų027.8 Ų27.80%015%0.149CC..Hα-helixtrans-69.2-34.1177.2-63169.8000111.5M769 L770 T775 G776 A803 F804 L807 L840 I844 Y847M769-I773 HydrophobicContact CG-CD1 4.41Å; M769-I773 WeakPolarHBondContact O-CG1 3.31Å; M769-I773 PolarHBondContact O-N 3.1Å; M769-I773 VanDerWaalsContact O-N 3.15Å; L770-I773 PolarHBondContact O-N 3.31Å; I773-T775 PolarHBondContact O-N 2.91Å; I773-G776 PolarHBondContact O-N 3.35Å; I773-A803 HydrophobicContact CD1-CB 4.33Å; I773-A803 HydrophobicContact CG1-CB 4.14Å; I773-F804 HydrophobicContact CD1-CD1 4.4Å; I773-F804 HydrophobicContact CG1-CE1 4.47Å; I773-F804 HydrophobicContact CG1-CZ 4.4Å; I773-F804 HydrophobicContact CG2-CE1 3.97Å; I773-F804 HydrophobicContact CG2-CZ 3.89Å; I773-L807 HydrophobicContact CD1-CB 4.29Å; I773-L807 HydrophobicContact CD1-CD2 3.52Å; I773-L840 HydrophobicContact CG2-CD1 4Å; I773-L840 HydrophobicContact CG2-CG 4.45Å; I773-I844 HydrophobicContact CG2-CD1 4.26Å; I773-I844 HydrophobicContact CG2-CG1 3.7Å; I773-Y847 WeakPolarHBondContact O-CE2 3.13Å; I773-Y847 PolarHBondContact O-OH 3.46Å
774A83Confident76.6Confident18 Ų1826.2 Ų26.215%0.14914%0.139CC..THydrogen-bonded Turntrans-74.4-5.4178.600000113.7L770 R771 G776 L833 L840 I843L770-A774 WeakPolarHBondContact O-CB 3.49Å; L770-A774 PolarHBondContact O-N 3.27Å; R771-A774 CarbonylContact O-C 3.58Å; R771-A774 PolarHBondContact O-N 3.31Å; A774-G776 PolarHBondContact O-N 3.47Å; A774-L833 HydrophobicContact CB-CD1 3.54Å; A774-L840 HydrophobicContact CB-CD1 3.87Å; A774-I843 HydrophobicContact CB-CD1 4.36Å
775T79.1Confident76Confident33 Ų3322.2 Ų22.220%0.20212%0.119CC..THydrogen-bonded Turntrans-55.9-36169.857.20000111P713 L714 R771 I772 I773 A779 Y847P713-T775 HydrophobicContact CG-CG2 4.43Å; L714-T775 HydrophobicContact CB-CG2 4.47Å; L714-T775 HydrophobicContact CD1-CG2 3.68Å; L714-T775 HydrophobicContact CG-CG2 4.08Å; R771-T775 WeakPolarHBondContact O-CG2 3.35Å; R771-T775 PolarHBondContact O-N 3.17Å; R771-T775 VanDerWaalsContact O-N 3.1Å; I772-T775 WeakPolarHBondContact O-CB 3.2Å; I772-T775 WeakPolarHBondContact O-CG2 3.28Å; I772-T775 PolarHBondContact O-N 3.4Å; I772-T775 PolarHBondContact O-OG1 3.2Å; I773-T775 PolarHBondContact O-N 2.91Å; T775-A779 WeakPolarHBondContact O-CB 3.44Å; T775-Y847 PolarHBondContact OG1-OH 2.9Å
776G76.5Confident75.6Confident6 Ų623.4 Ų23.46%0.06213%0.129CC..  trans73.8165.8176.800000113.6I773 A774 A779 L780 Y847I773-G776 PolarHBondContact O-N 3.35Å; A774-G776 PolarHBondContact O-N 3.47Å; G776-A779 PolarHBondContact O-N 3.25Å; G776-L780 WeakPolarHBondContact O-CB 3.44Å; G776-L780 PolarHBondContact O-N 3.16Å; G776-Y847 WeakPolarHBondContact CA-OH 3.39Å; G776-Y847 PolarHBondContact N-OH 3.45Å
777E76Confident74.6Confident31 Ų3123.3 Ų23.315%0.14513%0.13CC..Hα-helixtrans-56.8-45.6179.2-164.5-76.5153.900114.1A779 L780 S781 K846 Y847E777-A779 VanDerWaalsContact C-N 3.29Å; E777-A779 PolarHBondContact O-N 3.45Å; E777-L780 CarbonylContact O-C 3.56Å; E777-L780 WeakPolarHBondContact O-CB 3.48Å; E777-L780 PolarHBondContact O-N 2.83Å; E777-L780 VanDerWaalsContact O-N 3.09Å; E777-S781 PolarHBondContact O-N 3.1Å; E777-S781 PolarHBondContact O-OG 3.17Å; E777-K846 WeakPolarHBondContact CB-O 3.04Å; E777-Y847 HydrophobicContact CB-CD1 4.24Å
778P69.6Low73.8Confident77 Ų7723.9 Ų23.950%0.513%0.129SC..Hα-helixtrans-72.6-21.5-174.927.9-36.2000113.3S781 R782P778-S781 WeakPolarHBondContact CA-OG 3.25Å; P778-S781 PolarHBondContact O-OG 2.82Å; P778-R782 VanDerWaalsContact O-CG 3.23Å; P778-R782 WeakPolarHBondContact O-CG 3.46Å; P778-R782 PolarHBondContact O-NE 3.12Å
779A70.9Confident72.8Confident17 Ų1724.5 Ų24.514%0.1413%0.133CC..Hα-helixtrans-80.9-38.8169.700000110.8T775 G776 E777 R782 I783T775-A779 WeakPolarHBondContact O-CB 3.44Å; G776-A779 PolarHBondContact O-N 3.25Å; E777-A779 VanDerWaalsContact C-N 3.29Å; E777-A779 PolarHBondContact O-N 3.45Å; A779-R782 PolarHBondContact O-N 3.18Å; A779-I783 WeakPolarHBondContact O-CB 3.28Å; A779-I783 WeakPolarHBondContact O-CD1 3.4Å; A779-I783 WeakPolarHBondContact O-CG1 3.49Å; A779-I783 PolarHBondContact O-N 3.37Å
780L75.7Confident71.7Confident0 Ų028.8 Ų28.80%016%0.155CC..Hα-helixtrans-61.8-48.9176178.462000111.5G776 E777 R782 I783 L784 V796 L800 Y847 V856G776-L780 WeakPolarHBondContact O-CB 3.44Å; G776-L780 PolarHBondContact O-N 3.16Å; E777-L780 CarbonylContact O-C 3.56Å; E777-L780 WeakPolarHBondContact O-CB 3.48Å; E777-L780 PolarHBondContact O-N 2.83Å; E777-L780 VanDerWaalsContact O-N 3.09Å; L780-R782 VanDerWaalsContact C-N 3.28Å; L780-R782 PolarHBondContact O-N 3.12Å; L780-I783 PolarHBondContact O-N 3.07Å; L780-L784 HydrophobicContact CD1-CD1 3.78Å; L780-L784 HydrophobicContact CD1-CD2 4.44Å; L780-L784 HydrophobicContact CD1-CG 3.88Å; L780-L784 HydrophobicContact CD2-CD1 4.32Å; L780-L784 HydrophobicContact CG-CD1 3.73Å; L780-L784 HydrophobicContact CG-CG 4.23Å; L780-L784 WeakPolarHBondContact O-CB 3.3Å; L780-L784 VanDerWaalsContact O-CG 3.28Å; L780-L784 WeakPolarHBondContact O-CG 3.3Å; L780-L784 PolarHBondContact O-N 3.07Å; L780-V796 HydrophobicContact CD1-CG1 3.96Å; L780-L800 HydrophobicContact CD1-CD1 3.47Å; L780-L800 VanDerWaalsContact CD1-CD1 3.47Å; L780-L800 HydrophobicContact CD2-CD1 3.76Å; L780-L800 HydrophobicContact CG-CD1 4.15Å; L780-Y847 HydrophobicContact CB-CE1 4.3Å; L780-Y847 HydrophobicContact CD2-CD1 4.06Å; L780-Y847 HydrophobicContact CD2-CE1 3.74Å; L780-V856 HydrophobicContact CD2-CG1 4.44Å
781S69.4Low70.6Confident25 Ų2534.9 Ų34.918%0.17518%0.184CC..Hα-helixtrans-59-40.8177.7610000110.9E777 P778 L784 S785E777-S781 PolarHBondContact O-N 3.1Å; E777-S781 PolarHBondContact O-OG 3.17Å; P778-S781 WeakPolarHBondContact CA-OG 3.25Å; P778-S781 PolarHBondContact O-OG 2.82Å; S781-L784 PolarHBondContact O-N 2.96Å; S781-S785 WeakPolarHBondContact O-CA 3.35Å; S781-S785 WeakPolarHBondContact O-CB 3.26Å; S781-S785 PolarHBondContact O-N 3.18Å; S781-S785 PolarHBondContact O-OG 3.09Å
782R68.1Low69.8Low122 Ų12233.9 Ų33.946%0.4618%0.184SC..Hα-helixtrans-62.2-42.4171.3-75.8-176.1-64.3137-3.7113.7P778 A779 L780 L784 S785 A786P778-R782 VanDerWaalsContact O-CG 3.23Å; P778-R782 WeakPolarHBondContact O-CG 3.46Å; P778-R782 PolarHBondContact O-NE 3.12Å; A779-R782 PolarHBondContact O-N 3.18Å; L780-R782 VanDerWaalsContact C-N 3.28Å; L780-R782 PolarHBondContact O-N 3.12Å; R782-L784 VanDerWaalsContact C-N 3.33Å; R782-S785 WeakPolarHBondContact CA-OG 3.48Å; R782-S785 PolarHBondContact O-OG 3.49Å; R782-A786 VanDerWaalsContact O-CB 3.25Å; R782-A786 WeakPolarHBondContact O-CB 3.46Å; R782-A786 PolarHBondContact O-N 3.15Å
783I69.2Low69.3Low22 Ų2236.4 Ų36.411%0.11319%0.194CC..Hα-helixtrans-66.4-38.9179.3-73.2164.3000110.9L714 A779 L780 V796L714-I783 HydrophobicContact CB-CD1 4.01Å; A779-I783 WeakPolarHBondContact O-CB 3.28Å; A779-I783 WeakPolarHBondContact O-CD1 3.4Å; A779-I783 WeakPolarHBondContact O-CG1 3.49Å; A779-I783 PolarHBondContact O-N 3.37Å; L780-I783 PolarHBondContact O-N 3.07Å; I783-V796 HydrophobicContact CG2-CG1 4.01Å; I783-V796 HydrophobicContact CG2-CG2 4.19Å
784L67.7Low68.8Low8 Ų838.9 Ų38.94%0.04221%0.211CC..Hα-helixtrans-79-33179.4-65.7174.1000112.6L780 S781 R782 R793 V797 L852 C853L780-L784 HydrophobicContact CD1-CD1 3.78Å; L780-L784 HydrophobicContact CD1-CD2 4.44Å; L780-L784 HydrophobicContact CD1-CG 3.88Å; L780-L784 HydrophobicContact CD2-CD1 4.32Å; L780-L784 HydrophobicContact CG-CD1 3.73Å; L780-L784 HydrophobicContact CG-CG 4.23Å; L780-L784 WeakPolarHBondContact O-CB 3.3Å; L780-L784 VanDerWaalsContact O-CG 3.28Å; L780-L784 WeakPolarHBondContact O-CG 3.3Å; L780-L784 PolarHBondContact O-N 3.07Å; S781-L784 PolarHBondContact O-N 2.96Å; R782-L784 VanDerWaalsContact C-N 3.33Å; L784-R793 HydrophobicContact CD2-CB 4.11Å; L784-R793 HydrophobicContact CD2-CG 4.21Å; L784-V797 HydrophobicContact CD2-CG2 3.92Å; L784-L852 HydrophobicContact CB-CD1 3.55Å; L784-L852 HydrophobicContact CD1-CB 3.8Å; L784-L852 HydrophobicContact CD1-CD1 3.92Å; L784-L852 HydrophobicContact CG-CD1 4.41Å; L784-C853 HydrophobicContact CD1-CB 4.48Å; L784-C853 WeakPolarHBondContact CD1-SG 3.47Å
785S61.9Low68.7Low9 Ų939.7 Ų39.76%0.06321%0.214CC..Hα-helixtrans-77.3-25.5175.772.40000111.8R142 S781 R782R142-S785 PolarHBondContact NH1-O 2.71Å; R142-S785 PolarHBondContact NH2-O 2.8Å; S781-S785 WeakPolarHBondContact O-CA 3.35Å; S781-S785 WeakPolarHBondContact O-CB 3.26Å; S781-S785 PolarHBondContact O-N 3.18Å; S781-S785 PolarHBondContact O-OG 3.09Å; R782-S785 WeakPolarHBondContact CA-OG 3.48Å; R782-S785 PolarHBondContact O-OG 3.49Å
786A62.5Low68.8Low28 Ų2838.1 Ų38.123%0.23120%0.204CC..SBendtrans-62.2139.4170.200000111.5R782 R788R782-A786 VanDerWaalsContact O-CB 3.25Å; R782-A786 WeakPolarHBondContact O-CB 3.46Å; R782-A786 PolarHBondContact O-N 3.15Å; A786-R788 VanDerWaalsContact C-N 3.3Å; A786-R788 HydrophobicContact CB-CG 4.36Å; A786-R788 PolarHBondContact O-N 3.29Å
787N59.5Low69.1Low16 Ų1638.4 Ų38.49%0.08621%0.205CC..  trans-63.791173.9-67.531.6000109.4R142 E210 F377R142-N787 PolarHBondContact NH2-OD1 3.03Å; E210-N787 PolarHBondContact OE1-ND2 3.28Å; E210-N787 PolarHBondContact OE1-OD1 3.08Å; F377-N787 HydrophobicContact CD2-CB 3.88Å; F377-N787 HydrophobicContact CE1-CB 3.99Å; F377-N787 HydrophobicContact CE2-CB 3.28Å; F377-N787 HydrophobicContact CG-CB 4.5Å; F377-N787 HydrophobicContact CZ-CB 3.31Å; F377-N787 WeakPolarHBondContact CZ-ND2 3.06Å
788R60.5Low69.5Low29 Ų2938.8 Ų38.811%0.10921%0.208CC..  trans-122.7147.8173.3-63.6-171-179.7-165.84107.3L714 A786 V792 R793L714-R788 PolarHBondContact O-NH1 2.8Å; L714-R788 VanDerWaalsContact O-NH1 3.16Å; A786-R788 VanDerWaalsContact C-N 3.3Å; A786-R788 HydrophobicContact CB-CG 4.36Å; A786-R788 PolarHBondContact O-N 3.29Å; R788-V792 HydrophobicContact CB-CB 4.28Å; R788-V792 HydrophobicContact CB-CG1 4.34Å; R788-R793 HydrophobicContact CB-CG 4.18Å; R788-R793 PolarHBondContact O-NE 3.3Å
789S59.7Low70.3Confident14 Ų1435.1 Ų35.110%0.09818%0.184CC..  trans-53.1151.7172.867.50000110.6E791 V792 R793S789-E791 PolarHBondContact O-N 3Å; S789-V792 PolarHBondContact O-N 2.83Å; S789-V792 VanDerWaalsContact O-N 3.1Å; S789-V792 WeakPolarHBondContact OG-CG2 3.41Å; S789-V792 PolarHBondContact OG-N 3.18Å; S789-R793 PolarHBondContact O-N 3.47Å; S789-R793 VanDerWaalsContact O-N 3.14Å
790I61.4Low71.1Confident90 Ų9034.3 Ų34.346%0.46218%0.177SC..Hα-helixtrans-56.6-37.5-179.7-65.7163.5000110.2R793 S794I790-R793 PolarHBondContact O-N 3.34Å; I790-S794 PolarHBondContact O-N 3.41Å; I790-S794 PolarHBondContact O-OG 3.41Å
791E61.2Low71.6Confident127 Ų12735.1 Ų35.159%0.59318%0.183SC*.Hα-helixtrans-61.7-41.3176.6-58.1-173.6154.400113.5S789 R793 S794 T795S789-E791 PolarHBondContact O-N 3Å; E791-R793 VanDerWaalsContact C-N 3.32Å; E791-S794 WeakPolarHBondContact CA-OG 3.29Å; E791-S794 PolarHBondContact O-N 3.27Å; E791-S794 PolarHBondContact O-OG 3.42Å; E791-T795 WeakPolarHBondContact O-CB 3.29Å; E791-T795 VanDerWaalsContact O-CG2 3.23Å; E791-T795 WeakPolarHBondContact O-CG2 3.28Å; E791-T795 PolarHBondContact O-N 3.27Å; E791-T795 PolarHBondContact O-OG1 3.1Å
792V66.4Low72.4Confident39 Ų3934.3 Ų34.324%0.23618%0.177CC..Hα-helixtrans-70.9-34.4178177.40000110.3R788 S789 T795 V796R788-V792 HydrophobicContact CB-CB 4.28Å; R788-V792 HydrophobicContact CB-CG1 4.34Å; S789-V792 PolarHBondContact O-N 2.83Å; S789-V792 VanDerWaalsContact O-N 3.1Å; S789-V792 WeakPolarHBondContact OG-CG2 3.41Å; S789-V792 PolarHBondContact OG-N 3.18Å; V792-T795 VanDerWaalsContact CA-OG1 3.27Å; V792-T795 WeakPolarHBondContact CA-OG1 3.41Å; V792-T795 PolarHBondContact O-OG1 3.27Å; V792-V796 HydrophobicContact CG1-CG2 4.5Å; V792-V796 WeakPolarHBondContact O-CB 3.35Å; V792-V796 WeakPolarHBondContact O-CG2 3.49Å; V792-V796 PolarHBondContact O-N 3.43Å; V792-V796 VanDerWaalsContact O-N 3.09Å
793R72.3Confident73.4Confident54 Ų5428.5 Ų28.520%0.20416%0.155CC..Hα-helixtrans-67-45.8174.4-69.2-171.9-75.6132.9-12111.3L784 R788 S789 I790 E791 V796 V797L784-R793 HydrophobicContact CD2-CB 4.11Å; L784-R793 HydrophobicContact CD2-CG 4.21Å; R788-R793 HydrophobicContact CB-CG 4.18Å; R788-R793 PolarHBondContact O-NE 3.3Å; S789-R793 PolarHBondContact O-N 3.47Å; S789-R793 VanDerWaalsContact O-N 3.14Å; I790-R793 PolarHBondContact O-N 3.34Å; E791-R793 VanDerWaalsContact C-N 3.32Å; R793-V796 PolarHBondContact O-N 3Å; R793-V797 VanDerWaalsContact O-CG2 3.23Å; R793-V797 WeakPolarHBondContact O-CG2 3.36Å; R793-V797 PolarHBondContact O-N 3.23Å
794S74.1Confident74.3Confident51 Ų5127.5 Ų27.536%0.35715%0.149SC..Hα-helixtrans-63.5-44.6177.963.30000111.6I790 E791 V796 V797 D798I790-S794 PolarHBondContact O-N 3.41Å; I790-S794 PolarHBondContact O-OG 3.41Å; E791-S794 WeakPolarHBondContact CA-OG 3.29Å; E791-S794 PolarHBondContact O-N 3.27Å; E791-S794 PolarHBondContact O-OG 3.42Å; S794-V796 PolarHBondContact O-N 3.32Å; S794-V797 PolarHBondContact O-N 3.36Å; S794-D798 WeakPolarHBondContact O-CB 3.38Å; S794-D798 VanDerWaalsContact O-CG 3.27Å; S794-D798 PolarHBondContact O-N 3.04Å
795T80Confident75.2Confident35 Ų3527.9 Ų27.922%0.21515%0.153CC..Hα-helixtrans-62.6-38.9177.650.30000113E791 V792 A799E791-T795 WeakPolarHBondContact O-CB 3.29Å; E791-T795 VanDerWaalsContact O-CG2 3.23Å; E791-T795 WeakPolarHBondContact O-CG2 3.28Å; E791-T795 PolarHBondContact O-N 3.27Å; E791-T795 PolarHBondContact O-OG1 3.1Å; V792-T795 VanDerWaalsContact CA-OG1 3.27Å; V792-T795 WeakPolarHBondContact CA-OG1 3.41Å; V792-T795 PolarHBondContact O-OG1 3.27Å; T795-A799 VanDerWaalsContact O-CB 3.27Å; T795-A799 WeakPolarHBondContact O-CB 3.34Å; T795-A799 PolarHBondContact O-N 2.75Å
796V83.3Confident76.4Confident0 Ų027.5 Ų27.50%015%0.15CC..Hα-helixtrans-63.9-44173.8168.60000111.3L714 A719 L780 I783 V792 R793 S794 A799 L800L714-V796 HydrophobicContact CB-CG1 4.46Å; L714-V796 HydrophobicContact CD1-CG1 4.18Å; L714-V796 HydrophobicContact CD2-CG1 4.31Å; A719-V796 HydrophobicContact CB-CG2 3.85Å; L780-V796 HydrophobicContact CD1-CG1 3.96Å; I783-V796 HydrophobicContact CG2-CG1 4.01Å; I783-V796 HydrophobicContact CG2-CG2 4.19Å; V792-V796 HydrophobicContact CG1-CG2 4.5Å; V792-V796 WeakPolarHBondContact O-CB 3.35Å; V792-V796 WeakPolarHBondContact O-CG2 3.49Å; V792-V796 PolarHBondContact O-N 3.43Å; V792-V796 VanDerWaalsContact O-N 3.09Å; R793-V796 PolarHBondContact O-N 3Å; S794-V796 PolarHBondContact O-N 3.32Å; V796-A799 PolarHBondContact O-N 3.24Å; V796-L800 PolarHBondContact O-N 2.82Å; V796-L800 VanDerWaalsContact O-N 3.1Å
797V82.7Confident77.5Confident12 Ų1226.2 Ų26.27%0.07314%0.139CC..Hα-helixtrans-65-45177.9172.50000110.9L784 R793 S794 A799 L800 V801 C853 V856L784-V797 HydrophobicContact CD2-CG2 3.92Å; R793-V797 VanDerWaalsContact O-CG2 3.23Å; R793-V797 WeakPolarHBondContact O-CG2 3.36Å; R793-V797 PolarHBondContact O-N 3.23Å; S794-V797 PolarHBondContact O-N 3.36Å; V797-A799 VanDerWaalsContact C-N 3.33Å; V797-A799 PolarHBondContact O-N 2.83Å; V797-L800 PolarHBondContact O-N 3.19Å; V797-V801 HydrophobicContact CG1-CG2 4.36Å; V797-V801 VanDerWaalsContact O-CG2 3.31Å; V797-V801 WeakPolarHBondContact O-CG2 3.36Å; V797-V801 PolarHBondContact O-N 2.94Å; V797-C853 HydrophobicContact CG2-CB 4.41Å; V797-C853 WeakPolarHBondContact CG2-SG 3.3Å; V797-V856 HydrophobicContact CG1-CG2 4.09Å
798D84.4Confident78.8Confident39 Ų3926.9 Ų26.921%0.20914%0.143CC..Hα-helixtrans-67.3-34.6178.5-69.9-33.5000111.3F723 S794 V801 C802 R855F723-D798 HydrophobicContact CD2-CB 3.72Å; F723-D798 HydrophobicContact CE2-CB 3.51Å; F723-D798 HydrophobicContact CZ-CB 4.29Å; S794-D798 WeakPolarHBondContact O-CB 3.38Å; S794-D798 VanDerWaalsContact O-CG 3.27Å; S794-D798 PolarHBondContact O-N 3.04Å; D798-V801 PolarHBondContact O-N 3.22Å; D798-C802 VanDerWaalsContact O-CB 3.29Å; D798-C802 WeakPolarHBondContact O-CB 3.33Å; D798-C802 PolarHBondContact O-N 3.39Å; D798-C802 PolarHBondContact O-SG 3Å; D798-R855 IonicContact OD1-CZ 3.89Å; D798-R855 VanDerWaalsContact OD1-CZ 3.28Å; D798-R855 IonicContact OD1-NH1 3.57Å; D798-R855 PolarHBondContact OD1-NH1 3Å; D798-R855 IonicContact OD1-NH2 3.91Å; D798-R855 PolarHBondContact OD1-NH2 3.04Å
799A85.9Confident79.9Confident0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-60.3-46.2171.700000111.6L714 F723 T795 V796 V797 A803L714-A799 HydrophobicContact CD2-CB 4.07Å; F723-A799 HydrophobicContact CB-CB 3.91Å; T795-A799 VanDerWaalsContact O-CB 3.27Å; T795-A799 WeakPolarHBondContact O-CB 3.34Å; T795-A799 PolarHBondContact O-N 2.75Å; V796-A799 PolarHBondContact O-N 3.24Å; V797-A799 VanDerWaalsContact C-N 3.33Å; V797-A799 PolarHBondContact O-N 2.83Å; A799-A803 VanDerWaalsContact O-CB 3.31Å; A799-A803 WeakPolarHBondContact O-CB 3.45Å; A799-A803 PolarHBondContact O-N 3.2Å
800L86.7Confident81Confident0 Ų026.5 Ų26.50%015%0.145CC..Hα-helixtrans-64.6-47.6176.6-81.4165.4000111.8L714 I772 L780 V796 V797 C802 A803 F804 V856L714-L800 HydrophobicContact CD1-CD1 4.11Å; L714-L800 HydrophobicContact CD1-CD2 4.23Å; L714-L800 HydrophobicContact CD1-CG 4.04Å; I772-L800 HydrophobicContact CG2-CD2 3.68Å; I772-L800 HydrophobicContact CG2-CG 4.14Å; I772-L800 WeakPolarHBondContact O-CD2 3.4Å; L780-L800 HydrophobicContact CD1-CD1 3.47Å; L780-L800 VanDerWaalsContact CD1-CD1 3.47Å; L780-L800 HydrophobicContact CD2-CD1 3.76Å; L780-L800 HydrophobicContact CG-CD1 4.15Å; V796-L800 PolarHBondContact O-N 2.82Å; V796-L800 VanDerWaalsContact O-N 3.1Å; V797-L800 PolarHBondContact O-N 3.19Å; L800-C802 VanDerWaalsContact C-N 3.33Å; L800-C802 PolarHBondContact O-N 3.45Å; L800-A803 PolarHBondContact O-N 2.77Å; L800-F804 HydrophobicContact CD2-CE2 4.25Å; L800-F804 WeakPolarHBondContact O-CD2 3.35Å; L800-F804 PolarHBondContact O-N 3.26Å; L800-V856 HydrophobicContact CB-CG1 4.48Å; L800-V856 HydrophobicContact CB-CG2 4.14Å
801V86.7Confident82Confident18 Ų1822.3 Ų22.311%0.10912%0.123CC..Hα-helixtrans-59.2-44.9177.9168.80000110.9V797 D798 F804 S805 R855 V856 M859V797-V801 HydrophobicContact CG1-CG2 4.36Å; V797-V801 VanDerWaalsContact O-CG2 3.31Å; V797-V801 WeakPolarHBondContact O-CG2 3.36Å; V797-V801 PolarHBondContact O-N 2.94Å; D798-V801 PolarHBondContact O-N 3.22Å; V801-F804 PolarHBondContact O-N 2.85Å; V801-S805 WeakPolarHBondContact O-CB 3.31Å; V801-S805 PolarHBondContact O-N 3.15Å; V801-S805 PolarHBondContact O-OG 3.05Å; V801-R855 HydrophobicContact CG2-CB 4.06Å; V801-V856 HydrophobicContact CG2-CG2 4.12Å; V801-M859 HydrophobicContact CG1-CG 4.12Å
802C87.3Confident82.8Confident7 Ų718.6 Ų18.65%0.04711%0.111CC..Hα-helixtrans-61.8-47.6175.5-67.50000110.9M726 Q730 D798 L800 F804 S805 N806M726-C802 HydrophobicContact CB-CB 3.64Å; Q730-C802 PolarHBondContact OE1-SG 3.42Å; D798-C802 VanDerWaalsContact O-CB 3.29Å; D798-C802 WeakPolarHBondContact O-CB 3.33Å; D798-C802 PolarHBondContact O-N 3.39Å; D798-C802 PolarHBondContact O-SG 3Å; L800-C802 VanDerWaalsContact C-N 3.33Å; L800-C802 PolarHBondContact O-N 3.45Å; C802-F804 PolarHBondContact O-N 2.94Å; C802-S805 PolarHBondContact O-N 3.48Å; C802-S805 PolarHBondContact O-OG 3.24Å; C802-N806 WeakPolarHBondContact O-CB 3.17Å; C802-N806 PolarHBondContact O-N 3.36Å; C802-N806 PolarHBondContact O-ND2 2.94Å; C802-N806 PolarHBondContact O-OD1 3.41Å
803A87.9Confident83.2Confident0 Ų019.1 Ų19.10%011%0.112CC..Hα-helixtrans-58.3-45.9177.800000112.5M726 M769 I772 I773 A799 L800 N806 L807M726-A803 HydrophobicContact CG-CB 4.14Å; M726-A803 HydrophobicContact SD-CB 3.93Å; M769-A803 HydrophobicContact CG-CB 4.04Å; I772-A803 HydrophobicContact CG2-CB 3.97Å; I773-A803 HydrophobicContact CD1-CB 4.33Å; I773-A803 HydrophobicContact CG1-CB 4.14Å; A799-A803 VanDerWaalsContact O-CB 3.31Å; A799-A803 WeakPolarHBondContact O-CB 3.45Å; A799-A803 PolarHBondContact O-N 3.2Å; L800-A803 PolarHBondContact O-N 2.77Å; A803-N806 PolarHBondContact O-N 3.25Å; A803-L807 WeakPolarHBondContact O-CB 3.28Å; A803-L807 PolarHBondContact O-N 3.21Å
804F88.6Confident83.2Confident1 Ų117.9 Ų17.90%0.00411%0.109CC..Hα-helixtrans-62.9-43.5175.1-83.1-70.6000112.1I773 L800 V801 C802 N806 L807 N808 I844 Y847 V856 M859 A860 L863I773-F804 HydrophobicContact CD1-CD1 4.4Å; I773-F804 HydrophobicContact CG1-CE1 4.47Å; I773-F804 HydrophobicContact CG1-CZ 4.4Å; I773-F804 HydrophobicContact CG2-CE1 3.97Å; I773-F804 HydrophobicContact CG2-CZ 3.89Å; L800-F804 HydrophobicContact CD2-CE2 4.25Å; L800-F804 WeakPolarHBondContact O-CD2 3.35Å; L800-F804 PolarHBondContact O-N 3.26Å; V801-F804 PolarHBondContact O-N 2.85Å; C802-F804 PolarHBondContact O-N 2.94Å; F804-N806 PolarHBondContact O-N 2.97Å; F804-L807 PolarHBondContact O-N 2.84Å; F804-N808 VanDerWaalsContact O-CB 3.28Å; F804-N808 WeakPolarHBondContact O-CB 3.36Å; F804-N808 PolarHBondContact O-N 3.5Å; F804-I844 HydrophobicContact CE1-CG1 4.06Å; F804-I844 HydrophobicContact CE1-CG2 4.02Å; F804-Y847 HydrophobicContact CE2-CD2 4.36Å; F804-Y847 HydrophobicContact CE2-CE2 4.24Å; F804-Y847 AromaticContact CZ-CD2 3.7Å; F804-Y847 HydrophobicContact CZ-CD2 3.7Å; F804-Y847 AromaticContact CZ-CE2 3.72Å; F804-Y847 HydrophobicContact CZ-CE2 3.72Å; F804-Y847 HydrophobicContact CZ-CG 4.32Å; F804-V856 HydrophobicContact CD2-CG1 4.15Å; F804-V856 HydrophobicContact CE2-CG1 3.67Å; F804-M859 HydrophobicContact CB-CB 3.67Å; F804-M859 HydrophobicContact CG-CB 4.16Å; F804-A860 HydrophobicContact CE1-CB 4.04Å; F804-A860 HydrophobicContact CZ-CB 4.17Å; F804-L863 HydrophobicContact CD1-CD2 3.87Å; F804-L863 HydrophobicContact CE1-CD2 4.16Å
805S86.3Confident82.8Confident17 Ų1723.3 Ų23.312%0.11913%0.126CC..Hα-helixtrans-65.2-38.7179.576.50000112.6V801 C802 N808 S809V801-S805 WeakPolarHBondContact O-CB 3.31Å; V801-S805 PolarHBondContact O-N 3.15Å; V801-S805 PolarHBondContact O-OG 3.05Å; C802-S805 PolarHBondContact O-N 3.48Å; C802-S805 PolarHBondContact O-OG 3.24Å; S805-N808 PolarHBondContact O-N 2.99Å; S805-S809 WeakPolarHBondContact O-CB 3.27Å; S805-S809 PolarHBondContact O-N 3.16Å; S805-S809 PolarHBondContact O-OG 3.47Å
806N86.6Confident81.9Confident1 Ų126.4 Ų26.41%0.00514%0.141CC..Hα-helixtrans-66-47.1176.3-68.5-18.9000110.4M726 I729 Q730 L733 M769 C802 A803 F804 N808 S809 L810M726-N806 PolarHBondContact O-ND2 3.09Å; I729-N806 HydrophobicContact CG2-CB 4.06Å; Q730-N806 WeakPolarHBondContact CA-OD1 3.47Å; Q730-N806 WeakPolarHBondContact CB-OD1 3.37Å; Q730-N806 PolarHBondContact N-OD1 2.88Å; L733-N806 HydrophobicContact CD1-CB 4.13Å; M769-N806 HydrophobicContact SD-CB 3.9Å; C802-N806 WeakPolarHBondContact O-CB 3.17Å; C802-N806 PolarHBondContact O-N 3.36Å; C802-N806 PolarHBondContact O-ND2 2.94Å; C802-N806 PolarHBondContact O-OD1 3.41Å; A803-N806 PolarHBondContact O-N 3.25Å; F804-N806 PolarHBondContact O-N 2.97Å; N806-N808 PolarHBondContact O-N 3.13Å; N806-S809 PolarHBondContact O-N 2.86Å; N806-L810 WeakPolarHBondContact O-CB 3.42Å; N806-L810 VanDerWaalsContact O-CG 3.28Å; N806-L810 WeakPolarHBondContact O-CG 3.29Å; N806-L810 PolarHBondContact O-N 3.46Å
807L86.2Confident80.6Confident0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-61.8-44176.5-176.660.2000111.5M769 I773 A803 F804 S809 L810 V811 L825 L829 L863M769-L807 HydrophobicContact CE-CB 4.28Å; M769-L807 HydrophobicContact CE-CD1 3.91Å; M769-L807 HydrophobicContact SD-CB 4.13Å; I773-L807 HydrophobicContact CD1-CB 4.29Å; I773-L807 HydrophobicContact CD1-CD2 3.52Å; A803-L807 WeakPolarHBondContact O-CB 3.28Å; A803-L807 PolarHBondContact O-N 3.21Å; F804-L807 PolarHBondContact O-N 2.84Å; L807-S809 VanDerWaalsContact C-N 3.32Å; L807-S809 PolarHBondContact O-N 3.41Å; L807-L810 PolarHBondContact O-N 3.44Å; L807-V811 HydrophobicContact CD1-CG2 4.26Å; L807-V811 HydrophobicContact CG-CG2 4.5Å; L807-V811 VanDerWaalsContact O-CG2 3.26Å; L807-V811 WeakPolarHBondContact O-CG2 3.31Å; L807-V811 PolarHBondContact O-N 2.92Å; L807-L825 HydrophobicContact CD1-CD1 4.15Å; L807-L825 HydrophobicContact CD1-CD2 4.21Å; L807-L825 HydrophobicContact CD1-CG 4.39Å; L807-L829 HydrophobicContact CD1-CD1 4.22Å; L807-L829 HydrophobicContact CD1-CD2 4.2Å; L807-L829 HydrophobicContact CD2-CD2 3.76Å; L807-L829 HydrophobicContact CG-CD2 4.46Å; L807-L863 HydrophobicContact CD2-CD1 4.33Å; L807-L863 HydrophobicContact CD2-CD2 3.5Å; L807-L863 VanDerWaalsContact CD2-CD2 3.5Å; L807-L863 HydrophobicContact CG-CD1 4.01Å; L807-L863 HydrophobicContact CG-CD2 4.06Å
808N86.3Confident79.3Confident30 Ų3040.8 Ų40.816%0.1621%0.211CC..Hα-helixtrans-61.4-42.1177.5-165.833.8000111.7F804 S805 N806 V811 S812 S862 L863 T866F804-N808 VanDerWaalsContact O-CB 3.28Å; F804-N808 WeakPolarHBondContact O-CB 3.36Å; F804-N808 PolarHBondContact O-N 3.5Å; S805-N808 PolarHBondContact O-N 2.99Å; N806-N808 PolarHBondContact O-N 3.13Å; N808-V811 PolarHBondContact O-N 3.01Å; N808-S812 WeakPolarHBondContact O-CB 3.29Å; N808-S812 PolarHBondContact O-N 3.36Å; N808-S812 PolarHBondContact O-OG 3.33Å; N808-S862 PolarHBondContact ND2-OG 3.01Å; N808-L863 HydrophobicContact CB-CD1 4.08Å; N808-T866 WeakPolarHBondContact OD1-CB 3.43Å; N808-T866 PolarHBondContact OD1-OG1 3.31Å
809S83Confident78Confident32 Ų3248.5 Ų48.522%0.22424%0.242CC..Hα-helixtrans-65.4-41.4175.8-58.30000112S805 N806 L807 V811 S812 N813S805-S809 WeakPolarHBondContact O-CB 3.27Å; S805-S809 PolarHBondContact O-N 3.16Å; S805-S809 PolarHBondContact O-OG 3.47Å; N806-S809 PolarHBondContact O-N 2.86Å; L807-S809 VanDerWaalsContact C-N 3.32Å; L807-S809 PolarHBondContact O-N 3.41Å; S809-V811 VanDerWaalsContact C-N 3.35Å; S809-S812 PolarHBondContact O-OG 3.24Å; S809-S812 VanDerWaalsContact O-OG 3.06Å; S809-N813 WeakPolarHBondContact O-CB 3.49Å; S809-N813 PolarHBondContact O-N 3.06Å; S809-N813 PolarHBondContact O-ND2 3.5Å
810L83.4Confident76.6Confident4 Ų453.4 Ų53.42%0.02127%0.268CS..Hα-helixtrans-66.4-36.8176.7-71167.9000112L733 E757 M760 M769 N806 L807 F814 L825L733-L810 HydrophobicContact CD1-CD1 4.48Å; L733-L810 HydrophobicContact CD1-CD2 4.19Å; L733-L810 HydrophobicContact CD1-CG 3.96Å; L733-L810 HydrophobicContact CD2-CD2 3.92Å; E757-L810 HydrophobicContact CG-CD2 4.13Å; M760-L810 HydrophobicContact CB-CD1 3.72Å; M760-L810 HydrophobicContact CB-CD2 4.16Å; M760-L810 HydrophobicContact CG-CD1 4.06Å; M769-L810 HydrophobicContact CE-CD1 4.05Å; N806-L810 WeakPolarHBondContact O-CB 3.42Å; N806-L810 VanDerWaalsContact O-CG 3.28Å; N806-L810 WeakPolarHBondContact O-CG 3.29Å; N806-L810 PolarHBondContact O-N 3.46Å; L807-L810 PolarHBondContact O-N 3.44Å; L810-F814 PolarHBondContact O-N 2.88Å; L810-L825 HydrophobicContact CB-CD2 4.23Å; L810-L825 HydrophobicContact CD1-CD2 4.09Å
811V82.6Confident75.6Confident2 Ų259 Ų591%0.01230%0.303CS..Hα-helixtrans-73.3-40.9178.1175.50000111.8L807 N808 S809 F814 M826 L829 L863 T866 V867L807-V811 HydrophobicContact CD1-CG2 4.26Å; L807-V811 HydrophobicContact CG-CG2 4.5Å; L807-V811 VanDerWaalsContact O-CG2 3.26Å; L807-V811 WeakPolarHBondContact O-CG2 3.31Å; L807-V811 PolarHBondContact O-N 2.92Å; N808-V811 PolarHBondContact O-N 3.01Å; S809-V811 VanDerWaalsContact C-N 3.35Å; V811-F814 PolarHBondContact O-N 2.89Å; V811-M826 HydrophobicContact CB-CE 4.18Å; V811-M826 HydrophobicContact CG1-CE 4.22Å; V811-M826 HydrophobicContact CG2-CE 3.88Å; V811-M826 HydrophobicContact CG2-SD 4.17Å; V811-L829 HydrophobicContact CG2-CD1 4.06Å; V811-L863 HydrophobicContact CG2-CD1 4.38Å; V811-T866 HydrophobicContact CB-CG2 4.44Å; V811-T866 HydrophobicContact CG1-CG2 3.99Å; V811-V867 HydrophobicContact CG1-CG2 4.25Å
812S79.3Confident74.9Confident48 Ų4861.8 Ų61.834%0.33632%0.317SS..Hα-helixtrans-66.3-39.4-179.765.10000112.5N808 S809 F814 K870N808-S812 WeakPolarHBondContact O-CB 3.29Å; N808-S812 PolarHBondContact O-N 3.36Å; N808-S812 PolarHBondContact O-OG 3.33Å; S809-S812 PolarHBondContact O-OG 3.24Å; S809-S812 VanDerWaalsContact O-OG 3.06Å; S812-F814 VanDerWaalsContact C-N 3.32Å; S812-K870 VanDerWaalsContact O-CE 3.29Å; S812-K870 WeakPolarHBondContact O-CE 3.43Å; S812-K870 PolarHBondContact O-NZ 3.45Å
813N73.8Confident74.3Confident50 Ų5061.5 Ų61.527%0.26732%0.315SS..THydrogen-bonded Turntrans-80.6-9.6-179.4-64.9-47.5000113.9R753 S809 F815R753-N813 PolarHBondContact NH2-ND2 3.23Å; R753-N813 PolarHBondContact NH2-OD1 3.09Å; S809-N813 WeakPolarHBondContact O-CB 3.49Å; S809-N813 PolarHBondContact O-N 3.06Å; S809-N813 PolarHBondContact O-ND2 3.5Å; N813-F815 WeakPolarHBondContact O-CD2 3.45Å; N813-F815 PolarHBondContact O-N 2.92Å
814F72.1Confident73.8Confident28 Ų2863.5 Ų63.512%0.12333%0.328CS..  trans-72.6127.1177.1-173.4-106.8000111L761 L810 V811 S812 L816 P823 M826 K870L761-F814 HydrophobicContact CD1-CD2 4.35Å; L761-F814 HydrophobicContact CD2-CD2 4.47Å; L810-F814 PolarHBondContact O-N 2.88Å; V811-F814 PolarHBondContact O-N 2.89Å; S812-F814 VanDerWaalsContact C-N 3.32Å; F814-L816 HydrophobicContact CD1-CD2 4.46Å; F814-L816 HydrophobicContact CD1-CG 4.4Å; F814-L816 HydrophobicContact CE1-CD2 3.83Å; F814-L816 HydrophobicContact CE1-CG 4.16Å; F814-P823 HydrophobicContact CD2-CG 4.03Å; F814-P823 HydrophobicContact CE1-CG 4.45Å; F814-P823 HydrophobicContact CE2-CG 3.23Å; F814-P823 HydrophobicContact CZ-CG 3.5Å; F814-M826 HydrophobicContact CB-CE 3.68Å; F814-M826 HydrophobicContact CD1-CE 3.8Å; F814-M826 HydrophobicContact CG-CE 3.75Å; F814-K870 PolarHBondContact O-NZ 2.95Å
815F64.9Low73.4Confident166 Ų16663.5 Ų63.573%0.72833%0.328SS*.  trans-99.8124.5173.4-69.2-84.2000109.8N813 D817N813-F815 WeakPolarHBondContact O-CD2 3.45Å; N813-F815 PolarHBondContact O-N 2.92Å; F815-D817 PolarHBondContact O-N 3.45Å
816L61.4Low73.1Confident100 Ų10062.7 Ų62.752%0.52432%0.322SS..  trans-79.592.8174.6-75.3159.9000109F814 F871F814-L816 HydrophobicContact CD1-CD2 4.46Å; F814-L816 HydrophobicContact CD1-CG 4.4Å; F814-L816 HydrophobicContact CE1-CD2 3.83Å; F814-L816 HydrophobicContact CE1-CG 4.16Å; L816-F871 HydrophobicContact CD1-CE1 4.38Å; L816-F871 HydrophobicContact CD2-CE1 4.13Å
817D57.5Low72.7Confident106 Ų10667.2 Ų67.257%0.56734%0.342SS*.  trans-84.8129.3165.8-88.3-16.3000109.7F815 K819 N820F815-D817 PolarHBondContact O-N 3.45Å; D817-K819 PolarHBondContact O-N 3.03Å; D817-N820 PolarHBondContact O-N 3.42Å
818E55.2Low72.3Confident207 Ų20769.2 Ų69.297%0.96735%0.353SS*.THydrogen-bonded Turntrans-53.5-18.4-179.2-67.9-175.7159.300114.3
819K56.8Low71.9Confident202 Ų20268 Ų6888%0.87835%0.346SS*.THydrogen-bonded Turntrans-94.3-15.7-177.1-64.8-177.2-179.4175.30114.6D817D817-K819 PolarHBondContact O-N 3.03Å
820N56.1Low71.6Confident102 Ų10268.3 Ų68.355%0.54534%0.344SS..SBendtrans-99.3128.4-172.4-75.6-26.7000112D817D817-N820 PolarHBondContact O-N 3.42Å
821T64.9Low71.2Confident119 Ų11974.3 Ų74.373%0.7338%0.376SS*.  trans-60.1137.1169.454.20000110.1
822L72.5Confident70.5Confident75 Ų7574.5 Ų74.539%0.39338%0.378SS..  trans-45.2125.8174.9-83.5129.7000111.2M826 K827 F871L822-M826 HydrophobicContact CD2-CB 3.74Å; L822-M826 HydrophobicContact CD2-CG 4.47Å; L822-K827 HydrophobicContact CB-CG 4.16Å; L822-K827 VanDerWaalsContact O-CE 3.31Å; L822-K827 WeakPolarHBondContact O-CE 3.36Å; L822-F871 HydrophobicContact CD2-CE1 4.11Å; L822-F871 HydrophobicContact CD2-CZ 4.45Å
823P75.8Confident70.1Confident1 Ų173.8 Ų73.81%0.00637%0.37CS..  trans-55.2147.5176.3-23.229.8000110.4L761 F814 L825 M826 K827L761-P823 HydrophobicContact CB-CB 4.21Å; L761-P823 HydrophobicContact CD2-CB 4.11Å; L761-P823 HydrophobicContact CD2-CG 4.25Å; F814-P823 HydrophobicContact CD2-CG 4.03Å; F814-P823 HydrophobicContact CE1-CG 4.45Å; F814-P823 HydrophobicContact CE2-CG 3.23Å; F814-P823 HydrophobicContact CZ-CG 3.5Å; P823-L825 PolarHBondContact O-N 3.34Å; P823-L825 VanDerWaalsContact O-N 3.14Å; P823-M826 HydrophobicContact CG-CG 4.37Å; P823-M826 WeakPolarHBondContact O-CA 3.34Å; P823-M826 WeakPolarHBondContact O-CB 3.44Å; P823-M826 PolarHBondContact O-N 3.41Å; P823-K827 PolarHBondContact O-N 2.95Å
824P76.7Confident69.5Low43 Ų4381.2 Ų81.228%0.27940%0.403SS..Hα-helixtrans-65.9-18.9-176.823.7-30.7000113.3L761 R766 K827 N828L761-P824 VanDerWaalsContact O-CD 3.27Å; L761-P824 WeakPolarHBondContact O-CD 3.24Å; R766-P824 VanDerWaalsContact CZ-C 3.49Å; R766-P824 VanDerWaalsContact NH1-CG 3.34Å; R766-P824 VanDerWaalsContact NH2-CB 3.26Å; P824-K827 PolarHBondContact O-N 2.83Å; P824-N828 PolarHBondContact O-N 3.45Å; P824-N828 PolarHBondContact O-OD1 2.94Å
825L80.3Confident68.9Low0 Ų083.7 Ų83.70%044%0.437CS..Hα-helixtrans-57.5-49.9163.4-179.567.5000112.4L761 R766 M769 L770 L807 L810 P823 K827 N828 L829L761-L825 HydrophobicContact CD2-CB 4.39Å; L761-L825 HydrophobicContact CD2-CD2 3.87Å; R766-L825 HydrophobicContact CB-CD1 3.95Å; R766-L825 VanDerWaalsContact CD-CA 3.46Å; R766-L825 HydrophobicContact CG-CD1 4.37Å; M769-L825 HydrophobicContact CE-CD1 3.93Å; L770-L825 HydrophobicContact CD1-CD1 4.16Å; L770-L825 HydrophobicContact CD2-CD1 3.87Å; L770-L825 HydrophobicContact CG-CD1 4.19Å; L807-L825 HydrophobicContact CD1-CD1 4.15Å; L807-L825 HydrophobicContact CD1-CD2 4.21Å; L807-L825 HydrophobicContact CD1-CG 4.39Å; L810-L825 HydrophobicContact CB-CD2 4.23Å; L810-L825 HydrophobicContact CD1-CD2 4.09Å; P823-L825 PolarHBondContact O-N 3.34Å; P823-L825 VanDerWaalsContact O-N 3.14Å; L825-K827 VanDerWaalsContact C-N 3.34Å; L825-N828 PolarHBondContact O-N 3.43Å; L825-L829 PolarHBondContact O-N 2.76Å
826M78.7Confident68.8Low0 Ų079.6 Ų79.60%042%0.422CS..Hα-helixtrans-66.5-38.4-179.5-64.5-64.1-171.100111.1V811 F814 L822 P823 N828 L829 F830 F871V811-M826 HydrophobicContact CB-CE 4.18Å; V811-M826 HydrophobicContact CG1-CE 4.22Å; V811-M826 HydrophobicContact CG2-CE 3.88Å; V811-M826 HydrophobicContact CG2-SD 4.17Å; F814-M826 HydrophobicContact CB-CE 3.68Å; F814-M826 HydrophobicContact CD1-CE 3.8Å; F814-M826 HydrophobicContact CG-CE 3.75Å; L822-M826 HydrophobicContact CD2-CB 3.74Å; L822-M826 HydrophobicContact CD2-CG 4.47Å; P823-M826 HydrophobicContact CG-CG 4.37Å; P823-M826 WeakPolarHBondContact O-CA 3.34Å; P823-M826 WeakPolarHBondContact O-CB 3.44Å; P823-M826 PolarHBondContact O-N 3.41Å; M826-N828 VanDerWaalsContact C-N 3.34Å; M826-N828 PolarHBondContact O-N 3.41Å; M826-L829 WeakPolarHBondContact O-CB 3.15Å; M826-L829 PolarHBondContact O-N 3.12Å; M826-L829 HydrophobicContact SD-CD1 3.85Å; M826-F830 WeakPolarHBondContact O-CD2 3.37Å; M826-F830 PolarHBondContact O-N 3.44Å; M826-F871 HydrophobicContact CE-CZ 4.41Å; M826-F871 HydrophobicContact SD-CE2 4.12Å; M826-F871 HydrophobicContact SD-CZ 4Å
827K79.7Confident69Low97 Ų9780.8 Ų80.842%0.42244%0.436SS..Hα-helixtrans-60.2-42.5173.6-66.9-176.6177.7176.90112.2L822 P823 P824 L825 L829 F830 N831L822-K827 HydrophobicContact CB-CG 4.16Å; L822-K827 VanDerWaalsContact O-CE 3.31Å; L822-K827 WeakPolarHBondContact O-CE 3.36Å; P823-K827 PolarHBondContact O-N 2.95Å; P824-K827 PolarHBondContact O-N 2.83Å; L825-K827 VanDerWaalsContact C-N 3.34Å; K827-L829 VanDerWaalsContact C-N 3.3Å; K827-L829 PolarHBondContact O-N 2.92Å; K827-F830 PolarHBondContact O-N 3.21Å; K827-N831 WeakPolarHBondContact O-CB 3.4Å; K827-N831 PolarHBondContact O-N 2.85Å
828N77.2Confident69.7Low42 Ų4278.3 Ų78.323%0.22543%0.425CS..Hα-helixtrans-66.6-29.5178.5-68.8-0.7000112.8R766 L770 P824 L825 M826 G832R766-N828 PolarHBondContact NE-ND2 3.28Å; L770-N828 HydrophobicContact CD1-CB 3.64Å; L770-N828 WeakPolarHBondContact CD1-ND2 3.41Å; P824-N828 PolarHBondContact O-N 3.45Å; P824-N828 PolarHBondContact O-OD1 2.94Å; L825-N828 PolarHBondContact O-N 3.43Å; M826-N828 VanDerWaalsContact C-N 3.34Å; M826-N828 PolarHBondContact O-N 3.41Å; N828-G832 CarbonylContact O-C 3.51Å; N828-G832 WeakPolarHBondContact O-CA 3.42Å; N828-G832 PolarHBondContact O-N 3.21Å; N828-G832 VanDerWaalsContact O-N 3.07Å
829L78.5Confident70.9Confident3 Ų369.8 Ų69.82%0.01639%0.387CS..Hα-helixtrans-63.3-42.8174.8-72.9167.5000111.9L807 V811 L825 M826 K827 L840 L841 I844L807-L829 HydrophobicContact CD1-CD1 4.22Å; L807-L829 HydrophobicContact CD1-CD2 4.2Å; L807-L829 HydrophobicContact CD2-CD2 3.76Å; L807-L829 HydrophobicContact CG-CD2 4.46Å; V811-L829 HydrophobicContact CG2-CD1 4.06Å; L825-L829 PolarHBondContact O-N 2.76Å; M826-L829 WeakPolarHBondContact O-CB 3.15Å; M826-L829 PolarHBondContact O-N 3.12Å; M826-L829 HydrophobicContact SD-CD1 3.85Å; K827-L829 VanDerWaalsContact C-N 3.3Å; K827-L829 PolarHBondContact O-N 2.92Å; L829-L840 HydrophobicContact CD2-CD2 3.89Å; L829-L841 PolarHBondContact O-N 3.46Å; L829-I844 HydrophobicContact CD2-CD1 4.34Å
830F77.3Confident72.1Confident40 Ų4060.2 Ų60.218%0.17535%0.346CS..Hα-helixtrans-84.4-40.7-178.2-66.4-68.8000113.6M826 K827 P839 L841 F871 A874 T878M826-F830 WeakPolarHBondContact O-CD2 3.37Å; M826-F830 PolarHBondContact O-N 3.44Å; K827-F830 PolarHBondContact O-N 3.21Å; F830-P839 VanDerWaalsContact O-CB 3.24Å; F830-P839 WeakPolarHBondContact O-CB 3.24Å; F830-L841 HydrophobicContact CD1-CD1 3.67Å; F830-L841 HydrophobicContact CE1-CD1 3.66Å; F830-F871 HydrophobicContact CE2-CD1 4.38Å; F830-F871 HydrophobicContact CE2-CD2 4.37Å; F830-F871 HydrophobicContact CE2-CE1 4.31Å; F830-F871 HydrophobicContact CE2-CE2 4.29Å; F830-F871 HydrophobicContact CE2-CG 4.41Å; F830-F871 HydrophobicContact CE2-CZ 4.26Å; F830-F871 HydrophobicContact CZ-CB 4.15Å; F830-F871 HydrophobicContact CZ-CD1 4.11Å; F830-F871 AromaticContact CZ-CD2 3.8Å; F830-F871 HydrophobicContact CZ-CD2 3.8Å; F830-F871 HydrophobicContact CZ-CE1 4.45Å; F830-F871 HydrophobicContact CZ-CE2 4.16Å; F830-F871 AromaticContact CZ-CG 3.76Å; F830-F871 HydrophobicContact CZ-CG 3.76Å; F830-F871 HydrophobicContact CZ-CZ 4.47Å; F830-A874 HydrophobicContact CE1-CB 3.89Å; F830-T878 HydrophobicContact CD1-CG2 3.66Å; F830-T878 HydrophobicContact CE1-CG2 4.3Å
831N73.3Confident73.4Confident130 Ų13055.4 Ų55.470%0.69532%0.32SS*.Hα-helixtrans-95.8-5.4-172.5-63.6-11.6000113.7K827K827-N831 WeakPolarHBondContact O-CB 3.4Å; K827-N831 PolarHBondContact O-N 2.85Å
832G69.6Low74.3Confident6 Ų650.1 Ų50.16%0.06229%0.288CS..  trans80.7-176.8-173.600000113.3N828N828-G832 CarbonylContact O-C 3.51Å; N828-G832 WeakPolarHBondContact O-CA 3.42Å; N828-G832 PolarHBondContact O-N 3.21Å; N828-G832 VanDerWaalsContact O-N 3.07Å
833L69.3Low74.8Confident33 Ų3347.3 Ų47.317%0.17327%0.273CS..  trans-91.5148.2173.5-68.6171.2000109.7L770 R771 A774 G835 N836L770-L833 HydrophobicContact CB-CD1 4.3Å; L770-L833 HydrophobicContact CB-CD2 3.89Å; L770-L833 HydrophobicContact CD1-CD2 3.94Å; R771-L833 HydrophobicContact CG-CD1 4.05Å; A774-L833 HydrophobicContact CB-CD1 3.54Å; L833-G835 PolarHBondContact O-N 2.72Å; L833-G835 VanDerWaalsContact O-N 3.11Å; L833-N836 PolarHBondContact O-N 2.78Å
834E60.9Low75.3Confident206 Ų20647.2 Ų47.296%0.96327%0.273SS*.THydrogen-bonded Turntrans-53.3120173.9-65.8-175.7177.700110.1
835G60.1Low75.6Confident80 Ų8045.2 Ų45.283%0.82526%0.259SS*.THydrogen-bonded Turntrans104-17.4-178.800000115.9L833L833-G835 PolarHBondContact O-N 2.72Å; L833-G835 VanDerWaalsContact O-N 3.11Å
836N63.7Low75.8Confident79 Ų7948.2 Ų48.242%0.42227%0.272SS..  trans-107.7121.7175.2-82.1-24.3000111L833 T838L833-N836 PolarHBondContact O-N 2.78Å; N836-T838 PolarHBondContact O-N 2.94Å
837P65.2Low76.1Confident126 Ų12648.2 Ų48.282%0.81827%0.272SS*.SBendtrans-72.9-18.1-179.330.2-35.1000112.8
838T72.3Confident76.2Confident53 Ų5343.6 Ų43.633%0.32525%0.252SS..SBendtrans-85.8126.3-17953.50000111N836N836-T838 PolarHBondContact O-N 2.94Å
839P79.2Confident75.9Confident28 Ų2842.2 Ų42.218%0.18224%0.244CC..  trans-63144.8175.823.7-29.2000110.6F830 L841 T842 I843 T878F830-P839 VanDerWaalsContact O-CB 3.24Å; F830-P839 WeakPolarHBondContact O-CB 3.24Å; P839-L841 VanDerWaalsContact C-N 3.26Å; P839-L841 PolarHBondContact O-N 3.09Å; P839-T842 WeakPolarHBondContact O-CB 3.21Å; P839-T842 PolarHBondContact O-N 3.33Å; P839-I843 PolarHBondContact O-N 3.33Å; P839-T878 WeakPolarHBondContact CG-O 3.38Å
840L82.7Confident75.6Confident2 Ų242.1 Ų42.11%0.0124%0.244CC..Hα-helixtrans-62.6-34.1-172.4-174.562.4000111.9L770 I773 A774 L829 T842 I843 I844L770-L840 HydrophobicContact CB-CD2 4.41Å; L770-L840 HydrophobicContact CD2-CD2 3.5Å; L770-L840 VanDerWaalsContact CD2-CD2 3.5Å; L770-L840 HydrophobicContact CG-CD2 4.48Å; I773-L840 HydrophobicContact CG2-CD1 4Å; I773-L840 HydrophobicContact CG2-CG 4.45Å; A774-L840 HydrophobicContact CB-CD1 3.87Å; L829-L840 HydrophobicContact CD2-CD2 3.89Å; L840-T842 PolarHBondContact O-N 3.21Å; L840-I843 HydrophobicContact CD1-CB 4.38Å; L840-I843 HydrophobicContact CD1-CD1 4.16Å; L840-I843 CarbonylContact O-C 3.53Å; L840-I843 WeakPolarHBondContact O-CA 3.48Å; L840-I843 WeakPolarHBondContact O-CB 3.46Å; L840-I843 PolarHBondContact O-N 3.46Å; L840-I844 HydrophobicContact CG-CD1 4.16Å; L840-I844 WeakPolarHBondContact O-CG1 3.44Å; L840-I844 PolarHBondContact O-N 3.36Å
841L84.2Confident75.1Confident0 Ų042 Ų420%024%0.242CC..Hα-helixtrans-57.9-35.3173.8-74.9168.8000113.1L829 F830 P839 I844 A845 L864 V867 L875 T878 F879L829-L841 PolarHBondContact O-N 3.46Å; F830-L841 HydrophobicContact CD1-CD1 3.67Å; F830-L841 HydrophobicContact CE1-CD1 3.66Å; P839-L841 VanDerWaalsContact C-N 3.26Å; P839-L841 PolarHBondContact O-N 3.09Å; L841-I844 HydrophobicContact CD2-CD1 4.24Å; L841-I844 PolarHBondContact O-N 3.09Å; L841-A845 WeakPolarHBondContact O-CB 3.28Å; L841-A845 PolarHBondContact O-N 3.45Å; L841-L864 HydrophobicContact CD2-CD2 4.24Å; L841-V867 HydrophobicContact CD1-CG1 4.39Å; L841-V867 HydrophobicContact CD2-CG1 4.1Å; L841-V867 HydrophobicContact CD2-CG2 4.28Å; L841-L875 HydrophobicContact CD1-CD2 4.35Å; L841-T878 HydrophobicContact CD1-CG2 3.98Å; L841-F879 HydrophobicContact CB-CE1 4.38Å
842T83.8Confident74.6Confident8 Ų837.2 Ų37.25%0.04922%0.217CC..Hα-helixtrans-69.2-36.8174.6-60.10000111.2P839 L840 A845 K846 T878 F882P839-T842 WeakPolarHBondContact O-CB 3.21Å; P839-T842 PolarHBondContact O-N 3.33Å; L840-T842 PolarHBondContact O-N 3.21Å; T842-A845 PolarHBondContact O-N 2.87Å; T842-K846 WeakPolarHBondContact O-CG 3.43Å; T842-K846 PolarHBondContact O-N 3.45Å; T842-T878 PolarHBondContact OG1-O 3.5Å; T842-T878 VanDerWaalsContact OG1-O 3.13Å; T842-F882 HydrophobicContact CG2-CB 3.84Å; T842-F882 HydrophobicContact CG2-CD1 3.72Å; T842-F882 HydrophobicContact CG2-CE1 4.42Å; T842-F882 HydrophobicContact CG2-CG 3.77Å
843I82.8Confident74.7Confident16 Ų1637.8 Ų37.88%0.08222%0.219CC..Hα-helixtrans-65.3-42.4172.8-56.5174.7000110.4A774 P839 L840 A845 K846 Y847A774-I843 HydrophobicContact CB-CD1 4.36Å; P839-I843 PolarHBondContact O-N 3.33Å; L840-I843 HydrophobicContact CD1-CB 4.38Å; L840-I843 HydrophobicContact CD1-CD1 4.16Å; L840-I843 CarbonylContact O-C 3.53Å; L840-I843 WeakPolarHBondContact O-CA 3.48Å; L840-I843 WeakPolarHBondContact O-CB 3.46Å; L840-I843 PolarHBondContact O-N 3.46Å; I843-A845 VanDerWaalsContact C-N 3.33Å; I843-A845 PolarHBondContact O-N 2.89Å; I843-K846 WeakPolarHBondContact O-CB 3.49Å; I843-K846 PolarHBondContact O-N 2.77Å; I843-K846 VanDerWaalsContact O-N 3.15Å; I843-Y847 HydrophobicContact CG2-CE2 4.25Å; I843-Y847 WeakPolarHBondContact O-CD2 3.43Å; I843-Y847 PolarHBondContact O-N 2.84Å
844I85.6Confident75Confident0 Ų037.6 Ų37.60%022%0.219CC..Hα-helixtrans-58.9-46.7176-67.2163.9000110.4I773 F804 L829 L840 L841 K846 Y847 A860 L863 L864I773-I844 HydrophobicContact CG2-CD1 4.26Å; I773-I844 HydrophobicContact CG2-CG1 3.7Å; F804-I844 HydrophobicContact CE1-CG1 4.06Å; F804-I844 HydrophobicContact CE1-CG2 4.02Å; L829-I844 HydrophobicContact CD2-CD1 4.34Å; L840-I844 HydrophobicContact CG-CD1 4.16Å; L840-I844 WeakPolarHBondContact O-CG1 3.44Å; L840-I844 PolarHBondContact O-N 3.36Å; L841-I844 HydrophobicContact CD2-CD1 4.24Å; L841-I844 PolarHBondContact O-N 3.09Å; I844-K846 VanDerWaalsContact C-N 3.28Å; I844-K846 PolarHBondContact O-N 2.87Å; I844-Y847 WeakPolarHBondContact O-CB 3.21Å; I844-Y847 PolarHBondContact O-N 2.86Å; I844-Y847 VanDerWaalsContact O-N 3.1Å; I844-A860 HydrophobicContact CG2-CB 4.09Å; I844-L863 HydrophobicContact CD1-CD2 3.7Å; I844-L863 HydrophobicContact CG1-CD2 4.45Å; I844-L863 HydrophobicContact CG2-CD2 4.29Å; I844-L864 HydrophobicContact CG2-CD1 4.47Å; I844-L864 HydrophobicContact CG2-CD2 4.13Å; I844-L864 HydrophobicContact CG2-CG 4.01Å
845A84.4Confident75.9Confident0 Ų033.9 Ų33.90%020%0.197CC..Hα-helixtrans-63.6-32.7177.400000112.6L841 T842 I843 Y847 L848 L864 F879 F882 F886L841-A845 WeakPolarHBondContact O-CB 3.28Å; L841-A845 PolarHBondContact O-N 3.45Å; T842-A845 PolarHBondContact O-N 2.87Å; I843-A845 VanDerWaalsContact C-N 3.33Å; I843-A845 PolarHBondContact O-N 2.89Å; A845-Y847 PolarHBondContact O-N 3.26Å; A845-L848 WeakPolarHBondContact O-CB 3.3Å; A845-L848 WeakPolarHBondContact O-CG 3.49Å; A845-L848 PolarHBondContact O-N 2.94Å; A845-L848 VanDerWaalsContact O-N 3.16Å; A845-L864 HydrophobicContact CB-CD1 4.35Å; A845-F879 HydrophobicContact CB-CD1 4.45Å; A845-F879 HydrophobicContact CB-CE1 3.68Å; A845-F879 HydrophobicContact CB-CZ 3.81Å; A845-F882 HydrophobicContact CB-CD1 4.46Å; A845-F882 HydrophobicContact CB-CE1 3.73Å; A845-F886 HydrophobicContact CB-CD2 3.83Å; A845-F886 HydrophobicContact CB-CE2 4.03Å
846K84.4Confident77.1Confident63 Ų6330.1 Ų30.127%0.27416%0.157SC..Hα-helixtrans-64.7-19.8173.4-75.4177.4178-168.70113.9E777 T842 I843 I844 L848 Y849 F882E777-K846 WeakPolarHBondContact CB-O 3.04Å; T842-K846 WeakPolarHBondContact O-CG 3.43Å; T842-K846 PolarHBondContact O-N 3.45Å; I843-K846 WeakPolarHBondContact O-CB 3.49Å; I843-K846 PolarHBondContact O-N 2.77Å; I843-K846 VanDerWaalsContact O-N 3.15Å; I844-K846 VanDerWaalsContact C-N 3.28Å; I844-K846 PolarHBondContact O-N 2.87Å; K846-L848 PolarHBondContact O-N 2.9Å; K846-L848 VanDerWaalsContact O-N 3.15Å; K846-Y849 WeakPolarHBondContact O-CB 3.49Å; K846-Y849 WeakPolarHBondContact O-CD2 3.39Å; K846-Y849 PolarHBondContact O-N 3.37Å; K846-F882 HydrophobicContact CB-CZ 4.44Å; K846-F882 HydrophobicContact CD-CE2 4.42Å; K846-F882 HydrophobicContact CG-CD2 4.48Å; K846-F882 HydrophobicContact CG-CE1 4.16Å; K846-F882 HydrophobicContact CG-CE2 3.68Å; K846-F882 HydrophobicContact CG-CZ 3.47Å; K846-F882 VanDerWaalsContact CG-CZ 3.47Å
847Y84.2Confident78.1Confident0 Ų026.4 Ų26.40%014%0.137CC..G310 helixtrans-66.1-12.2172.8-74.8-79.2000113.6I773 T775 G776 E777 L780 F804 I843 I844 A845 Y849 S850 V856 T857I773-Y847 WeakPolarHBondContact O-CE2 3.13Å; I773-Y847 PolarHBondContact O-OH 3.46Å; T775-Y847 PolarHBondContact OG1-OH 2.9Å; G776-Y847 WeakPolarHBondContact CA-OH 3.39Å; G776-Y847 PolarHBondContact N-OH 3.45Å; E777-Y847 HydrophobicContact CB-CD1 4.24Å; L780-Y847 HydrophobicContact CB-CE1 4.3Å; L780-Y847 HydrophobicContact CD2-CD1 4.06Å; L780-Y847 HydrophobicContact CD2-CE1 3.74Å; F804-Y847 HydrophobicContact CE2-CD2 4.36Å; F804-Y847 HydrophobicContact CE2-CE2 4.24Å; F804-Y847 AromaticContact CZ-CD2 3.7Å; F804-Y847 HydrophobicContact CZ-CD2 3.7Å; F804-Y847 AromaticContact CZ-CE2 3.72Å; F804-Y847 HydrophobicContact CZ-CE2 3.72Å; F804-Y847 HydrophobicContact CZ-CG 4.32Å; I843-Y847 HydrophobicContact CG2-CE2 4.25Å; I843-Y847 WeakPolarHBondContact O-CD2 3.43Å; I843-Y847 PolarHBondContact O-N 2.84Å; I844-Y847 WeakPolarHBondContact O-CB 3.21Å; I844-Y847 PolarHBondContact O-N 2.86Å; I844-Y847 VanDerWaalsContact O-N 3.1Å; A845-Y847 PolarHBondContact O-N 3.26Å; Y847-Y849 PolarHBondContact O-N 3.5Å; Y847-S850 WeakPolarHBondContact O-CB 3.47Å; Y847-S850 PolarHBondContact O-N 3.26Å; Y847-V856 HydrophobicContact CD1-CG1 3.81Å; Y847-V856 HydrophobicContact CE1-CG1 4.2Å; Y847-V856 HydrophobicContact CG-CG1 4.29Å; Y847-T857 PolarHBondContact O-OG1 3.18Å
848L80.6Confident79.1Confident1 Ų120.9 Ų20.91%0.00510%0.102CC..G310 helixtrans-58.8-24.9167-75.5169.8000113.4A845 K846 S850 T857 V861 F886 I889 F890 R893A845-L848 WeakPolarHBondContact O-CB 3.3Å; A845-L848 WeakPolarHBondContact O-CG 3.49Å; A845-L848 PolarHBondContact O-N 2.94Å; A845-L848 VanDerWaalsContact O-N 3.16Å; K846-L848 PolarHBondContact O-N 2.9Å; K846-L848 VanDerWaalsContact O-N 3.15Å; L848-S850 VanDerWaalsContact C-N 3.28Å; L848-T857 HydrophobicContact CD2-CG2 3.89Å; L848-V861 HydrophobicContact CD2-CG2 3.54Å; L848-V861 HydrophobicContact CG-CG2 4.44Å; L848-F886 HydrophobicContact CD1-CD2 3.66Å; L848-F886 HydrophobicContact CD1-CE2 3.26Å; L848-F886 HydrophobicContact CD1-CZ 4.11Å; L848-I889 HydrophobicContact CB-CG1 4.26Å; L848-I889 HydrophobicContact CB-CG2 4.1Å; L848-I889 HydrophobicContact CD1-CG2 4.35Å; L848-F890 HydrophobicContact CD1-CD2 4.49Å; L848-R893 PolarHBondContact O-NE 3.38Å; L848-R893 PolarHBondContact O-NH2 3.37Å
849Y72.5Confident79.8Confident12 Ų1220.7 Ų20.75%0.04710%0.098CC..G310 helixtrans-73.3-20.6173.5-69.7-82.9000112.5Y103 F105 K846 Y847 R851 F882 A885 I889 R893Y103-Y849 WeakPolarHBondContact O-CD1 3.4Å; F105-Y849 PolarHBondContact O-OH 3.26Å; K846-Y849 WeakPolarHBondContact O-CB 3.49Å; K846-Y849 WeakPolarHBondContact O-CD2 3.39Å; K846-Y849 PolarHBondContact O-N 3.37Å; Y847-Y849 PolarHBondContact O-N 3.5Å; Y849-R851 PolarHBondContact O-N 2.94Å; Y849-R851 VanDerWaalsContact O-N 3.15Å; Y849-F882 AromaticContact CE2-CE2 3.97Å; Y849-F882 HydrophobicContact CE2-CE2 3.97Å; Y849-F882 AromaticContact CE2-CZ 3.87Å; Y849-F882 HydrophobicContact CE2-CZ 3.87Å; Y849-A885 PolarHBondContact OH-O 3.09Å; Y849-I889 HydrophobicContact CD1-CB 4.44Å; Y849-I889 HydrophobicContact CD1-CD1 3.82Å; Y849-I889 HydrophobicContact CD1-CG1 3.87Å; Y849-I889 HydrophobicContact CD2-CG1 4.49Å; Y849-I889 HydrophobicContact CE1-CB 3.9Å; Y849-I889 HydrophobicContact CE1-CD1 3.9Å; Y849-I889 HydrophobicContact CE1-CG1 3.84Å; Y849-I889 HydrophobicContact CE1-CG2 4.47Å; Y849-I889 HydrophobicContact CE2-CB 4.33Å; Y849-I889 HydrophobicContact CE2-CG1 4.46Å; Y849-I889 HydrophobicContact CE2-CG2 4.01Å; Y849-I889 HydrophobicContact CG-CG1 4.21Å; Y849-R893 PolarHBondContact O-NH2 3.35Å; Y849-R893 VanDerWaalsContact O-NH2 3.08Å
850S72.4Confident80.3Confident2 Ų219.4 Ų19.41%0.0149%0.089CC..  trans-64.3118.2-178.3-166.20000111.3Y847 L848 T857 R893Y847-S850 WeakPolarHBondContact O-CB 3.47Å; Y847-S850 PolarHBondContact O-N 3.26Å; L848-S850 VanDerWaalsContact C-N 3.28Å; S850-T857 PolarHBondContact O-OG1 3.39Å; S850-R893 PolarHBondContact O-NH2 2.93Å
851R66.2Low80.6Confident38 Ų3819.4 Ų19.414%0.1439%0.089CC..  trans-97-34.4177.9-60.1157.3-178.1-127.8-94.6112.6E17 Y103 Y849 C853 R893E17-R851 WeakPolarHBondContact OE2-CD 3.26Å; E17-R851 IonicContact OE2-CZ 2.73Å; E17-R851 IonicContact OE2-NE 2.76Å; E17-R851 IonicContact OE2-NH1 3.14Å; Y103-R851 VanDerWaalsContact CG-CZ 3.42Å; Y849-R851 PolarHBondContact O-N 2.94Å; Y849-R851 VanDerWaalsContact O-N 3.15Å; R851-C853 VanDerWaalsContact C-N 3.26Å; R851-C853 PolarHBondContact O-N 2.79Å; R851-R893 VanDerWaalsContact CG-NH2 3.32Å
852L62.2Low80.8Confident29 Ų2920.7 Ų20.715%0.15210%0.098CC..SBendtrans-68.6-23.8-175-62.1169.5000113.2E17 W20 Y139 L784E17-L852 HydrophobicContact CG-CD2 3.56Å; E17-L852 HydrophobicContact CG-CG 4.39Å; E17-L852 WeakPolarHBondContact OE1-CD2 3.35Å; E17-L852 WeakPolarHBondContact OE1-CG 3.35Å; W20-L852 HydrophobicContact CZ3-CD2 4.42Å; Y139-L852 HydrophobicContact CE1-CD2 4.25Å; Y139-L852 VanDerWaalsContact OH-CD1 3.31Å; Y139-L852 WeakPolarHBondContact OH-CD1 3.39Å; Y139-L852 WeakPolarHBondContact OH-CD2 3.32Å; L784-L852 HydrophobicContact CB-CD1 3.55Å; L784-L852 HydrophobicContact CD1-CB 3.8Å; L784-L852 HydrophobicContact CD1-CD1 3.92Å; L784-L852 HydrophobicContact CG-CD1 4.41Å
853C71.4Confident81Confident17 Ų1720.3 Ų20.312%0.11510%0.096CC..  trans-141.477.3-168.2-71.40000112L784 V797 R851 R855 V856 T857L784-C853 HydrophobicContact CD1-CB 4.48Å; L784-C853 WeakPolarHBondContact CD1-SG 3.47Å; V797-C853 HydrophobicContact CG2-CB 4.41Å; V797-C853 WeakPolarHBondContact CG2-SG 3.3Å; R851-C853 VanDerWaalsContact C-N 3.26Å; R851-C853 PolarHBondContact O-N 2.79Å; C853-R855 PolarHBondContact O-N 3.25Å; C853-V856 HydrophobicContact CB-CB 4.32Å; C853-V856 HydrophobicContact CB-CG2 3.98Å; C853-V856 PolarHBondContact O-N 3.21Å; C853-T857 PolarHBondContact O-N 2.96Å; C853-T857 PolarHBondContact O-OG1 3.22Å
854V76.2Confident81.3Confident29 Ų2919.7 Ų19.718%0.1769%0.093CC..Hα-helixtrans-59.4-31178.4-174.60000112.2V856 T857 V858 E900 L903V854-V856 VanDerWaalsContact C-N 3.3Å; V854-V856 PolarHBondContact O-N 3.1Å; V854-T857 WeakPolarHBondContact O-CB 3.27Å; V854-T857 PolarHBondContact O-N 3.49Å; V854-T857 VanDerWaalsContact O-N 3.12Å; V854-V858 HydrophobicContact CG1-CG2 3.88Å; V854-V858 WeakPolarHBondContact O-CB 3.41Å; V854-V858 VanDerWaalsContact O-CG2 3.23Å; V854-V858 WeakPolarHBondContact O-CG2 3.45Å; V854-V858 PolarHBondContact O-N 3.06Å; V854-E900 WeakPolarHBondContact CB-OE2 3.17Å; V854-E900 HydrophobicContact CG1-CB 4.34Å; V854-E900 HydrophobicContact CG1-CG 4.31Å; V854-E900 WeakPolarHBondContact CG1-OE2 3.41Å; V854-E900 WeakPolarHBondContact CG2-OE2 3.36Å; V854-L903 HydrophobicContact CG1-CB 3.78Å; V854-L903 HydrophobicContact CG1-CD2 4.18Å; V854-L903 HydrophobicContact CG1-CG 4.4Å
855R80.4Confident81.5Confident129 Ų12920.8 Ų20.849%0.48710%0.1SC..Hα-helixtrans-53.3-43.7172.3-69.6176.664.8-148.6-3.5112.8D798 V801 C853 M859D798-R855 IonicContact OD1-CZ 3.89Å; D798-R855 VanDerWaalsContact OD1-CZ 3.28Å; D798-R855 IonicContact OD1-NH1 3.57Å; D798-R855 PolarHBondContact OD1-NH1 3Å; D798-R855 IonicContact OD1-NH2 3.91Å; D798-R855 PolarHBondContact OD1-NH2 3.04Å; V801-R855 HydrophobicContact CG2-CB 4.06Å; C853-R855 PolarHBondContact O-N 3.25Å; R855-M859 VanDerWaalsContact O-CG 3.29Å; R855-M859 WeakPolarHBondContact O-CG 3.45Å; R855-M859 PolarHBondContact O-N 3.23Å
856V85Confident81.6Confident0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-69-43.1178.6179.20000109.9L780 V797 L800 V801 F804 Y847 C853 V854 V858 M859 A860L780-V856 HydrophobicContact CD2-CG1 4.44Å; V797-V856 HydrophobicContact CG1-CG2 4.09Å; L800-V856 HydrophobicContact CB-CG1 4.48Å; L800-V856 HydrophobicContact CB-CG2 4.14Å; V801-V856 HydrophobicContact CG2-CG2 4.12Å; F804-V856 HydrophobicContact CD2-CG1 4.15Å; F804-V856 HydrophobicContact CE2-CG1 3.67Å; Y847-V856 HydrophobicContact CD1-CG1 3.81Å; Y847-V856 HydrophobicContact CE1-CG1 4.2Å; Y847-V856 HydrophobicContact CG-CG1 4.29Å; C853-V856 HydrophobicContact CB-CB 4.32Å; C853-V856 HydrophobicContact CB-CG2 3.98Å; C853-V856 PolarHBondContact O-N 3.21Å; V854-V856 VanDerWaalsContact C-N 3.3Å; V854-V856 PolarHBondContact O-N 3.1Å; V856-V858 PolarHBondContact O-N 2.93Å; V856-M859 PolarHBondContact O-N 3.39Å; V856-A860 WeakPolarHBondContact O-CB 3.24Å; V856-A860 PolarHBondContact O-N 3.14Å
857T85.1Confident81.6Confident1 Ų119 Ų191%0.0069%0.094CC..Hα-helixtrans-61-44.2177.9-47.60000112.2Y847 L848 S850 C853 V854 M859 A860 V861 L903Y847-T857 PolarHBondContact O-OG1 3.18Å; L848-T857 HydrophobicContact CD2-CG2 3.89Å; S850-T857 PolarHBondContact O-OG1 3.39Å; C853-T857 PolarHBondContact O-N 2.96Å; C853-T857 PolarHBondContact O-OG1 3.22Å; V854-T857 WeakPolarHBondContact O-CB 3.27Å; V854-T857 PolarHBondContact O-N 3.49Å; V854-T857 VanDerWaalsContact O-N 3.12Å; T857-M859 VanDerWaalsContact C-N 3.34Å; T857-M859 PolarHBondContact O-N 2.83Å; T857-A860 PolarHBondContact O-N 3.47Å; T857-V861 WeakPolarHBondContact O-CG2 3.45Å; T857-V861 PolarHBondContact O-N 2.9Å; T857-L903 HydrophobicContact CG2-CD1 3.62Å; T857-L903 HydrophobicContact CG2-CD2 4.42Å
858V85.9Confident81.8Confident11 Ų1119 Ų197%0.0679%0.094CC..Hα-helixtrans-59.8-44.6176.2170.50000110.8V854 V856 V861 S862 L903 H906V854-V858 HydrophobicContact CG1-CG2 3.88Å; V854-V858 WeakPolarHBondContact O-CB 3.41Å; V854-V858 VanDerWaalsContact O-CG2 3.23Å; V854-V858 WeakPolarHBondContact O-CG2 3.45Å; V854-V858 PolarHBondContact O-N 3.06Å; V856-V858 PolarHBondContact O-N 2.93Å; V858-V861 PolarHBondContact O-N 3.35Å; V858-S862 WeakPolarHBondContact O-CB 3.5Å; V858-S862 PolarHBondContact O-N 3.43Å; V858-L903 HydrophobicContact CG2-CB 4.16Å; V858-L903 HydrophobicContact CG2-CD1 4.18Å; V858-H906 VanDerWaalsContact CG1-CE1 3.46Å; V858-H906 WeakPolarHBondContact CG1-CE1 3.28Å
859M87.3Confident82Confident49 Ų4921.8 Ų21.824%0.24111%0.114CC..Hα-helixtrans-68.5-36.6177.2-65.7-6497.600112.7V801 F804 R855 V856 T857 S862 L863V801-M859 HydrophobicContact CG1-CG 4.12Å; F804-M859 HydrophobicContact CB-CB 3.67Å; F804-M859 HydrophobicContact CG-CB 4.16Å; R855-M859 VanDerWaalsContact O-CG 3.29Å; R855-M859 WeakPolarHBondContact O-CG 3.45Å; R855-M859 PolarHBondContact O-N 3.23Å; V856-M859 PolarHBondContact O-N 3.39Å; T857-M859 VanDerWaalsContact C-N 3.34Å; T857-M859 PolarHBondContact O-N 2.83Å; M859-S862 PolarHBondContact O-N 2.74Å; M859-L863 WeakPolarHBondContact O-CB 3.19Å; M859-L863 PolarHBondContact O-N 3.34Å
860A89.4Confident82.5Confident1 Ų124.4 Ų24.41%0.00813%0.125CC..Hα-helixtrans-62.9-44.9174.300000111.6F804 I844 V856 T857 L863 L864F804-A860 HydrophobicContact CE1-CB 4.04Å; F804-A860 HydrophobicContact CZ-CB 4.17Å; I844-A860 HydrophobicContact CG2-CB 4.09Å; V856-A860 WeakPolarHBondContact O-CB 3.24Å; V856-A860 PolarHBondContact O-N 3.14Å; T857-A860 PolarHBondContact O-N 3.47Å; A860-L863 PolarHBondContact O-N 3.43Å; A860-L864 WeakPolarHBondContact O-CG 3.22Å; A860-L864 PolarHBondContact O-N 2.91Å
861V88.6Confident82.9Confident2 Ų225.6 Ų25.61%0.01213%0.13CC..Hα-helixtrans-66.8-38.7176.1176.50000111.7L848 T857 V858 L863 L864 T865 H906 F910L848-V861 HydrophobicContact CD2-CG2 3.54Å; L848-V861 HydrophobicContact CG-CG2 4.44Å; T857-V861 WeakPolarHBondContact O-CG2 3.45Å; T857-V861 PolarHBondContact O-N 2.9Å; V858-V861 PolarHBondContact O-N 3.35Å; V861-L863 VanDerWaalsContact C-N 3.35Å; V861-L863 PolarHBondContact O-N 3.03Å; V861-L864 PolarHBondContact O-N 3.4Å; V861-T865 PolarHBondContact O-N 2.75Å; V861-T865 PolarHBondContact O-OG1 2.89Å; V861-H906 HydrophobicContact CB-CB 4.39Å; V861-H906 HydrophobicContact CG1-CB 4Å; V861-H906 WeakPolarHBondContact CG1-O 3.45Å; V861-F910 HydrophobicContact CG1-CB 3.85Å
862S87.7Confident83.5Confident27 Ų2728.2 Ų28.219%0.18915%0.152CC..Hα-helixtrans-59-46.9173.9-174.40000111.1N808 V858 M859 T865 T866N808-S862 PolarHBondContact ND2-OG 3.01Å; V858-S862 WeakPolarHBondContact O-CB 3.5Å; V858-S862 PolarHBondContact O-N 3.43Å; M859-S862 PolarHBondContact O-N 2.74Å; S862-T865 WeakPolarHBondContact O-CB 3.28Å; S862-T865 PolarHBondContact O-N 3.18Å; S862-T866 PolarHBondContact O-N 2.94Å; S862-T866 PolarHBondContact O-OG1 3.12Å
863L88.2Confident84.3Confident0 Ų029.1 Ų29.10%017%0.169CC..Hα-helixtrans-62.1-44.4175.3178.565.4000112F804 L807 N808 V811 I844 M859 A860 V861 T865 T866 V867F804-L863 HydrophobicContact CD1-CD2 3.87Å; F804-L863 HydrophobicContact CE1-CD2 4.16Å; L807-L863 HydrophobicContact CD2-CD1 4.33Å; L807-L863 HydrophobicContact CD2-CD2 3.5Å; L807-L863 VanDerWaalsContact CD2-CD2 3.5Å; L807-L863 HydrophobicContact CG-CD1 4.01Å; L807-L863 HydrophobicContact CG-CD2 4.06Å; N808-L863 HydrophobicContact CB-CD1 4.08Å; V811-L863 HydrophobicContact CG2-CD1 4.38Å; I844-L863 HydrophobicContact CD1-CD2 3.7Å; I844-L863 HydrophobicContact CG1-CD2 4.45Å; I844-L863 HydrophobicContact CG2-CD2 4.29Å; M859-L863 WeakPolarHBondContact O-CB 3.19Å; M859-L863 PolarHBondContact O-N 3.34Å; A860-L863 PolarHBondContact O-N 3.43Å; V861-L863 VanDerWaalsContact C-N 3.35Å; V861-L863 PolarHBondContact O-N 3.03Å; L863-T865 VanDerWaalsContact C-N 3.25Å; L863-T865 PolarHBondContact O-N 2.92Å; L863-T866 PolarHBondContact O-N 3.43Å; L863-V867 HydrophobicContact CD1-CG2 4.3Å; L863-V867 HydrophobicContact CG-CG2 4.45Å; L863-V867 WeakPolarHBondContact O-CG2 3.16Å; L863-V867 PolarHBondContact O-N 3.4Å
864L89.6Confident84.8Confident2 Ų229.3 Ų29.31%0.0117%0.171CC..Hα-helixtrans-60-37175.8-72.6173.9000111.9L841 I844 A845 A860 V861 V867 A868 L875 F879 F886 F910L841-L864 HydrophobicContact CD2-CD2 4.24Å; I844-L864 HydrophobicContact CG2-CD1 4.47Å; I844-L864 HydrophobicContact CG2-CD2 4.13Å; I844-L864 HydrophobicContact CG2-CG 4.01Å; A845-L864 HydrophobicContact CB-CD1 4.35Å; A860-L864 WeakPolarHBondContact O-CG 3.22Å; A860-L864 PolarHBondContact O-N 2.91Å; V861-L864 PolarHBondContact O-N 3.4Å; L864-V867 PolarHBondContact O-N 3.2Å; L864-A868 VanDerWaalsContact O-CB 3.23Å; L864-A868 WeakPolarHBondContact O-CB 3.37Å; L864-A868 PolarHBondContact O-N 3.44Å; L864-L875 HydrophobicContact CD2-CD2 4.39Å; L864-F879 HydrophobicContact CD2-CZ 4.22Å; L864-F886 HydrophobicContact CD1-CE2 4.31Å; L864-F910 HydrophobicContact CB-CD2 4.04Å; L864-F910 HydrophobicContact CB-CE2 3.87Å
865T89.6Confident85.1Confident24 Ų2428 Ų2815%0.14716%0.163CC..Hα-helixtrans-63.3-46.8175.1-53.30000111.4V861 S862 L863 A868 S869 F910 V913V861-T865 PolarHBondContact O-N 2.75Å; V861-T865 PolarHBondContact O-OG1 2.89Å; S862-T865 WeakPolarHBondContact O-CB 3.28Å; S862-T865 PolarHBondContact O-N 3.18Å; L863-T865 VanDerWaalsContact C-N 3.25Å; L863-T865 PolarHBondContact O-N 2.92Å; T865-A868 PolarHBondContact O-N 3.29Å; T865-S869 PolarHBondContact O-N 3.16Å; T865-S869 VanDerWaalsContact O-N 3.11Å; T865-S869 PolarHBondContact O-OG 2.91Å; T865-F910 WeakPolarHBondContact OG1-CA 3.48Å; T865-F910 WeakPolarHBondContact OG1-CB 3.09Å; T865-V913 HydrophobicContact CG2-CB 4.11Å; T865-V913 HydrophobicContact CG2-CG2 3.71Å
866T86Confident85.2Confident23 Ų2325 Ų2514%0.14116%0.156CC..Hα-helixtrans-64-42.8177.4-53.40000111.5N808 V811 S862 L863 S869 K870N808-T866 WeakPolarHBondContact OD1-CB 3.43Å; N808-T866 PolarHBondContact OD1-OG1 3.31Å; V811-T866 HydrophobicContact CB-CG2 4.44Å; V811-T866 HydrophobicContact CG1-CG2 3.99Å; S862-T866 PolarHBondContact O-N 2.94Å; S862-T866 PolarHBondContact O-OG1 3.12Å; L863-T866 PolarHBondContact O-N 3.43Å; T866-S869 PolarHBondContact O-N 3.37Å; T866-S869 PolarHBondContact O-OG 3.17Å; T866-K870 WeakPolarHBondContact O-CG 3.46Å; T866-K870 PolarHBondContact O-N 3.08Å; T866-K870 VanDerWaalsContact O-N 3.1Å
867V86.1Confident85Confident3 Ų329.4 Ų29.42%0.01819%0.188CC..Hα-helixtrans-63.6-42.3176172.90000111V811 L841 L863 L864 S869 K870 F871 L875V811-V867 HydrophobicContact CG1-CG2 4.25Å; L841-V867 HydrophobicContact CD1-CG1 4.39Å; L841-V867 HydrophobicContact CD2-CG1 4.1Å; L841-V867 HydrophobicContact CD2-CG2 4.28Å; L863-V867 HydrophobicContact CD1-CG2 4.3Å; L863-V867 HydrophobicContact CG-CG2 4.45Å; L863-V867 WeakPolarHBondContact O-CG2 3.16Å; L863-V867 PolarHBondContact O-N 3.4Å; L864-V867 PolarHBondContact O-N 3.2Å; V867-S869 VanDerWaalsContact C-N 3.32Å; V867-S869 PolarHBondContact O-N 3.09Å; V867-K870 PolarHBondContact O-N 2.93Å; V867-F871 HydrophobicContact CG1-CD2 4.21Å; V867-F871 PolarHBondContact O-N 2.85Å; V867-L875 HydrophobicContact CG1-CD2 4.01Å
868A87.2Confident84.8Confident0 Ų030.1 Ų30.10%019%0.192CC..Hα-helixtrans-59.7-41.1179.100000112.4L864 T865 L875 F910 V913 C917 Q918L864-A868 VanDerWaalsContact O-CB 3.23Å; L864-A868 WeakPolarHBondContact O-CB 3.37Å; L864-A868 PolarHBondContact O-N 3.44Å; T865-A868 PolarHBondContact O-N 3.29Å; A868-L875 HydrophobicContact CB-CD1 3.94Å; A868-F910 HydrophobicContact CB-CE2 4.27Å; A868-V913 HydrophobicContact CB-CG1 3.92Å; A868-C917 VanDerWaalsContact O-CB 3.24Å; A868-C917 WeakPolarHBondContact O-CB 3.46Å; A868-Q918 HydrophobicContact CB-CG 3.89Å; A868-Q918 PolarHBondContact O-NE2 3.37Å; A868-Q918 VanDerWaalsContact O-NE2 3.16Å
869S85.4Confident84.6Confident59 Ų5929.7 Ų29.741%0.41319%0.189SC..Hα-helixtrans-72.8-37.4178.165.40000113.6T865 T866 V867T865-S869 PolarHBondContact O-N 3.16Å; T865-S869 VanDerWaalsContact O-N 3.11Å; T865-S869 PolarHBondContact O-OG 2.91Å; T866-S869 PolarHBondContact O-N 3.37Å; T866-S869 PolarHBondContact O-OG 3.17Å; V867-S869 VanDerWaalsContact C-N 3.32Å; V867-S869 PolarHBondContact O-N 3.09Å
870K81.9Confident84.2Confident67 Ų6729.3 Ų29.329%0.29120%0.197SC..Hα-helixtrans-81-30.3-177.7-69.6-73.6-171.1161.70113.6S812 F814 T866 V867S812-K870 VanDerWaalsContact O-CE 3.29Å; S812-K870 WeakPolarHBondContact O-CE 3.43Å; S812-K870 PolarHBondContact O-NZ 3.45Å; F814-K870 PolarHBondContact O-NZ 2.95Å; T866-K870 WeakPolarHBondContact O-CG 3.46Å; T866-K870 PolarHBondContact O-N 3.08Å; T866-K870 VanDerWaalsContact O-N 3.1Å; V867-K870 PolarHBondContact O-N 2.93Å
871F81.7Confident83.6Confident27 Ų2735.2 Ų35.212%0.11824%0.236CC..SBendtrans-127.377.5-175.2-60.1-76.6000111.8L816 L822 M826 F830 V867 G873 A874 Q918L816-F871 HydrophobicContact CD1-CE1 4.38Å; L816-F871 HydrophobicContact CD2-CE1 4.13Å; L822-F871 HydrophobicContact CD2-CE1 4.11Å; L822-F871 HydrophobicContact CD2-CZ 4.45Å; M826-F871 HydrophobicContact CE-CZ 4.41Å; M826-F871 HydrophobicContact SD-CE2 4.12Å; M826-F871 HydrophobicContact SD-CZ 4Å; F830-F871 HydrophobicContact CE2-CD1 4.38Å; F830-F871 HydrophobicContact CE2-CD2 4.37Å; F830-F871 HydrophobicContact CE2-CE1 4.31Å; F830-F871 HydrophobicContact CE2-CE2 4.29Å; F830-F871 HydrophobicContact CE2-CG 4.41Å; F830-F871 HydrophobicContact CE2-CZ 4.26Å; F830-F871 HydrophobicContact CZ-CB 4.15Å; F830-F871 HydrophobicContact CZ-CD1 4.11Å; F830-F871 AromaticContact CZ-CD2 3.8Å; F830-F871 HydrophobicContact CZ-CD2 3.8Å; F830-F871 HydrophobicContact CZ-CE1 4.45Å; F830-F871 HydrophobicContact CZ-CE2 4.16Å; F830-F871 AromaticContact CZ-CG 3.76Å; F830-F871 HydrophobicContact CZ-CG 3.76Å; F830-F871 HydrophobicContact CZ-CZ 4.47Å; V867-F871 HydrophobicContact CG1-CD2 4.21Å; V867-F871 PolarHBondContact O-N 2.85Å; F871-G873 PolarHBondContact O-N 3.4Å; F871-A874 HydrophobicContact CB-CB 4.08Å; F871-A874 PolarHBondContact O-N 3.43Å; F871-Q918 PolarHBondContact O-NE2 3.24Å
872P79.1Confident83.1Confident92 Ų9235.9 Ų35.960%0.59724%0.239SC*.THydrogen-bonded Turntrans-59136.9-17723.9-33.6000112.6A874 C917P872-A874 VanDerWaalsContact C-N 3.28Å; P872-A874 PolarHBondContact O-N 2.83Å; P872-C917 CarbonylContact C-O 3.21Å; P872-C917 WeakPolarHBondContact CA-O 3.37Å; P872-C917 HydrophobicContact CB-CB 4.21Å; P872-C917 WeakPolarHBondContact CB-O 3.43Å
873G78.9Confident82.7Confident49 Ų4935.1 Ų35.151%0.50523%0.233SC..THydrogen-bonded Turntrans73.8-5.1179.200000117.5F871 C917 Q918F871-G873 PolarHBondContact O-N 3.4Å; G873-C917 PolarHBondContact N-O 2.91Å; G873-Q918 VanDerWaalsContact C-OE1 3.27Å; G873-Q918 VanDerWaalsContact CA-OE1 3.22Å; G873-Q918 VanDerWaalsContact N-CD 3.31Å; G873-Q918 VanDerWaalsContact N-NE2 3.12Å; G873-Q918 VanDerWaalsContact N-OE1 3.14Å
874A81.5Confident82.1Confident21 Ų2135.5 Ų35.517%0.17424%0.237CC..Hα-helixtrans-74.9-32.7-173.100000114.4F830 F871 P872 L876 S877 T878F830-A874 HydrophobicContact CE1-CB 3.89Å; F871-A874 HydrophobicContact CB-CB 4.08Å; F871-A874 PolarHBondContact O-N 3.43Å; P872-A874 VanDerWaalsContact C-N 3.28Å; P872-A874 PolarHBondContact O-N 2.83Å; A874-L876 PolarHBondContact O-N 3.28Å; A874-S877 PolarHBondContact O-N 2.83Å; A874-S877 PolarHBondContact O-OG 3.38Å; A874-T878 WeakPolarHBondContact O-CG2 3.35Å; A874-T878 PolarHBondContact O-N 3.35Å
875L83.7Confident81.4Confident0 Ų035.4 Ų35.40%024%0.236CC..Hα-helixtrans-62.6-43.2-168.4-71.1-178.3000112.9L841 L864 V867 A868 S877 T878 F879 F910 Q918 L921L841-L875 HydrophobicContact CD1-CD2 4.35Å; L864-L875 HydrophobicContact CD2-CD2 4.39Å; V867-L875 HydrophobicContact CG1-CD2 4.01Å; A868-L875 HydrophobicContact CB-CD1 3.94Å; L875-S877 VanDerWaalsContact C-N 3.29Å; L875-S877 PolarHBondContact O-N 3.3Å; L875-T878 WeakPolarHBondContact CA-OG1 3.29Å; L875-T878 PolarHBondContact O-N 2.86Å; L875-T878 VanDerWaalsContact O-N 3.1Å; L875-T878 PolarHBondContact O-OG1 3.39Å; L875-F879 HydrophobicContact CB-CE2 4.33Å; L875-F879 HydrophobicContact CD2-CZ 4.27Å; L875-F879 WeakPolarHBondContact O-CG 3.48Å; L875-F879 PolarHBondContact O-N 3.03Å; L875-F910 HydrophobicContact CD1-CE2 4.01Å; L875-F910 HydrophobicContact CD1-CZ 4.14Å; L875-Q918 HydrophobicContact CD1-CG 4.13Å; L875-L921 HydrophobicContact CD1-CD2 4.42Å
876L82.4Confident81.1Confident66 Ų6634.3 Ų34.335%0.34623%0.23SC..Hα-helixtrans-58-43179.9-175.469.3000111.5A874 T878 G880 V883 Q924A874-L876 PolarHBondContact O-N 3.28Å; L876-T878 VanDerWaalsContact C-N 3.31Å; L876-T878 PolarHBondContact O-N 3.43Å; L876-G880 PolarHBondContact O-N 3Å; L876-V883 HydrophobicContact CD1-CG1 3.99Å; L876-V883 HydrophobicContact CD1-CG2 3.86Å; L876-Q924 HydrophobicContact CD1-CG 4.26Å
877S79.7Confident80.6Confident94 Ų9433.8 Ų33.866%0.65723%0.227SC*.Hα-helixtrans-66-33.617973.10000112.9A874 L875A874-S877 PolarHBondContact O-N 2.83Å; A874-S877 PolarHBondContact O-OG 3.38Å; L875-S877 VanDerWaalsContact C-N 3.29Å; L875-S877 PolarHBondContact O-N 3.3Å
878T80.3Confident80Confident15 Ų1535.9 Ų35.99%0.09224%0.238CC..Hα-helixtrans-80.1-35.9-177.559.50000113F830 P839 L841 T842 A874 L875 L876 G880F830-T878 HydrophobicContact CD1-CG2 3.66Å; F830-T878 HydrophobicContact CE1-CG2 4.3Å; P839-T878 WeakPolarHBondContact CG-O 3.38Å; L841-T878 HydrophobicContact CD1-CG2 3.98Å; T842-T878 PolarHBondContact OG1-O 3.5Å; T842-T878 VanDerWaalsContact OG1-O 3.13Å; A874-T878 WeakPolarHBondContact O-CG2 3.35Å; A874-T878 PolarHBondContact O-N 3.35Å; L875-T878 WeakPolarHBondContact CA-OG1 3.29Å; L875-T878 PolarHBondContact O-N 2.86Å; L875-T878 VanDerWaalsContact O-N 3.1Å; L875-T878 PolarHBondContact O-OG1 3.39Å; L876-T878 VanDerWaalsContact C-N 3.31Å; L876-T878 PolarHBondContact O-N 3.43Å; T878-G880 VanDerWaalsContact C-N 3.35Å
879F82Confident79.3Confident3 Ų336 Ų361%0.01324%0.238CC..Hα-helixtrans-71.1-32.9178.8-67.6-15.8000111.8L841 A845 L864 L875 P881 F882 V883 F886 L921L841-F879 HydrophobicContact CB-CE1 4.38Å; A845-F879 HydrophobicContact CB-CD1 4.45Å; A845-F879 HydrophobicContact CB-CE1 3.68Å; A845-F879 HydrophobicContact CB-CZ 3.81Å; L864-F879 HydrophobicContact CD2-CZ 4.22Å; L875-F879 HydrophobicContact CB-CE2 4.33Å; L875-F879 HydrophobicContact CD2-CZ 4.27Å; L875-F879 WeakPolarHBondContact O-CG 3.48Å; L875-F879 PolarHBondContact O-N 3.03Å; F879-P881 WeakPolarHBondContact O-CD 3.5Å; F879-F882 WeakPolarHBondContact O-CB 3.11Å; F879-F882 PolarHBondContact O-N 3.11Å; F879-V883 HydrophobicContact CB-CG2 3.44Å; F879-V883 VanDerWaalsContact CB-CG2 3.44Å; F879-V883 HydrophobicContact CD2-CG2 4.37Å; F879-V883 HydrophobicContact CG-CG2 4.45Å; F879-F886 HydrophobicContact CE2-CD1 4.26Å; F879-F886 HydrophobicContact CE2-CD2 4.29Å; F879-F886 HydrophobicContact CE2-CE1 4.29Å; F879-F886 HydrophobicContact CE2-CE2 4.28Å; F879-F886 HydrophobicContact CE2-CG 4.26Å; F879-F886 HydrophobicContact CE2-CZ 4.29Å; F879-F886 HydrophobicContact CZ-CE2 4.39Å; F879-L921 HydrophobicContact CD2-CD1 4.29Å; F879-L921 HydrophobicContact CE2-CD1 4.4Å; F879-L921 HydrophobicContact CE2-CD2 4.4Å
880G78.6Confident79Confident40 Ų4033.3 Ų33.341%0.41222%0.219SC..G310 helixtrans54.1-120.8177.400000111.6L876 T878 F882 V883L876-G880 PolarHBondContact O-N 3Å; T878-G880 VanDerWaalsContact C-N 3.35Å; G880-F882 PolarHBondContact O-N 3.39Å; G880-V883 VanDerWaalsContact O-CG2 3.24Å; G880-V883 WeakPolarHBondContact O-CG2 3.12Å
881P76.7Confident78.7Confident126 Ų12631.4 Ų31.482%0.81821%0.213SC*.G310 helixtrans-69.7-16.5-179.830-35000113.8F879 V883F879-P881 WeakPolarHBondContact O-CD 3.5Å; P881-V883 VanDerWaalsContact C-N 3.25Å; P881-V883 PolarHBondContact O-N 3.48Å
882F78.3Confident78.3Confident16 Ų1630.9 Ų30.97%0.0721%0.212CC..G310 helixtrans-77.1-7.6-177.6-179.7-107.4000113.8T842 A845 K846 Y849 F879 G880 G884 A885 F886T842-F882 HydrophobicContact CG2-CB 3.84Å; T842-F882 HydrophobicContact CG2-CD1 3.72Å; T842-F882 HydrophobicContact CG2-CE1 4.42Å; T842-F882 HydrophobicContact CG2-CG 3.77Å; A845-F882 HydrophobicContact CB-CD1 4.46Å; A845-F882 HydrophobicContact CB-CE1 3.73Å; K846-F882 HydrophobicContact CB-CZ 4.44Å; K846-F882 HydrophobicContact CD-CE2 4.42Å; K846-F882 HydrophobicContact CG-CD2 4.48Å; K846-F882 HydrophobicContact CG-CE1 4.16Å; K846-F882 HydrophobicContact CG-CE2 3.68Å; K846-F882 HydrophobicContact CG-CZ 3.47Å; K846-F882 VanDerWaalsContact CG-CZ 3.47Å; Y849-F882 AromaticContact CE2-CE2 3.97Å; Y849-F882 HydrophobicContact CE2-CE2 3.97Å; Y849-F882 AromaticContact CE2-CZ 3.87Å; Y849-F882 HydrophobicContact CE2-CZ 3.87Å; F879-F882 WeakPolarHBondContact O-CB 3.11Å; F879-F882 PolarHBondContact O-N 3.11Å; G880-F882 PolarHBondContact O-N 3.39Å; F882-G884 VanDerWaalsContact C-N 3.35Å; F882-G884 PolarHBondContact O-N 3.25Å; F882-A885 HydrophobicContact CD2-CB 3.9Å; F882-A885 HydrophobicContact CE2-CB 3.89Å; F882-A885 PolarHBondContact O-N 3.35Å; F882-F886 HydrophobicContact CD1-CB 4.13Å; F882-F886 HydrophobicContact CE1-CB 3.84Å; F882-F886 HydrophobicContact CE1-CD2 4.29Å; F882-F886 HydrophobicContact CZ-CB 4.43Å; F882-F886 PolarHBondContact O-N 3.22Å
883V80.6Confident78Confident11 Ų1128.3 Ų28.37%0.06719%0.19CC..Hα-helixtrans-58.5-42.9-174.8176.70000112.4L876 F879 G880 P881 F886 C887 L921 Q924L876-V883 HydrophobicContact CD1-CG1 3.99Å; L876-V883 HydrophobicContact CD1-CG2 3.86Å; F879-V883 HydrophobicContact CB-CG2 3.44Å; F879-V883 VanDerWaalsContact CB-CG2 3.44Å; F879-V883 HydrophobicContact CD2-CG2 4.37Å; F879-V883 HydrophobicContact CG-CG2 4.45Å; G880-V883 VanDerWaalsContact O-CG2 3.24Å; G880-V883 WeakPolarHBondContact O-CG2 3.12Å; P881-V883 VanDerWaalsContact C-N 3.25Å; P881-V883 PolarHBondContact O-N 3.48Å; V883-F886 WeakPolarHBondContact O-CB 3.47Å; V883-F886 PolarHBondContact O-N 3.34Å; V883-C887 PolarHBondContact O-N 2.99Å; V883-C887 PolarHBondContact O-SG 3.19Å; V883-L921 HydrophobicContact CG1-CD1 4.13Å; V883-Q924 HydrophobicContact CG1-CB 3.89Å; V883-Q924 HydrophobicContact CG1-CG 3.94Å
884G75.8Confident77.7Confident8 Ų826.4 Ų26.48%0.08217%0.168CC..Hα-helixtrans-62.8-47.3179.500000112.6F882 F886 C887 D888F882-G884 VanDerWaalsContact C-N 3.35Å; F882-G884 PolarHBondContact O-N 3.25Å; G884-F886 VanDerWaalsContact C-N 3.32Å; G884-F886 PolarHBondContact O-N 3.44Å; G884-C887 PolarHBondContact O-N 2.97Å; G884-D888 PolarHBondContact O-N 3.29Å; G884-D888 VanDerWaalsContact O-N 3.11Å
885A74.9Confident77.1Confident0 Ų027.7 Ų27.70%017%0.171CC..Hα-helixtrans-60.6-40.8176.600000112.3S106 Y849 F882 D888 I889S106-A885 WeakPolarHBondContact O-CB 3.39Å; Y849-A885 PolarHBondContact OH-O 3.09Å; F882-A885 HydrophobicContact CD2-CB 3.9Å; F882-A885 HydrophobicContact CE2-CB 3.89Å; F882-A885 PolarHBondContact O-N 3.35Å; A885-D888 PolarHBondContact O-N 3.11Å; A885-I889 WeakPolarHBondContact O-CG2 3.24Å; A885-I889 PolarHBondContact O-N 3.27Å; A885-I889 VanDerWaalsContact O-N 3.11Å
886F81.6Confident76.1Confident1 Ų128.8 Ų28.80%0.00418%0.18CC..Hα-helixtrans-59.7-45.8174.1175.7-94.7000112.4A845 L848 L864 F879 F882 V883 G884 D888 I889 F890 F910 L921A845-F886 HydrophobicContact CB-CD2 3.83Å; A845-F886 HydrophobicContact CB-CE2 4.03Å; L848-F886 HydrophobicContact CD1-CD2 3.66Å; L848-F886 HydrophobicContact CD1-CE2 3.26Å; L848-F886 HydrophobicContact CD1-CZ 4.11Å; L864-F886 HydrophobicContact CD1-CE2 4.31Å; F879-F886 HydrophobicContact CE2-CD1 4.26Å; F879-F886 HydrophobicContact CE2-CD2 4.29Å; F879-F886 HydrophobicContact CE2-CE1 4.29Å; F879-F886 HydrophobicContact CE2-CE2 4.28Å; F879-F886 HydrophobicContact CE2-CG 4.26Å; F879-F886 HydrophobicContact CE2-CZ 4.29Å; F879-F886 HydrophobicContact CZ-CE2 4.39Å; F882-F886 HydrophobicContact CD1-CB 4.13Å; F882-F886 HydrophobicContact CE1-CB 3.84Å; F882-F886 HydrophobicContact CE1-CD2 4.29Å; F882-F886 HydrophobicContact CZ-CB 4.43Å; F882-F886 PolarHBondContact O-N 3.22Å; V883-F886 WeakPolarHBondContact O-CB 3.47Å; V883-F886 PolarHBondContact O-N 3.34Å; G884-F886 VanDerWaalsContact C-N 3.32Å; G884-F886 PolarHBondContact O-N 3.44Å; F886-D888 VanDerWaalsContact C-N 3.34Å; F886-D888 PolarHBondContact O-N 2.97Å; F886-I889 VanDerWaalsContact O-CG2 3.3Å; F886-I889 WeakPolarHBondContact O-CG2 3.45Å; F886-F890 HydrophobicContact CZ-CD2 4.3Å; F886-F890 WeakPolarHBondContact O-CB 3.41Å; F886-F890 PolarHBondContact O-N 2.6Å; F886-F910 HydrophobicContact CE1-CE1 4.19Å; F886-F910 AromaticContact CZ-CE1 3.86Å; F886-F910 HydrophobicContact CZ-CE1 3.86Å; F886-F910 HydrophobicContact CZ-CZ 4.1Å; F886-L921 HydrophobicContact CD1-CD1 4.19Å; F886-L921 HydrophobicContact CE1-CD1 4.26Å; F886-L921 HydrophobicContact CE1-CD2 4.1Å
887C77.3Confident74.5Confident12 Ų1228.6 Ų28.68%0.08118%0.184CC..Hα-helixtrans-62.3-41.4179.2-690000112.2V883 G884 T891 L925V883-C887 PolarHBondContact O-N 2.99Å; V883-C887 PolarHBondContact O-SG 3.19Å; G884-C887 PolarHBondContact O-N 2.97Å; C887-T891 WeakPolarHBondContact O-CB 3.32Å; C887-T891 PolarHBondContact O-N 3.05Å; C887-T891 PolarHBondContact O-OG1 3.36Å; C887-L925 HydrophobicContact CB-CD2 3.81Å; C887-L925 VanDerWaalsContact SG-CD2 3.6Å
888D72.6Confident73.2Confident46 Ų4627.1 Ų27.125%0.24617%0.171CC..Hα-helixtrans-62.5-50.7178.2-83.5-36.9000112.1R109 G884 A885 F886 T891 L892R109-D888 VanDerWaalsContact CD-OD2 3.24Å; R109-D888 WeakPolarHBondContact CD-OD2 3.34Å; R109-D888 VanDerWaalsContact CG-OD2 3.26Å; R109-D888 WeakPolarHBondContact CG-OD2 3.36Å; R109-D888 IonicContact NE-OD2 3.53Å; R109-D888 IonicContact NH1-OD1 3.19Å; R109-D888 PolarHBondContact NH1-OD1 2.8Å; G884-D888 PolarHBondContact O-N 3.29Å; G884-D888 VanDerWaalsContact O-N 3.11Å; A885-D888 PolarHBondContact O-N 3.11Å; F886-D888 VanDerWaalsContact C-N 3.34Å; F886-D888 PolarHBondContact O-N 2.97Å; D888-T891 PolarHBondContact O-N 3.29Å; D888-L892 WeakPolarHBondContact O-CB 3.46Å; D888-L892 PolarHBondContact O-N 2.85Å
889I73.5Confident72.1Confident3 Ų330.5 Ų30.52%0.01519%0.185CC..Hα-helixtrans-68.8-38.9-178.8-17060.5000111.5L848 Y849 A885 F886 T891 L892 R893L848-I889 HydrophobicContact CB-CG1 4.26Å; L848-I889 HydrophobicContact CB-CG2 4.1Å; L848-I889 HydrophobicContact CD1-CG2 4.35Å; Y849-I889 HydrophobicContact CD1-CB 4.44Å; Y849-I889 HydrophobicContact CD1-CD1 3.82Å; Y849-I889 HydrophobicContact CD1-CG1 3.87Å; Y849-I889 HydrophobicContact CD2-CG1 4.49Å; Y849-I889 HydrophobicContact CE1-CB 3.9Å; Y849-I889 HydrophobicContact CE1-CD1 3.9Å; Y849-I889 HydrophobicContact CE1-CG1 3.84Å; Y849-I889 HydrophobicContact CE1-CG2 4.47Å; Y849-I889 HydrophobicContact CE2-CB 4.33Å; Y849-I889 HydrophobicContact CE2-CG1 4.46Å; Y849-I889 HydrophobicContact CE2-CG2 4.01Å; Y849-I889 HydrophobicContact CG-CG1 4.21Å; A885-I889 WeakPolarHBondContact O-CG2 3.24Å; A885-I889 PolarHBondContact O-N 3.27Å; A885-I889 VanDerWaalsContact O-N 3.11Å; F886-I889 VanDerWaalsContact O-CG2 3.3Å; F886-I889 WeakPolarHBondContact O-CG2 3.45Å; I889-T891 VanDerWaalsContact C-N 3.34Å; I889-T891 PolarHBondContact O-N 3.03Å; I889-L892 HydrophobicContact CD1-CD2 4.27Å; I889-L892 PolarHBondContact O-N 3.31Å; I889-R893 HydrophobicContact CD1-CG 4.4Å; I889-R893 HydrophobicContact CG1-CG 4.35Å; I889-R893 WeakPolarHBondContact O-CB 3.41Å; I889-R893 VanDerWaalsContact O-CG 3.31Å; I889-R893 WeakPolarHBondContact O-CG 3.39Å; I889-R893 PolarHBondContact O-N 3.31Å
890F78.9Confident71.2Confident2 Ų234 Ų341%0.00920%0.201CC..Hα-helixtrans-60.6-45.6176.9-176.1-90.7000110.9L848 F886 L892 R893 V894 C907 F910 L911 L925L848-F890 HydrophobicContact CD1-CD2 4.49Å; F886-F890 HydrophobicContact CZ-CD2 4.3Å; F886-F890 WeakPolarHBondContact O-CB 3.41Å; F886-F890 PolarHBondContact O-N 2.6Å; F890-L892 PolarHBondContact O-N 3.04Å; F890-R893 PolarHBondContact O-N 3.13Å; F890-V894 HydrophobicContact CD1-CG2 4.37Å; F890-V894 HydrophobicContact CE1-CG2 4.06Å; F890-V894 HydrophobicContact CZ-CG2 4.32Å; F890-V894 WeakPolarHBondContact O-CG2 3.45Å; F890-V894 PolarHBondContact O-N 3.17Å; F890-V894 VanDerWaalsContact O-N 3.09Å; F890-C907 HydrophobicContact CE2-CB 3.74Å; F890-C907 HydrophobicContact CZ-CB 3.9Å; F890-C907 WeakPolarHBondContact CZ-O 3.45Å; F890-F910 AromaticContact CE2-CD1 3.66Å; F890-F910 HydrophobicContact CE2-CD1 3.66Å; F890-F910 HydrophobicContact CE2-CE1 4.27Å; F890-F910 AromaticContact CZ-CD1 3.97Å; F890-F910 HydrophobicContact CZ-CD1 3.97Å; F890-L911 HydrophobicContact CZ-CB 4.36Å; F890-L925 HydrophobicContact CD1-CD2 3.93Å; F890-L925 HydrophobicContact CG-CD2 4.47Å
891T75.7Confident70.8Confident28 Ų2835.5 Ų35.517%0.17220%0.204CC..Hα-helixtrans-60.5-46.4175.8-59.40000111.5C887 D888 I889 R893 V894 Q895 I949C887-T891 WeakPolarHBondContact O-CB 3.32Å; C887-T891 PolarHBondContact O-N 3.05Å; C887-T891 PolarHBondContact O-OG1 3.36Å; D888-T891 PolarHBondContact O-N 3.29Å; I889-T891 VanDerWaalsContact C-N 3.34Å; I889-T891 PolarHBondContact O-N 3.03Å; T891-R893 PolarHBondContact O-N 3Å; T891-V894 PolarHBondContact O-N 2.77Å; T891-Q895 HydrophobicContact CG2-CG 4.37Å; T891-Q895 WeakPolarHBondContact O-CB 3.38Å; T891-Q895 VanDerWaalsContact O-CG 3.25Å; T891-Q895 WeakPolarHBondContact O-CG 3.45Å; T891-Q895 PolarHBondContact O-N 3.43Å; T891-I949 HydrophobicContact CG2-CD1 4.39Å; T891-I949 HydrophobicContact CG2-CG1 3.61Å; T891-I949 VanDerWaalsContact OG1-CD1 3.26Å; T891-I949 WeakPolarHBondContact OG1-CD1 3.23Å; T891-I949 WeakPolarHBondContact OG1-CG1 3.42Å
892L73.4Confident70.7Confident16 Ų1632 Ų328%0.08418%0.183CC..Hα-helixtrans-61.7-42.8178.7-176.8141.1000111.8L102 Y103 D888 I889 F890 V894 Q895 A896L102-L892 HydrophobicContact CB-CD1 4.24Å; L102-L892 HydrophobicContact CD2-CD1 4.04Å; L102-L892 VanDerWaalsContact O-CD1 3.31Å; L102-L892 WeakPolarHBondContact O-CD1 3.33Å; Y103-L892 HydrophobicContact CD1-CD1 4.36Å; Y103-L892 HydrophobicContact CD1-CD2 3.99Å; Y103-L892 HydrophobicContact CE1-CD1 4.42Å; Y103-L892 HydrophobicContact CE1-CD2 4.04Å; D888-L892 WeakPolarHBondContact O-CB 3.46Å; D888-L892 PolarHBondContact O-N 2.85Å; I889-L892 HydrophobicContact CD1-CD2 4.27Å; I889-L892 PolarHBondContact O-N 3.31Å; F890-L892 PolarHBondContact O-N 3.04Å; L892-V894 PolarHBondContact O-N 3Å; L892-Q895 PolarHBondContact O-N 3.43Å; L892-A896 WeakPolarHBondContact O-CB 3.36Å; L892-A896 PolarHBondContact O-N 3.38Å
893R72.7Confident70.7Confident37 Ų3731.9 Ų31.914%0.1418%0.182CC..Hα-helixtrans-66.8-34.3179.2-70.9-64.1-170.5179.3-0.1113.3L848 Y849 S850 R851 I889 F890 T891L848-R893 PolarHBondContact O-NE 3.38Å; L848-R893 PolarHBondContact O-NH2 3.37Å; Y849-R893 PolarHBondContact O-NH2 3.35Å; Y849-R893 VanDerWaalsContact O-NH2 3.08Å; S850-R893 PolarHBondContact O-NH2 2.93Å; R851-R893 VanDerWaalsContact CG-NH2 3.32Å; I889-R893 HydrophobicContact CD1-CG 4.4Å; I889-R893 HydrophobicContact CG1-CG 4.35Å; I889-R893 WeakPolarHBondContact O-CB 3.41Å; I889-R893 VanDerWaalsContact O-CG 3.31Å; I889-R893 WeakPolarHBondContact O-CG 3.39Å; I889-R893 PolarHBondContact O-N 3.31Å; F890-R893 PolarHBondContact O-N 3.13Å; T891-R893 PolarHBondContact O-N 3Å
894V72.6Confident70.6Confident9 Ų931.9 Ų31.96%0.05518%0.182CC..Hα-helixtrans-73.1-31.1174.6174.40000111.5F890 T891 L892 C907 L953F890-V894 HydrophobicContact CD1-CG2 4.37Å; F890-V894 HydrophobicContact CE1-CG2 4.06Å; F890-V894 HydrophobicContact CZ-CG2 4.32Å; F890-V894 WeakPolarHBondContact O-CG2 3.45Å; F890-V894 PolarHBondContact O-N 3.17Å; F890-V894 VanDerWaalsContact O-N 3.09Å; T891-V894 PolarHBondContact O-N 2.77Å; L892-V894 PolarHBondContact O-N 3Å; V894-C907 HydrophobicContact CG2-CB 3.84Å; V894-L953 HydrophobicContact CG1-CD2 4.4Å
895Q68.4Low70.8Confident48 Ų4832.5 Ų32.522%0.22419%0.185CC..Hα-helixtrans-91.5-17.8-177.5-69.5-178.4-900114.9T891 L892 G948 S952T891-Q895 HydrophobicContact CG2-CG 4.37Å; T891-Q895 WeakPolarHBondContact O-CB 3.38Å; T891-Q895 VanDerWaalsContact O-CG 3.25Å; T891-Q895 WeakPolarHBondContact O-CG 3.45Å; T891-Q895 PolarHBondContact O-N 3.43Å; L892-Q895 PolarHBondContact O-N 3.43Å; Q895-G948 PolarHBondContact NE2-O 3.25Å; Q895-S952 PolarHBondContact NE2-OG 3.48Å; Q895-S952 VanDerWaalsContact NE2-OG 3.15Å
896A63.1Low71.2Confident24 Ų2435 Ų3520%0.19820%0.196CC..  trans-56.2137.8-174.300000112L892 T898 K899L892-A896 WeakPolarHBondContact O-CB 3.36Å; L892-A896 PolarHBondContact O-N 3.38Å; A896-T898 VanDerWaalsContact C-N 3.26Å; A896-T898 PolarHBondContact O-N 3.37Å; A896-K899 WeakPolarHBondContact O-CG 3.34Å
897S48.2Very low71.4Confident62 Ų6235 Ų3543%0.43420%0.196SC..SBendtrans-69.4-24.2179.749.80000113.1K899S897-K899 VanDerWaalsContact C-N 3.25Å; S897-K899 PolarHBondContact O-N 3.23Å
898T51.9Low71.7Confident62 Ų6234.4 Ų34.438%0.3819%0.192SC..SBendtrans-82.571.617852.60000109.1H18 A896 E900H18-T898 WeakPolarHBondContact NE2-CG2 3.34Å; A896-T898 VanDerWaalsContact C-N 3.26Å; A896-T898 PolarHBondContact O-N 3.37Å; T898-E900 PolarHBondContact O-N 2.97Å; T898-E900 VanDerWaalsContact O-N 3.09Å
899K57.4Low72.3Confident86 Ų8635.1 Ų35.137%0.37420%0.196SC..  trans-78.192.2-168.5-67.1176-175.8174.20110.7A896 S897 P901 E959A896-K899 WeakPolarHBondContact O-CG 3.34Å; S897-K899 VanDerWaalsContact C-N 3.25Å; S897-K899 PolarHBondContact O-N 3.23Å; K899-P901 VanDerWaalsContact O-CD 3.25Å; K899-P901 WeakPolarHBondContact O-CD 3.41Å; K899-E959 IonicContact NZ-OE2 3.48Å; K899-E959 PolarHBondContact NZ-OE2 2.86Å
900E63.9Low73Confident77 Ų7735 Ų3536%0.3620%0.196SC..  trans-72.5112.4155.8-168177.1145.700108.2V854 T898 S902 L903 T904V854-E900 WeakPolarHBondContact CB-OE2 3.17Å; V854-E900 HydrophobicContact CG1-CB 4.34Å; V854-E900 HydrophobicContact CG1-CG 4.31Å; V854-E900 WeakPolarHBondContact CG1-OE2 3.41Å; V854-E900 WeakPolarHBondContact CG2-OE2 3.36Å; T898-E900 PolarHBondContact O-N 2.97Å; T898-E900 VanDerWaalsContact O-N 3.09Å; E900-S902 PolarHBondContact O-N 3.1Å; E900-S902 VanDerWaalsContact O-N 3.17Å; E900-L903 PolarHBondContact O-N 3.05Å; E900-T904 PolarHBondContact O-N 3.21Å
901P68.7Low73.4Confident71 Ų7135.4 Ų35.446%0.46120%0.198SC..Hα-helixtrans-60.1-34.2-172.224.4-34.4000111.8K899 T904 V905 I966K899-P901 VanDerWaalsContact O-CD 3.25Å; K899-P901 WeakPolarHBondContact O-CD 3.41Å; P901-T904 PolarHBondContact O-N 3.28Å; P901-V905 VanDerWaalsContact O-CG2 3.26Å; P901-V905 WeakPolarHBondContact O-CG2 3.27Å; P901-V905 PolarHBondContact O-N 3.43Å; P901-I966 HydrophobicContact CB-CD1 3.93Å; P901-I966 HydrophobicContact CB-CG1 4.32Å
902S74.7Confident73.8Confident54 Ų5434.6 Ų34.638%0.37819%0.193SC..Hα-helixtrans-58.3-48.9179.1-52.60000112.5E900 V905 H906E900-S902 PolarHBondContact O-N 3.1Å; E900-S902 VanDerWaalsContact O-N 3.17Å; S902-V905 PolarHBondContact O-N 3.29Å; S902-H906 PolarHBondContact O-N 2.99Å; S902-H906 VanDerWaalsContact O-N 3.14Å; S902-H906 PolarHBondContact O-ND1 2.91Å
903L78.7Confident74.4Confident13 Ų1335 Ų357%0.06820%0.196CC..Hα-helixtrans-65.3-45.1-178.4179.361.5000111.1V854 T857 V858 E900 V905 H906 C907V854-L903 HydrophobicContact CG1-CB 3.78Å; V854-L903 HydrophobicContact CG1-CD2 4.18Å; V854-L903 HydrophobicContact CG1-CG 4.4Å; T857-L903 HydrophobicContact CG2-CD1 3.62Å; T857-L903 HydrophobicContact CG2-CD2 4.42Å; V858-L903 HydrophobicContact CG2-CB 4.16Å; V858-L903 HydrophobicContact CG2-CD1 4.18Å; E900-L903 PolarHBondContact O-N 3.05Å; L903-V905 VanDerWaalsContact C-N 3.35Å; L903-V905 PolarHBondContact O-N 2.66Å; L903-H906 PolarHBondContact O-N 3.15Å; L903-C907 PolarHBondContact O-N 3Å; L903-C907 PolarHBondContact O-SG 3.4Å; L903-C907 VanDerWaalsContact O-SG 3.39Å
904T78.2Confident75Confident10 Ų1033.3 Ų33.36%0.06119%0.19CC..Hα-helixtrans-60.7-44.1179.5-55.30000111.5E900 P901 H906 C907 L908 I966E900-T904 PolarHBondContact O-N 3.21Å; P901-T904 PolarHBondContact O-N 3.28Å; T904-H906 VanDerWaalsContact C-N 3.34Å; T904-H906 PolarHBondContact O-N 3.43Å; T904-C907 PolarHBondContact O-N 3.19Å; T904-L908 HydrophobicContact CG2-CD1 3.98Å; T904-L908 HydrophobicContact CG2-CG 4.43Å; T904-L908 WeakPolarHBondContact O-CB 3.23Å; T904-L908 WeakPolarHBondContact O-CG 3.49Å; T904-L908 PolarHBondContact O-N 3.34Å; T904-I966 HydrophobicContact CG2-CG2 4.35Å
905V80.4Confident75.5Confident22 Ų2233.1 Ų33.113%0.13319%0.188CC..Hα-helixtrans-59.4-44175.6170.50000111.4P901 S902 L903 L908 N909 D965 I966 A969P901-V905 VanDerWaalsContact O-CG2 3.26Å; P901-V905 WeakPolarHBondContact O-CG2 3.27Å; P901-V905 PolarHBondContact O-N 3.43Å; S902-V905 PolarHBondContact O-N 3.29Å; L903-V905 VanDerWaalsContact C-N 3.35Å; L903-V905 PolarHBondContact O-N 2.66Å; V905-L908 PolarHBondContact O-N 3.35Å; V905-N909 WeakPolarHBondContact O-CB 3.16Å; V905-N909 VanDerWaalsContact O-CG 3.25Å; V905-N909 PolarHBondContact O-N 3.03Å; V905-N909 PolarHBondContact O-ND2 3.27Å; V905-D965 HydrophobicContact CG2-CB 3.91Å; V905-I966 HydrophobicContact CG2-CG1 3.89Å; V905-A969 HydrophobicContact CG1-CB 4.34Å
906H83.3Confident76.1Confident52 Ų5234.3 Ų34.324%0.24119%0.194CC..Hα-helixtrans-68.3-40179.3-74.377.5000112.5V858 V861 S902 L903 T904 L908 N909 F910V858-H906 VanDerWaalsContact CG1-CE1 3.46Å; V858-H906 WeakPolarHBondContact CG1-CE1 3.28Å; V861-H906 HydrophobicContact CB-CB 4.39Å; V861-H906 HydrophobicContact CG1-CB 4Å; V861-H906 WeakPolarHBondContact CG1-O 3.45Å; S902-H906 PolarHBondContact O-N 2.99Å; S902-H906 VanDerWaalsContact O-N 3.14Å; S902-H906 PolarHBondContact O-ND1 2.91Å; L903-H906 PolarHBondContact O-N 3.15Å; T904-H906 VanDerWaalsContact C-N 3.34Å; T904-H906 PolarHBondContact O-N 3.43Å; H906-L908 VanDerWaalsContact C-N 3.34Å; H906-L908 PolarHBondContact O-N 3.46Å; H906-N909 PolarHBondContact O-N 3.43Å; H906-F910 WeakPolarHBondContact O-CB 3.39Å; H906-F910 PolarHBondContact O-N 2.95Å
907C85.1Confident77.1Confident0 Ų034.9 Ų34.90%020%0.196CC..Hα-helixtrans-62.1-41.1173.3-70.40000111.6F890 V894 L903 T904 F910 L911F890-C907 HydrophobicContact CE2-CB 3.74Å; F890-C907 HydrophobicContact CZ-CB 3.9Å; F890-C907 WeakPolarHBondContact CZ-O 3.45Å; V894-C907 HydrophobicContact CG2-CB 3.84Å; L903-C907 PolarHBondContact O-N 3Å; L903-C907 PolarHBondContact O-SG 3.4Å; L903-C907 VanDerWaalsContact O-SG 3.39Å; T904-C907 PolarHBondContact O-N 3.19Å; C907-F910 WeakPolarHBondContact O-CB 3.3Å; C907-F910 PolarHBondContact O-N 3.28Å; C907-L911 PolarHBondContact O-N 2.9Å
908L84.5Confident78.8Confident1 Ų132 Ų321%0.00518%0.176CC..Hα-helixtrans-67.7-39.1176.9-69.9170.2000112.3T904 V905 H906 L911 S912 L953 I966 A969 V970 V973T904-L908 HydrophobicContact CG2-CD1 3.98Å; T904-L908 HydrophobicContact CG2-CG 4.43Å; T904-L908 WeakPolarHBondContact O-CB 3.23Å; T904-L908 WeakPolarHBondContact O-CG 3.49Å; T904-L908 PolarHBondContact O-N 3.34Å; V905-L908 PolarHBondContact O-N 3.35Å; H906-L908 VanDerWaalsContact C-N 3.34Å; H906-L908 PolarHBondContact O-N 3.46Å; L908-L911 PolarHBondContact O-N 2.76Å; L908-S912 PolarHBondContact O-N 2.92Å; L908-L953 HydrophobicContact CD2-CD2 3.57Å; L908-I966 HydrophobicContact CD1-CG2 4.3Å; L908-A969 HydrophobicContact CB-CB 3.71Å; L908-A969 HydrophobicContact CD1-CB 3.82Å; L908-A969 HydrophobicContact CG-CB 4.44Å; L908-V970 HydrophobicContact CD1-CG2 3.52Å; L908-V970 HydrophobicContact CD2-CG2 4.22Å; L908-V973 HydrophobicContact CB-CG2 4.26Å; L908-V973 HydrophobicContact CD2-CG2 4.2Å; L908-V973 VanDerWaalsContact O-CG2 3.24Å; L908-V973 WeakPolarHBondContact O-CG2 3.5Å
909N85.1Confident80.1Confident60 Ų6034.6 Ų34.632%0.32118%0.182SC..Hα-helixtrans-63.6-41.8173.3-72.6-21.6000111.6V905 H906 L911 S912 V913V905-N909 WeakPolarHBondContact O-CB 3.16Å; V905-N909 VanDerWaalsContact O-CG 3.25Å; V905-N909 PolarHBondContact O-N 3.03Å; V905-N909 PolarHBondContact O-ND2 3.27Å; H906-N909 PolarHBondContact O-N 3.43Å; N909-L911 VanDerWaalsContact C-N 3.35Å; N909-L911 PolarHBondContact O-N 3.01Å; N909-S912 WeakPolarHBondContact O-CB 3.27Å; N909-S912 PolarHBondContact O-N 3.4Å; N909-V913 PolarHBondContact O-N 3.03Å; N909-V913 VanDerWaalsContact O-N 3.11Å
910F88.2Confident81.1Confident2 Ų231.6 Ų31.61%0.00918%0.176CC..Hα-helixtrans-58.2-46.8171.9173.4-102.6000111.4V861 L864 T865 A868 L875 F886 F890 H906 C907 S912 V913 A914 L921V861-F910 HydrophobicContact CG1-CB 3.85Å; L864-F910 HydrophobicContact CB-CD2 4.04Å; L864-F910 HydrophobicContact CB-CE2 3.87Å; T865-F910 WeakPolarHBondContact OG1-CA 3.48Å; T865-F910 WeakPolarHBondContact OG1-CB 3.09Å; A868-F910 HydrophobicContact CB-CE2 4.27Å; L875-F910 HydrophobicContact CD1-CE2 4.01Å; L875-F910 HydrophobicContact CD1-CZ 4.14Å; F886-F910 HydrophobicContact CE1-CE1 4.19Å; F886-F910 AromaticContact CZ-CE1 3.86Å; F886-F910 HydrophobicContact CZ-CE1 3.86Å; F886-F910 HydrophobicContact CZ-CZ 4.1Å; F890-F910 AromaticContact CE2-CD1 3.66Å; F890-F910 HydrophobicContact CE2-CD1 3.66Å; F890-F910 HydrophobicContact CE2-CE1 4.27Å; F890-F910 AromaticContact CZ-CD1 3.97Å; F890-F910 HydrophobicContact CZ-CD1 3.97Å; H906-F910 WeakPolarHBondContact O-CB 3.39Å; H906-F910 PolarHBondContact O-N 2.95Å; C907-F910 WeakPolarHBondContact O-CB 3.3Å; C907-F910 PolarHBondContact O-N 3.28Å; F910-S912 VanDerWaalsContact C-N 3.33Å; F910-S912 PolarHBondContact O-N 3.41Å; F910-V913 PolarHBondContact O-N 3.22Å; F910-A914 HydrophobicContact CE1-CB 4.46Å; F910-A914 VanDerWaalsContact O-CB 3.28Å; F910-A914 WeakPolarHBondContact O-CB 3.23Å; F910-A914 PolarHBondContact O-N 3.23Å; F910-L921 HydrophobicContact CE1-CD2 4.15Å; F910-L921 HydrophobicContact CZ-CD2 3.76Å
911L87Confident82Confident10 Ų1028 Ų285%0.05216%0.159CC..Hα-helixtrans-61.9-40.9178.5-17661.3000111.8F890 C907 L908 N909 V913 A914 I915 L925 V973F890-L911 HydrophobicContact CZ-CB 4.36Å; C907-L911 PolarHBondContact O-N 2.9Å; L908-L911 PolarHBondContact O-N 2.76Å; N909-L911 VanDerWaalsContact C-N 3.35Å; N909-L911 PolarHBondContact O-N 3.01Å; L911-V913 PolarHBondContact O-N 3.26Å; L911-A914 PolarHBondContact O-N 2.72Å; L911-I915 HydrophobicContact CG-CD1 4.26Å; L911-I915 WeakPolarHBondContact O-CD1 3.21Å; L911-I915 VanDerWaalsContact O-CG1 3.27Å; L911-I915 WeakPolarHBondContact O-CG1 3.34Å; L911-I915 PolarHBondContact O-N 3.41Å; L911-L925 HydrophobicContact CD1-CD1 4.13Å; L911-V973 HydrophobicContact CB-CG2 4.3Å; L911-V973 HydrophobicContact CD2-CG1 3.78Å; L911-V973 HydrophobicContact CD2-CG2 4.33Å; L911-V973 HydrophobicContact CG-CG1 4.06Å; L911-V973 HydrophobicContact CG-CG2 4.41Å
912S84.2Confident82.4Confident11 Ų1124.9 Ų24.98%0.07714%0.139CC..Hα-helixtrans-57.7-48.5176-172.30000111.3L908 N909 F910 I915 E916 K976L908-S912 PolarHBondContact O-N 2.92Å; N909-S912 WeakPolarHBondContact O-CB 3.27Å; N909-S912 PolarHBondContact O-N 3.4Å; F910-S912 VanDerWaalsContact C-N 3.33Å; F910-S912 PolarHBondContact O-N 3.41Å; S912-I915 PolarHBondContact O-N 2.95Å; S912-E916 WeakPolarHBondContact O-CG 3.36Å; S912-K976 WeakPolarHBondContact OG-CG 3.28Å
913V85.3Confident82.5Confident25 Ų2527.1 Ų27.115%0.15214%0.143CC..Hα-helixtrans-69.6-36.4177.3174.40000112.3T865 A868 N909 F910 L911 I915 E916 C917T865-V913 HydrophobicContact CG2-CB 4.11Å; T865-V913 HydrophobicContact CG2-CG2 3.71Å; A868-V913 HydrophobicContact CB-CG1 3.92Å; N909-V913 PolarHBondContact O-N 3.03Å; N909-V913 VanDerWaalsContact O-N 3.11Å; F910-V913 PolarHBondContact O-N 3.22Å; L911-V913 PolarHBondContact O-N 3.26Å; V913-I915 VanDerWaalsContact C-N 3.28Å; V913-I915 PolarHBondContact O-N 3.1Å; V913-E916 PolarHBondContact O-N 3.1Å; V913-E916 VanDerWaalsContact O-N 3.09Å; V913-C917 PolarHBondContact O-N 3.12Å
914A85.4Confident82.3Confident0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-63.6-34.5178.500000112F910 L911 E916 Q918 V922F910-A914 HydrophobicContact CE1-CB 4.46Å; F910-A914 VanDerWaalsContact O-CB 3.28Å; F910-A914 WeakPolarHBondContact O-CB 3.23Å; F910-A914 PolarHBondContact O-N 3.23Å; L911-A914 PolarHBondContact O-N 2.72Å; A914-E916 VanDerWaalsContact C-N 3.29Å; A914-E916 PolarHBondContact O-N 2.83Å; A914-Q918 HydrophobicContact CB-CB 4.3Å; A914-Q918 CarbonylContact O-C 3.59Å; A914-Q918 VanDerWaalsContact O-CA 3.3Å; A914-Q918 WeakPolarHBondContact O-CA 3.26Å; A914-Q918 PolarHBondContact O-N 3.32Å; A914-V922 HydrophobicContact CB-CG2 3.93Å; A914-V922 WeakPolarHBondContact O-CG2 3.38Å
915I83.4Confident82.1Confident5 Ų530.3 Ų30.33%0.02616%0.158CC..Hα-helixtrans-63.1-35.8173.3-67.7160.5000111.3L911 S912 V913 V922 V973 K976 V977 F980L911-I915 HydrophobicContact CG-CD1 4.26Å; L911-I915 WeakPolarHBondContact O-CD1 3.21Å; L911-I915 VanDerWaalsContact O-CG1 3.27Å; L911-I915 WeakPolarHBondContact O-CG1 3.34Å; L911-I915 PolarHBondContact O-N 3.41Å; S912-I915 PolarHBondContact O-N 2.95Å; V913-I915 VanDerWaalsContact C-N 3.28Å; V913-I915 PolarHBondContact O-N 3.1Å; I915-V922 HydrophobicContact CG1-CG1 4.24Å; I915-V922 HydrophobicContact CG1-CG2 4.11Å; I915-V973 HydrophobicContact CD1-CG1 3.87Å; I915-K976 HydrophobicContact CB-CB 4.37Å; I915-K976 HydrophobicContact CG2-CB 4.02Å; I915-V977 HydrophobicContact CD1-CG2 3.76Å; I915-F980 HydrophobicContact CG2-CB 4.44Å; I915-F980 HydrophobicContact CG2-CD2 4.36Å
916E81.8Confident81.4Confident73 Ų7331.8 Ų31.834%0.34116%0.164SC..Hα-helixtrans-77.3-41.6179.9-49.3-167.4132.200113S912 V913 A914 K976 F980S912-E916 WeakPolarHBondContact O-CG 3.36Å; V913-E916 PolarHBondContact O-N 3.1Å; V913-E916 VanDerWaalsContact O-N 3.09Å; A914-E916 VanDerWaalsContact C-N 3.29Å; A914-E916 PolarHBondContact O-N 2.83Å; E916-K976 HydrophobicContact CG-CD 4.17Å; E916-K976 HydrophobicContact CG-CG 4.44Å; E916-K976 WeakPolarHBondContact OE1-CD 3.27Å; E916-K976 WeakPolarHBondContact OE1-CE 3.5Å; E916-K976 IonicContact OE1-NZ 2.69Å; E916-K976 PolarHBondContact OE1-NZ 3.4Å; E916-F980 HydrophobicContact CB-CE2 4.05Å; E916-F980 HydrophobicContact CB-CZ 3.81Å; E916-F980 HydrophobicContact CG-CD2 4.47Å; E916-F980 HydrophobicContact CG-CE2 3.59Å; E916-F980 HydrophobicContact CG-CZ 3.84Å
917C83.5Confident80.2Confident37 Ų3732.2 Ų32.225%0.2518%0.177CC..Hα-helixtrans-120.8-14.4-164.3-60.40000115.2A868 P872 G873 V913A868-C917 VanDerWaalsContact O-CB 3.24Å; A868-C917 WeakPolarHBondContact O-CB 3.46Å; P872-C917 CarbonylContact C-O 3.21Å; P872-C917 WeakPolarHBondContact CA-O 3.37Å; P872-C917 HydrophobicContact CB-CB 4.21Å; P872-C917 WeakPolarHBondContact CB-O 3.43Å; G873-C917 PolarHBondContact N-O 2.91Å; V913-C917 PolarHBondContact O-N 3.12Å
918Q83Confident78.6Confident2 Ų236.6 Ų36.61%0.00920%0.197CC..  trans-133.750.2-170.7-57.3-68.5-27.900111.9A868 F871 G873 L875 A914 G920 L921 V922A868-Q918 HydrophobicContact CB-CG 3.89Å; A868-Q918 PolarHBondContact O-NE2 3.37Å; A868-Q918 VanDerWaalsContact O-NE2 3.16Å; F871-Q918 PolarHBondContact O-NE2 3.24Å; G873-Q918 VanDerWaalsContact C-OE1 3.27Å; G873-Q918 VanDerWaalsContact CA-OE1 3.22Å; G873-Q918 VanDerWaalsContact N-CD 3.31Å; G873-Q918 VanDerWaalsContact N-NE2 3.12Å; G873-Q918 VanDerWaalsContact N-OE1 3.14Å; L875-Q918 HydrophobicContact CD1-CG 4.13Å; A914-Q918 HydrophobicContact CB-CB 4.3Å; A914-Q918 CarbonylContact O-C 3.59Å; A914-Q918 VanDerWaalsContact O-CA 3.3Å; A914-Q918 WeakPolarHBondContact O-CA 3.26Å; A914-Q918 PolarHBondContact O-N 3.32Å; Q918-G920 VanDerWaalsContact C-N 3.27Å; Q918-G920 PolarHBondContact O-N 3.03Å; Q918-G920 VanDerWaalsContact O-N 3.13Å; Q918-L921 HydrophobicContact CB-CB 4.37Å; Q918-L921 PolarHBondContact O-N 2.83Å; Q918-V922 PolarHBondContact O-N 3.41Å
919F79.3Confident76.6Confident115 Ų11541.3 Ų41.350%0.50423%0.228SC..Hα-helixtrans-51-41.9-174.3-171.4-102.9000113.9L921 V922 E923F919-L921 VanDerWaalsContact C-N 3.28Å; F919-L921 PolarHBondContact O-N 3.09Å; F919-V922 WeakPolarHBondContact O-CB 3.09Å; F919-V922 PolarHBondContact O-N 2.98Å; F919-E923 HydrophobicContact CD1-CG 4.06Å; F919-E923 VanDerWaalsContact CE1-CD 3.44Å; F919-E923 HydrophobicContact CE1-CG 3.74Å; F919-E923 WeakPolarHBondContact CE1-OE1 3.45Å; F919-E923 HydrophobicContact CZ-CG 4.16Å; F919-E923 PolarHBondContact O-N 2.8Å
920G79.4Confident74.2Confident24 Ų2446.8 Ų46.825%0.24725%0.252CS..Hα-helixtrans-63.7-26179.600000115Q918 Q924Q918-G920 VanDerWaalsContact C-N 3.27Å; Q918-G920 PolarHBondContact O-N 3.03Å; Q918-G920 VanDerWaalsContact O-N 3.13Å; G920-Q924 WeakPolarHBondContact O-CG 3.13Å
921L82.3Confident71.6Confident1 Ų151 Ų511%0.00529%0.286CS..Hα-helixtrans-77.3-37.3172.4-177.366.6000111.1L875 F879 V883 F886 F910 Q918 F919 E923 Q924 L925L875-L921 HydrophobicContact CD1-CD2 4.42Å; F879-L921 HydrophobicContact CD2-CD1 4.29Å; F879-L921 HydrophobicContact CE2-CD1 4.4Å; F879-L921 HydrophobicContact CE2-CD2 4.4Å; V883-L921 HydrophobicContact CG1-CD1 4.13Å; F886-L921 HydrophobicContact CD1-CD1 4.19Å; F886-L921 HydrophobicContact CE1-CD1 4.26Å; F886-L921 HydrophobicContact CE1-CD2 4.1Å; F910-L921 HydrophobicContact CE1-CD2 4.15Å; F910-L921 HydrophobicContact CZ-CD2 3.76Å; Q918-L921 HydrophobicContact CB-CB 4.37Å; Q918-L921 PolarHBondContact O-N 2.83Å; F919-L921 VanDerWaalsContact C-N 3.28Å; F919-L921 PolarHBondContact O-N 3.09Å; L921-E923 VanDerWaalsContact C-N 3.33Å; L921-Q924 PolarHBondContact O-N 3.48Å; L921-L925 PolarHBondContact O-N 3.41Å
922V77.8Confident68.8Low5 Ų556.5 Ų56.53%0.0333%0.326CS..Hα-helixtrans-64.8-38.7177.7177.40000111.1A914 I915 Q918 F919 Q924 L925 L926A914-V922 HydrophobicContact CB-CG2 3.93Å; A914-V922 WeakPolarHBondContact O-CG2 3.38Å; I915-V922 HydrophobicContact CG1-CG1 4.24Å; I915-V922 HydrophobicContact CG1-CG2 4.11Å; Q918-V922 PolarHBondContact O-N 3.41Å; F919-V922 WeakPolarHBondContact O-CB 3.09Å; F919-V922 PolarHBondContact O-N 2.98Å; V922-Q924 VanDerWaalsContact C-N 3.3Å; V922-Q924 PolarHBondContact O-N 3.41Å; V922-L925 PolarHBondContact O-N 3.18Å; V922-L926 HydrophobicContact CG1-CD1 3.92Å; V922-L926 WeakPolarHBondContact O-CD1 3.35Å; V922-L926 VanDerWaalsContact O-CG 3.3Å; V922-L926 WeakPolarHBondContact O-CG 3.49Å; V922-L926 PolarHBondContact O-N 3.06Å; V922-L926 VanDerWaalsContact O-N 3.12Å
923E76.7Confident66.3Low102 Ų10260.6 Ų60.648%0.47736%0.355SS..Hα-helixtrans-58.8-40.3172.6-71-173.9142.500112.3F919 L921 L926 A927F919-E923 HydrophobicContact CD1-CG 4.06Å; F919-E923 VanDerWaalsContact CE1-CD 3.44Å; F919-E923 HydrophobicContact CE1-CG 3.74Å; F919-E923 WeakPolarHBondContact CE1-OE1 3.45Å; F919-E923 HydrophobicContact CZ-CG 4.16Å; F919-E923 PolarHBondContact O-N 2.8Å; L921-E923 VanDerWaalsContact C-N 3.33Å; E923-L926 PolarHBondContact O-N 2.84Å; E923-A927 PolarHBondContact O-N 2.92Å
924Q75.2Confident63.4Low72 Ų7271.1 Ų71.134%0.33639%0.392SS..Hα-helixtrans-71.6-32.6177.3-65.2-65.4-43.400112.9L876 V883 G920 L921 V922 L926L876-Q924 HydrophobicContact CD1-CG 4.26Å; V883-Q924 HydrophobicContact CG1-CB 3.89Å; V883-Q924 HydrophobicContact CG1-CG 3.94Å; G920-Q924 WeakPolarHBondContact O-CG 3.13Å; L921-Q924 PolarHBondContact O-N 3.48Å; V922-Q924 VanDerWaalsContact C-N 3.3Å; V922-Q924 PolarHBondContact O-N 3.41Å; Q924-L926 PolarHBondContact O-N 2.77Å
925L73.6Confident60.9Low18 Ų1876.7 Ų76.79%0.09443%0.428CS..Hα-helixtrans-67.3-24.1172.6-75.2165.7000112.5C887 F890 L911 L921 V922 I949C887-L925 HydrophobicContact CB-CD2 3.81Å; C887-L925 VanDerWaalsContact SG-CD2 3.6Å; F890-L925 HydrophobicContact CD1-CD2 3.93Å; F890-L925 HydrophobicContact CG-CD2 4.47Å; L911-L925 HydrophobicContact CD1-CD1 4.13Å; L921-L925 PolarHBondContact O-N 3.41Å; V922-L925 PolarHBondContact O-N 3.18Å; L925-I949 HydrophobicContact CB-CD1 4.33Å; L925-I949 HydrophobicContact CD2-CD1 4.31Å; L925-I949 WeakPolarHBondContact O-CD1 3.33Å
926L65.3Low58.3Low52 Ų5285.9 Ų85.927%0.27247%0.471SS..Hα-helixtrans-91.9-26.4179.9-72.6163.6000113.7V922 E923 Q924 E928 F950 I985V922-L926 HydrophobicContact CG1-CD1 3.92Å; V922-L926 WeakPolarHBondContact O-CD1 3.35Å; V922-L926 VanDerWaalsContact O-CG 3.3Å; V922-L926 WeakPolarHBondContact O-CG 3.49Å; V922-L926 PolarHBondContact O-N 3.06Å; V922-L926 VanDerWaalsContact O-N 3.12Å; E923-L926 PolarHBondContact O-N 2.84Å; Q924-L926 PolarHBondContact O-N 2.77Å; L926-E928 PolarHBondContact O-N 3.48Å; L926-F950 HydrophobicContact CD2-CD2 3.82Å; L926-F950 HydrophobicContact CD2-CE2 3.5Å; L926-I985 HydrophobicContact CD1-CD1 3.41Å; L926-I985 VanDerWaalsContact CD1-CD1 3.41Å; L926-I985 HydrophobicContact CD1-CG1 3.74Å; L926-I985 HydrophobicContact CD2-CD1 4.08Å; L926-I985 HydrophobicContact CD2-CG1 4.01Å; L926-I985 HydrophobicContact CG-CD1 4.36Å
927A57.5Low55.9Low61 Ų6185.9 Ų85.950%0.50449%0.49SS..  trans-68.6112.2-176.900000111.3E923E923-A927 PolarHBondContact O-N 2.92Å
928E51.4Low53.4Low93 Ų9391.8 Ų91.844%0.43552%0.519SS..  trans-73.2149.3164.3-78.1-175.7158.900110.2L926 E930 L945 G947L926-E928 PolarHBondContact O-N 3.48Å; E928-E930 PolarHBondContact O-N 3.34Å; E928-L945 HydrophobicContact CB-CD2 4.22Å; E928-G947 WeakPolarHBondContact OE1-CA 3.42Å
929P44.2Very low50.9Low100 Ų100100.4 Ų100.465%0.64956%0.56SS**  trans-67.5110.2173.828.2-31000108.7A931P929-A931 PolarHBondContact O-N 2.8Å
930E34.4Very low48.4Very low175 Ų175103.5 Ų103.582%0.81858%0.576SS**  trans-58.4107.2167.7-70.8-171.8167.900108.6E928 S932E928-E930 PolarHBondContact O-N 3.34Å; E930-S932 PolarHBondContact O-N 3.12Å
931A32.4Very low46Very low89 Ų89106.7 Ų106.774%0.73659%0.594SS**  trans-62.1110.9170.800000108.7P929 S933P929-A931 PolarHBondContact O-N 2.8Å; A931-S933 VanDerWaalsContact C-N 3.32Å; A931-S933 PolarHBondContact O-N 3Å
932S29.1Very low43.6Very low127 Ų127113.5 Ų113.589%0.88863%0.631SS**  trans-59.888169.455.70000111E930E930-S932 PolarHBondContact O-N 3.12Å
933S30.7Very low41.5Very low96 Ų96123 Ų12367%0.67167%0.671SS**  trans-161.6104153.857.90000109.3A931 P935A931-S933 VanDerWaalsContact C-N 3.32Å; A931-S933 PolarHBondContact O-N 3Å; S933-P935 VanDerWaalsContact O-CD 3.29Å; S933-P935 WeakPolarHBondContact O-CD 3.39Å
934R26Very low39.4Very low246 Ų246122.7 Ų122.793%0.92868%0.676SS**  trans-63.9127.4166-69.8173.7172.5165.2-2.4109.3
935P31.8Very low37.5Very low118 Ų118123.5 Ų123.577%0.76668%0.682SS**  trans-104.6121147.726-8.8000108.4S933S933-P935 VanDerWaalsContact O-CD 3.29Å; S933-P935 WeakPolarHBondContact O-CD 3.39Å
936Q29.4Very low35.9Very low197 Ų197125.5 Ų125.592%0.92170%0.696SS**  trans-67.8129.4163.1-66.4173.3-24.800107.9
937G30.5Very low35Very low73 Ų73123.8 Ų123.875%0.75369%0.691SS**  trans154.1120.4172.700000111.9
938D31.1Very low34.9Very low161 Ų161122.7 Ų122.786%0.86169%0.685SS**  trans-61.5157.5-179.4-62.5-58.3000113.5
939E30Very low35.6Very low183 Ų183118.9 Ų118.986%0.85567%0.667SS**  trans91.3123.2170.9-53-173.4166.100117.3
940E28.1Very low36.5Very low181 Ų181115 Ų11585%0.84664%0.641SS**  trans87.288.7163.8-55.5-170.1163.700121.2
941S28.2Very low37.9Very low90 Ų90109.8 Ų109.863%0.62962%0.618SS**  73.4104.2124.967.50000122K943S941-K943 VanDerWaalsContact C-N 3.34Å; S941-K943 PolarHBondContact O-N 3.3Å
942D31.3Very low39.3Very low145 Ų145106.8 Ų106.878%0.77559%0.592SS**  49.820.3116.4-74.1-3.6000121.9V944D942-V944 PolarHBondContact O-N 3.39Å
943K34.7Very low41.2Very low203 Ų203100.9 Ų100.988%0.88355%0.55SS**  trans-83.165166.7-74.1-179-179.5172.80111.4S941S941-K943 VanDerWaalsContact C-N 3.34Å; S941-K943 PolarHBondContact O-N 3.3Å
944V32.9Very low42.8Very low96 Ų9697.2 Ų97.258%0.58252%0.524SS*.  trans-112.3104.4178.3177.30000109.3D942D942-V944 PolarHBondContact O-N 3.39Å
945L35Very low44.7Very low89 Ų8990.4 Ų90.447%0.46650%0.501SS..  trans66.788.7137.2-54169000118.7E928E928-L945 HydrophobicContact CB-CD2 4.22Å
946T40Very low46.2Very low61 Ų6185.5 Ų85.537%0.37447%0.468SS..  trans-141.186.7157.252.50000112.7C988T946-C988 HydrophobicContact CG2-CB 3.09Å; T946-C988 WeakPolarHBondContact CG2-SG 3.38Å
947G46.9Very low47.9Very low16 Ų1676.9 Ų76.917%0.16543%0.429CS..  trans-52.7145.7-17600000115.9E928 I949 F950E928-G947 WeakPolarHBondContact OE1-CA 3.42Å; G947-I949 VanDerWaalsContact C-N 3.26Å; G947-I949 PolarHBondContact O-N 2.82Å; G947-F950 PolarHBondContact O-N 3.37Å
948G55.5Low49.4Very low37 Ų3779 Ų7938%0.38142%0.419SS..Hα-helixtrans-58.3-14.2-164.300000118.5Q895 S952Q895-G948 PolarHBondContact NE2-O 3.25Å; G948-S952 WeakPolarHBondContact O-CB 3.43Å; G948-S952 PolarHBondContact O-N 2.96Å; G948-S952 PolarHBondContact O-OG 2.93Å; G948-S952 VanDerWaalsContact O-OG 3.06Å
949I64.6Low50.9Low13 Ų1377.7 Ų77.77%0.06741%0.408CS..Hα-helixtrans-64.5-50.5179.4-58.7169.6000110.7T891 L925 G947 S952 L953T891-I949 HydrophobicContact CG2-CD1 4.39Å; T891-I949 HydrophobicContact CG2-CG1 3.61Å; T891-I949 VanDerWaalsContact OG1-CD1 3.26Å; T891-I949 WeakPolarHBondContact OG1-CD1 3.23Å; T891-I949 WeakPolarHBondContact OG1-CG1 3.42Å; L925-I949 HydrophobicContact CB-CD1 4.33Å; L925-I949 HydrophobicContact CD2-CD1 4.31Å; L925-I949 WeakPolarHBondContact O-CD1 3.33Å; G947-I949 VanDerWaalsContact C-N 3.26Å; G947-I949 PolarHBondContact O-N 2.82Å; I949-S952 WeakPolarHBondContact O-CB 3.01Å; I949-S952 PolarHBondContact O-N 3.15Å; I949-S952 VanDerWaalsContact O-N 3.15Å; I949-L953 HydrophobicContact CG2-CD1 4.37Å; I949-L953 HydrophobicContact CG2-CG 4.48Å; I949-L953 WeakPolarHBondContact O-CG 3.43Å; I949-L953 PolarHBondContact O-N 3.35Å
950F64.5Low52.2Low20 Ų2070.1 Ų70.19%0.08837%0.374CS..Hα-helixtrans-71.7-34.6-174.4-78.6-82.4000113.2L926 G947 S952 L953 V954 V977 I985 L989L926-F950 HydrophobicContact CD2-CD2 3.82Å; L926-F950 HydrophobicContact CD2-CE2 3.5Å; G947-F950 PolarHBondContact O-N 3.37Å; F950-S952 PolarHBondContact O-N 3.46Å; F950-L953 HydrophobicContact CD1-CD1 3.85Å; F950-L953 HydrophobicContact CE1-CD1 4.03Å; F950-L953 HydrophobicContact CG-CD1 4.44Å; F950-L953 PolarHBondContact O-N 2.79Å; F950-V954 WeakPolarHBondContact O-CG2 3.44Å; F950-V954 PolarHBondContact O-N 2.66Å; F950-V977 HydrophobicContact CE1-CG2 4.11Å; F950-V977 HydrophobicContact CZ-CG2 4.24Å; F950-I985 HydrophobicContact CD1-CG2 4.22Å; F950-I985 HydrophobicContact CD2-CG2 4.29Å; F950-I985 HydrophobicContact CE1-CG2 4.02Å; F950-I985 HydrophobicContact CE2-CD1 4.47Å; F950-I985 HydrophobicContact CE2-CG2 4.1Å; F950-I985 HydrophobicContact CG-CG2 4.35Å; F950-I985 HydrophobicContact CZ-CD1 4.38Å; F950-I985 HydrophobicContact CZ-CG2 3.95Å; F950-L989 HydrophobicContact CB-CD2 4.19Å; F950-L989 HydrophobicContact CD1-CD1 4.37Å; F950-L989 HydrophobicContact CD1-CD2 4.3Å
951N63.7Low53.5Low64 Ų6464.6 Ų64.634%0.34236%0.359SS..Hα-helixtrans-62.3-34.4171-76.9-30.9000111.8K955N951-K955 WeakPolarHBondContact O-CG 3.38Å; N951-K955 PolarHBondContact O-N 2.94Å
952S62.4Low54.7Low26 Ų2662.8 Ų62.818%0.18234%0.342CS..Hα-helixtrans-73.8-36.6174.3-64.90000112.4Q895 G948 I949 F950 V954 K955 I956Q895-S952 PolarHBondContact NE2-OG 3.48Å; Q895-S952 VanDerWaalsContact NE2-OG 3.15Å; G948-S952 WeakPolarHBondContact O-CB 3.43Å; G948-S952 PolarHBondContact O-N 2.96Å; G948-S952 PolarHBondContact O-OG 2.93Å; G948-S952 VanDerWaalsContact O-OG 3.06Å; I949-S952 WeakPolarHBondContact O-CB 3.01Å; I949-S952 PolarHBondContact O-N 3.15Å; I949-S952 VanDerWaalsContact O-N 3.15Å; F950-S952 PolarHBondContact O-N 3.46Å; S952-V954 VanDerWaalsContact C-N 3.33Å; S952-V954 PolarHBondContact O-N 3.46Å; S952-K955 PolarHBondContact O-N 3.23Å; S952-I956 VanDerWaalsContact O-CG1 3.27Å; S952-I956 WeakPolarHBondContact O-CG1 3.23Å; S952-I956 PolarHBondContact O-N 3.15Å
953L67.7Low55.9Low3 Ų360.4 Ų60.42%0.01633%0.333CS..Hα-helixtrans-60.2-41.9172.8-66.1176.4000111.9V894 L908 I949 F950 K955 I956 V957 V970V894-L953 HydrophobicContact CG1-CD2 4.4Å; L908-L953 HydrophobicContact CD2-CD2 3.57Å; I949-L953 HydrophobicContact CG2-CD1 4.37Å; I949-L953 HydrophobicContact CG2-CG 4.48Å; I949-L953 WeakPolarHBondContact O-CG 3.43Å; I949-L953 PolarHBondContact O-N 3.35Å; F950-L953 HydrophobicContact CD1-CD1 3.85Å; F950-L953 HydrophobicContact CE1-CD1 4.03Å; F950-L953 HydrophobicContact CG-CD1 4.44Å; F950-L953 PolarHBondContact O-N 2.79Å; L953-K955 VanDerWaalsContact C-N 3.34Å; L953-K955 PolarHBondContact O-N 3.23Å; L953-I956 HydrophobicContact CD2-CD1 4.41Å; L953-I956 WeakPolarHBondContact O-CB 3.33Å; L953-I956 PolarHBondContact O-N 3.05Å; L953-V957 WeakPolarHBondContact O-CG2 3.2Å; L953-V957 PolarHBondContact O-N 3.44Å; L953-V970 HydrophobicContact CB-CG1 4.43Å; L953-V970 HydrophobicContact CD2-CG2 4.23Å
954V64.1Low57.3Low20 Ų2054.2 Ų54.212%0.12131%0.309CS..Hα-helixtrans-63.6-39.2176.7175.70000111.5F950 S952 V957 Q958 L989 V992 I998F950-V954 WeakPolarHBondContact O-CG2 3.44Å; F950-V954 PolarHBondContact O-N 2.66Å; S952-V954 VanDerWaalsContact C-N 3.33Å; S952-V954 PolarHBondContact O-N 3.46Å; V954-V957 PolarHBondContact O-N 3.38Å; V954-Q958 WeakPolarHBondContact O-CG 3.28Å; V954-Q958 PolarHBondContact O-N 2.77Å; V954-L989 HydrophobicContact CG2-CD2 4.21Å; V954-V992 HydrophobicContact CG1-CG1 4.38Å; V954-I998 HydrophobicContact CG1-CD1 4.34Å
955K66.6Low59Low102 Ų10255.3 Ų55.344%0.44331%0.312SS..Hα-helixtrans-64.3-39.4173-70.9178.6-179.4-177.70112.4N951 S952 L953 V957 Q958 E959N951-K955 WeakPolarHBondContact O-CG 3.38Å; N951-K955 PolarHBondContact O-N 2.94Å; S952-K955 PolarHBondContact O-N 3.23Å; L953-K955 VanDerWaalsContact C-N 3.34Å; L953-K955 PolarHBondContact O-N 3.23Å; K955-V957 VanDerWaalsContact C-N 3.32Å; K955-V957 PolarHBondContact O-N 2.8Å; K955-Q958 WeakPolarHBondContact O-CB 2.65Å; K955-Q958 PolarHBondContact O-N 3.45Å; K955-Q958 VanDerWaalsContact O-N 3.14Å; K955-E959 WeakPolarHBondContact O-CG 3.42Å; K955-E959 PolarHBondContact O-N 3.17Å
956I63.7Low60.8Low15 Ų1551.8 Ų51.88%0.07729%0.293CS..Hα-helixtrans-62.2-41176.7-68.2163.8000110.6S952 L953 Q958 E959 V960 I966 V970S952-I956 VanDerWaalsContact O-CG1 3.27Å; S952-I956 WeakPolarHBondContact O-CG1 3.23Å; S952-I956 PolarHBondContact O-N 3.15Å; L953-I956 HydrophobicContact CD2-CD1 4.41Å; L953-I956 WeakPolarHBondContact O-CB 3.33Å; L953-I956 PolarHBondContact O-N 3.05Å; I956-Q958 VanDerWaalsContact C-N 3.27Å; I956-Q958 PolarHBondContact O-N 3.44Å; I956-E959 PolarHBondContact O-N 2.85Å; I956-V960 HydrophobicContact CG2-CG2 3.91Å; I956-V960 WeakPolarHBondContact O-CB 3.45Å; I956-V960 WeakPolarHBondContact O-CG2 3.33Å; I956-V960 PolarHBondContact O-N 2.65Å; I956-V960 VanDerWaalsContact O-N 3.12Å; I956-I966 HydrophobicContact CG2-CG2 3.86Å; I956-V970 HydrophobicContact CG2-CG2 4.32Å
957V63.7Low62.4Low17 Ų1749.1 Ų49.110%0.10328%0.277CS..Hα-helixtrans-66.3-29.7176.4-176.80000112L953 V954 K955 V970 I998L953-V957 WeakPolarHBondContact O-CG2 3.2Å; L953-V957 PolarHBondContact O-N 3.44Å; V954-V957 PolarHBondContact O-N 3.38Å; K955-V957 VanDerWaalsContact C-N 3.32Å; K955-V957 PolarHBondContact O-N 2.8Å; V957-V970 HydrophobicContact CG2-CB 4.33Å; V957-V970 HydrophobicContact CG2-CG1 3.53Å; V957-I998 HydrophobicContact CB-CG2 3.94Å; V957-I998 HydrophobicContact CG1-CG2 3.45Å; V957-I998 VanDerWaalsContact CG1-CG2 3.45Å
958Q62.3Low63.6Low117 Ų11750.5 Ų50.555%0.54728%0.282SS..Hα-helixtrans-75-35175.9-70.3173.6-10.900113.4V954 K955 I956 I998V954-Q958 WeakPolarHBondContact O-CG 3.28Å; V954-Q958 PolarHBondContact O-N 2.77Å; K955-Q958 WeakPolarHBondContact O-CB 2.65Å; K955-Q958 PolarHBondContact O-N 3.45Å; K955-Q958 VanDerWaalsContact O-N 3.14Å; I956-Q958 VanDerWaalsContact C-N 3.27Å; I956-Q958 PolarHBondContact O-N 3.44Å; Q958-I998 HydrophobicContact CG-CD1 3.84Å; Q958-I998 HydrophobicContact CG-CG1 4.2Å; Q958-I998 HydrophobicContact CG-CG2 4.32Å
959E62.8Low64.4Low134 Ų13448.8 Ų48.863%0.62626%0.264SS*.Hα-helixtrans-88.9-24.8-173.3-72176.3-178.200114K899 K955 I956K899-E959 IonicContact NZ-OE2 3.48Å; K899-E959 PolarHBondContact NZ-OE2 2.86Å; K955-E959 WeakPolarHBondContact O-CG 3.42Å; K955-E959 PolarHBondContact O-N 3.17Å; I956-E959 PolarHBondContact O-N 2.85Å
960V58.2Low65Low24 Ų2448.2 Ų48.215%0.14526%0.261CS..SBendtrans-96.6125.6-168.31790000111.5I956 N964I956-V960 HydrophobicContact CG2-CG2 3.91Å; I956-V960 WeakPolarHBondContact O-CB 3.45Å; I956-V960 WeakPolarHBondContact O-CG2 3.33Å; I956-V960 PolarHBondContact O-N 2.65Å; I956-V960 VanDerWaalsContact O-N 3.12Å; V960-N964 HydrophobicContact CG1-CB 3.62Å; V960-N964 WeakPolarHBondContact CG1-ND2 3.37Å
961A54.9Low65.6Low64 Ų6447.3 Ų47.353%0.52926%0.257SS..  trans-55.3140.2173.100000111.5T963 N964A961-T963 PolarHBondContact O-N 2.91Å; A961-N964 PolarHBondContact O-N 3Å
962I54.1Low66.2Low53 Ų5345.6 Ų45.627%0.27225%0.248SC..THydrogen-bonded Turntrans-56-14.8-166.4-58.4170000113.8A1005 L1014I962-A1005 HydrophobicContact CD1-CB 4.46Å; I962-L1014 HydrophobicContact CG2-CD1 4.16Å; I962-L1014 WeakPolarHBondContact O-CD1 3.49Å
963T55.7Low67Low94 Ų9444.3 Ų44.358%0.57724%0.239SC*.THydrogen-bonded Turntrans-940.8-173.752.90000115.9A961A961-T963 PolarHBondContact O-N 2.91Å
964N63.5Low67.5Low73 Ų7344.6 Ų44.639%0.3924%0.241SC..  trans-88.5142.1-172.7-74-6.7000113.5V960 A961 I966 H967 T968V960-N964 HydrophobicContact CG1-CB 3.62Å; V960-N964 WeakPolarHBondContact CG1-ND2 3.37Å; A961-N964 PolarHBondContact O-N 3Å; N964-I966 PolarHBondContact O-N 3Å; N964-I966 VanDerWaalsContact O-N 3.08Å; N964-H967 WeakPolarHBondContact O-CA 3.24Å; N964-H967 VanDerWaalsContact O-CB 3.28Å; N964-H967 WeakPolarHBondContact O-CB 3.48Å; N964-H967 PolarHBondContact O-N 2.9Å; N964-T968 PolarHBondContact O-N 3.19Å
965D69.4Low68.2Low119 Ų11943.9 Ų43.964%0.63624%0.236SC*.Hα-helixtrans-51.6-34.1174.2-65.2-32000112.5V905 H967 T968 A969V905-D965 HydrophobicContact CG2-CB 3.91Å; D965-H967 VanDerWaalsContact C-N 3.31Å; D965-H967 PolarHBondContact O-N 3.04Å; D965-T968 PolarHBondContact O-N 3.25Å; D965-T968 PolarHBondContact O-OG1 3.11Å; D965-A969 PolarHBondContact O-N 2.84Å
966I72.9Confident68.7Low15 Ų1540.7 Ų40.78%0.07722%0.222CC..Hα-helixtrans-57.2-45.3173.9-59.2172.3000110.8P901 T904 V905 L908 I956 N964 T968 A969 V970P901-I966 HydrophobicContact CB-CD1 3.93Å; P901-I966 HydrophobicContact CB-CG1 4.32Å; T904-I966 HydrophobicContact CG2-CG2 4.35Å; V905-I966 HydrophobicContact CG2-CG1 3.89Å; L908-I966 HydrophobicContact CD1-CG2 4.3Å; I956-I966 HydrophobicContact CG2-CG2 3.86Å; N964-I966 PolarHBondContact O-N 3Å; N964-I966 VanDerWaalsContact O-N 3.08Å; I966-T968 VanDerWaalsContact C-N 3.34Å; I966-T968 PolarHBondContact O-N 3.17Å; I966-A969 PolarHBondContact O-N 2.94Å; I966-V970 HydrophobicContact CG2-CG2 4.35Å; I966-V970 WeakPolarHBondContact O-CG2 3.48Å; I966-V970 PolarHBondContact O-N 3.23Å
967H73.7Confident69.4Low5 Ų540 Ų402%0.02322%0.219CC..Hα-helixtrans-62.5-42.8179.1-175-75.4000110.6N964 D965 A969 V970 M971N964-H967 WeakPolarHBondContact O-CA 3.24Å; N964-H967 VanDerWaalsContact O-CB 3.28Å; N964-H967 WeakPolarHBondContact O-CB 3.48Å; N964-H967 PolarHBondContact O-N 2.9Å; D965-H967 VanDerWaalsContact C-N 3.31Å; D965-H967 PolarHBondContact O-N 3.04Å; H967-A969 VanDerWaalsContact C-N 3.32Å; H967-A969 PolarHBondContact O-N 3.02Å; H967-V970 PolarHBondContact O-N 3.21Å; H967-M971 VanDerWaalsContact CE1-CG 3.45Å; H967-M971 WeakPolarHBondContact CE1-CG 3.02Å; H967-M971 WeakPolarHBondContact O-CB 3.25Å; H967-M971 VanDerWaalsContact O-CG 3.26Å; H967-M971 WeakPolarHBondContact O-CG 3.27Å; H967-M971 PolarHBondContact O-N 3.24Å
968T72.6Confident70.1Confident46 Ų4639.9 Ų39.928%0.28222%0.216SC..Hα-helixtrans-59.4-43.5175.672.50000111.7N964 D965 I966 M971 N972 L1014N964-T968 PolarHBondContact O-N 3.19Å; D965-T968 PolarHBondContact O-N 3.25Å; D965-T968 PolarHBondContact O-OG1 3.11Å; I966-T968 VanDerWaalsContact C-N 3.34Å; I966-T968 PolarHBondContact O-N 3.17Å; T968-M971 PolarHBondContact O-N 3.18Å; T968-N972 VanDerWaalsContact O-CG 3.27Å; T968-N972 PolarHBondContact O-N 2.77Å; T968-N972 PolarHBondContact O-ND2 2.94Å; T968-L1014 HydrophobicContact CG2-CD2 3.39Å; T968-L1014 HydrophobicContact CG2-CG 4.44Å
969A72Confident70.7Confident0 Ų038 Ų380%021%0.209CC..Hα-helixtrans-68.2-41.5-178.200000111.8V905 L908 D965 I966 H967 N972 V973V905-A969 HydrophobicContact CG1-CB 4.34Å; L908-A969 HydrophobicContact CB-CB 3.71Å; L908-A969 HydrophobicContact CD1-CB 3.82Å; L908-A969 HydrophobicContact CG-CB 4.44Å; D965-A969 PolarHBondContact O-N 2.84Å; I966-A969 PolarHBondContact O-N 2.94Å; H967-A969 VanDerWaalsContact C-N 3.32Å; H967-A969 PolarHBondContact O-N 3.02Å; A969-N972 PolarHBondContact O-N 3.45Å; A969-V973 WeakPolarHBondContact O-CG2 3.48Å; A969-V973 PolarHBondContact O-N 3.31Å; A969-V973 VanDerWaalsContact O-N 3.09Å
970V77.6Confident71.1Confident1 Ų136.5 Ų36.51%0.00620%0.2CC..Hα-helixtrans-62.8-44174.7177.60000111L908 L953 I956 V957 I966 H967 N972 V973 L974L908-V970 HydrophobicContact CD1-CG2 3.52Å; L908-V970 HydrophobicContact CD2-CG2 4.22Å; L953-V970 HydrophobicContact CB-CG1 4.43Å; L953-V970 HydrophobicContact CD2-CG2 4.23Å; I956-V970 HydrophobicContact CG2-CG2 4.32Å; V957-V970 HydrophobicContact CG2-CB 4.33Å; V957-V970 HydrophobicContact CG2-CG1 3.53Å; I966-V970 HydrophobicContact CG2-CG2 4.35Å; I966-V970 WeakPolarHBondContact O-CG2 3.48Å; I966-V970 PolarHBondContact O-N 3.23Å; H967-V970 PolarHBondContact O-N 3.21Å; V970-N972 VanDerWaalsContact C-N 3.31Å; V970-N972 PolarHBondContact O-N 3.29Å; V970-V973 WeakPolarHBondContact O-CB 3.47Å; V970-V973 PolarHBondContact O-N 2.79Å; V970-V973 VanDerWaalsContact O-N 3.15Å; V970-L974 HydrophobicContact CG1-CD1 4.03Å; V970-L974 HydrophobicContact CG1-CG 4.48Å; V970-L974 WeakPolarHBondContact O-CG 3.46Å; V970-L974 PolarHBondContact O-N 2.94Å
971M75.7Confident71.5Confident1 Ų140.3 Ų40.31%0.00522%0.22CC..Hα-helixtrans-63.8-35.9178.2-69.4-54.7-58.900112.5H967 T968 L974 E975 P1017 V1018 I1021H967-M971 VanDerWaalsContact CE1-CG 3.45Å; H967-M971 WeakPolarHBondContact CE1-CG 3.02Å; H967-M971 WeakPolarHBondContact O-CB 3.25Å; H967-M971 VanDerWaalsContact O-CG 3.26Å; H967-M971 WeakPolarHBondContact O-CG 3.27Å; H967-M971 PolarHBondContact O-N 3.24Å; T968-M971 PolarHBondContact O-N 3.18Å; M971-L974 PolarHBondContact O-N 3.49Å; M971-L974 HydrophobicContact SD-CD1 4.14Å; M971-E975 WeakPolarHBondContact O-CB 3.39Å; M971-E975 PolarHBondContact O-N 3.45Å; M971-P1017 HydrophobicContact CB-CB 4Å; M971-P1017 HydrophobicContact CB-CG 4.16Å; M971-P1017 HydrophobicContact CE-CB 4.44Å; M971-V1018 HydrophobicContact CE-CG2 3.47Å; M971-V1018 VanDerWaalsContact CE-CG2 3.47Å; M971-I1021 HydrophobicContact CE-CD1 4.2Å
972N76.5Confident72.1Confident28 Ų2837.9 Ų37.915%0.1520%0.198CC..Hα-helixtrans-63.9-41.5172.3-71.6-34.2000111.9T968 A969 V970 L974 E975 K976 R1071T968-N972 VanDerWaalsContact O-CG 3.27Å; T968-N972 PolarHBondContact O-N 2.77Å; T968-N972 PolarHBondContact O-ND2 2.94Å; A969-N972 PolarHBondContact O-N 3.45Å; V970-N972 VanDerWaalsContact C-N 3.31Å; V970-N972 PolarHBondContact O-N 3.29Å; N972-L974 VanDerWaalsContact C-N 3.35Å; N972-L974 PolarHBondContact O-N 3.37Å; N972-E975 PolarHBondContact O-N 2.86Å; N972-K976 WeakPolarHBondContact O-CG 3.29Å; N972-K976 PolarHBondContact O-N 2.87Å; N972-K976 VanDerWaalsContact O-N 3.13Å; N972-R1071 PolarHBondContact OD1-NH2 3.26Å
973V78.6Confident72.7Confident0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-60-47.6175.3175.40000110.2L908 L911 I915 A969 V970 K976 V977L908-V973 HydrophobicContact CB-CG2 4.26Å; L908-V973 HydrophobicContact CD2-CG2 4.2Å; L908-V973 VanDerWaalsContact O-CG2 3.24Å; L908-V973 WeakPolarHBondContact O-CG2 3.5Å; L911-V973 HydrophobicContact CB-CG2 4.3Å; L911-V973 HydrophobicContact CD2-CG1 3.78Å; L911-V973 HydrophobicContact CD2-CG2 4.33Å; L911-V973 HydrophobicContact CG-CG1 4.06Å; L911-V973 HydrophobicContact CG-CG2 4.41Å; I915-V973 HydrophobicContact CD1-CG1 3.87Å; A969-V973 WeakPolarHBondContact O-CG2 3.48Å; A969-V973 PolarHBondContact O-N 3.31Å; A969-V973 VanDerWaalsContact O-N 3.09Å; V970-V973 WeakPolarHBondContact O-CB 3.47Å; V970-V973 PolarHBondContact O-N 2.79Å; V970-V973 VanDerWaalsContact O-N 3.15Å; V973-K976 PolarHBondContact O-N 3.37Å; V973-V977 WeakPolarHBondContact O-CG2 3.37Å; V973-V977 PolarHBondContact O-N 3.23Å
974L78.9Confident73.1Confident8 Ų840.7 Ų40.74%0.04221%0.213CC..Hα-helixtrans-63.7-42.6179.8-65.4168.1000111.8V970 M971 N972 K976 V977 W978 L989 L999 I1021V970-L974 HydrophobicContact CG1-CD1 4.03Å; V970-L974 HydrophobicContact CG1-CG 4.48Å; V970-L974 WeakPolarHBondContact O-CG 3.46Å; V970-L974 PolarHBondContact O-N 2.94Å; M971-L974 PolarHBondContact O-N 3.49Å; M971-L974 HydrophobicContact SD-CD1 4.14Å; N972-L974 VanDerWaalsContact C-N 3.35Å; N972-L974 PolarHBondContact O-N 3.37Å; L974-K976 VanDerWaalsContact C-N 3.28Å; L974-K976 PolarHBondContact O-N 3.42Å; L974-V977 PolarHBondContact O-N 3.03Å; L974-W978 HydrophobicContact CB-CZ3 4.42Å; L974-W978 HydrophobicContact CD2-CZ3 4Å; L974-W978 VanDerWaalsContact O-CE3 3.25Å; L974-W978 PolarHBondContact O-N 2.74Å; L974-W978 VanDerWaalsContact O-N 3.16Å; L974-L989 HydrophobicContact CD2-CD1 4.07Å; L974-L999 HydrophobicContact CD1-CD2 3.59Å; L974-I1021 HydrophobicContact CB-CD1 4.02Å
975E79Confident73.3Confident5 Ų537.6 Ų37.62%0.02320%0.197CC..Hα-helixtrans-52.6-46.6172.8178.1-174.9-16400111.5M971 N972 W978 M979 P1017 N1020 R1071M971-E975 WeakPolarHBondContact O-CB 3.39Å; M971-E975 PolarHBondContact O-N 3.45Å; N972-E975 PolarHBondContact O-N 2.86Å; E975-W978 PolarHBondContact O-N 3.41Å; E975-M979 HydrophobicContact CG-CE 3.71Å; E975-M979 HydrophobicContact CG-CG 4.43Å; E975-M979 HydrophobicContact CG-SD 4.13Å; E975-M979 WeakPolarHBondContact O-CB 3.25Å; E975-M979 WeakPolarHBondContact O-CG 3.4Å; E975-M979 PolarHBondContact O-N 3.36Å; E975-M979 WeakPolarHBondContact OE1-CE 3.46Å; E975-P1017 HydrophobicContact CB-CB 4.02Å; E975-P1017 HydrophobicContact CG-CB 4.49Å; E975-N1020 HydrophobicContact CG-CB 4.16Å; E975-N1020 PolarHBondContact OE1-ND2 3.17Å; E975-R1071 IonicContact OE2-NH2 3.86Å; E975-R1071 PolarHBondContact OE2-NH2 3.48Å
976K77.3Confident73.2Confident36 Ų3632.4 Ų32.416%0.15717%0.169CC..Hα-helixtrans-67.6-38.9178.9-61.4-52.7176.9171.20113.3S912 I915 E916 N972 V973 L974 W978 M979 F980S912-K976 WeakPolarHBondContact OG-CG 3.28Å; I915-K976 HydrophobicContact CB-CB 4.37Å; I915-K976 HydrophobicContact CG2-CB 4.02Å; E916-K976 HydrophobicContact CG-CD 4.17Å; E916-K976 HydrophobicContact CG-CG 4.44Å; E916-K976 WeakPolarHBondContact OE1-CD 3.27Å; E916-K976 WeakPolarHBondContact OE1-CE 3.5Å; E916-K976 IonicContact OE1-NZ 2.69Å; E916-K976 PolarHBondContact OE1-NZ 3.4Å; N972-K976 WeakPolarHBondContact O-CG 3.29Å; N972-K976 PolarHBondContact O-N 2.87Å; N972-K976 VanDerWaalsContact O-N 3.13Å; V973-K976 PolarHBondContact O-N 3.37Å; L974-K976 VanDerWaalsContact C-N 3.28Å; L974-K976 PolarHBondContact O-N 3.42Å; K976-W978 VanDerWaalsContact C-N 3.27Å; K976-W978 PolarHBondContact O-N 3.5Å; K976-M979 PolarHBondContact O-N 3.03Å; K976-F980 HydrophobicContact CB-CD2 4.46Å; K976-F980 HydrophobicContact CD-CE2 4.17Å; K976-F980 WeakPolarHBondContact O-CD2 3.49Å; K976-F980 PolarHBondContact O-N 3.4Å
977V77.5Confident73Confident0 Ų035.6 Ų35.60%019%0.187CC..Hα-helixtrans-57.5-41.7175.7172.30000111.4I915 F950 V973 L974 C982 I985 V986I915-V977 HydrophobicContact CD1-CG2 3.76Å; F950-V977 HydrophobicContact CE1-CG2 4.11Å; F950-V977 HydrophobicContact CZ-CG2 4.24Å; V973-V977 WeakPolarHBondContact O-CG2 3.37Å; V973-V977 PolarHBondContact O-N 3.23Å; L974-V977 PolarHBondContact O-N 3.03Å; V977-C982 HydrophobicContact CG1-CB 4.31Å; V977-C982 PolarHBondContact O-N 3.45Å; V977-I985 HydrophobicContact CG1-CB 4.05Å; V977-I985 HydrophobicContact CG1-CD1 4.5Å; V977-I985 HydrophobicContact CG1-CG2 3.84Å; V977-V986 HydrophobicContact CG1-CG2 3.95Å
978W79.2Confident72.6Confident15 Ų1536.7 Ų36.76%0.05719%0.194CC..Hα-helixtrans-75.1-43.1177.8-94.4-98.5000113L974 E975 K976 F980 N981 V986 L989 L999 I1021 C1024 E1025L974-W978 HydrophobicContact CB-CZ3 4.42Å; L974-W978 HydrophobicContact CD2-CZ3 4Å; L974-W978 VanDerWaalsContact O-CE3 3.25Å; L974-W978 PolarHBondContact O-N 2.74Å; L974-W978 VanDerWaalsContact O-N 3.16Å; E975-W978 PolarHBondContact O-N 3.41Å; K976-W978 VanDerWaalsContact C-N 3.27Å; K976-W978 PolarHBondContact O-N 3.5Å; W978-F980 PolarHBondContact O-N 3.14Å; W978-N981 PolarHBondContact O-N 3.19Å; W978-V986 HydrophobicContact CD2-CG2 4.24Å; W978-V986 HydrophobicContact CZ2-CG1 4.22Å; W978-L989 HydrophobicContact CH2-CB 4.09Å; W978-L989 HydrophobicContact CH2-CD1 3.54Å; W978-L989 HydrophobicContact CH2-CG 4.45Å; W978-L989 HydrophobicContact CZ3-CD1 3.46Å; W978-L989 VanDerWaalsContact CZ3-CD1 3.46Å; W978-L999 HydrophobicContact CH2-CD1 4.37Å; W978-I1021 HydrophobicContact CB-CG1 4.29Å; W978-I1021 HydrophobicContact CD2-CG1 4.5Å; W978-I1021 HydrophobicContact CD2-CG2 3.92Å; W978-I1021 HydrophobicContact CG-CB 4.5Å; W978-I1021 HydrophobicContact CG-CG1 4.38Å; W978-I1021 HydrophobicContact CG-CG2 3.95Å; W978-C1024 HydrophobicContact CB-CB 4.35Å; W978-E1025 PolarHBondContact NE1-OE1 3.12Å
979M74.5Confident72.3Confident78 Ų7834.9 Ų34.938%0.38418%0.183SC..Hα-helixtrans-61.5-39.8179.4-77.5-171.2177.200113.2E975 K976 N981 N1020E975-M979 HydrophobicContact CG-CE 3.71Å; E975-M979 HydrophobicContact CG-CG 4.43Å; E975-M979 HydrophobicContact CG-SD 4.13Å; E975-M979 WeakPolarHBondContact O-CB 3.25Å; E975-M979 WeakPolarHBondContact O-CG 3.4Å; E975-M979 PolarHBondContact O-N 3.36Å; E975-M979 WeakPolarHBondContact OE1-CE 3.46Å; K976-M979 PolarHBondContact O-N 3.03Å; M979-N981 VanDerWaalsContact C-N 3.31Å; M979-N1020 HydrophobicContact CE-CB 3.63Å; M979-N1020 WeakPolarHBondContact CE-ND2 3.48Å
980F71Confident72.2Confident101 Ų10138.5 Ų38.544%0.44320%0.199SC..THydrogen-bonded Turntrans-89.68.5-179.6-72.3-88.9000113.6I915 E916 K976 W978 C982I915-F980 HydrophobicContact CG2-CB 4.44Å; I915-F980 HydrophobicContact CG2-CD2 4.36Å; E916-F980 HydrophobicContact CB-CE2 4.05Å; E916-F980 HydrophobicContact CB-CZ 3.81Å; E916-F980 HydrophobicContact CG-CD2 4.47Å; E916-F980 HydrophobicContact CG-CE2 3.59Å; E916-F980 HydrophobicContact CG-CZ 3.84Å; K976-F980 HydrophobicContact CB-CD2 4.46Å; K976-F980 HydrophobicContact CD-CE2 4.17Å; K976-F980 WeakPolarHBondContact O-CD2 3.49Å; K976-F980 PolarHBondContact O-N 3.4Å; W978-F980 PolarHBondContact O-N 3.14Å; F980-C982 PolarHBondContact O-N 3.37Å
981N68Low71.5Confident105 Ų10546.6 Ų46.656%0.56123%0.229SC*.THydrogen-bonded Turntrans51.648.1173.2-168.725.1000114.3W978 M979 Q983W978-N981 PolarHBondContact O-N 3.19Å; M979-N981 VanDerWaalsContact C-N 3.31Å; N981-Q983 PolarHBondContact O-N 3.24Å; N981-Q983 VanDerWaalsContact OD1-CG 3.27Å; N981-Q983 WeakPolarHBondContact OD1-CG 3.19Å
982C66.1Low71Confident12 Ų1248.6 Ų48.68%0.08124%0.241CC..  trans-7275.7172.9-65.40000110.4V977 F980 S984 I985 V986V977-C982 HydrophobicContact CG1-CB 4.31Å; V977-C982 PolarHBondContact O-N 3.45Å; F980-C982 PolarHBondContact O-N 3.37Å; C982-S984 PolarHBondContact O-N 2.82Å; C982-S984 VanDerWaalsContact O-N 3.12Å; C982-I985 HydrophobicContact CB-CB 4.23Å; C982-I985 HydrophobicContact CB-CD1 3.72Å; C982-I985 HydrophobicContact CB-CG1 4.06Å; C982-I985 PolarHBondContact O-N 3.12Å; C982-V986 WeakPolarHBondContact O-CG2 3.41Å; C982-V986 PolarHBondContact O-N 2.82Å
983Q67.4Low70.3Confident121 Ų12155.1 Ų55.157%0.56527%0.271SS*.Hα-helixtrans-54.5-35.7-170.9-70.9-168.5-1100113.8N981 N987N981-Q983 PolarHBondContact O-N 3.24Å; N981-Q983 VanDerWaalsContact OD1-CG 3.27Å; N981-Q983 WeakPolarHBondContact OD1-CG 3.19Å; Q983-N987 VanDerWaalsContact O-CB 3.24Å; Q983-N987 WeakPolarHBondContact O-CB 3.49Å; Q983-N987 PolarHBondContact O-N 2.98Å; Q983-N987 PolarHBondContact O-ND2 3.47Å; Q983-N987 VanDerWaalsContact O-ND2 3.1Å
984S64Low69.6Low85 Ų8560.3 Ų60.359%0.59430%0.298SS*.Hα-helixtrans-57.6-53.5174.949.80000111.1C982 C988C982-S984 PolarHBondContact O-N 2.82Å; C982-S984 VanDerWaalsContact O-N 3.12Å; S984-C988 WeakPolarHBondContact O-CB 3.32Å; S984-C988 PolarHBondContact O-N 3.01Å; S984-C988 PolarHBondContact O-SG 3.19Å
985I66.9Low69.2Low9 Ų960.5 Ų60.55%0.04630%0.3CS..Hα-helixtrans-67.5-42.6-179.6-49.8173.1000111.1L926 F950 V977 C982 C988 L989L926-I985 HydrophobicContact CD1-CD1 3.41Å; L926-I985 VanDerWaalsContact CD1-CD1 3.41Å; L926-I985 HydrophobicContact CD1-CG1 3.74Å; L926-I985 HydrophobicContact CD2-CD1 4.08Å; L926-I985 HydrophobicContact CD2-CG1 4.01Å; L926-I985 HydrophobicContact CG-CD1 4.36Å; F950-I985 HydrophobicContact CD1-CG2 4.22Å; F950-I985 HydrophobicContact CD2-CG2 4.29Å; F950-I985 HydrophobicContact CE1-CG2 4.02Å; F950-I985 HydrophobicContact CE2-CD1 4.47Å; F950-I985 HydrophobicContact CE2-CG2 4.1Å; F950-I985 HydrophobicContact CG-CG2 4.35Å; F950-I985 HydrophobicContact CZ-CD1 4.38Å; F950-I985 HydrophobicContact CZ-CG2 3.95Å; V977-I985 HydrophobicContact CG1-CB 4.05Å; V977-I985 HydrophobicContact CG1-CD1 4.5Å; V977-I985 HydrophobicContact CG1-CG2 3.84Å; C982-I985 HydrophobicContact CB-CB 4.23Å; C982-I985 HydrophobicContact CB-CD1 3.72Å; C982-I985 HydrophobicContact CB-CG1 4.06Å; C982-I985 PolarHBondContact O-N 3.12Å; I985-C988 WeakPolarHBondContact O-CB 3.46Å; I985-C988 PolarHBondContact O-N 3.39Å; I985-L989 HydrophobicContact CG2-CD1 4.03Å; I985-L989 HydrophobicContact CG2-CG 4.33Å; I985-L989 WeakPolarHBondContact O-CG 3.47Å; I985-L989 PolarHBondContact O-N 2.84Å
986V68.7Low69Low10 Ų1062 Ų626%0.06131%0.305CS..Hα-helixtrans-63.9-44.9-178.3173.20000111.3V977 W978 C982 C988 L989 K990V977-V986 HydrophobicContact CG1-CG2 3.95Å; W978-V986 HydrophobicContact CD2-CG2 4.24Å; W978-V986 HydrophobicContact CZ2-CG1 4.22Å; C982-V986 WeakPolarHBondContact O-CG2 3.41Å; C982-V986 PolarHBondContact O-N 2.82Å; V986-C988 PolarHBondContact O-N 3.16Å; V986-L989 PolarHBondContact O-N 3.26Å; V986-K990 HydrophobicContact CG1-CD 4.16Å; V986-K990 WeakPolarHBondContact O-CB 3.34Å; V986-K990 VanDerWaalsContact O-CG 3.28Å; V986-K990 WeakPolarHBondContact O-CG 3.38Å; V986-K990 PolarHBondContact O-N 2.79Å
987N67.8Low68.7Low82 Ų8262.9 Ų62.944%0.43931%0.314SS..Hα-helixtrans-63.7-34.9177.1-71.6-22.5000112.1Q983 R991Q983-N987 VanDerWaalsContact O-CB 3.24Å; Q983-N987 WeakPolarHBondContact O-CB 3.49Å; Q983-N987 PolarHBondContact O-N 2.98Å; Q983-N987 PolarHBondContact O-ND2 3.47Å; Q983-N987 VanDerWaalsContact O-ND2 3.1Å; N987-R991 WeakPolarHBondContact O-CG 3.48Å; N987-R991 PolarHBondContact O-N 3.28Å
988C64.5Low68.2Low27 Ų2764.1 Ų64.118%0.18232%0.321CS..Hα-helixtrans-72.8-41.9179-79.70000113T946 S984 I985 V986 R991T946-C988 HydrophobicContact CG2-CB 3.09Å; T946-C988 WeakPolarHBondContact CG2-SG 3.38Å; S984-C988 WeakPolarHBondContact O-CB 3.32Å; S984-C988 PolarHBondContact O-N 3.01Å; S984-C988 PolarHBondContact O-SG 3.19Å; I985-C988 WeakPolarHBondContact O-CB 3.46Å; I985-C988 PolarHBondContact O-N 3.39Å; V986-C988 PolarHBondContact O-N 3.16Å; C988-R991 PolarHBondContact O-N 3.13Å
989L67.1Low67.8Low8 Ų864 Ų644%0.04232%0.321CS..Hα-helixtrans-58.9-56.8168.2-73.4171.3000108.2F950 V954 L974 W978 I985 V986 R991 V992 I995F950-L989 HydrophobicContact CB-CD2 4.19Å; F950-L989 HydrophobicContact CD1-CD1 4.37Å; F950-L989 HydrophobicContact CD1-CD2 4.3Å; V954-L989 HydrophobicContact CG2-CD2 4.21Å; L974-L989 HydrophobicContact CD2-CD1 4.07Å; W978-L989 HydrophobicContact CH2-CB 4.09Å; W978-L989 HydrophobicContact CH2-CD1 3.54Å; W978-L989 HydrophobicContact CH2-CG 4.45Å; W978-L989 HydrophobicContact CZ3-CD1 3.46Å; W978-L989 VanDerWaalsContact CZ3-CD1 3.46Å; I985-L989 HydrophobicContact CG2-CD1 4.03Å; I985-L989 HydrophobicContact CG2-CG 4.33Å; I985-L989 WeakPolarHBondContact O-CG 3.47Å; I985-L989 PolarHBondContact O-N 2.84Å; V986-L989 PolarHBondContact O-N 3.26Å; L989-R991 PolarHBondContact O-N 3.48Å; L989-V992 PolarHBondContact O-N 3.34Å; L989-I995 HydrophobicContact CB-CD1 4.26Å; L989-I995 WeakPolarHBondContact O-CD1 3.24Å
990K69.6Low67.6Low76 Ų7660.5 Ų60.533%0.3330%0.304SS..Hα-helixtrans-48.5-22.4-178.9-74.2174.2-179.5-176.80116.5V986 E1025V986-K990 HydrophobicContact CG1-CD 4.16Å; V986-K990 WeakPolarHBondContact O-CB 3.34Å; V986-K990 VanDerWaalsContact O-CG 3.28Å; V986-K990 WeakPolarHBondContact O-CG 3.38Å; V986-K990 PolarHBondContact O-N 2.79Å; K990-E1025 VanDerWaalsContact CE-CD 3.49Å; K990-E1025 WeakPolarHBondContact CE-OE1 3.36Å; K990-E1025 WeakPolarHBondContact CE-OE2 3.38Å; K990-E1025 IonicContact NZ-OE1 3.55Å; K990-E1025 PolarHBondContact NZ-OE1 3.35Å; K990-E1025 IonicContact NZ-OE2 3.48Å; K990-E1025 PolarHBondContact NZ-OE2 3.44Å
991R63.5Low67.4Low172 Ų17256.9 Ų56.965%0.64929%0.293SS*.THydrogen-bonded Turntrans-78.1-14.8175-69.5172.6-176.6-171-1114.8N987 C988 L989N987-R991 WeakPolarHBondContact O-CG 3.48Å; N987-R991 PolarHBondContact O-N 3.28Å; C988-R991 PolarHBondContact O-N 3.13Å; L989-R991 PolarHBondContact O-N 3.48Å
992V64.5Low67.3Low43 Ų4352.1 Ų52.126%0.26127%0.268SS..SBendtrans-78.2129.8177.5-175.40000109.8V954 L989 I995V954-V992 HydrophobicContact CG1-CG1 4.38Å; L989-V992 PolarHBondContact O-N 3.34Å; V992-I995 HydrophobicContact CB-CD1 3.46Å; V992-I995 VanDerWaalsContact CB-CD1 3.46Å; V992-I995 HydrophobicContact CB-CG1 3.86Å; V992-I995 HydrophobicContact CG1-CD1 4.38Å; V992-I995 HydrophobicContact CG1-CG1 4.27Å; V992-I995 HydrophobicContact CG2-CD1 4.12Å; V992-I995 WeakPolarHBondContact O-CD1 3.13Å; V992-I995 WeakPolarHBondContact O-CG1 3.45Å
993E62Low67.3Low165 Ų16551.7 Ų51.777%0.77127%0.265SS*.THydrogen-bonded Turntrans-60.6142.2-179.8-62.7-178.5177.100111.6I995E993-I995 VanDerWaalsContact C-N 3.3Å; E993-I995 PolarHBondContact O-N 3.29Å
994N64.7Low67.2Low108 Ų10848.7 Ų48.758%0.57826%0.257SS*.THydrogen-bonded Turntrans61.918.8175.9-59.6-36.1000117.3W996 P997 I998N994-W996 PolarHBondContact O-N 3.34Å; N994-P997 VanDerWaalsContact O-CD 3.28Å; N994-P997 WeakPolarHBondContact O-CD 3.48Å; N994-I998 HydrophobicContact CB-CD1 4.37Å; N994-I998 WeakPolarHBondContact O-CD1 3.03Å; N994-I998 VanDerWaalsContact O-CG1 3.22Å; N994-I998 WeakPolarHBondContact O-CG1 3.1Å; N994-I998 PolarHBondContact O-N 3.21Å
995I69.5Low67.1Low13 Ų1345.3 Ų45.37%0.06723%0.234CC..Hα-helixtrans-55.4-46.9176.8-81.2167.8000113.6L989 V992 E993 I998 L999L989-I995 HydrophobicContact CB-CD1 4.26Å; L989-I995 WeakPolarHBondContact O-CD1 3.24Å; V992-I995 HydrophobicContact CB-CD1 3.46Å; V992-I995 VanDerWaalsContact CB-CD1 3.46Å; V992-I995 HydrophobicContact CB-CG1 3.86Å; V992-I995 HydrophobicContact CG1-CD1 4.38Å; V992-I995 HydrophobicContact CG1-CG1 4.27Å; V992-I995 HydrophobicContact CG2-CD1 4.12Å; V992-I995 WeakPolarHBondContact O-CD1 3.13Å; V992-I995 WeakPolarHBondContact O-CG1 3.45Å; E993-I995 VanDerWaalsContact C-N 3.3Å; E993-I995 PolarHBondContact O-N 3.29Å; I995-I998 WeakPolarHBondContact O-CA 3.2Å; I995-I998 WeakPolarHBondContact O-CB 3.31Å; I995-I998 PolarHBondContact O-N 3.45Å; I995-L999 HydrophobicContact CG2-CD1 3.28Å; I995-L999 HydrophobicContact CG2-CG 3.7Å; I995-L999 WeakPolarHBondContact O-CG 3.47Å; I995-L999 PolarHBondContact O-N 3.05Å
996W74.7Confident66.8Low37 Ų3750.8 Ų50.814%0.1426%0.264CS..Hα-helixtrans-61.4-46.1-172.6-62.6114.5000112.9N994 I998 L999 C1000 E1025 L1036 L1039N994-W996 PolarHBondContact O-N 3.34Å; W996-I998 VanDerWaalsContact C-N 3.27Å; W996-I998 PolarHBondContact O-N 2.68Å; W996-L999 HydrophobicContact CE3-CD1 4.44Å; W996-L999 HydrophobicContact CZ3-CD1 4.46Å; W996-L999 PolarHBondContact O-N 3.33Å; W996-C1000 WeakPolarHBondContact O-CB 3.43Å; W996-C1000 PolarHBondContact O-N 3.38Å; W996-C1000 PolarHBondContact O-SG 3.41Å; W996-E1025 HydrophobicContact CH2-CG 3.84Å; W996-L1036 HydrophobicContact CD2-CB 4.09Å; W996-L1036 HydrophobicContact CD2-CD1 3.91Å; W996-L1036 HydrophobicContact CD2-CD2 4.18Å; W996-L1036 HydrophobicContact CD2-CG 4.28Å; W996-L1036 HydrophobicContact CE3-CD1 3.64Å; W996-L1036 HydrophobicContact CE3-CD2 4.22Å; W996-L1036 HydrophobicContact CE3-CG 4.39Å; W996-L1036 HydrophobicContact CG-CB 4.03Å; W996-L1036 HydrophobicContact CG-CD1 4.35Å; W996-L1036 HydrophobicContact CH2-CD2 3.99Å; W996-L1036 HydrophobicContact CZ2-CD2 3.91Å; W996-L1036 HydrophobicContact CZ3-CD1 4.1Å; W996-L1036 HydrophobicContact CZ3-CD2 4.13Å; W996-L1039 HydrophobicContact CB-CD1 3.87Å
997P70.8Confident66.2Low54 Ų5456.4 Ų56.435%0.35129%0.289SS..Hα-helixtrans-55-38.6169.4-27.431.5000114.4N994 A1001 L1039N994-P997 VanDerWaalsContact O-CD 3.28Å; N994-P997 WeakPolarHBondContact O-CD 3.48Å; P997-A1001 PolarHBondContact O-N 3.35Å; P997-A1001 VanDerWaalsContact O-N 3.09Å; P997-L1039 HydrophobicContact CG-CD1 4.18Å
998I67.3Low65.4Low26 Ų2661.8 Ų61.813%0.13331%0.309CS..Hα-helixtrans-71.6-47.2-178.1-62.8161.2000110.7V954 V957 Q958 N994 I995 W996 C1000 A1001V954-I998 HydrophobicContact CG1-CD1 4.34Å; V957-I998 HydrophobicContact CB-CG2 3.94Å; V957-I998 HydrophobicContact CG1-CG2 3.45Å; V957-I998 VanDerWaalsContact CG1-CG2 3.45Å; Q958-I998 HydrophobicContact CG-CD1 3.84Å; Q958-I998 HydrophobicContact CG-CG1 4.2Å; Q958-I998 HydrophobicContact CG-CG2 4.32Å; N994-I998 HydrophobicContact CB-CD1 4.37Å; N994-I998 WeakPolarHBondContact O-CD1 3.03Å; N994-I998 VanDerWaalsContact O-CG1 3.22Å; N994-I998 WeakPolarHBondContact O-CG1 3.1Å; N994-I998 PolarHBondContact O-N 3.21Å; I995-I998 WeakPolarHBondContact O-CA 3.2Å; I995-I998 WeakPolarHBondContact O-CB 3.31Å; I995-I998 PolarHBondContact O-N 3.45Å; W996-I998 VanDerWaalsContact C-N 3.27Å; W996-I998 PolarHBondContact O-N 2.68Å; I998-C1000 VanDerWaalsContact C-N 3.34Å; I998-C1000 PolarHBondContact O-N 2.98Å; I998-A1001 VanDerWaalsContact O-CB 3.24Å; I998-A1001 WeakPolarHBondContact O-CB 3.48Å; I998-A1001 PolarHBondContact O-N 3.44Å
999L71.2Confident65.1Low12 Ų1262.2 Ų62.26%0.06331%0.313CS..Hα-helixtrans-67.5-33.9177.5-67.4179.7000112.7L974 W978 I995 W996 A1001 P1002 V1018L974-L999 HydrophobicContact CD1-CD2 3.59Å; W978-L999 HydrophobicContact CH2-CD1 4.37Å; I995-L999 HydrophobicContact CG2-CD1 3.28Å; I995-L999 HydrophobicContact CG2-CG 3.7Å; I995-L999 WeakPolarHBondContact O-CG 3.47Å; I995-L999 PolarHBondContact O-N 3.05Å; W996-L999 HydrophobicContact CE3-CD1 4.44Å; W996-L999 HydrophobicContact CZ3-CD1 4.46Å; W996-L999 PolarHBondContact O-N 3.33Å; L999-A1001 VanDerWaalsContact C-N 3.32Å; L999-P1002 VanDerWaalsContact O-CD 3.28Å; L999-P1002 WeakPolarHBondContact O-CD 3.35Å; L999-V1018 WeakPolarHBondContact O-CG2 3.29Å
1000C69.5Low65Low4 Ų462.1 Ų62.13%0.02731%0.312CS..THydrogen-bonded Turntrans-85.9-0.9178.5-61.30000113.1W996 I998 P1002 L1003 S1004 L1039W996-C1000 WeakPolarHBondContact O-CB 3.43Å; W996-C1000 PolarHBondContact O-N 3.38Å; W996-C1000 PolarHBondContact O-SG 3.41Å; I998-C1000 VanDerWaalsContact C-N 3.34Å; I998-C1000 PolarHBondContact O-N 2.98Å; C1000-P1002 VanDerWaalsContact C-N 3.32Å; C1000-L1003 WeakPolarHBondContact O-CA 3.33Å; C1000-L1003 WeakPolarHBondContact O-CB 3.21Å; C1000-L1003 PolarHBondContact O-N 3.33Å; C1000-S1004 PolarHBondContact O-N 3.03Å; C1000-L1039 HydrophobicContact CB-CD1 4.36Å
1001A68.3Low64.9Low26 Ų2663.9 Ų63.922%0.21532%0.32CS..Hα-helixtrans-52.4-39.6177.900000114.2P997 I998 L999 L1003 S1004 A1005P997-A1001 PolarHBondContact O-N 3.35Å; P997-A1001 VanDerWaalsContact O-N 3.09Å; I998-A1001 VanDerWaalsContact O-CB 3.24Å; I998-A1001 WeakPolarHBondContact O-CB 3.48Å; I998-A1001 PolarHBondContact O-N 3.44Å; L999-A1001 VanDerWaalsContact C-N 3.32Å; A1001-L1003 PolarHBondContact O-N 3.28Å; A1001-S1004 VanDerWaalsContact CA-OG 3.31Å; A1001-S1004 WeakPolarHBondContact CA-OG 3.38Å; A1001-S1004 PolarHBondContact O-N 3.41Å; A1001-S1004 VanDerWaalsContact O-N 3.1Å; A1001-S1004 PolarHBondContact O-OG 3.11Å; A1001-S1004 VanDerWaalsContact O-OG 3.07Å; A1001-A1005 PolarHBondContact O-N 3.3Å
1002P65.4Low65Low4 Ų456 Ų563%0.02629%0.29CS..Hα-helixtrans-65.3-27.9176.4-21.735.1000113.3L999 C1000 F1010 V1018L999-P1002 VanDerWaalsContact O-CD 3.28Å; L999-P1002 WeakPolarHBondContact O-CD 3.35Å; C1000-P1002 VanDerWaalsContact C-N 3.32Å; P1002-F1010 WeakPolarHBondContact O-CD2 3.41Å; P1002-V1018 HydrophobicContact CB-CG2 4.3Å; P1002-V1018 HydrophobicContact CG-CG2 4.09Å
1003L66.6Low65.2Low3 Ų357.6 Ų57.62%0.01630%0.297CS..Hα-helixtrans-83.8-24.2174.9-59.1178000111.9C1000 A1001 F1010 A1015 V1018 W1019 L1022 L1043 R1048C1000-L1003 WeakPolarHBondContact O-CA 3.33Å; C1000-L1003 WeakPolarHBondContact O-CB 3.21Å; C1000-L1003 PolarHBondContact O-N 3.33Å; A1001-L1003 PolarHBondContact O-N 3.28Å; L1003-F1010 HydrophobicContact CD2-CE2 4.19Å; L1003-A1015 HydrophobicContact CD2-CB 3.62Å; L1003-V1018 HydrophobicContact CD1-CB 4.11Å; L1003-V1018 HydrophobicContact CD1-CG1 3.43Å; L1003-V1018 VanDerWaalsContact CD1-CG1 3.43Å; L1003-V1018 HydrophobicContact CG-CB 4.21Å; L1003-V1018 HydrophobicContact CG-CG1 3.89Å; L1003-W1019 HydrophobicContact CD2-CZ2 4.46Å; L1003-L1022 HydrophobicContact CD1-CD1 3.91Å; L1003-L1043 HydrophobicContact CB-CD1 4.46Å; L1003-L1043 HydrophobicContact CB-CD2 3.61Å; L1003-L1043 HydrophobicContact CD1-CD1 3.94Å; L1003-L1043 HydrophobicContact CD1-CD2 4.35Å; L1003-R1048 VanDerWaalsContact O-CZ 3.25Å; L1003-R1048 PolarHBondContact O-NE 3.11Å; L1003-R1048 PolarHBondContact O-NH2 3.19Å
1004S64Low65.5Low58 Ų5850.4 Ų50.441%0.40626%0.264SS..Hα-helixtrans-86.4-4.4179.776.70000114.4C1000 A1001 R1048C1000-S1004 PolarHBondContact O-N 3.03Å; A1001-S1004 VanDerWaalsContact CA-OG 3.31Å; A1001-S1004 WeakPolarHBondContact CA-OG 3.38Å; A1001-S1004 PolarHBondContact O-N 3.41Å; A1001-S1004 VanDerWaalsContact O-N 3.1Å; A1001-S1004 PolarHBondContact O-OG 3.11Å; A1001-S1004 VanDerWaalsContact O-OG 3.07Å; S1004-R1048 VanDerWaalsContact CA-CZ 3.49Å; S1004-R1048 PolarHBondContact O-NH2 3.41Å
1005A63.2Low65.9Low14 Ų1445.3 Ų45.312%0.11624%0.237CC..  trans-62.8151.6179.400000115I962 A1001 R1048I962-A1005 HydrophobicContact CD1-CB 4.46Å; A1001-A1005 PolarHBondContact O-N 3.3Å; A1005-R1048 PolarHBondContact O-NH2 2.94Å
1006D60Low66.1Low125 Ų12544.7 Ų44.767%0.66823%0.234SC*.  trans-66.5165.5178.1-65.3-34.9000113.2F1008 S1009 F1010D1006-F1008 PolarHBondContact O-N 3.16Å; D1006-S1009 PolarHBondContact N-OG 3.16Å; D1006-S1009 VanDerWaalsContact N-OG 3.17Å; D1006-S1009 PolarHBondContact O-N 3.04Å; D1006-S1009 PolarHBondContact O-OG 3.24Å; D1006-F1010 PolarHBondContact O-N 3.27Å; D1006-F1010 VanDerWaalsContact O-N 3.13Å
1007E55.2Low66Low128 Ų12843.2 Ų43.260%0.59823%0.229SC*.THydrogen-bonded Turntrans-52.7-31.2-176.2-55.6-156.6143.400113.8L1051 K1055E1007-L1051 HydrophobicContact CB-CD1 4.03Å; E1007-L1051 VanDerWaalsContact CD-CD1 3.45Å; E1007-L1051 HydrophobicContact CG-CD1 3.39Å; E1007-L1051 WeakPolarHBondContact OE1-CD1 3.41Å; E1007-K1055 WeakPolarHBondContact O-CE 3.37Å; E1007-K1055 PolarHBondContact O-NZ 3.36Å
1008F52Low66.4Low195 Ų19540.8 Ų40.886%0.85521%0.213SC*.THydrogen-bonded Turntrans-87-25-178.5-66.3-78.5000113.8D1006D1006-F1008 PolarHBondContact O-N 3.16Å
1009S59.1Low66.9Low36 Ų3639.9 Ų39.925%0.25221%0.208SC..THydrogen-bonded Turntrans-100.6-11.9-173.648.40000113.9D1006 F1011D1006-S1009 PolarHBondContact N-OG 3.16Å; D1006-S1009 VanDerWaalsContact N-OG 3.17Å; D1006-S1009 PolarHBondContact O-N 3.04Å; D1006-S1009 PolarHBondContact O-OG 3.24Å; S1009-F1011 WeakPolarHBondContact O-CD2 3.3Å; S1009-F1011 PolarHBondContact O-N 3.15Å
1010F64.7Low67.3Low5 Ų540 Ų402%0.02221%0.209CC..  trans-70.5112.1176-177.6-97.3000112.5P1002 L1003 D1006 P1012 A1015 W1019 I1052 K1055P1002-F1010 WeakPolarHBondContact O-CD2 3.41Å; L1003-F1010 HydrophobicContact CD2-CE2 4.19Å; D1006-F1010 PolarHBondContact O-N 3.27Å; D1006-F1010 VanDerWaalsContact O-N 3.13Å; F1010-P1012 HydrophobicContact CD1-CG 4.16Å; F1010-P1012 HydrophobicContact CE1-CB 4.3Å; F1010-P1012 HydrophobicContact CE1-CG 3.72Å; F1010-A1015 HydrophobicContact CE2-CB 3.84Å; F1010-A1015 HydrophobicContact CZ-CB 3.93Å; F1010-W1019 HydrophobicContact CZ-CZ2 4.27Å; F1010-I1052 HydrophobicContact CE1-CG1 4.25Å; F1010-I1052 HydrophobicContact CE1-CG2 4.37Å; F1010-I1052 HydrophobicContact CE2-CG1 4.27Å; F1010-I1052 HydrophobicContact CZ-CB 4.41Å; F1010-I1052 HydrophobicContact CZ-CG1 3.89Å; F1010-I1052 HydrophobicContact CZ-CG2 4.03Å; F1010-K1055 HydrophobicContact CD1-CD 3.99Å; F1010-K1055 PolarHBondContact O-NZ 2.95Å
1011F66.3Low67.7Low114 Ų11440 Ų4050%0.521%0.208SC..  trans-109.3117.8168.6-72.5-89.2000110.2S1009 L1013 L1014 A1015S1009-F1011 WeakPolarHBondContact O-CD2 3.3Å; S1009-F1011 PolarHBondContact O-N 3.15Å; F1011-L1013 PolarHBondContact O-N 3.3Å; F1011-L1013 VanDerWaalsContact O-N 3.07Å; F1011-L1014 HydrophobicContact CB-CD1 4.05Å; F1011-L1014 HydrophobicContact CB-CG 4.39Å; F1011-L1014 HydrophobicContact CD2-CD1 4.45Å; F1011-L1014 WeakPolarHBondContact O-CB 3.37Å; F1011-L1014 PolarHBondContact O-N 3.11Å; F1011-A1015 PolarHBondContact O-N 3.41Å
1012P66.4Low68Low5 Ų538.8 Ų38.83%0.03220%0.198CC..Hα-helixtrans-58.9-23.8-177.9-25.232.2000115F1010 A1015 A1016 I1056 M1059 V1072F1010-P1012 HydrophobicContact CD1-CG 4.16Å; F1010-P1012 HydrophobicContact CE1-CB 4.3Å; F1010-P1012 HydrophobicContact CE1-CG 3.72Å; P1012-A1015 PolarHBondContact O-N 3.28Å; P1012-A1016 PolarHBondContact O-N 2.95Å; P1012-I1056 HydrophobicContact CB-CG1 4.4Å; P1012-M1059 HydrophobicContact CB-CE 4.21Å; P1012-M1059 HydrophobicContact CB-SD 3.38Å; P1012-M1059 WeakPolarHBondContact CB-SD 3.4Å; P1012-M1059 WeakPolarHBondContact CD-SD 3.33Å; P1012-M1059 HydrophobicContact CG-CG 4.22Å; P1012-M1059 HydrophobicContact CG-SD 3.19Å; P1012-M1059 WeakPolarHBondContact CG-SD 3.46Å; P1012-V1072 HydrophobicContact CB-CG1 3.82Å
1013L68.2Low68.4Low77 Ų7739 Ų3940%0.40320%0.201SC..Hα-helixtrans-66-37.8174.6-155.293.5000112.4F1011 A1015 P1017 D1068 V1072F1011-L1013 PolarHBondContact O-N 3.3Å; F1011-L1013 VanDerWaalsContact O-N 3.07Å; L1013-A1015 VanDerWaalsContact C-N 3.3Å; L1013-P1017 WeakPolarHBondContact O-CD 3.36Å; L1013-D1068 HydrophobicContact CD1-CB 3.64Å; L1013-V1072 HydrophobicContact CD1-CG2 4.32Å
1014L68.8Low68.7Low15 Ų1541 Ų418%0.07921%0.214CC..Hα-helixtrans-72.7-24.6175.2-74.8168.2000112.4I962 T968 F1011I962-L1014 HydrophobicContact CG2-CD1 4.16Å; I962-L1014 WeakPolarHBondContact O-CD1 3.49Å; T968-L1014 HydrophobicContact CG2-CD2 3.39Å; T968-L1014 HydrophobicContact CG2-CG 4.44Å; F1011-L1014 HydrophobicContact CB-CD1 4.05Å; F1011-L1014 HydrophobicContact CB-CG 4.39Å; F1011-L1014 HydrophobicContact CD2-CD1 4.45Å; F1011-L1014 WeakPolarHBondContact O-CB 3.37Å; F1011-L1014 PolarHBondContact O-N 3.11Å
1015A72.8Confident69.2Low0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-82.3-25.4-18000000113.5L1003 F1010 F1011 P1012 L1013 V1018 W1019L1003-A1015 HydrophobicContact CD2-CB 3.62Å; F1010-A1015 HydrophobicContact CE2-CB 3.84Å; F1010-A1015 HydrophobicContact CZ-CB 3.93Å; F1011-A1015 PolarHBondContact O-N 3.41Å; P1012-A1015 PolarHBondContact O-N 3.28Å; L1013-A1015 VanDerWaalsContact C-N 3.3Å; A1015-V1018 WeakPolarHBondContact O-CB 3.47Å; A1015-V1018 PolarHBondContact O-N 3.02Å; A1015-V1018 VanDerWaalsContact O-N 3.09Å; A1015-W1019 HydrophobicContact CB-CH2 4.21Å; A1015-W1019 HydrophobicContact CB-CZ2 3.96Å; A1015-W1019 PolarHBondContact O-N 3.02Å; A1015-W1019 VanDerWaalsContact O-N 3.09Å
1016A73.2Confident69.5Low1 Ų139.2 Ų39.21%0.00820%0.197CC..Hα-helixtrans-57.7-45.2-176.500000114.2P1012 V1018 W1019 N1020 V1072 A1075P1012-A1016 PolarHBondContact O-N 2.95Å; A1016-V1018 VanDerWaalsContact C-N 3.27Å; A1016-V1018 PolarHBondContact O-N 3.46Å; A1016-W1019 PolarHBondContact O-N 2.77Å; A1016-N1020 PolarHBondContact O-N 3.25Å; A1016-V1072 HydrophobicContact CB-CG2 4.25Å; A1016-A1075 HydrophobicContact CB-CB 4Å; A1016-A1075 WeakPolarHBondContact O-CB 3.46Å
1017P73.2Confident69.8Low5 Ų536.7 Ų36.73%0.03219%0.189CC..Hα-helixtrans-59.5-37.3174.5-2434.6000112.8M971 E975 L1013 N1020 I1021M971-P1017 HydrophobicContact CB-CB 4Å; M971-P1017 HydrophobicContact CB-CG 4.16Å; M971-P1017 HydrophobicContact CE-CB 4.44Å; E975-P1017 HydrophobicContact CB-CB 4.02Å; E975-P1017 HydrophobicContact CG-CB 4.49Å; L1013-P1017 WeakPolarHBondContact O-CD 3.36Å; P1017-N1020 PolarHBondContact O-N 3.1Å; P1017-I1021 VanDerWaalsContact O-CG1 3.29Å; P1017-I1021 WeakPolarHBondContact O-CG1 3.43Å; P1017-I1021 PolarHBondContact O-N 3.07Å
1018V78.5Confident70.1Confident3 Ų333.3 Ų33.32%0.01818%0.179CC..Hα-helixtrans-66.4-42.6-180-170.30000110.9M971 L999 P1002 L1003 A1015 A1016 N1020 I1021 L1022M971-V1018 HydrophobicContact CE-CG2 3.47Å; M971-V1018 VanDerWaalsContact CE-CG2 3.47Å; L999-V1018 WeakPolarHBondContact O-CG2 3.29Å; P1002-V1018 HydrophobicContact CB-CG2 4.3Å; P1002-V1018 HydrophobicContact CG-CG2 4.09Å; L1003-V1018 HydrophobicContact CD1-CB 4.11Å; L1003-V1018 HydrophobicContact CD1-CG1 3.43Å; L1003-V1018 VanDerWaalsContact CD1-CG1 3.43Å; L1003-V1018 HydrophobicContact CG-CB 4.21Å; L1003-V1018 HydrophobicContact CG-CG1 3.89Å; A1015-V1018 WeakPolarHBondContact O-CB 3.47Å; A1015-V1018 PolarHBondContact O-N 3.02Å; A1015-V1018 VanDerWaalsContact O-N 3.09Å; A1016-V1018 VanDerWaalsContact C-N 3.27Å; A1016-V1018 PolarHBondContact O-N 3.46Å; V1018-N1020 VanDerWaalsContact C-N 3.31Å; V1018-N1020 PolarHBondContact O-N 3.42Å; V1018-I1021 PolarHBondContact O-N 3.01Å; V1018-L1022 HydrophobicContact CG1-CD1 4.22Å; V1018-L1022 HydrophobicContact CG1-CG 4.45Å; V1018-L1022 WeakPolarHBondContact O-CG 3.23Å; V1018-L1022 PolarHBondContact O-N 3.23Å
1019W79.2Confident70.3Confident7 Ų727 Ų273%0.02717%0.17CC..Hα-helixtrans-61.4-39.1177.3-68.3-29.9000112.6L1003 F1010 A1015 A1016 L1022 A1023 I1052 I1056 V1072 A1075 F1076 F1079L1003-W1019 HydrophobicContact CD2-CZ2 4.46Å; F1010-W1019 HydrophobicContact CZ-CZ2 4.27Å; A1015-W1019 HydrophobicContact CB-CH2 4.21Å; A1015-W1019 HydrophobicContact CB-CZ2 3.96Å; A1015-W1019 PolarHBondContact O-N 3.02Å; A1015-W1019 VanDerWaalsContact O-N 3.09Å; A1016-W1019 PolarHBondContact O-N 2.77Å; W1019-L1022 PolarHBondContact O-N 3.14Å; W1019-A1023 WeakPolarHBondContact O-CB 3.25Å; W1019-A1023 PolarHBondContact O-N 2.89Å; W1019-I1052 HydrophobicContact CH2-CG2 4.39Å; W1019-I1052 HydrophobicContact CZ2-CG2 3.82Å; W1019-I1056 HydrophobicContact CH2-CD1 3.47Å; W1019-I1056 VanDerWaalsContact CH2-CD1 3.47Å; W1019-I1056 HydrophobicContact CH2-CG1 4Å; W1019-I1056 HydrophobicContact CZ2-CD1 4.11Å; W1019-I1056 HydrophobicContact CZ3-CD1 4.2Å; W1019-V1072 HydrophobicContact CH2-CG1 4.23Å; W1019-V1072 HydrophobicContact CZ3-CG1 3.72Å; W1019-A1075 HydrophobicContact CB-CB 4.22Å; W1019-A1075 HydrophobicContact CE3-CB 4.11Å; W1019-F1076 HydrophobicContact CD2-CB 4.45Å; W1019-F1076 HydrophobicContact CD2-CD2 4.07Å; W1019-F1076 AromaticContact CE2-CD2 3.9Å; W1019-F1076 HydrophobicContact CE3-CB 3.77Å; W1019-F1076 HydrophobicContact CE3-CD2 4.1Å; W1019-F1076 HydrophobicContact CE3-CG 4.45Å; W1019-F1076 HydrophobicContact CH2-CB 4.44Å; W1019-F1076 AromaticContact CH2-CD2 3.95Å; W1019-F1076 HydrophobicContact CH2-CD2 3.95Å; W1019-F1076 AromaticContact CZ2-CD2 3.86Å; W1019-F1076 HydrophobicContact CZ2-CD2 3.86Å; W1019-F1076 HydrophobicContact CZ2-CE2 4.41Å; W1019-F1076 HydrophobicContact CZ3-CB 3.76Å; W1019-F1076 HydrophobicContact CZ3-CD2 4.04Å; W1019-F1076 HydrophobicContact CZ3-CG 4.3Å; W1019-F1079 HydrophobicContact CB-CB 3.99Å; W1019-F1079 HydrophobicContact CG-CB 4.43Å
1020N79.1Confident70.3Confident15 Ų1531.2 Ų31.28%0.0819%0.189CC..Hα-helixtrans-67.4-42.6176.1-74.2-19.4000112.3E975 M979 A1016 P1017 V1018 L1022 A1023 C1024 A1075E975-N1020 HydrophobicContact CG-CB 4.16Å; E975-N1020 PolarHBondContact OE1-ND2 3.17Å; M979-N1020 HydrophobicContact CE-CB 3.63Å; M979-N1020 WeakPolarHBondContact CE-ND2 3.48Å; A1016-N1020 PolarHBondContact O-N 3.25Å; P1017-N1020 PolarHBondContact O-N 3.1Å; V1018-N1020 VanDerWaalsContact C-N 3.31Å; V1018-N1020 PolarHBondContact O-N 3.42Å; N1020-L1022 VanDerWaalsContact C-N 3.32Å; N1020-L1022 PolarHBondContact O-N 3.41Å; N1020-A1023 PolarHBondContact O-N 3.36Å; N1020-C1024 PolarHBondContact O-N 3.28Å; N1020-C1024 PolarHBondContact O-SG 3.01Å; N1020-C1024 VanDerWaalsContact O-SG 3.35Å; N1020-A1075 VanDerWaalsContact OD1-CA 3.24Å; N1020-A1075 WeakPolarHBondContact OD1-CA 3.31Å; N1020-A1075 VanDerWaalsContact OD1-CB 3.31Å; N1020-A1075 WeakPolarHBondContact OD1-CB 3.5Å
1021I76.9Confident70Confident3 Ų339.5 Ų39.52%0.01523%0.225CC..Hα-helixtrans-58.3-46.2174.3-67.6164.3000110.4M971 L974 W978 P1017 V1018 C1024 E1025M971-I1021 HydrophobicContact CE-CD1 4.2Å; L974-I1021 HydrophobicContact CB-CD1 4.02Å; W978-I1021 HydrophobicContact CB-CG1 4.29Å; W978-I1021 HydrophobicContact CD2-CG1 4.5Å; W978-I1021 HydrophobicContact CD2-CG2 3.92Å; W978-I1021 HydrophobicContact CG-CB 4.5Å; W978-I1021 HydrophobicContact CG-CG1 4.38Å; W978-I1021 HydrophobicContact CG-CG2 3.95Å; P1017-I1021 VanDerWaalsContact O-CG1 3.29Å; P1017-I1021 WeakPolarHBondContact O-CG1 3.43Å; P1017-I1021 PolarHBondContact O-N 3.07Å; V1018-I1021 PolarHBondContact O-N 3.01Å; I1021-C1024 PolarHBondContact O-N 3.47Å; I1021-E1025 PolarHBondContact O-N 3.23Å; I1021-E1025 VanDerWaalsContact O-N 3.13Å
1022L76Confident69.7Low2 Ų236.1 Ų36.11%0.0121%0.212CC..Hα-helixtrans-62.9-43.9176.9-69.9174.1000111.6L1003 V1018 W1019 N1020 C1024 E1025 L1026 L1036 L1040 F1079L1003-L1022 HydrophobicContact CD1-CD1 3.91Å; V1018-L1022 HydrophobicContact CG1-CD1 4.22Å; V1018-L1022 HydrophobicContact CG1-CG 4.45Å; V1018-L1022 WeakPolarHBondContact O-CG 3.23Å; V1018-L1022 PolarHBondContact O-N 3.23Å; W1019-L1022 PolarHBondContact O-N 3.14Å; N1020-L1022 VanDerWaalsContact C-N 3.32Å; N1020-L1022 PolarHBondContact O-N 3.41Å; L1022-C1024 PolarHBondContact O-N 3.5Å; L1022-E1025 PolarHBondContact O-N 3.02Å; L1022-L1026 WeakPolarHBondContact O-CB 3.46Å; L1022-L1026 WeakPolarHBondContact O-CG 3.29Å; L1022-L1026 PolarHBondContact O-N 3.09Å; L1022-L1036 HydrophobicContact CD2-CD1 3.77Å; L1022-L1040 HydrophobicContact CD1-CD2 4.38Å; L1022-L1040 HydrophobicContact CD2-CD2 4.36Å; L1022-F1079 HydrophobicContact CB-CD2 3.82Å; L1022-F1079 HydrophobicContact CB-CE2 3.97Å; L1022-F1079 HydrophobicContact CD1-CD2 4.34Å; L1022-F1079 HydrophobicContact CD1-CE2 3.97Å
1023A73.3Confident69.2Low9 Ų943.1 Ų43.17%0.07424%0.244CC..Hα-helixtrans-58.7-46.5177.200000112W1019 N1020 E1025 L1026 C1027 D1078 A1082W1019-A1023 WeakPolarHBondContact O-CB 3.25Å; W1019-A1023 PolarHBondContact O-N 2.89Å; N1020-A1023 PolarHBondContact O-N 3.36Å; A1023-E1025 VanDerWaalsContact C-N 3.35Å; A1023-E1025 PolarHBondContact O-N 3.46Å; A1023-L1026 PolarHBondContact O-N 3.34Å; A1023-C1027 PolarHBondContact O-N 3.49Å; A1023-C1027 PolarHBondContact O-SG 3.04Å; A1023-D1078 HydrophobicContact CB-CB 4.43Å; A1023-A1082 HydrophobicContact CB-CB 4.07Å
1024C73.9Confident69.1Low45 Ų4542 Ų4230%0.30425%0.251SS..Hα-helixtrans-60.6-40.8177.3-69.20000112.7W978 N1020 I1021 L1022 C1027 S1028W978-C1024 HydrophobicContact CB-CB 4.35Å; N1020-C1024 PolarHBondContact O-N 3.28Å; N1020-C1024 PolarHBondContact O-SG 3.01Å; N1020-C1024 VanDerWaalsContact O-SG 3.35Å; I1021-C1024 PolarHBondContact O-N 3.47Å; L1022-C1024 PolarHBondContact O-N 3.5Å; C1024-C1027 PolarHBondContact O-N 3.06Å; C1024-S1028 PolarHBondContact O-N 2.9Å
1025E73.8Confident68.8Low25 Ų2544.5 Ų44.512%0.11727%0.267CS..Hα-helixtrans-68.1-42.2177.5-76.8-73.1151.800112.6W978 K990 W996 I1021 L1022 A1023 C1027 S1028W978-E1025 PolarHBondContact NE1-OE1 3.12Å; K990-E1025 VanDerWaalsContact CE-CD 3.49Å; K990-E1025 WeakPolarHBondContact CE-OE1 3.36Å; K990-E1025 WeakPolarHBondContact CE-OE2 3.38Å; K990-E1025 IonicContact NZ-OE1 3.55Å; K990-E1025 PolarHBondContact NZ-OE1 3.35Å; K990-E1025 IonicContact NZ-OE2 3.48Å; K990-E1025 PolarHBondContact NZ-OE2 3.44Å; W996-E1025 HydrophobicContact CH2-CG 3.84Å; I1021-E1025 PolarHBondContact O-N 3.23Å; I1021-E1025 VanDerWaalsContact O-N 3.13Å; L1022-E1025 PolarHBondContact O-N 3.02Å; A1023-E1025 VanDerWaalsContact C-N 3.35Å; A1023-E1025 PolarHBondContact O-N 3.46Å; E1025-C1027 VanDerWaalsContact C-N 3.29Å; E1025-C1027 PolarHBondContact O-N 3.25Å; E1025-S1028 WeakPolarHBondContact O-CB 3.4Å; E1025-S1028 PolarHBondContact O-N 3.46Å; E1025-S1028 VanDerWaalsContact O-N 3.15Å; E1025-S1028 PolarHBondContact O-OG 3.37Å
1026L70Confident68.7Low9 Ų945.1 Ų45.15%0.04727%0.27CS..Hα-helixtrans-60.5-38.9175.9-68.6173.1000111.8L1022 A1023 S1028 I1032 L1040 F1079 A1082L1022-L1026 WeakPolarHBondContact O-CB 3.46Å; L1022-L1026 WeakPolarHBondContact O-CG 3.29Å; L1022-L1026 PolarHBondContact O-N 3.09Å; A1023-L1026 PolarHBondContact O-N 3.34Å; L1026-S1028 VanDerWaalsContact C-N 3.31Å; L1026-S1028 PolarHBondContact O-N 2.98Å; L1026-I1032 HydrophobicContact CD2-CD1 3.27Å; L1026-I1032 HydrophobicContact CD2-CG1 4.5Å; L1026-L1040 HydrophobicContact CD2-CD1 4.45Å; L1026-F1079 HydrophobicContact CD1-CD2 4.23Å; L1026-F1079 HydrophobicContact CD1-CE2 4.12Å; L1026-A1082 HydrophobicContact CB-CB 3.95Å; L1026-A1082 HydrophobicContact CD1-CB 4.18Å
1027C64.9Low68.6Low72 Ų7249 Ų4949%0.48629%0.287SS..Hα-helixtrans-73.1-17.1177.1-68.90000114.2A1023 C1024 E1025 G1029A1023-C1027 PolarHBondContact O-N 3.49Å; A1023-C1027 PolarHBondContact O-SG 3.04Å; C1024-C1027 PolarHBondContact O-N 3.06Å; E1025-C1027 VanDerWaalsContact C-N 3.29Å; E1025-C1027 PolarHBondContact O-N 3.25Å; C1027-G1029 PolarHBondContact O-N 3.03Å
1028S62Low68.4Low56 Ų5652.6 Ų52.639%0.39231%0.309SS..THydrogen-bonded Turntrans-74.2-0.6-176.373.90000114.7C1024 E1025 L1026 N1030C1024-S1028 PolarHBondContact O-N 2.9Å; E1025-S1028 WeakPolarHBondContact O-CB 3.4Å; E1025-S1028 PolarHBondContact O-N 3.46Å; E1025-S1028 VanDerWaalsContact O-N 3.15Å; E1025-S1028 PolarHBondContact O-OG 3.37Å; L1026-S1028 VanDerWaalsContact C-N 3.31Å; L1026-S1028 PolarHBondContact O-N 2.98Å; S1028-N1030 PolarHBondContact O-N 3.01Å; S1028-N1030 VanDerWaalsContact O-N 3.14Å
1029G57.2Low67.8Low64 Ų6454.1 Ų54.166%0.6632%0.317SS*.  trans73.7-0.6168.700000116.5C1027C1027-G1029 PolarHBondContact O-N 3.03Å
1030N59.2Low67.4Low123 Ų12353.9 Ų53.966%0.65832%0.316SS*.  trans-82143.5177.9-72.8-35.7000111.7S1028 I1032S1028-N1030 PolarHBondContact O-N 3.01Å; S1028-N1030 VanDerWaalsContact O-N 3.14Å; N1030-I1032 PolarHBondContact O-N 2.98Å; N1030-I1032 VanDerWaalsContact O-N 3.15Å
1031K57.2Low67.1Low180 Ų18056.7 Ų56.778%0.78333%0.331SS*.  trans-58.9119.1175.4-72.4-178.1178.4179.30109.8E1033K1031-E1033 HydrophobicContact CB-CG 4.33Å; K1031-E1033 PolarHBondContact O-N 3.17Å; K1031-E1033 VanDerWaalsContact O-N 3.1Å
1032I60Low66.8Low42 Ų4261.2 Ų61.222%0.21536%0.355CS..  trans-73.3101.8177.3-55.6165.7000108.4L1026 N1030 L1036 K1037 L1040 C1087L1026-I1032 HydrophobicContact CD2-CD1 3.27Å; L1026-I1032 HydrophobicContact CD2-CG1 4.5Å; N1030-I1032 PolarHBondContact O-N 2.98Å; N1030-I1032 VanDerWaalsContact O-N 3.15Å; I1032-L1036 HydrophobicContact CG2-CB 4.29Å; I1032-L1036 HydrophobicContact CG2-CD2 4.01Å; I1032-L1036 HydrophobicContact CG2-CG 4.03Å; I1032-K1037 HydrophobicContact CG2-CB 4.28Å; I1032-L1040 HydrophobicContact CD1-CD1 4.46Å; I1032-L1040 HydrophobicContact CG2-CD1 4.32Å; I1032-C1087 WeakPolarHBondContact CD1-SG 3.46Å
1033E56.8Low66.5Low153 Ų15361.9 Ų61.972%0.71536%0.358SS*.  trans-119.3145.2178.7-67.8-177.6-178.700110.5K1031K1031-E1033 HydrophobicContact CB-CG 4.33Å; K1031-E1033 PolarHBondContact O-N 3.17Å; K1031-E1033 VanDerWaalsContact O-N 3.1Å
1034G64.6Low66.2Low53 Ų5361.8 Ų61.855%0.54636%0.357SS..SBendtrans96.8-149.3173.900000116.2L1036 K1037G1034-L1036 PolarHBondContact O-N 3.48Å; G1034-K1037 PolarHBondContact O-N 3.34Å; G1034-K1037 VanDerWaalsContact O-N 3.12Å
1035T64.2Low65.8Low68 Ų6862.9 Ų62.942%0.41736%0.364SS..Hα-helixtrans-62.1-25.4-17349.60000114.1T1038 L1039T1035-T1038 WeakPolarHBondContact CA-OG1 2.93Å; T1035-T1038 PolarHBondContact O-OG1 3.43Å; T1035-L1039 WeakPolarHBondContact O-CD1 3.39Å; T1035-L1039 VanDerWaalsContact O-CG 3.31Å; T1035-L1039 WeakPolarHBondContact O-CG 3.12Å; T1035-L1039 PolarHBondContact O-N 2.95Å; T1035-L1039 VanDerWaalsContact O-N 3.16Å
1036L69.8Low65.2Low13 Ų1363.3 Ų63.37%0.06837%0.37CS..Hα-helixtrans-68-38.3174.8-177.758.9000111.9W996 L1022 I1032 G1034 L1039 L1040W996-L1036 HydrophobicContact CD2-CB 4.09Å; W996-L1036 HydrophobicContact CD2-CD1 3.91Å; W996-L1036 HydrophobicContact CD2-CD2 4.18Å; W996-L1036 HydrophobicContact CD2-CG 4.28Å; W996-L1036 HydrophobicContact CE3-CD1 3.64Å; W996-L1036 HydrophobicContact CE3-CD2 4.22Å; W996-L1036 HydrophobicContact CE3-CG 4.39Å; W996-L1036 HydrophobicContact CG-CB 4.03Å; W996-L1036 HydrophobicContact CG-CD1 4.35Å; W996-L1036 HydrophobicContact CH2-CD2 3.99Å; W996-L1036 HydrophobicContact CZ2-CD2 3.91Å; W996-L1036 HydrophobicContact CZ3-CD1 4.1Å; W996-L1036 HydrophobicContact CZ3-CD2 4.13Å; L1022-L1036 HydrophobicContact CD2-CD1 3.77Å; I1032-L1036 HydrophobicContact CG2-CB 4.29Å; I1032-L1036 HydrophobicContact CG2-CD2 4.01Å; I1032-L1036 HydrophobicContact CG2-CG 4.03Å; G1034-L1036 PolarHBondContact O-N 3.48Å; L1036-L1039 PolarHBondContact O-N 3.24Å; L1036-L1040 HydrophobicContact CD1-CD1 4.23Å; L1036-L1040 HydrophobicContact CD1-CG 4.22Å; L1036-L1040 HydrophobicContact CG-CD1 4Å; L1036-L1040 HydrophobicContact CG-CG 4.44Å; L1036-L1040 WeakPolarHBondContact O-CB 3.48Å; L1036-L1040 VanDerWaalsContact O-CG 3.29Å; L1036-L1040 WeakPolarHBondContact O-CG 3.43Å; L1036-L1040 PolarHBondContact O-N 2.87Å
1037K70.9Confident65.1Low82 Ų8270.4 Ų70.436%0.35740%0.403SS..Hα-helixtrans-65.9-40.8178.5-171.4171.1-175.5166.50111.3I1032 G1034 L1040 L1041 E1089I1032-K1037 HydrophobicContact CG2-CB 4.28Å; G1034-K1037 PolarHBondContact O-N 3.34Å; G1034-K1037 VanDerWaalsContact O-N 3.12Å; K1037-L1040 PolarHBondContact O-N 2.82Å; K1037-L1041 HydrophobicContact CG-CD1 4.25Å; K1037-L1041 WeakPolarHBondContact O-CB 3.13Å; K1037-L1041 WeakPolarHBondContact O-CD1 3.35Å; K1037-L1041 VanDerWaalsContact O-CG 3.26Å; K1037-L1041 WeakPolarHBondContact O-CG 2.94Å; K1037-L1041 PolarHBondContact O-N 3.23Å; K1037-E1089 IonicContact NZ-OE2 2.68Å; K1037-E1089 PolarHBondContact NZ-OE2 3.45Å
1038T68.7Low65.4Low80 Ų8070.8 Ų70.849%0.49139%0.394SS..Hα-helixtrans-65.8-42.5176.9510000111.7T1035 L1041 D1042T1035-T1038 WeakPolarHBondContact CA-OG1 2.93Å; T1035-T1038 PolarHBondContact O-OG1 3.43Å; T1038-L1041 PolarHBondContact O-N 3.48Å; T1038-D1042 PolarHBondContact O-N 3.25Å
1039L67.2Low65.9Low36 Ų3668.4 Ų68.419%0.18838%0.377CS..Hα-helixtrans-66.3-40.6176.7-72.4167.7000112.4W996 P997 C1000 T1035 L1036 L1041 D1042 L1043W996-L1039 HydrophobicContact CB-CD1 3.87Å; P997-L1039 HydrophobicContact CG-CD1 4.18Å; C1000-L1039 HydrophobicContact CB-CD1 4.36Å; T1035-L1039 WeakPolarHBondContact O-CD1 3.39Å; T1035-L1039 VanDerWaalsContact O-CG 3.31Å; T1035-L1039 WeakPolarHBondContact O-CG 3.12Å; T1035-L1039 PolarHBondContact O-N 2.95Å; T1035-L1039 VanDerWaalsContact O-N 3.16Å; L1036-L1039 PolarHBondContact O-N 3.24Å; L1039-L1041 VanDerWaalsContact C-N 3.34Å; L1039-D1042 PolarHBondContact O-N 3.02Å; L1039-L1043 WeakPolarHBondContact O-CB 3.48Å; L1039-L1043 WeakPolarHBondContact O-CD1 3.49Å; L1039-L1043 WeakPolarHBondContact O-CG 3.26Å; L1039-L1043 PolarHBondContact O-N 3.18Å
1040L70.2Confident66.5Low2 Ų267.9 Ų67.91%0.0136%0.358CS..Hα-helixtrans-64.2-38.3175.5-75.2170.9000112L1022 L1026 I1032 L1036 K1037 L1043 C1044 F1079 L1090L1022-L1040 HydrophobicContact CD1-CD2 4.38Å; L1022-L1040 HydrophobicContact CD2-CD2 4.36Å; L1026-L1040 HydrophobicContact CD2-CD1 4.45Å; I1032-L1040 HydrophobicContact CD1-CD1 4.46Å; I1032-L1040 HydrophobicContact CG2-CD1 4.32Å; L1036-L1040 HydrophobicContact CD1-CD1 4.23Å; L1036-L1040 HydrophobicContact CD1-CG 4.22Å; L1036-L1040 HydrophobicContact CG-CD1 4Å; L1036-L1040 HydrophobicContact CG-CG 4.44Å; L1036-L1040 WeakPolarHBondContact O-CB 3.48Å; L1036-L1040 VanDerWaalsContact O-CG 3.29Å; L1036-L1040 WeakPolarHBondContact O-CG 3.43Å; L1036-L1040 PolarHBondContact O-N 2.87Å; K1037-L1040 PolarHBondContact O-N 2.82Å; L1040-L1043 PolarHBondContact O-N 2.95Å; L1040-C1044 VanDerWaalsContact O-CB 3.31Å; L1040-C1044 WeakPolarHBondContact O-CB 3.43Å; L1040-C1044 PolarHBondContact O-N 2.63Å; L1040-C1044 PolarHBondContact O-SG 3.08Å; L1040-F1079 HydrophobicContact CD2-CE2 4.25Å; L1040-F1079 HydrophobicContact CD2-CZ 4.43Å; L1040-L1090 HydrophobicContact CB-CD1 4.18Å; L1040-L1090 HydrophobicContact CB-CD2 4.03Å; L1040-L1090 HydrophobicContact CD1-CD1 4.22Å
1041L72Confident67.2Low74 Ų7464.1 Ų64.139%0.38734%0.337SS..Hα-helixtrans-63.9-44.1174-74.3166.2000111.7K1037 T1038 L1039 L1043 C1044 C1045 L1090K1037-L1041 HydrophobicContact CG-CD1 4.25Å; K1037-L1041 WeakPolarHBondContact O-CB 3.13Å; K1037-L1041 WeakPolarHBondContact O-CD1 3.35Å; K1037-L1041 VanDerWaalsContact O-CG 3.26Å; K1037-L1041 WeakPolarHBondContact O-CG 2.94Å; K1037-L1041 PolarHBondContact O-N 3.23Å; T1038-L1041 PolarHBondContact O-N 3.48Å; L1039-L1041 VanDerWaalsContact C-N 3.34Å; L1041-L1043 VanDerWaalsContact C-N 3.35Å; L1041-L1043 PolarHBondContact O-N 2.84Å; L1041-C1044 PolarHBondContact O-N 2.84Å; L1041-C1045 PolarHBondContact O-N 3.06Å; L1041-C1045 VanDerWaalsContact O-N 3.16Å; L1041-C1045 PolarHBondContact O-SG 3.15Å; L1041-L1090 HydrophobicContact CD2-CD2 3.86Å; L1041-L1090 HydrophobicContact CG-CD2 4.01Å
1042D71.8Confident67.9Low97 Ų9756 Ų5652%0.51930%0.302SS..Hα-helixtrans-65.1-36.4176.5-73.2-15.7000112.7T1038 L1039 C1045T1038-D1042 PolarHBondContact O-N 3.25Å; L1039-D1042 PolarHBondContact O-N 3.02Å; D1042-C1045 WeakPolarHBondContact O-CB 3.25Å
1043L68.6Low68.6Low17 Ų1754 Ų549%0.08929%0.292CS..Hα-helixtrans-69.7-37.7176.3-73.3166.9000112.6L1003 L1039 L1040 L1041 C1045L1003-L1043 HydrophobicContact CB-CD1 4.46Å; L1003-L1043 HydrophobicContact CB-CD2 3.61Å; L1003-L1043 HydrophobicContact CD1-CD1 3.94Å; L1003-L1043 HydrophobicContact CD1-CD2 4.35Å; L1039-L1043 WeakPolarHBondContact O-CB 3.48Å; L1039-L1043 WeakPolarHBondContact O-CD1 3.49Å; L1039-L1043 WeakPolarHBondContact O-CG 3.26Å; L1039-L1043 PolarHBondContact O-N 3.18Å; L1040-L1043 PolarHBondContact O-N 2.95Å; L1041-L1043 VanDerWaalsContact C-N 3.35Å; L1041-L1043 PolarHBondContact O-N 2.84Å; L1043-C1045 VanDerWaalsContact C-N 3.3Å
1044C66.5Low69.5Low6 Ų652.2 Ų52.24%0.04128%0.282CS..SBendtrans-84.4-1.1-179.2-61.20000113.5L1040 L1041L1040-C1044 VanDerWaalsContact O-CB 3.31Å; L1040-C1044 WeakPolarHBondContact O-CB 3.43Å; L1040-C1044 PolarHBondContact O-N 2.63Å; L1040-C1044 PolarHBondContact O-SG 3.08Å; L1041-C1044 PolarHBondContact O-N 2.84Å
1045C66.8Low70Confident68 Ų6852.4 Ų52.446%0.45927%0.268SS..SBendtrans-60.5143.9170.5-80.80000111.9L1041 D1042 L1043 E1047 R1048 I1049L1041-C1045 PolarHBondContact O-N 3.06Å; L1041-C1045 VanDerWaalsContact O-N 3.16Å; L1041-C1045 PolarHBondContact O-SG 3.15Å; D1042-C1045 WeakPolarHBondContact O-CB 3.25Å; L1043-C1045 VanDerWaalsContact C-N 3.3Å; C1045-E1047 VanDerWaalsContact C-N 3.29Å; C1045-E1047 PolarHBondContact O-N 3.1Å; C1045-E1047 VanDerWaalsContact O-N 3.12Å; C1045-R1048 PolarHBondContact O-N 3.3Å; C1045-I1049 PolarHBondContact O-N 3.49Å
1046S60.6Low70.5Confident35 Ų3549.2 Ų49.225%0.24525%0.248CC..Hα-helixtrans-59.3-31.5-165.9720000115.4E1050 R1098S1046-E1050 WeakPolarHBondContact O-CB 3.36Å; S1046-R1098 VanDerWaalsContact C-NH1 3.32Å; S1046-R1098 PolarHBondContact O-NH1 3.42Å; S1046-R1098 PolarHBondContact OG-NH1 3.38Å; S1046-R1098 PolarHBondContact OG-NH2 3.35Å
1047E68.3Low70.6Confident158 Ų15849.2 Ų49.274%0.73825%0.249SC*.Hα-helixtrans-78.1-41.8-176.7-63.9-177.2171.400112.5C1045 E1050 L1051C1045-E1047 VanDerWaalsContact C-N 3.29Å; C1045-E1047 PolarHBondContact O-N 3.1Å; C1045-E1047 VanDerWaalsContact O-N 3.12Å; E1047-E1050 PolarHBondContact O-N 3.45Å; E1047-L1051 PolarHBondContact O-N 3.5Å
1048R70.3Confident70.8Confident79 Ų7948.1 Ų48.130%0.29826%0.255SS..Hα-helixtrans-71.8-41-176-163.2171.8-169.9119.640.6112L1003 S1004 A1005 C1045 E1050 L1051 I1052L1003-R1048 VanDerWaalsContact O-CZ 3.25Å; L1003-R1048 PolarHBondContact O-NE 3.11Å; L1003-R1048 PolarHBondContact O-NH2 3.19Å; S1004-R1048 VanDerWaalsContact CA-CZ 3.49Å; S1004-R1048 PolarHBondContact O-NH2 3.41Å; A1005-R1048 PolarHBondContact O-NH2 2.94Å; C1045-R1048 PolarHBondContact O-N 3.3Å; R1048-E1050 VanDerWaalsContact C-N 3.3Å; R1048-E1050 PolarHBondContact O-N 3.19Å; R1048-L1051 PolarHBondContact O-N 3.15Å; R1048-I1052 HydrophobicContact CG-CD1 4.3Å; R1048-I1052 VanDerWaalsContact O-CG1 3.32Å; R1048-I1052 WeakPolarHBondContact O-CG1 3.18Å; R1048-I1052 PolarHBondContact O-N 2.91Å
1049I72.3Confident70.8Confident7 Ų745.8 Ų45.84%0.03624%0.239CC..Hα-helixtrans-69-30.8178.7-147150.8000112.1C1045 T1053 W1091 A1095 I1099C1045-I1049 PolarHBondContact O-N 3.49Å; I1049-T1053 WeakPolarHBondContact O-CB 3.46Å; I1049-T1053 WeakPolarHBondContact O-CG2 3.36Å; I1049-T1053 PolarHBondContact O-N 3.09Å; I1049-T1053 PolarHBondContact O-OG1 2.88Å; I1049-W1091 HydrophobicContact CD1-CH2 3.61Å; I1049-W1091 HydrophobicContact CD1-CZ3 3.44Å; I1049-W1091 VanDerWaalsContact CD1-CZ3 3.44Å; I1049-A1095 HydrophobicContact CG2-CB 4.18Å; I1049-I1099 HydrophobicContact CD1-CD1 3.98Å; I1049-I1099 HydrophobicContact CG1-CD1 4.13Å; I1049-I1099 HydrophobicContact CG1-CG1 4.41Å
1050E70Confident70.8Confident53 Ų5344.5 Ų44.525%0.24823%0.233CC..Hα-helixtrans-65.7-41.5172.6-176.2179.2168.600111.4S1046 E1047 R1048 T1053 K1054 R1098S1046-E1050 WeakPolarHBondContact O-CB 3.36Å; E1047-E1050 PolarHBondContact O-N 3.45Å; R1048-E1050 VanDerWaalsContact C-N 3.3Å; R1048-E1050 PolarHBondContact O-N 3.19Å; E1050-T1053 WeakPolarHBondContact CA-OG1 3.5Å; E1050-T1053 PolarHBondContact O-OG1 2.93Å; E1050-K1054 HydrophobicContact CG-CD 4.24Å; E1050-K1054 WeakPolarHBondContact O-CB 3.48Å; E1050-K1054 VanDerWaalsContact O-CG 3.28Å; E1050-K1054 WeakPolarHBondContact O-CG 3.44Å; E1050-K1054 PolarHBondContact O-N 2.77Å; E1050-K1054 VanDerWaalsContact OE1-CE 3.24Å; E1050-K1054 WeakPolarHBondContact OE1-CE 3.19Å; E1050-K1054 IonicContact OE1-NZ 3.71Å; E1050-K1054 PolarHBondContact OE1-NZ 2.92Å; E1050-R1098 WeakPolarHBondContact OE2-CD 3.48Å; E1050-R1098 IonicContact OE2-CZ 3.84Å; E1050-R1098 IonicContact OE2-NE 3.5Å; E1050-R1098 IonicContact OE2-NH1 2.93Å; E1050-R1098 PolarHBondContact OE2-NH1 2.79Å
1051L73.7Confident70.5Confident44 Ų4449.1 Ų49.123%0.2325%0.254CS..Hα-helixtrans-64.4-47.4175.8-172135.5000111.8E1007 E1047 R1048 T1053 K1054 K1055E1007-L1051 HydrophobicContact CB-CD1 4.03Å; E1007-L1051 VanDerWaalsContact CD-CD1 3.45Å; E1007-L1051 HydrophobicContact CG-CD1 3.39Å; E1007-L1051 WeakPolarHBondContact OE1-CD1 3.41Å; E1047-L1051 PolarHBondContact O-N 3.5Å; R1048-L1051 PolarHBondContact O-N 3.15Å; L1051-T1053 PolarHBondContact O-N 3.01Å; L1051-K1054 PolarHBondContact O-N 3.31Å; L1051-K1055 HydrophobicContact CD2-CD 4.31Å; L1051-K1055 WeakPolarHBondContact O-CB 3.49Å; L1051-K1055 PolarHBondContact O-N 3.32Å
1052I73.5Confident70Confident10 Ų1047 Ų475%0.05125%0.25CC..Hα-helixtrans-58.7-50178.4-67.8169.1000110.3F1010 W1019 R1048 K1054 K1055 I1056 F1076F1010-I1052 HydrophobicContact CE1-CG1 4.25Å; F1010-I1052 HydrophobicContact CE1-CG2 4.37Å; F1010-I1052 HydrophobicContact CE2-CG1 4.27Å; F1010-I1052 HydrophobicContact CZ-CB 4.41Å; F1010-I1052 HydrophobicContact CZ-CG1 3.89Å; F1010-I1052 HydrophobicContact CZ-CG2 4.03Å; W1019-I1052 HydrophobicContact CH2-CG2 4.39Å; W1019-I1052 HydrophobicContact CZ2-CG2 3.82Å; R1048-I1052 HydrophobicContact CG-CD1 4.3Å; R1048-I1052 VanDerWaalsContact O-CG1 3.32Å; R1048-I1052 WeakPolarHBondContact O-CG1 3.18Å; R1048-I1052 PolarHBondContact O-N 2.91Å; I1052-K1054 PolarHBondContact O-N 3.47Å; I1052-K1055 PolarHBondContact O-N 2.68Å; I1052-I1056 HydrophobicContact CG2-CD1 3.68Å; I1052-I1056 HydrophobicContact CG2-CG1 4.37Å; I1052-I1056 VanDerWaalsContact O-CG1 3.27Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.36Å; I1052-I1056 PolarHBondContact O-N 2.75Å; I1052-F1076 HydrophobicContact CG2-CE2 4.42Å
1053T72.9Confident69.3Low0 Ų052.3 Ų52.30%027%0.272CS..Hα-helixtrans-64.9-40.4-178.551.30000112.8I1049 E1050 L1051 K1055 C1057 F1076 I1099 F1103I1049-T1053 WeakPolarHBondContact O-CB 3.46Å; I1049-T1053 WeakPolarHBondContact O-CG2 3.36Å; I1049-T1053 PolarHBondContact O-N 3.09Å; I1049-T1053 PolarHBondContact O-OG1 2.88Å; E1050-T1053 WeakPolarHBondContact CA-OG1 3.5Å; E1050-T1053 PolarHBondContact O-OG1 2.93Å; L1051-T1053 PolarHBondContact O-N 3.01Å; T1053-K1055 PolarHBondContact O-N 3.42Å; T1053-C1057 WeakPolarHBondContact O-CB 3.36Å; T1053-C1057 PolarHBondContact O-N 2.85Å; T1053-C1057 PolarHBondContact O-SG 2.78Å; T1053-F1076 HydrophobicContact CG2-CZ 4.16Å; T1053-I1099 HydrophobicContact CG2-CB 4.47Å; T1053-I1099 HydrophobicContact CG2-CG1 3.8Å; T1053-F1103 HydrophobicContact CG2-CE2 4.27Å
1054K77.6Confident68.9Low114 Ų11454.7 Ų54.750%0.49628%0.284SS..Hα-helixtrans-61.2-42172.8-77.2177.3-175.2170.20112.1E1050 L1051 I1052 C1057 A1058E1050-K1054 HydrophobicContact CG-CD 4.24Å; E1050-K1054 WeakPolarHBondContact O-CB 3.48Å; E1050-K1054 VanDerWaalsContact O-CG 3.28Å; E1050-K1054 WeakPolarHBondContact O-CG 3.44Å; E1050-K1054 PolarHBondContact O-N 2.77Å; E1050-K1054 VanDerWaalsContact OE1-CE 3.24Å; E1050-K1054 WeakPolarHBondContact OE1-CE 3.19Å; E1050-K1054 IonicContact OE1-NZ 3.71Å; E1050-K1054 PolarHBondContact OE1-NZ 2.92Å; L1051-K1054 PolarHBondContact O-N 3.31Å; I1052-K1054 PolarHBondContact O-N 3.47Å; K1054-C1057 PolarHBondContact O-N 2.91Å; K1054-A1058 WeakPolarHBondContact O-CB 3.29Å; K1054-A1058 PolarHBondContact O-N 3.48Å
1055K74.2Confident68.7Low58 Ų5856.1 Ų56.125%0.25230%0.3SS..Hα-helixtrans-71.9-37.5-179.1-126.6158.1166-153.80112.7E1007 F1010 L1051 I1052 T1053 A1058 M1059E1007-K1055 WeakPolarHBondContact O-CE 3.37Å; E1007-K1055 PolarHBondContact O-NZ 3.36Å; F1010-K1055 HydrophobicContact CD1-CD 3.99Å; F1010-K1055 PolarHBondContact O-NZ 2.95Å; L1051-K1055 HydrophobicContact CD2-CD 4.31Å; L1051-K1055 WeakPolarHBondContact O-CB 3.49Å; L1051-K1055 PolarHBondContact O-N 3.32Å; I1052-K1055 PolarHBondContact O-N 2.68Å; T1053-K1055 PolarHBondContact O-N 3.42Å; K1055-A1058 PolarHBondContact O-N 3.49Å; K1055-M1059 PolarHBondContact O-N 2.72Å
1056I74.4Confident68.6Low1 Ų156.3 Ų56.31%0.00530%0.296CS..Hα-helixtrans-61.8-46.3169.9-65.3165.7000110.1P1012 W1019 I1052 A1058 M1059 C1060 V1072 L1073 F1076 F1103P1012-I1056 HydrophobicContact CB-CG1 4.4Å; W1019-I1056 HydrophobicContact CH2-CD1 3.47Å; W1019-I1056 VanDerWaalsContact CH2-CD1 3.47Å; W1019-I1056 HydrophobicContact CH2-CG1 4Å; W1019-I1056 HydrophobicContact CZ2-CD1 4.11Å; W1019-I1056 HydrophobicContact CZ3-CD1 4.2Å; I1052-I1056 HydrophobicContact CG2-CD1 3.68Å; I1052-I1056 HydrophobicContact CG2-CG1 4.37Å; I1052-I1056 VanDerWaalsContact O-CG1 3.27Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.36Å; I1052-I1056 PolarHBondContact O-N 2.75Å; I1056-A1058 VanDerWaalsContact C-N 3.32Å; I1056-A1058 PolarHBondContact O-N 3.48Å; I1056-M1059 PolarHBondContact O-N 3.48Å; I1056-C1060 PolarHBondContact O-N 2.76Å; I1056-C1060 VanDerWaalsContact O-N 3.12Å; I1056-C1060 PolarHBondContact O-SG 3.37Å; I1056-V1072 HydrophobicContact CG1-CG1 4.42Å; I1056-L1073 HydrophobicContact CG2-CD2 3.79Å; I1056-F1076 HydrophobicContact CD1-CD1 4.34Å; I1056-F1076 HydrophobicContact CD1-CD2 3.87Å; I1056-F1076 HydrophobicContact CD1-CE2 4.07Å; I1056-F1076 HydrophobicContact CD1-CG 4.02Å; I1056-F1076 HydrophobicContact CD1-CZ 4.39Å; I1056-F1103 HydrophobicContact CG2-CZ 4.38Å
1057C73.2Confident68.9Low13 Ų1358.6 Ų58.69%0.08831%0.312CS..Hα-helixtrans-61.4-39.2176.1-690000111.7T1053 K1054 C1060 H1061T1053-C1057 WeakPolarHBondContact O-CB 3.36Å; T1053-C1057 PolarHBondContact O-N 2.85Å; T1053-C1057 PolarHBondContact O-SG 2.78Å; K1054-C1057 PolarHBondContact O-N 2.91Å; C1057-C1060 PolarHBondContact O-N 2.76Å; C1057-H1061 PolarHBondContact O-ND1 2.92Å
1058A73.2Confident68.8Low59 Ų5953.7 Ų53.749%0.48829%0.291SS..Hα-helixtrans-65.2-41.1175.600000112.5K1054 K1055 I1056 C1060 H1061 G1062K1054-A1058 WeakPolarHBondContact O-CB 3.29Å; K1054-A1058 PolarHBondContact O-N 3.48Å; K1055-A1058 PolarHBondContact O-N 3.49Å; I1056-A1058 VanDerWaalsContact C-N 3.32Å; I1056-A1058 PolarHBondContact O-N 3.48Å; A1058-C1060 VanDerWaalsContact C-N 3.29Å; A1058-C1060 PolarHBondContact O-N 3.25Å; A1058-H1061 PolarHBondContact O-N 2.89Å; A1058-H1061 VanDerWaalsContact O-N 3.13Å; A1058-G1062 PolarHBondContact O-N 3.32Å
1059M70.1Confident68.9Low30 Ų3051.7 Ų51.715%0.14828%0.284CS..Hα-helixtrans-61-35.9174.5-85.7-170.548.300113.1P1012 K1055 I1056 H1061 G1062 I1064 K1069 V1072P1012-M1059 HydrophobicContact CB-CE 4.21Å; P1012-M1059 HydrophobicContact CB-SD 3.38Å; P1012-M1059 WeakPolarHBondContact CB-SD 3.4Å; P1012-M1059 WeakPolarHBondContact CD-SD 3.33Å; P1012-M1059 HydrophobicContact CG-CG 4.22Å; P1012-M1059 HydrophobicContact CG-SD 3.19Å; P1012-M1059 WeakPolarHBondContact CG-SD 3.46Å; K1055-M1059 PolarHBondContact O-N 2.72Å; I1056-M1059 PolarHBondContact O-N 3.48Å; M1059-H1061 PolarHBondContact O-N 3.28Å; M1059-G1062 PolarHBondContact O-N 3.35Å; M1059-G1062 VanDerWaalsContact O-N 3.07Å; M1059-I1064 HydrophobicContact CB-CD1 4.31Å; M1059-I1064 HydrophobicContact CE-CD1 3.77Å; M1059-I1064 HydrophobicContact CG-CD1 3.82Å; M1059-I1064 HydrophobicContact SD-CD1 4.2Å; M1059-K1069 WeakPolarHBondContact O-CE 3.36Å; M1059-V1072 HydrophobicContact CE-CG2 4.13Å
1060C66.1Low68.9Low10 Ų1052.7 Ų52.77%0.06829%0.29CS..Hα-helixtrans-62.3-30.2177-640000112.3I1056 C1057 A1058 K1069 L1106I1056-C1060 PolarHBondContact O-N 2.76Å; I1056-C1060 VanDerWaalsContact O-N 3.12Å; I1056-C1060 PolarHBondContact O-SG 3.37Å; C1057-C1060 PolarHBondContact O-N 2.76Å; A1058-C1060 VanDerWaalsContact C-N 3.29Å; A1058-C1060 PolarHBondContact O-N 3.25Å; C1060-K1069 WeakPolarHBondContact O-CE 3.02Å; C1060-K1069 PolarHBondContact O-NZ 3.22Å; C1060-L1106 HydrophobicContact CB-CD1 4.09Å; C1060-L1106 HydrophobicContact CB-CD2 4.29Å
1061H64.2Low68.9Low99 Ų9955.1 Ų55.146%0.45830%0.296SS..Hα-helixtrans-85.2-13175.3-63.283000113.7C1057 A1058 M1059 L1106C1057-H1061 PolarHBondContact O-ND1 2.92Å; A1058-H1061 PolarHBondContact O-N 2.89Å; A1058-H1061 VanDerWaalsContact O-N 3.13Å; M1059-H1061 PolarHBondContact O-N 3.28Å; H1061-L1106 WeakPolarHBondContact CE1-CD1 3.38Å
1062G61.8Low69Low28 Ų2853.1 Ų53.129%0.28929%0.286SS..SBendtrans-77.9168.1-178.500000114.3A1058 M1059 I1064 K1069A1058-G1062 PolarHBondContact O-N 3.32Å; M1059-G1062 PolarHBondContact O-N 3.35Å; M1059-G1062 VanDerWaalsContact O-N 3.07Å; G1062-I1064 PolarHBondContact O-N 2.94Å; G1062-I1064 VanDerWaalsContact O-N 3.1Å; G1062-K1069 WeakPolarHBondContact O-CE 3.23Å; G1062-K1069 PolarHBondContact O-NZ 2.99Å
1063Q57.6Low69Low210 Ų21052.7 Ų52.798%0.98128%0.284SS*.SBendtrans-74.715.3176.4-69.1-171.2-19.600114.4
1064I60Low69.1Low66 Ų6657.4 Ų57.434%0.33830%0.304SS..  trans-70145-179.5-55.5174.1000109.2M1059 G1062 D1068 K1069M1059-I1064 HydrophobicContact CB-CD1 4.31Å; M1059-I1064 HydrophobicContact CE-CD1 3.77Å; M1059-I1064 HydrophobicContact CG-CD1 3.82Å; M1059-I1064 HydrophobicContact SD-CD1 4.2Å; G1062-I1064 PolarHBondContact O-N 2.94Å; G1062-I1064 VanDerWaalsContact O-N 3.1Å; I1064-D1068 HydrophobicContact CG2-CB 3.71Å; I1064-K1069 WeakPolarHBondContact O-CE 3.44Å
1065G61.5Low68.9Low37 Ų3752 Ų5238%0.38128%0.281SS..  trans-54.5146.1-179.400000113.3S1067 D1068 K1069G1065-S1067 PolarHBondContact O-N 3.06Å; G1065-D1068 PolarHBondContact O-N 2.97Å; G1065-D1068 VanDerWaalsContact O-N 3.15Å; G1065-K1069 PolarHBondContact O-N 3.19Å; G1065-K1069 VanDerWaalsContact O-N 3.16Å
1066L65.5Low69.3Low72 Ų7249.4 Ų49.438%0.37727%0.27SS..Hα-helixtrans-58-36.7-179.1-176.667.1000112.1D1068 K1069 L1070L1066-D1068 VanDerWaalsContact C-N 3.32Å; L1066-D1068 PolarHBondContact O-N 3.07Å; L1066-K1069 PolarHBondContact O-N 3.36Å; L1066-L1070 HydrophobicContact CD1-CD1 4.48Å; L1066-L1070 HydrophobicContact CD1-CG 4.42Å; L1066-L1070 HydrophobicContact CG-CD1 4.02Å; L1066-L1070 HydrophobicContact CG-CG 4.37Å; L1066-L1070 WeakPolarHBondContact O-CB 3.2Å; L1066-L1070 WeakPolarHBondContact O-CG 3.24Å; L1066-L1070 PolarHBondContact O-N 2.76Å
1067S66Low69.4Low83 Ų8352 Ų5258%0.5828%0.279SS*.Hα-helixtrans-57.1-44.6176.7530000112.5G1065 L1070 R1071G1065-S1067 PolarHBondContact O-N 3.06Å; S1067-L1070 PolarHBondContact O-N 3.41Å; S1067-R1071 WeakPolarHBondContact O-CB 3.47Å; S1067-R1071 PolarHBondContact O-N 2.86Å
1068D66.4Low69.5Low55 Ų5553.7 Ų53.729%0.29429%0.288SS..Hα-helixtrans-73.1-39.7-176.7-65-13.2000110.6L1013 I1064 G1065 L1066 L1070 R1071 V1072L1013-D1068 HydrophobicContact CD1-CB 3.64Å; I1064-D1068 HydrophobicContact CG2-CB 3.71Å; G1065-D1068 PolarHBondContact O-N 2.97Å; G1065-D1068 VanDerWaalsContact O-N 3.15Å; L1066-D1068 VanDerWaalsContact C-N 3.32Å; L1066-D1068 PolarHBondContact O-N 3.07Å; D1068-L1070 VanDerWaalsContact C-N 3.32Å; D1068-L1070 PolarHBondContact O-N 2.8Å; D1068-R1071 PolarHBondContact O-N 3.09Å; D1068-V1072 WeakPolarHBondContact O-CG2 3.22Å; D1068-V1072 PolarHBondContact O-N 2.87Å; D1068-V1072 VanDerWaalsContact O-N 3.11Å
1069K73.1Confident69.8Low36 Ų3651.5 Ų51.516%0.15727%0.267CS..Hα-helixtrans-56.6-47.5171.4-68.4-179.3177.9-177.90110.9M1059 C1060 G1062 I1064 G1065 L1066 L1073 L1122M1059-K1069 WeakPolarHBondContact O-CE 3.36Å; C1060-K1069 WeakPolarHBondContact O-CE 3.02Å; C1060-K1069 PolarHBondContact O-NZ 3.22Å; G1062-K1069 WeakPolarHBondContact O-CE 3.23Å; G1062-K1069 PolarHBondContact O-NZ 2.99Å; I1064-K1069 WeakPolarHBondContact O-CE 3.44Å; G1065-K1069 PolarHBondContact O-N 3.19Å; G1065-K1069 VanDerWaalsContact O-N 3.16Å; L1066-K1069 PolarHBondContact O-N 3.36Å; K1069-L1073 WeakPolarHBondContact O-CB 3.39Å; K1069-L1073 WeakPolarHBondContact O-CG 3.28Å; K1069-L1073 PolarHBondContact O-N 3.37Å; K1069-L1073 VanDerWaalsContact O-N 3.14Å; K1069-L1122 HydrophobicContact CB-CD1 4.05Å
1070L71.1Confident70Confident29 Ų2950.1 Ų50.115%0.15226%0.26CS..Hα-helixtrans-67.6-39.3179.5-66.7173.4000112.1L1066 S1067 D1068 L1073 K1074 P1121 I1125L1066-L1070 HydrophobicContact CD1-CD1 4.48Å; L1066-L1070 HydrophobicContact CD1-CG 4.42Å; L1066-L1070 HydrophobicContact CG-CD1 4.02Å; L1066-L1070 HydrophobicContact CG-CG 4.37Å; L1066-L1070 WeakPolarHBondContact O-CB 3.2Å; L1066-L1070 WeakPolarHBondContact O-CG 3.24Å; L1066-L1070 PolarHBondContact O-N 2.76Å; S1067-L1070 PolarHBondContact O-N 3.41Å; D1068-L1070 VanDerWaalsContact C-N 3.32Å; D1068-L1070 PolarHBondContact O-N 2.8Å; L1070-L1073 PolarHBondContact O-N 2.85Å; L1070-K1074 VanDerWaalsContact O-CB 3.29Å; L1070-K1074 WeakPolarHBondContact O-CB 3.32Å; L1070-K1074 WeakPolarHBondContact O-CG 3.21Å; L1070-K1074 PolarHBondContact O-N 3.2Å; L1070-P1121 HydrophobicContact CD1-CB 4.39Å; L1070-P1121 HydrophobicContact CD2-CB 3.95Å; L1070-I1125 HydrophobicContact CD2-CD1 3.43Å; L1070-I1125 VanDerWaalsContact CD2-CD1 3.43Å
1071R70.1Confident70.3Confident103 Ų10353.5 Ų53.539%0.38928%0.275SS..Hα-helixtrans-61.7-47.4179.8-169.1175.6-168.6176-4.2111.8N972 E975 S1067 D1068 A1075N972-R1071 PolarHBondContact OD1-NH2 3.26Å; E975-R1071 IonicContact OE2-NH2 3.86Å; E975-R1071 PolarHBondContact OE2-NH2 3.48Å; S1067-R1071 WeakPolarHBondContact O-CB 3.47Å; S1067-R1071 PolarHBondContact O-N 2.86Å; D1068-R1071 PolarHBondContact O-N 3.09Å; R1071-A1075 WeakPolarHBondContact O-CB 3.32Å; R1071-A1075 PolarHBondContact O-N 3.15Å
1072V75.7Confident70.7Confident3 Ų348.9 Ų48.92%0.01825%0.254CS..Hα-helixtrans-64.8-46178.9175.50000110.8P1012 L1013 A1016 W1019 I1056 M1059 D1068 A1075 F1076P1012-V1072 HydrophobicContact CB-CG1 3.82Å; L1013-V1072 HydrophobicContact CD1-CG2 4.32Å; A1016-V1072 HydrophobicContact CB-CG2 4.25Å; W1019-V1072 HydrophobicContact CH2-CG1 4.23Å; W1019-V1072 HydrophobicContact CZ3-CG1 3.72Å; I1056-V1072 HydrophobicContact CG1-CG1 4.42Å; M1059-V1072 HydrophobicContact CE-CG2 4.13Å; D1068-V1072 WeakPolarHBondContact O-CG2 3.22Å; D1068-V1072 PolarHBondContact O-N 2.87Å; D1068-V1072 VanDerWaalsContact O-N 3.11Å; V1072-A1075 PolarHBondContact O-N 3.15Å; V1072-F1076 WeakPolarHBondContact O-CB 3.31Å; V1072-F1076 PolarHBondContact O-N 3.08Å
1073L73.7Confident71.2Confident1 Ų147.6 Ų47.61%0.00524%0.241CC..Hα-helixtrans-67.5-38.4-179.5-73.4172.7000113I1056 K1069 L1070 R1077 F1103 L1122 I1125 V1126 I1129I1056-L1073 HydrophobicContact CG2-CD2 3.79Å; K1069-L1073 WeakPolarHBondContact O-CB 3.39Å; K1069-L1073 WeakPolarHBondContact O-CG 3.28Å; K1069-L1073 PolarHBondContact O-N 3.37Å; K1069-L1073 VanDerWaalsContact O-N 3.14Å; L1070-L1073 PolarHBondContact O-N 2.85Å; L1073-R1077 WeakPolarHBondContact O-CB 3.44Å; L1073-R1077 PolarHBondContact O-N 3.18Å; L1073-F1103 HydrophobicContact CD2-CE1 4.12Å; L1073-L1122 HydrophobicContact CD1-CD1 3.48Å; L1073-L1122 VanDerWaalsContact CD1-CD1 3.48Å; L1073-L1122 HydrophobicContact CD1-CG 4.2Å; L1073-I1125 HydrophobicContact CB-CG2 3.72Å; L1073-V1126 HydrophobicContact CD1-CG2 4.34Å; L1073-I1129 HydrophobicContact CD2-CD1 4.17Å
1074K76.2Confident71.7Confident99 Ų9937.7 Ų37.743%0.4320%0.195SC..Hα-helixtrans-63.5-49174.5-75.6177.9-177.3-176.50111.2L1070 F1076 R1077 D1078 I1125L1070-K1074 VanDerWaalsContact O-CB 3.29Å; L1070-K1074 WeakPolarHBondContact O-CB 3.32Å; L1070-K1074 WeakPolarHBondContact O-CG 3.21Å; L1070-K1074 PolarHBondContact O-N 3.2Å; K1074-F1076 VanDerWaalsContact C-N 3.3Å; K1074-F1076 PolarHBondContact O-N 3.23Å; K1074-R1077 WeakPolarHBondContact O-CB 3.44Å; K1074-R1077 PolarHBondContact O-N 2.84Å; K1074-D1078 PolarHBondContact O-N 3.27Å; K1074-I1125 HydrophobicContact CG-CD1 3.81Å
1075A73.5Confident72.1Confident0 Ų039.7 Ų39.70%020%0.202CC..Hα-helixtrans-61.1-40.1179.400000112.3A1016 W1019 N1020 R1071 V1072 D1078 F1079A1016-A1075 HydrophobicContact CB-CB 4Å; A1016-A1075 WeakPolarHBondContact O-CB 3.46Å; W1019-A1075 HydrophobicContact CB-CB 4.22Å; W1019-A1075 HydrophobicContact CE3-CB 4.11Å; N1020-A1075 VanDerWaalsContact OD1-CA 3.24Å; N1020-A1075 WeakPolarHBondContact OD1-CA 3.31Å; N1020-A1075 VanDerWaalsContact OD1-CB 3.31Å; N1020-A1075 WeakPolarHBondContact OD1-CB 3.5Å; R1071-A1075 WeakPolarHBondContact O-CB 3.32Å; R1071-A1075 PolarHBondContact O-N 3.15Å; V1072-A1075 PolarHBondContact O-N 3.15Å; A1075-D1078 PolarHBondContact O-N 3.2Å; A1075-F1079 WeakPolarHBondContact O-CB 3.12Å; A1075-F1079 PolarHBondContact O-N 3.38Å
1076F81.5Confident72.3Confident4 Ų442.1 Ų42.12%0.01820%0.204CC..Hα-helixtrans-66.9-40.9176-169.4-109000112.5W1019 I1052 T1053 I1056 V1072 K1074 L1080 F1103 I1129W1019-F1076 HydrophobicContact CD2-CB 4.45Å; W1019-F1076 HydrophobicContact CD2-CD2 4.07Å; W1019-F1076 AromaticContact CE2-CD2 3.9Å; W1019-F1076 HydrophobicContact CE3-CB 3.77Å; W1019-F1076 HydrophobicContact CE3-CD2 4.1Å; W1019-F1076 HydrophobicContact CE3-CG 4.45Å; W1019-F1076 HydrophobicContact CH2-CB 4.44Å; W1019-F1076 AromaticContact CH2-CD2 3.95Å; W1019-F1076 HydrophobicContact CH2-CD2 3.95Å; W1019-F1076 AromaticContact CZ2-CD2 3.86Å; W1019-F1076 HydrophobicContact CZ2-CD2 3.86Å; W1019-F1076 HydrophobicContact CZ2-CE2 4.41Å; W1019-F1076 HydrophobicContact CZ3-CB 3.76Å; W1019-F1076 HydrophobicContact CZ3-CD2 4.04Å; W1019-F1076 HydrophobicContact CZ3-CG 4.3Å; I1052-F1076 HydrophobicContact CG2-CE2 4.42Å; T1053-F1076 HydrophobicContact CG2-CZ 4.16Å; I1056-F1076 HydrophobicContact CD1-CD1 4.34Å; I1056-F1076 HydrophobicContact CD1-CD2 3.87Å; I1056-F1076 HydrophobicContact CD1-CE2 4.07Å; I1056-F1076 HydrophobicContact CD1-CG 4.02Å; I1056-F1076 HydrophobicContact CD1-CZ 4.39Å; V1072-F1076 WeakPolarHBondContact O-CB 3.31Å; V1072-F1076 PolarHBondContact O-N 3.08Å; K1074-F1076 VanDerWaalsContact C-N 3.3Å; K1074-F1076 PolarHBondContact O-N 3.23Å; F1076-L1080 HydrophobicContact CD1-CD1 3.78Å; F1076-L1080 HydrophobicContact CD1-CG 4.29Å; F1076-L1080 HydrophobicContact CE1-CD1 3.41Å; F1076-L1080 VanDerWaalsContact CE1-CD1 3.41Å; F1076-L1080 HydrophobicContact CE1-CG 3.99Å; F1076-L1080 HydrophobicContact CZ-CD1 4.06Å; F1076-L1080 HydrophobicContact CZ-CD2 4.35Å; F1076-L1080 HydrophobicContact CZ-CG 4.21Å; F1076-L1080 WeakPolarHBondContact O-CB 3.49Å; F1076-L1080 WeakPolarHBondContact O-CG 3.28Å; F1076-L1080 PolarHBondContact O-N 3.43Å; F1076-F1103 HydrophobicContact CD1-CE2 4.34Å; F1076-F1103 HydrophobicContact CD1-CZ 4.05Å; F1076-F1103 AromaticContact CE1-CE2 3.72Å; F1076-F1103 HydrophobicContact CE1-CE2 3.72Å; F1076-F1103 AromaticContact CE1-CZ 3.87Å; F1076-F1103 HydrophobicContact CE1-CZ 3.87Å; F1076-I1129 HydrophobicContact CD1-CD1 4.34Å
1077R76.6Confident72.2Confident55 Ų5539.8 Ų39.821%0.20819%0.193CC..Hα-helixtrans-59.4-47.3173.8176.6-154.364.5-174-2.5111.1L1073 K1074 F1079 L1080 Q1081 T1128 I1129 I1132L1073-R1077 WeakPolarHBondContact O-CB 3.44Å; L1073-R1077 PolarHBondContact O-N 3.18Å; K1074-R1077 WeakPolarHBondContact O-CB 3.44Å; K1074-R1077 PolarHBondContact O-N 2.84Å; R1077-F1079 VanDerWaalsContact C-N 3.34Å; R1077-F1079 PolarHBondContact O-N 2.81Å; R1077-L1080 PolarHBondContact O-N 3.4Å; R1077-Q1081 WeakPolarHBondContact O-CB 3.31Å; R1077-Q1081 PolarHBondContact O-N 3.48Å; R1077-T1128 WeakPolarHBondContact CD-OG1 3.47Å; R1077-I1129 HydrophobicContact CB-CD1 4.4Å; R1077-I1129 HydrophobicContact CB-CG1 3.93Å; R1077-I1129 HydrophobicContact CG-CG1 4.3Å; R1077-I1132 HydrophobicContact CG-CD1 3.75Å
1078D75.3Confident72.1Confident49 Ų4941.3 Ų41.326%0.26219%0.189SC..Hα-helixtrans-65.7-39.5-176.5-64.3-15000111.2A1023 K1074 A1075 A1082A1023-D1078 HydrophobicContact CB-CB 4.43Å; K1074-D1078 PolarHBondContact O-N 3.27Å; A1075-D1078 PolarHBondContact O-N 3.2Å; D1078-A1082 WeakPolarHBondContact O-CB 3.24Å; D1078-A1082 PolarHBondContact O-N 3.46Å
1079F79.2Confident72Confident13 Ų1346.4 Ų46.46%0.05721%0.212CC..Hα-helixtrans-63.2-46.2171171.5-100.7000113.1W1019 L1022 L1026 L1040 A1075 R1077 Q1081 A1082 S1083W1019-F1079 HydrophobicContact CB-CB 3.99Å; W1019-F1079 HydrophobicContact CG-CB 4.43Å; L1022-F1079 HydrophobicContact CB-CD2 3.82Å; L1022-F1079 HydrophobicContact CB-CE2 3.97Å; L1022-F1079 HydrophobicContact CD1-CD2 4.34Å; L1022-F1079 HydrophobicContact CD1-CE2 3.97Å; L1026-F1079 HydrophobicContact CD1-CD2 4.23Å; L1026-F1079 HydrophobicContact CD1-CE2 4.12Å; L1040-F1079 HydrophobicContact CD2-CE2 4.25Å; L1040-F1079 HydrophobicContact CD2-CZ 4.43Å; A1075-F1079 WeakPolarHBondContact O-CB 3.12Å; A1075-F1079 PolarHBondContact O-N 3.38Å; R1077-F1079 VanDerWaalsContact C-N 3.34Å; R1077-F1079 PolarHBondContact O-N 2.81Å; F1079-Q1081 PolarHBondContact O-N 3.45Å; F1079-A1082 PolarHBondContact O-N 3.26Å; F1079-S1083 VanDerWaalsContact O-CB 3.28Å; F1079-S1083 WeakPolarHBondContact O-CB 3.26Å; F1079-S1083 PolarHBondContact O-N 3.27Å; F1079-S1083 PolarHBondContact O-OG 2.7Å
1080L74.2Confident71.5Confident1 Ų145.5 Ų45.51%0.00521%0.208CC..Hα-helixtrans-59.5-47.5176.7-78.8178.3000111F1076 R1077 S1083 C1084 W1091 I1099 I1129 I1132F1076-L1080 HydrophobicContact CD1-CD1 3.78Å; F1076-L1080 HydrophobicContact CD1-CG 4.29Å; F1076-L1080 HydrophobicContact CE1-CD1 3.41Å; F1076-L1080 VanDerWaalsContact CE1-CD1 3.41Å; F1076-L1080 HydrophobicContact CE1-CG 3.99Å; F1076-L1080 HydrophobicContact CZ-CD1 4.06Å; F1076-L1080 HydrophobicContact CZ-CD2 4.35Å; F1076-L1080 HydrophobicContact CZ-CG 4.21Å; F1076-L1080 WeakPolarHBondContact O-CB 3.49Å; F1076-L1080 WeakPolarHBondContact O-CG 3.28Å; F1076-L1080 PolarHBondContact O-N 3.43Å; R1077-L1080 PolarHBondContact O-N 3.4Å; L1080-S1083 PolarHBondContact O-N 3.16Å; L1080-S1083 PolarHBondContact O-OG 2.67Å; L1080-C1084 WeakPolarHBondContact O-CB 3.04Å; L1080-C1084 PolarHBondContact O-N 3.1Å; L1080-C1084 PolarHBondContact O-SG 3.04Å; L1080-W1091 HydrophobicContact CD2-CH2 3.42Å; L1080-W1091 VanDerWaalsContact CD2-CH2 3.42Å; L1080-W1091 HydrophobicContact CD2-CZ2 3.61Å; L1080-W1091 HydrophobicContact CD2-CZ3 4.46Å; L1080-I1099 HydrophobicContact CD2-CD1 4.38Å; L1080-I1129 HydrophobicContact CD1-CG2 3.74Å; L1080-I1132 HydrophobicContact CB-CG2 4.47Å
1081Q73.9Confident71.4Confident80 Ų8045.2 Ų45.237%0.37421%0.205SC..Hα-helixtrans-59.5-51178.3-174.4175.3-11.900111.6R1077 F1079 S1083 C1084 E1085 I1132R1077-Q1081 WeakPolarHBondContact O-CB 3.31Å; R1077-Q1081 PolarHBondContact O-N 3.48Å; F1079-Q1081 PolarHBondContact O-N 3.45Å; Q1081-S1083 PolarHBondContact O-N 3.33Å; Q1081-C1084 PolarHBondContact O-N 3.4Å; Q1081-E1085 VanDerWaalsContact CG-OE1 3.29Å; Q1081-E1085 WeakPolarHBondContact CG-OE1 3.26Å; Q1081-E1085 PolarHBondContact NE2-OE1 3.35Å; Q1081-E1085 WeakPolarHBondContact O-CB 3.31Å; Q1081-E1085 WeakPolarHBondContact O-CG 3.47Å; Q1081-E1085 PolarHBondContact O-N 3.25Å; Q1081-I1132 HydrophobicContact CB-CD1 4.14Å
1082A71.6Confident71.3Confident3 Ų343.9 Ų43.93%0.02521%0.208CC..Hα-helixtrans-62.2-41.4-17900000112.5A1023 L1026 D1078 F1079 H1086A1023-A1082 HydrophobicContact CB-CB 4.07Å; L1026-A1082 HydrophobicContact CB-CB 3.95Å; L1026-A1082 HydrophobicContact CD1-CB 4.18Å; D1078-A1082 WeakPolarHBondContact O-CB 3.24Å; D1078-A1082 PolarHBondContact O-N 3.46Å; F1079-A1082 PolarHBondContact O-N 3.26Å; A1082-H1086 WeakPolarHBondContact O-CB 3.46Å; A1082-H1086 PolarHBondContact O-N 2.89Å; A1082-H1086 VanDerWaalsContact O-N 3.08Å; A1082-H1086 PolarHBondContact O-ND1 3.26Å; A1082-H1086 VanDerWaalsContact O-ND1 3.11Å
1083S71.8Confident70.8Confident1 Ų146.4 Ų46.41%0.00722%0.222CC..Hα-helixtrans-71.7-37.9-179.366.50000113.5F1079 L1080 Q1081 C1087 W1091F1079-S1083 VanDerWaalsContact O-CB 3.28Å; F1079-S1083 WeakPolarHBondContact O-CB 3.26Å; F1079-S1083 PolarHBondContact O-N 3.27Å; F1079-S1083 PolarHBondContact O-OG 2.7Å; L1080-S1083 PolarHBondContact O-N 3.16Å; L1080-S1083 PolarHBondContact O-OG 2.67Å; Q1081-S1083 PolarHBondContact O-N 3.33Å; S1083-C1087 CarbonylContact O-C 3.51Å; S1083-C1087 VanDerWaalsContact O-C 3.29Å; S1083-C1087 VanDerWaalsContact O-CA 3.32Å; S1083-C1087 WeakPolarHBondContact O-CA 3.1Å; S1083-C1087 WeakPolarHBondContact O-CB 3.2Å; S1083-C1087 PolarHBondContact O-N 3.45Å; S1083-W1091 WeakPolarHBondContact OG-CZ2 3.42Å; S1083-W1091 PolarHBondContact OG-NE1 3.16Å
1084C69.2Low70.3Confident2 Ų248.8 Ų48.81%0.01424%0.242CC..Hα-helixtrans-65.4-46.2174.5-77.90000111.4L1080 Q1081 I1132 E1136L1080-C1084 WeakPolarHBondContact O-CB 3.04Å; L1080-C1084 PolarHBondContact O-N 3.1Å; L1080-C1084 PolarHBondContact O-SG 3.04Å; Q1081-C1084 PolarHBondContact O-N 3.4Å; C1084-I1132 HydrophobicContact CB-CG2 4.48Å; C1084-E1136 HydrophobicContact CB-CG 3.86Å; C1084-E1136 VanDerWaalsContact CB-OE1 3.26Å; C1084-E1136 WeakPolarHBondContact CB-OE1 3.46Å
1085E68.4Low69.9Low107 Ų10744 Ų4450%0.522%0.221SC..Hα-helixtrans-67.6-43.9-179-73.4174.8-172.100113.2Q1081Q1081-E1085 VanDerWaalsContact CG-OE1 3.29Å; Q1081-E1085 WeakPolarHBondContact CG-OE1 3.26Å; Q1081-E1085 PolarHBondContact NE2-OE1 3.35Å; Q1081-E1085 WeakPolarHBondContact O-CB 3.31Å; Q1081-E1085 WeakPolarHBondContact O-CG 3.47Å; Q1081-E1085 PolarHBondContact O-N 3.25Å
1086H65.1Low69.6Low89 Ų8944.1 Ų44.141%0.41222%0.221SC..Hα-helixtrans-105.1-17.1-167.4-59.576.9000114A1082A1082-H1086 WeakPolarHBondContact O-CB 3.46Å; A1082-H1086 PolarHBondContact O-N 2.89Å; A1082-H1086 VanDerWaalsContact O-N 3.08Å; A1082-H1086 PolarHBondContact O-ND1 3.26Å; A1082-H1086 VanDerWaalsContact O-ND1 3.11Å
1087C63.3Low68.9Low22 Ų2245 Ų4515%0.14923%0.227CC..  trans-14059.2-168.9-740000114.3I1032 S1083 E1089 L1090I1032-C1087 WeakPolarHBondContact CD1-SG 3.46Å; S1083-C1087 CarbonylContact O-C 3.51Å; S1083-C1087 VanDerWaalsContact O-C 3.29Å; S1083-C1087 VanDerWaalsContact O-CA 3.32Å; S1083-C1087 WeakPolarHBondContact O-CA 3.1Å; S1083-C1087 WeakPolarHBondContact O-CB 3.2Å; S1083-C1087 PolarHBondContact O-N 3.45Å; C1087-E1089 PolarHBondContact O-N 2.9Å; C1087-L1090 HydrophobicContact CB-CD1 3.57Å; C1087-L1090 HydrophobicContact CB-CG 4.11Å; C1087-L1090 PolarHBondContact O-N 3.15Å
1088K63.5Low68.5Low115 Ų11546.2 Ų46.250%0.523%0.231SC..G310 helixtrans-56.9-23.5-179.7-62.4-177.8-179.9179.50115.1L1090K1088-L1090 VanDerWaalsContact C-N 3.29Å; K1088-L1090 PolarHBondContact O-N 2.79Å
1089E64.2Low68.2Low163 Ų16344 Ų4476%0.76222%0.219SC*.G310 helixtrans-70.6-18.9-179.5-63.1-176.3174.100114.2K1037 C1087K1037-E1089 IonicContact NZ-OE2 2.68Å; K1037-E1089 PolarHBondContact NZ-OE2 3.45Å; C1087-E1089 PolarHBondContact O-N 2.9Å
1090L63.7Low67.6Low16 Ų1643.5 Ų43.58%0.08422%0.217CC..G310 helixtrans-81.1-22-173.1-66.6173.4000113.7L1040 L1041 C1087 K1088L1040-L1090 HydrophobicContact CB-CD1 4.18Å; L1040-L1090 HydrophobicContact CB-CD2 4.03Å; L1040-L1090 HydrophobicContact CD1-CD1 4.22Å; L1041-L1090 HydrophobicContact CD2-CD2 3.86Å; L1041-L1090 HydrophobicContact CG-CD2 4.01Å; C1087-L1090 HydrophobicContact CB-CD1 3.57Å; C1087-L1090 HydrophobicContact CB-CG 4.11Å; C1087-L1090 PolarHBondContact O-N 3.15Å; K1088-L1090 VanDerWaalsContact C-N 3.29Å; K1088-L1090 PolarHBondContact O-N 2.79Å
1091W68.9Low67.3Low23 Ų2346.8 Ų46.89%0.08724%0.237CC..  trans-99.3121.7-167.7-69.2103.8000112.5I1049 L1080 S1083 A1095 L1096 I1099I1049-W1091 HydrophobicContact CD1-CH2 3.61Å; I1049-W1091 HydrophobicContact CD1-CZ3 3.44Å; I1049-W1091 VanDerWaalsContact CD1-CZ3 3.44Å; L1080-W1091 HydrophobicContact CD2-CH2 3.42Å; L1080-W1091 VanDerWaalsContact CD2-CH2 3.42Å; L1080-W1091 HydrophobicContact CD2-CZ2 3.61Å; L1080-W1091 HydrophobicContact CD2-CZ3 4.46Å; S1083-W1091 WeakPolarHBondContact OG-CZ2 3.42Å; S1083-W1091 PolarHBondContact OG-NE1 3.16Å; W1091-A1095 HydrophobicContact CE3-CB 4.48Å; W1091-L1096 HydrophobicContact CB-CD1 4.05Å; W1091-L1096 HydrophobicContact CB-CD2 4.45Å; W1091-L1096 HydrophobicContact CB-CG 4.2Å; W1091-L1096 HydrophobicContact CD2-CD2 3.81Å; W1091-L1096 HydrophobicContact CD2-CG 4.36Å; W1091-L1096 HydrophobicContact CE3-CD2 3.46Å; W1091-L1096 VanDerWaalsContact CE3-CD2 3.46Å; W1091-L1096 HydrophobicContact CE3-CG 3.92Å; W1091-L1096 HydrophobicContact CG-CD2 4.25Å; W1091-L1096 HydrophobicContact CZ3-CD2 3.96Å; W1091-I1099 HydrophobicContact CE3-CD1 4.48Å; W1091-I1099 HydrophobicContact CH2-CD1 3.83Å; W1091-I1099 HydrophobicContact CZ3-CD1 3.43Å; W1091-I1099 VanDerWaalsContact CZ3-CD1 3.43Å
1092T67.3Low67.1Low75 Ų7543.9 Ų43.946%0.4623%0.226SC..  trans-89.6145.8167.362.90000110.7A1094 A1095 L1096T1092-A1094 PolarHBondContact O-N 3.09Å; T1092-A1094 VanDerWaalsContact O-N 3.13Å; T1092-A1095 PolarHBondContact O-N 3.39Å; T1092-A1095 WeakPolarHBondContact OG1-CB 3.34Å; T1092-A1095 PolarHBondContact OG1-N 3.39Å; T1092-L1096 PolarHBondContact O-N 2.96Å
1093N64.8Low67Low56 Ų5643.8 Ų43.830%0.29923%0.225SC..Hα-helixtrans-55.9-30.9175.1-86.5-36.7000113.1N1097 T1138 F1139 T1140N1093-N1097 WeakPolarHBondContact O-CB 3.38Å; N1093-N1097 PolarHBondContact O-N 3.36Å; N1093-N1097 VanDerWaalsContact O-N 3.16Å; N1093-N1097 PolarHBondContact O-ND2 2.86Å; N1093-T1138 PolarHBondContact ND2-O 2.79Å; N1093-T1138 PolarHBondContact OD1-O 2.76Å; N1093-F1139 VanDerWaalsContact OD1-CA 3.3Å; N1093-F1139 WeakPolarHBondContact OD1-CA 3.29Å; N1093-T1140 VanDerWaalsContact CG-OG1 3.32Å; N1093-T1140 PolarHBondContact ND2-OG1 3.2Å; N1093-T1140 VanDerWaalsContact ND2-OG1 3.08Å; N1093-T1140 PolarHBondContact OD1-N 2.7Å; N1093-T1140 VanDerWaalsContact OD1-N 3.1Å
1094A64.7Low66.6Low51 Ų5146.1 Ų46.142%0.42124%0.236SC..Hα-helixtrans-67.2-42.217500000112.6T1092 R1098T1092-A1094 PolarHBondContact O-N 3.09Å; T1092-A1094 VanDerWaalsContact O-N 3.13Å; A1094-R1098 WeakPolarHBondContact O-CG 3.35Å; A1094-R1098 PolarHBondContact O-N 2.95Å
1095A66.9Low66.5Low0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-66-46.8179.300000112I1049 W1091 T1092 N1097 R1098 I1099I1049-A1095 HydrophobicContact CG2-CB 4.18Å; W1091-A1095 HydrophobicContact CE3-CB 4.48Å; T1092-A1095 PolarHBondContact O-N 3.39Å; T1092-A1095 WeakPolarHBondContact OG1-CB 3.34Å; T1092-A1095 PolarHBondContact OG1-N 3.39Å; A1095-N1097 VanDerWaalsContact C-N 3.33Å; A1095-N1097 PolarHBondContact O-N 3.31Å; A1095-R1098 PolarHBondContact O-N 3.38Å; A1095-I1099 WeakPolarHBondContact O-CG1 3.31Å; A1095-I1099 PolarHBondContact O-N 2.96Å
1096L68.1Low66.4Low1 Ų143.8 Ų43.81%0.00523%0.231CC..Hα-helixtrans-62.1-39.2177.2-68.7173.3000112.1W1091 T1092 R1098 I1099 L1100 V1133 F1139W1091-L1096 HydrophobicContact CB-CD1 4.05Å; W1091-L1096 HydrophobicContact CB-CD2 4.45Å; W1091-L1096 HydrophobicContact CB-CG 4.2Å; W1091-L1096 HydrophobicContact CD2-CD2 3.81Å; W1091-L1096 HydrophobicContact CD2-CG 4.36Å; W1091-L1096 HydrophobicContact CE3-CD2 3.46Å; W1091-L1096 VanDerWaalsContact CE3-CD2 3.46Å; W1091-L1096 HydrophobicContact CE3-CG 3.92Å; W1091-L1096 HydrophobicContact CG-CD2 4.25Å; W1091-L1096 HydrophobicContact CZ3-CD2 3.96Å; T1092-L1096 PolarHBondContact O-N 2.96Å; L1096-R1098 VanDerWaalsContact C-N 3.34Å; L1096-R1098 PolarHBondContact O-N 2.9Å; L1096-I1099 PolarHBondContact O-N 3.47Å; L1096-L1100 WeakPolarHBondContact O-CB 3.21Å; L1096-L1100 PolarHBondContact O-N 3.36Å; L1096-V1133 HydrophobicContact CB-CG1 4.27Å; L1096-V1133 HydrophobicContact CD2-CG1 4.29Å; L1096-F1139 HydrophobicContact CB-CD2 3.62Å; L1096-F1139 HydrophobicContact CB-CE2 3.65Å; L1096-F1139 HydrophobicContact CD1-CD2 4.04Å; L1096-F1139 HydrophobicContact CG-CD2 4.49Å
1097N65.4Low66.4Low24 Ų2440.8 Ų40.813%0.12822%0.218CC..Hα-helixtrans-63.8-37176.8-86.2-55.4000112.3N1093 A1095 L1100 T1101 F1139 T1140 F1141N1093-N1097 WeakPolarHBondContact O-CB 3.38Å; N1093-N1097 PolarHBondContact O-N 3.36Å; N1093-N1097 VanDerWaalsContact O-N 3.16Å; N1093-N1097 PolarHBondContact O-ND2 2.86Å; A1095-N1097 VanDerWaalsContact C-N 3.33Å; A1095-N1097 PolarHBondContact O-N 3.31Å; N1097-L1100 PolarHBondContact O-N 3.42Å; N1097-T1101 WeakPolarHBondContact O-CG2 3.42Å; N1097-T1101 PolarHBondContact O-N 2.74Å; N1097-T1101 VanDerWaalsContact O-N 3.07Å; N1097-T1101 PolarHBondContact O-OG1 2.8Å; N1097-F1139 HydrophobicContact CB-CE2 4.47Å; N1097-F1139 WeakPolarHBondContact OD1-CZ 3.36Å; N1097-T1140 PolarHBondContact ND2-O 3.27Å; N1097-F1141 WeakPolarHBondContact OD1-CD2 3.48Å
1098R69Low66.4Low80 Ų8044.1 Ų44.130%0.30224%0.238SC..Hα-helixtrans-69.5-35.9177.3-70.1-179.1-170.8-173.611.8112.9S1046 E1050 A1094 A1095 L1096 T1101 S1102S1046-R1098 VanDerWaalsContact C-NH1 3.32Å; S1046-R1098 PolarHBondContact O-NH1 3.42Å; S1046-R1098 PolarHBondContact OG-NH1 3.38Å; S1046-R1098 PolarHBondContact OG-NH2 3.35Å; E1050-R1098 WeakPolarHBondContact OE2-CD 3.48Å; E1050-R1098 IonicContact OE2-CZ 3.84Å; E1050-R1098 IonicContact OE2-NE 3.5Å; E1050-R1098 IonicContact OE2-NH1 2.93Å; E1050-R1098 PolarHBondContact OE2-NH1 2.79Å; A1094-R1098 WeakPolarHBondContact O-CG 3.35Å; A1094-R1098 PolarHBondContact O-N 2.95Å; A1095-R1098 PolarHBondContact O-N 3.38Å; L1096-R1098 VanDerWaalsContact C-N 3.34Å; L1096-R1098 PolarHBondContact O-N 2.9Å; R1098-T1101 PolarHBondContact O-OG1 3.38Å; R1098-T1101 VanDerWaalsContact O-OG1 3.08Å; R1098-S1102 PolarHBondContact O-N 2.87Å; R1098-S1102 PolarHBondContact O-OG 3.45Å
1099I68.4Low66.4Low1 Ų143.4 Ų43.41%0.00524%0.235CC..Hα-helixtrans-63.2-49.4172.7-66.1167.3000109.4I1049 T1053 L1080 W1091 A1095 L1096 T1101 S1102 F1103 V1133I1049-I1099 HydrophobicContact CD1-CD1 3.98Å; I1049-I1099 HydrophobicContact CG1-CD1 4.13Å; I1049-I1099 HydrophobicContact CG1-CG1 4.41Å; T1053-I1099 HydrophobicContact CG2-CB 4.47Å; T1053-I1099 HydrophobicContact CG2-CG1 3.8Å; L1080-I1099 HydrophobicContact CD2-CD1 4.38Å; W1091-I1099 HydrophobicContact CE3-CD1 4.48Å; W1091-I1099 HydrophobicContact CH2-CD1 3.83Å; W1091-I1099 HydrophobicContact CZ3-CD1 3.43Å; W1091-I1099 VanDerWaalsContact CZ3-CD1 3.43Å; A1095-I1099 WeakPolarHBondContact O-CG1 3.31Å; A1095-I1099 PolarHBondContact O-N 2.96Å; L1096-I1099 PolarHBondContact O-N 3.47Å; I1099-T1101 PolarHBondContact O-N 3.17Å; I1099-S1102 PolarHBondContact O-N 3.42Å; I1099-F1103 HydrophobicContact CG2-CD2 3.72Å; I1099-F1103 HydrophobicContact CG2-CE2 3.97Å; I1099-F1103 WeakPolarHBondContact O-CD2 3.23Å; I1099-F1103 PolarHBondContact O-N 3.18Å; I1099-V1133 HydrophobicContact CG2-CG2 4.01Å
1100L67.3Low66.3Low3 Ų336.7 Ų36.72%0.01620%0.204CC..Hα-helixtrans-60.7-46.5-177.1-172.567.8000112.2L1096 N1097 S1102 Q1104 V1133 I1134 F1139 F1141L1096-L1100 WeakPolarHBondContact O-CB 3.21Å; L1096-L1100 PolarHBondContact O-N 3.36Å; N1097-L1100 PolarHBondContact O-N 3.42Å; L1100-S1102 VanDerWaalsContact C-N 3.34Å; L1100-S1102 PolarHBondContact O-N 2.71Å; L1100-Q1104 HydrophobicContact CD1-CG 4.2Å; L1100-Q1104 HydrophobicContact CG-CG 4.24Å; L1100-Q1104 WeakPolarHBondContact O-CB 3.37Å; L1100-Q1104 WeakPolarHBondContact O-CG 3.46Å; L1100-Q1104 PolarHBondContact O-N 3.42Å; L1100-V1133 HydrophobicContact CB-CG1 4.23Å; L1100-V1133 HydrophobicContact CD1-CG1 4.39Å; L1100-I1134 HydrophobicContact CD1-CD1 4.33Å; L1100-I1134 HydrophobicContact CD1-CG1 4.11Å; L1100-F1139 HydrophobicContact CD2-CE1 3.88Å; L1100-F1139 HydrophobicContact CD2-CZ 3.54Å; L1100-F1141 HydrophobicContact CD2-CD2 3.9Å; L1100-F1141 HydrophobicContact CD2-CE2 3.82Å
1101T68Low66.1Low70 Ų7038.6 Ų38.643%0.42921%0.214SC..Hα-helixtrans-62.9-39.6179.852.20000112.6N1097 R1098 I1099 S1105N1097-T1101 WeakPolarHBondContact O-CG2 3.42Å; N1097-T1101 PolarHBondContact O-N 2.74Å; N1097-T1101 VanDerWaalsContact O-N 3.07Å; N1097-T1101 PolarHBondContact O-OG1 2.8Å; R1098-T1101 PolarHBondContact O-OG1 3.38Å; R1098-T1101 VanDerWaalsContact O-OG1 3.08Å; I1099-T1101 PolarHBondContact O-N 3.17Å; T1101-S1105 PolarHBondContact O-N 3.33Å; T1101-S1105 VanDerWaalsContact O-N 3.11Å
1102S70Confident65.5Low20 Ų2042 Ų4214%0.1424%0.24CC..Hα-helixtrans-67.3-49.7179.5-58.50000111.6R1098 I1099 L1100 S1105 L1106R1098-S1102 PolarHBondContact O-N 2.87Å; R1098-S1102 PolarHBondContact O-OG 3.45Å; I1099-S1102 PolarHBondContact O-N 3.42Å; L1100-S1102 VanDerWaalsContact C-N 3.34Å; L1100-S1102 PolarHBondContact O-N 2.71Å; S1102-S1105 PolarHBondContact O-N 3.04Å; S1102-S1105 PolarHBondContact O-OG 2.76Å; S1102-L1106 PolarHBondContact O-N 3.38Å; S1102-L1106 VanDerWaalsContact O-N 3.14Å
1103F68.4Low64.9Low1 Ų145.1 Ų45.10%0.00425%0.25CS..Hα-helixtrans-72-31179.1-78.7-73.7000113.5T1053 I1056 L1073 F1076 I1099 S1105 L1106 L1107 V1126 I1129 T1130T1053-F1103 HydrophobicContact CG2-CE2 4.27Å; I1056-F1103 HydrophobicContact CG2-CZ 4.38Å; L1073-F1103 HydrophobicContact CD2-CE1 4.12Å; F1076-F1103 HydrophobicContact CD1-CE2 4.34Å; F1076-F1103 HydrophobicContact CD1-CZ 4.05Å; F1076-F1103 AromaticContact CE1-CE2 3.72Å; F1076-F1103 HydrophobicContact CE1-CE2 3.72Å; F1076-F1103 AromaticContact CE1-CZ 3.87Å; F1076-F1103 HydrophobicContact CE1-CZ 3.87Å; I1099-F1103 HydrophobicContact CG2-CD2 3.72Å; I1099-F1103 HydrophobicContact CG2-CE2 3.97Å; I1099-F1103 WeakPolarHBondContact O-CD2 3.23Å; I1099-F1103 PolarHBondContact O-N 3.18Å; F1103-S1105 VanDerWaalsContact C-N 3.34Å; F1103-L1106 HydrophobicContact CD1-CD2 4.09Å; F1103-L1106 HydrophobicContact CE1-CD2 4.37Å; F1103-L1106 PolarHBondContact O-N 3.29Å; F1103-L1107 WeakPolarHBondContact O-CB 3.44Å; F1103-L1107 PolarHBondContact O-N 2.94Å; F1103-V1126 HydrophobicContact CD1-CG1 4.07Å; F1103-I1129 HydrophobicContact CD1-CG2 4.39Å; F1103-I1129 HydrophobicContact CD2-CG2 3.85Å; F1103-I1129 HydrophobicContact CE1-CD1 4.03Å; F1103-I1129 HydrophobicContact CE1-CG2 4.42Å; F1103-I1129 HydrophobicContact CE2-CG2 3.91Å; F1103-I1129 HydrophobicContact CG-CG2 4.11Å; F1103-I1129 HydrophobicContact CZ-CD1 4.17Å; F1103-I1129 HydrophobicContact CZ-CG2 4.19Å; F1103-T1130 HydrophobicContact CB-CG2 3.92Å
1104Q64.2Low64.1Low49 Ų4944.8 Ų44.823%0.22925%0.251CS..Hα-helixtrans-62.4-42170.6-79.2177-14.100111.3L1100 L1106 L1107 V1108L1100-Q1104 HydrophobicContact CD1-CG 4.2Å; L1100-Q1104 HydrophobicContact CG-CG 4.24Å; L1100-Q1104 WeakPolarHBondContact O-CB 3.37Å; L1100-Q1104 WeakPolarHBondContact O-CG 3.46Å; L1100-Q1104 PolarHBondContact O-N 3.42Å; Q1104-L1106 VanDerWaalsContact C-N 3.3Å; Q1104-L1106 PolarHBondContact O-N 3.14Å; Q1104-L1107 PolarHBondContact O-N 3.08Å; Q1104-V1108 VanDerWaalsContact O-CG2 3.31Å; Q1104-V1108 WeakPolarHBondContact O-CG2 3.14Å; Q1104-V1108 PolarHBondContact O-N 3.45Å
1105S66.8Low63.3Low60 Ų6047.5 Ų47.542%0.4227%0.274SS..Hα-helixtrans-63.5-36.9175.8810000112.5T1101 S1102 F1103 K1109T1101-S1105 PolarHBondContact O-N 3.33Å; T1101-S1105 VanDerWaalsContact O-N 3.11Å; S1102-S1105 PolarHBondContact O-N 3.04Å; S1102-S1105 PolarHBondContact O-OG 2.76Å; F1103-S1105 VanDerWaalsContact C-N 3.34Å; S1105-K1109 VanDerWaalsContact O-CG 3.32Å; S1105-K1109 WeakPolarHBondContact O-CG 3.39Å; S1105-K1109 PolarHBondContact O-N 3.09Å
1106L67.1Low62.6Low1 Ų150.4 Ų50.41%0.00529%0.294CS..Hα-helixtrans-68.7-45.5175.9-17769.9000111.3C1060 H1061 S1102 F1103 Q1104 V1108 K1109 L1110 V1126C1060-L1106 HydrophobicContact CB-CD1 4.09Å; C1060-L1106 HydrophobicContact CB-CD2 4.29Å; H1061-L1106 WeakPolarHBondContact CE1-CD1 3.38Å; S1102-L1106 PolarHBondContact O-N 3.38Å; S1102-L1106 VanDerWaalsContact O-N 3.14Å; F1103-L1106 HydrophobicContact CD1-CD2 4.09Å; F1103-L1106 HydrophobicContact CE1-CD2 4.37Å; F1103-L1106 PolarHBondContact O-N 3.29Å; Q1104-L1106 VanDerWaalsContact C-N 3.3Å; Q1104-L1106 PolarHBondContact O-N 3.14Å; L1106-V1108 PolarHBondContact O-N 3.23Å; L1106-K1109 PolarHBondContact O-N 2.84Å; L1106-L1110 HydrophobicContact CD1-CD1 4.28Å; L1106-L1110 HydrophobicContact CD1-CG 4.33Å; L1106-L1110 HydrophobicContact CD2-CD1 4.39Å; L1106-L1110 HydrophobicContact CG-CD1 3.87Å; L1106-L1110 HydrophobicContact CG-CG 4.31Å; L1106-L1110 WeakPolarHBondContact O-CB 3.45Å; L1106-L1110 WeakPolarHBondContact O-CG 3.33Å; L1106-L1110 PolarHBondContact O-N 2.87Å; L1106-V1126 HydrophobicContact CD2-CG1 4.31Å; L1106-V1126 HydrophobicContact CD2-CG2 3.87Å
1107L64.8Low61.9Low25 Ų2559 Ų5913%0.13133%0.334CS..Hα-helixtrans-61-43.8179.3-167.6111.9000111.2F1103 Q1104 K1109 I1111 V1126F1103-L1107 WeakPolarHBondContact O-CB 3.44Å; F1103-L1107 PolarHBondContact O-N 2.94Å; Q1104-L1107 PolarHBondContact O-N 3.08Å; L1107-K1109 PolarHBondContact O-N 3.45Å; L1107-I1111 HydrophobicContact CD2-CD1 3.66Å; L1107-I1111 HydrophobicContact CG-CD1 3.78Å; L1107-I1111 WeakPolarHBondContact O-CB 3.43Å; L1107-I1111 WeakPolarHBondContact O-CD1 3.45Å; L1107-I1111 WeakPolarHBondContact O-CG1 3.27Å; L1107-I1111 PolarHBondContact O-N 2.9Å; L1107-V1126 HydrophobicContact CB-CG1 4.09Å; L1107-V1126 HydrophobicContact CD1-CB 4.36Å; L1107-V1126 HydrophobicContact CD1-CG1 3.79Å
1108V62.5Low61.4Low93 Ų9361.1 Ų61.156%0.56435%0.351SS*.Hα-helixtrans-61.7-42.4176171.90000111.5Q1104 L1106 S1112Q1104-V1108 VanDerWaalsContact O-CG2 3.31Å; Q1104-V1108 WeakPolarHBondContact O-CG2 3.14Å; Q1104-V1108 PolarHBondContact O-N 3.45Å; L1106-V1108 PolarHBondContact O-N 3.23Å; V1108-S1112 WeakPolarHBondContact O-CB 3.32Å; V1108-S1112 PolarHBondContact O-N 3.44Å; V1108-S1112 VanDerWaalsContact O-N 3.13Å; V1108-S1112 PolarHBondContact O-OG 3.28Å
1109K64.6Low60.9Low100 Ų10059.7 Ų59.744%0.43535%0.349SS..Hα-helixtrans-66.3-49.5178.1-75.2176.8179.8-176.40112.6S1105 L1106 L1107 I1111 S1112 E1113S1105-K1109 VanDerWaalsContact O-CG 3.32Å; S1105-K1109 WeakPolarHBondContact O-CG 3.39Å; S1105-K1109 PolarHBondContact O-N 3.09Å; L1106-K1109 PolarHBondContact O-N 2.84Å; L1107-K1109 PolarHBondContact O-N 3.45Å; K1109-I1111 VanDerWaalsContact C-N 3.31Å; K1109-I1111 PolarHBondContact O-N 3.06Å; K1109-S1112 PolarHBondContact O-N 3.45Å; K1109-S1112 PolarHBondContact O-OG 3.16Å; K1109-E1113 PolarHBondContact O-N 3.49Å; K1109-E1113 VanDerWaalsContact O-N 3.15Å
1110L62.1Low60.5Low21 Ų2164 Ų6411%0.1137%0.372CS..Hα-helixtrans-58.9-42.3178.7-71172.8000111.7L1106 S1112 E1113 C1114 L1122 I1123 V1126L1106-L1110 HydrophobicContact CD1-CD1 4.28Å; L1106-L1110 HydrophobicContact CD1-CG 4.33Å; L1106-L1110 HydrophobicContact CD2-CD1 4.39Å; L1106-L1110 HydrophobicContact CG-CD1 3.87Å; L1106-L1110 HydrophobicContact CG-CG 4.31Å; L1106-L1110 WeakPolarHBondContact O-CB 3.45Å; L1106-L1110 WeakPolarHBondContact O-CG 3.33Å; L1106-L1110 PolarHBondContact O-N 2.87Å; L1110-S1112 VanDerWaalsContact C-N 3.3Å; L1110-S1112 PolarHBondContact O-N 2.98Å; L1110-E1113 PolarHBondContact O-N 3.35Å; L1110-C1114 PolarHBondContact O-N 3.47Å; L1110-C1114 PolarHBondContact O-SG 2.98Å; L1110-L1122 HydrophobicContact CD1-CD2 3.75Å; L1110-L1122 HydrophobicContact CD1-CG 4.34Å; L1110-L1122 HydrophobicContact CD2-CD2 3.65Å; L1110-L1122 HydrophobicContact CG-CD2 4.37Å; L1110-I1123 HydrophobicContact CB-CG1 4.17Å; L1110-V1126 HydrophobicContact CD1-CG2 4.26Å
1111I58.8Low60.2Low57 Ų5766.6 Ų66.629%0.29239%0.389SS..Hα-helixtrans-66.7-32.1177.5-67.3168.1000111.7L1107 K1109L1107-I1111 HydrophobicContact CD2-CD1 3.66Å; L1107-I1111 HydrophobicContact CG-CD1 3.78Å; L1107-I1111 WeakPolarHBondContact O-CB 3.43Å; L1107-I1111 WeakPolarHBondContact O-CD1 3.45Å; L1107-I1111 WeakPolarHBondContact O-CG1 3.27Å; L1107-I1111 PolarHBondContact O-N 2.9Å; K1109-I1111 VanDerWaalsContact C-N 3.31Å; K1109-I1111 PolarHBondContact O-N 3.06Å
1112S56.3Low60.1Low93 Ų9363.5 Ų63.565%0.6537%0.37SS*.Hα-helixtrans-75.9-24.5179.269.10000114.5V1108 K1109 L1110V1108-S1112 WeakPolarHBondContact O-CB 3.32Å; V1108-S1112 PolarHBondContact O-N 3.44Å; V1108-S1112 VanDerWaalsContact O-N 3.13Å; V1108-S1112 PolarHBondContact O-OG 3.28Å; K1109-S1112 PolarHBondContact O-N 3.45Å; K1109-S1112 PolarHBondContact O-OG 3.16Å; L1110-S1112 VanDerWaalsContact C-N 3.3Å; L1110-S1112 PolarHBondContact O-N 2.98Å
1113E55.2Low59.7Low142 Ų14264.1 Ų64.166%0.66437%0.371SS*.Hα-helixtrans-100.5-16.8-174.6-71.2177172.800114.1K1109 L1110 A1115K1109-E1113 PolarHBondContact O-N 3.49Å; K1109-E1113 VanDerWaalsContact O-N 3.15Å; L1110-E1113 PolarHBondContact O-N 3.35Å; E1113-A1115 PolarHBondContact O-N 2.76Å
1114C48Very low59.3Low48 Ų4867.8 Ų67.832%0.32439%0.385SS..  trans-74.5115.1-171.2-78.70000114.8L1110 I1123L1110-C1114 PolarHBondContact O-N 3.47Å; L1110-C1114 PolarHBondContact O-SG 2.98Å; C1114-I1123 HydrophobicContact CB-CD1 4.43Å
1115A47.9Very low59.2Low108 Ų10865.6 Ų65.689%0.89338%0.375SS*.  trans-118.70.3165.200000113.5E1113E1113-A1115 PolarHBondContact O-N 2.76Å
1116S52.8Low59.1Low62 Ų6262.8 Ų62.843%0.43436%0.355SS..SBendtrans-125.1143.2-172.237.40000114S1118 D1119S1116-S1118 PolarHBondContact O-N 2.7Å; S1116-D1119 PolarHBondContact OG-OD2 3.39Å
1117E52.2Low58.7Low181 Ų18163.8 Ų63.885%0.84637%0.367SS*.G310 helixtrans-63.8-20.7179.9-70.2179165.400114.3D1119E1117-D1119 VanDerWaalsContact C-N 3.31Å; E1117-D1119 PolarHBondContact O-N 3.44Å
1118S55.1Low58.6Low68 Ų6863.5 Ų63.548%0.47637%0.366SS..G310 helixtrans-68.3-23.3-175.352.20000114.9S1116 P1121S1116-S1118 PolarHBondContact O-N 2.7Å; S1118-P1121 WeakPolarHBondContact O-CD 3.43Å
1119D58.9Low58.7Low50 Ų5059.1 Ų59.127%0.26734%0.339SS..G310 helixtrans-95.4-4.4-171.5-57.2-50.2000113.5S1116 E1117 L1122 I1123S1116-D1119 PolarHBondContact OG-OD2 3.39Å; E1117-D1119 VanDerWaalsContact C-N 3.31Å; E1117-D1119 PolarHBondContact O-N 3.44Å; D1119-L1122 WeakPolarHBondContact O-CB 3.43Å; D1119-L1122 PolarHBondContact O-N 2.76Å; D1119-I1123 PolarHBondContact O-N 3.47Å
1120L59.6Low58.6Low92 Ų9255.3 Ų55.348%0.48232%0.324SS..Hα-helixtrans-56.1-44.9179.2-126.185.6000114.1L1122 I1123 Y1124 M1187L1120-L1122 PolarHBondContact O-N 3.37Å; L1120-I1123 PolarHBondContact O-N 2.85Å; L1120-Y1124 PolarHBondContact O-N 3.1Å; L1120-M1187 HydrophobicContact CD2-SD 4.46Å
1121P62.2Low58.5Low57 Ų5756.6 Ų56.637%0.3733%0.329SS..Hα-helixtrans-63.6-29.4179.7-22.333.9000113L1070 S1118 I1125L1070-P1121 HydrophobicContact CD1-CB 4.39Å; L1070-P1121 HydrophobicContact CD2-CB 3.95Å; S1118-P1121 WeakPolarHBondContact O-CD 3.43Å; P1121-I1125 WeakPolarHBondContact O-CG1 3.47Å; P1121-I1125 PolarHBondContact O-N 3.06Å
1122L64.2Low58.7Low5 Ų554.8 Ų54.83%0.02632%0.32CS..Hα-helixtrans-71.2-46.9178.2-162.886000110.7K1069 L1073 L1110 D1119 L1120 Y1124 I1125 V1126K1069-L1122 HydrophobicContact CB-CD1 4.05Å; L1073-L1122 HydrophobicContact CD1-CD1 3.48Å; L1073-L1122 VanDerWaalsContact CD1-CD1 3.48Å; L1073-L1122 HydrophobicContact CD1-CG 4.2Å; L1110-L1122 HydrophobicContact CD1-CD2 3.75Å; L1110-L1122 HydrophobicContact CD1-CG 4.34Å; L1110-L1122 HydrophobicContact CD2-CD2 3.65Å; L1110-L1122 HydrophobicContact CG-CD2 4.37Å; D1119-L1122 WeakPolarHBondContact O-CB 3.43Å; D1119-L1122 PolarHBondContact O-N 2.76Å; L1120-L1122 PolarHBondContact O-N 3.37Å; L1122-Y1124 VanDerWaalsContact C-N 3.25Å; L1122-Y1124 PolarHBondContact O-N 3.07Å; L1122-I1125 PolarHBondContact O-N 3.43Å; L1122-V1126 VanDerWaalsContact O-CG2 3.3Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.44Å; L1122-V1126 PolarHBondContact O-N 2.94Å
1123I62Low59.1Low34 Ų3450.4 Ų50.417%0.17429%0.289CS..Hα-helixtrans-58.8-41.9175.7-66.1170.9000110.3L1110 C1114 D1119 L1120 G1127L1110-I1123 HydrophobicContact CB-CG1 4.17Å; C1114-I1123 HydrophobicContact CB-CD1 4.43Å; D1119-I1123 PolarHBondContact O-N 3.47Å; L1120-I1123 PolarHBondContact O-N 2.85Å; I1123-G1127 PolarHBondContact O-N 2.89Å
1124Y59.9Low59.3Low77 Ų7745.1 Ų45.130%0.30227%0.265SS..Hα-helixtrans-59.7-51.4178.8-177-105.4000112.6L1120 L1122 V1126 G1127 T1128 I1198L1120-Y1124 PolarHBondContact O-N 3.1Å; L1122-Y1124 VanDerWaalsContact C-N 3.25Å; L1122-Y1124 PolarHBondContact O-N 3.07Å; Y1124-V1126 PolarHBondContact O-N 3.34Å; Y1124-G1127 PolarHBondContact O-N 3.04Å; Y1124-T1128 HydrophobicContact CE1-CG2 4.48Å; Y1124-T1128 WeakPolarHBondContact O-CG2 3.33Å; Y1124-T1128 PolarHBondContact O-N 2.91Å; Y1124-I1198 HydrophobicContact CE1-CD1 4.13Å; Y1124-I1198 HydrophobicContact CE2-CD1 4.44Å; Y1124-I1198 HydrophobicContact CE2-CG2 4.47Å; Y1124-I1198 WeakPolarHBondContact OH-CD1 3.42Å
1125I62.6Low59.6Low4 Ų445.3 Ų45.32%0.02127%0.267CS..Hα-helixtrans-66.8-41.5-178.7-62.7162.3000111L1070 L1073 K1074 P1121 L1122 G1127 T1128 I1129L1070-I1125 HydrophobicContact CD2-CD1 3.43Å; L1070-I1125 VanDerWaalsContact CD2-CD1 3.43Å; L1073-I1125 HydrophobicContact CB-CG2 3.72Å; K1074-I1125 HydrophobicContact CG-CD1 3.81Å; P1121-I1125 WeakPolarHBondContact O-CG1 3.47Å; P1121-I1125 PolarHBondContact O-N 3.06Å; L1122-I1125 PolarHBondContact O-N 3.43Å; I1125-G1127 VanDerWaalsContact C-N 3.27Å; I1125-G1127 PolarHBondContact O-N 3.2Å; I1125-T1128 WeakPolarHBondContact CA-OG1 3.44Å; I1125-T1128 PolarHBondContact O-N 3.01Å; I1125-T1128 VanDerWaalsContact O-N 3.15Å; I1125-T1128 PolarHBondContact O-OG1 3.26Å; I1125-I1129 HydrophobicContact CG2-CD1 4.15Å; I1125-I1129 WeakPolarHBondContact O-CG1 3.33Å; I1125-I1129 PolarHBondContact O-N 3.4Å
1126V65.4Low60Low0 Ų040.9 Ų40.90%023%0.228CC..Hα-helixtrans-61-40175.2175.30000110.8L1073 F1103 L1106 L1107 L1110 L1122 Y1124 I1129 T1130L1073-V1126 HydrophobicContact CD1-CG2 4.34Å; F1103-V1126 HydrophobicContact CD1-CG1 4.07Å; L1106-V1126 HydrophobicContact CD2-CG1 4.31Å; L1106-V1126 HydrophobicContact CD2-CG2 3.87Å; L1107-V1126 HydrophobicContact CB-CG1 4.09Å; L1107-V1126 HydrophobicContact CD1-CB 4.36Å; L1107-V1126 HydrophobicContact CD1-CG1 3.79Å; L1110-V1126 HydrophobicContact CD1-CG2 4.26Å; L1122-V1126 VanDerWaalsContact O-CG2 3.3Å; L1122-V1126 WeakPolarHBondContact O-CG2 3.44Å; L1122-V1126 PolarHBondContact O-N 2.94Å; Y1124-V1126 PolarHBondContact O-N 3.34Å; V1126-I1129 PolarHBondContact O-N 3.29Å; V1126-T1130 WeakPolarHBondContact O-CG2 3.45Å; V1126-T1130 PolarHBondContact O-N 3.48Å; V1126-T1130 PolarHBondContact O-OG1 3.4Å
1127G58.6Low60Low23 Ų2342.3 Ų42.324%0.23724%0.236CC..Hα-helixtrans-58.2-46.7172.300000112.6I1123 Y1124 I1125 I1129 T1130 F1131I1123-G1127 PolarHBondContact O-N 2.89Å; Y1124-G1127 PolarHBondContact O-N 3.04Å; I1125-G1127 VanDerWaalsContact C-N 3.27Å; I1125-G1127 PolarHBondContact O-N 3.2Å; G1127-I1129 PolarHBondContact O-N 2.85Å; G1127-T1130 PolarHBondContact O-N 3.04Å; G1127-T1130 PolarHBondContact O-OG1 2.91Å; G1127-F1131 PolarHBondContact O-N 3.27Å
1128T61.6Low60Low19 Ų1936.7 Ų36.712%0.11721%0.214CC..Hα-helixtrans-62-40.2177.160.80000112.8R1077 Y1124 I1125 T1130 F1131 I1132 I1198R1077-T1128 WeakPolarHBondContact CD-OG1 3.47Å; Y1124-T1128 HydrophobicContact CE1-CG2 4.48Å; Y1124-T1128 WeakPolarHBondContact O-CG2 3.33Å; Y1124-T1128 PolarHBondContact O-N 2.91Å; I1125-T1128 WeakPolarHBondContact CA-OG1 3.44Å; I1125-T1128 PolarHBondContact O-N 3.01Å; I1125-T1128 VanDerWaalsContact O-N 3.15Å; I1125-T1128 PolarHBondContact O-OG1 3.26Å; T1128-T1130 PolarHBondContact O-N 2.99Å; T1128-F1131 PolarHBondContact O-N 3.4Å; T1128-I1132 VanDerWaalsContact O-CG1 3.28Å; T1128-I1132 WeakPolarHBondContact O-CG1 3.37Å; T1128-I1132 PolarHBondContact O-N 2.71Å; T1128-I1198 HydrophobicContact CG2-CD1 4.34Å
1129I65.3Low59.8Low0 Ų033.9 Ų33.90%019%0.193CC..Hα-helixtrans-62.3-45.7176.7-67.6165.6000110.5L1073 F1076 R1077 L1080 F1103 I1125 V1126 G1127 F1131 I1132 V1133L1073-I1129 HydrophobicContact CD2-CD1 4.17Å; F1076-I1129 HydrophobicContact CD1-CD1 4.34Å; R1077-I1129 HydrophobicContact CB-CD1 4.4Å; R1077-I1129 HydrophobicContact CB-CG1 3.93Å; R1077-I1129 HydrophobicContact CG-CG1 4.3Å; L1080-I1129 HydrophobicContact CD1-CG2 3.74Å; F1103-I1129 HydrophobicContact CD1-CG2 4.39Å; F1103-I1129 HydrophobicContact CD2-CG2 3.85Å; F1103-I1129 HydrophobicContact CE1-CD1 4.03Å; F1103-I1129 HydrophobicContact CE1-CG2 4.42Å; F1103-I1129 HydrophobicContact CE2-CG2 3.91Å; F1103-I1129 HydrophobicContact CG-CG2 4.11Å; F1103-I1129 HydrophobicContact CZ-CD1 4.17Å; F1103-I1129 HydrophobicContact CZ-CG2 4.19Å; I1125-I1129 HydrophobicContact CG2-CD1 4.15Å; I1125-I1129 WeakPolarHBondContact O-CG1 3.33Å; I1125-I1129 PolarHBondContact O-N 3.4Å; V1126-I1129 PolarHBondContact O-N 3.29Å; G1127-I1129 PolarHBondContact O-N 2.85Å; I1129-F1131 VanDerWaalsContact C-N 3.27Å; I1129-F1131 PolarHBondContact O-N 3.49Å; I1129-I1132 PolarHBondContact O-N 3.09Å; I1129-V1133 WeakPolarHBondContact O-CG2 3.23Å; I1129-V1133 PolarHBondContact O-N 3.18Å
1130T62.6Low59.2Low21 Ų2134.9 Ų34.913%0.12920%0.201CC..Hα-helixtrans-61.8-37.4176.957.40000111.9F1103 V1126 G1127 T1128 I1134F1103-T1130 HydrophobicContact CB-CG2 3.92Å; V1126-T1130 WeakPolarHBondContact O-CG2 3.45Å; V1126-T1130 PolarHBondContact O-N 3.48Å; V1126-T1130 PolarHBondContact O-OG1 3.4Å; G1127-T1130 PolarHBondContact O-N 3.04Å; G1127-T1130 PolarHBondContact O-OG1 2.91Å; T1128-T1130 PolarHBondContact O-N 2.99Å; T1130-I1134 VanDerWaalsContact O-CD1 3.23Å; T1130-I1134 WeakPolarHBondContact O-CD1 3.42Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.45Å; T1130-I1134 PolarHBondContact O-N 3.18Å
1131F60.4Low58.5Low47 Ų4731.7 Ų31.721%0.20618%0.183CC..Hα-helixtrans-70.3-41.7179.9-168.7-99000112.7G1127 T1128 I1129 V1133 I1134 S1135 I1202 R1205G1127-F1131 PolarHBondContact O-N 3.27Å; T1128-F1131 PolarHBondContact O-N 3.4Å; I1129-F1131 VanDerWaalsContact C-N 3.27Å; I1129-F1131 PolarHBondContact O-N 3.49Å; F1131-V1133 VanDerWaalsContact C-N 3.33Å; F1131-V1133 PolarHBondContact O-N 2.93Å; F1131-I1134 PolarHBondContact O-N 3.46Å; F1131-S1135 WeakPolarHBondContact O-CB 3.28Å; F1131-S1135 PolarHBondContact O-N 3.39Å; F1131-S1135 PolarHBondContact O-OG 3.24Å; F1131-I1202 HydrophobicContact CE2-CG1 4.2Å; F1131-I1202 HydrophobicContact CZ-CG1 4.18Å; F1131-R1205 HydrophobicContact CZ-CB 4.3Å; F1131-R1205 HydrophobicContact CZ-CG 4.34Å
1132I62.9Low57.8Low20 Ų2035 Ų3510%0.10320%0.198CC..Hα-helixtrans-57.7-46.9176.7-68.9160.7000110.4R1077 L1080 Q1081 C1084 T1128 I1129 I1134 S1135R1077-I1132 HydrophobicContact CG-CD1 3.75Å; L1080-I1132 HydrophobicContact CB-CG2 4.47Å; Q1081-I1132 HydrophobicContact CB-CD1 4.14Å; C1084-I1132 HydrophobicContact CB-CG2 4.48Å; T1128-I1132 VanDerWaalsContact O-CG1 3.28Å; T1128-I1132 WeakPolarHBondContact O-CG1 3.37Å; T1128-I1132 PolarHBondContact O-N 2.71Å; I1129-I1132 PolarHBondContact O-N 3.09Å; I1132-I1134 VanDerWaalsContact C-N 3.33Å; I1132-I1134 PolarHBondContact O-N 2.86Å; I1132-S1135 WeakPolarHBondContact CA-OG 3.41Å; I1132-S1135 PolarHBondContact O-N 3.37Å; I1132-S1135 VanDerWaalsContact O-N 3.16Å; I1132-S1135 PolarHBondContact O-OG 2.91Å
1133V63.8Low56.6Low1 Ų138.9 Ų38.91%0.00622%0.222CC..Hα-helixtrans-64.5-36.8179.9176.40000112.3L1096 I1099 L1100 I1129 F1131 S1135 F1139L1096-V1133 HydrophobicContact CB-CG1 4.27Å; L1096-V1133 HydrophobicContact CD2-CG1 4.29Å; I1099-V1133 HydrophobicContact CG2-CG2 4.01Å; L1100-V1133 HydrophobicContact CB-CG1 4.23Å; L1100-V1133 HydrophobicContact CD1-CG1 4.39Å; I1129-V1133 WeakPolarHBondContact O-CG2 3.23Å; I1129-V1133 PolarHBondContact O-N 3.18Å; F1131-V1133 VanDerWaalsContact C-N 3.33Å; F1131-V1133 PolarHBondContact O-N 2.93Å; V1133-S1135 VanDerWaalsContact C-N 3.33Å; V1133-F1139 HydrophobicContact CG1-CE2 4.34Å
1134I59.3Low55.6Low30 Ų3039.7 Ų39.715%0.15423%0.229CC..Hα-helixtrans-72-29.6177.1-66.9161.3000111.5L1100 T1130 F1131 I1132 E1136 F1170 V1174L1100-I1134 HydrophobicContact CD1-CD1 4.33Å; L1100-I1134 HydrophobicContact CD1-CG1 4.11Å; T1130-I1134 VanDerWaalsContact O-CD1 3.23Å; T1130-I1134 WeakPolarHBondContact O-CD1 3.42Å; T1130-I1134 WeakPolarHBondContact O-CG1 3.45Å; T1130-I1134 PolarHBondContact O-N 3.18Å; F1131-I1134 PolarHBondContact O-N 3.46Å; I1132-I1134 VanDerWaalsContact C-N 3.33Å; I1132-I1134 PolarHBondContact O-N 2.86Å; I1134-E1136 VanDerWaalsContact C-N 3.28Å; I1134-E1136 PolarHBondContact O-N 3.35Å; I1134-F1170 HydrophobicContact CG2-CD2 4.14Å; I1134-F1170 HydrophobicContact CG2-CE2 4.45Å; I1134-V1174 HydrophobicContact CD1-CG1 4.31Å; I1134-V1174 HydrophobicContact CD1-CG2 3.58Å
1135S53.6Low54.7Low52 Ų5241.9 Ų41.936%0.36425%0.253SS..Hα-helixtrans-76.7-8.5-17670.80000114.8F1131 I1132 V1133F1131-S1135 WeakPolarHBondContact O-CB 3.28Å; F1131-S1135 PolarHBondContact O-N 3.39Å; F1131-S1135 PolarHBondContact O-OG 3.24Å; I1132-S1135 WeakPolarHBondContact CA-OG 3.41Å; I1132-S1135 PolarHBondContact O-N 3.37Å; I1132-S1135 VanDerWaalsContact O-N 3.16Å; I1132-S1135 PolarHBondContact O-OG 2.91Å; V1133-S1135 VanDerWaalsContact C-N 3.33Å
1136E57.7Low53.5Low15 Ų1547.6 Ų47.67%0.0729%0.288CS..  trans-76.4123.7-179.8-89.3-60.3126.400112.7C1084 I1134 T1138 F1139C1084-E1136 HydrophobicContact CB-CG 3.86Å; C1084-E1136 VanDerWaalsContact CB-OE1 3.26Å; C1084-E1136 WeakPolarHBondContact CB-OE1 3.46Å; I1134-E1136 VanDerWaalsContact C-N 3.28Å; I1134-E1136 PolarHBondContact O-N 3.35Å; E1136-T1138 PolarHBondContact O-N 3.43Å; E1136-T1138 VanDerWaalsContact O-N 3.08Å; E1136-F1139 WeakPolarHBondContact O-CB 3.22Å; E1136-F1139 PolarHBondContact O-N 2.99Å
1137P52.6Low52.2Low93 Ų9352.3 Ų52.360%0.60431%0.313SS*.THydrogen-bonded Turntrans-67.2-11.3-173.925.4-34.7000115
1138T51.7Low51.2Low63 Ų6354.9 Ų54.939%0.38733%0.327SS..THydrogen-bonded Turntrans-92.1-9.5-178.950.90000113.7N1093 E1136 T1140N1093-T1138 PolarHBondContact ND2-O 2.79Å; N1093-T1138 PolarHBondContact OD1-O 2.76Å; E1136-T1138 PolarHBondContact O-N 3.43Å; E1136-T1138 VanDerWaalsContact O-N 3.08Å; T1138-T1140 PolarHBondContact O-N 2.73Å
1139F50.2Low49.9Very low9 Ų963.5 Ų63.54%0.03936%0.363CS..  trans-72122.3-170.5-172.9-106.9000113.4N1093 L1096 N1097 L1100 V1133 E1136 F1141 M1166N1093-F1139 VanDerWaalsContact OD1-CA 3.3Å; N1093-F1139 WeakPolarHBondContact OD1-CA 3.29Å; L1096-F1139 HydrophobicContact CB-CD2 3.62Å; L1096-F1139 HydrophobicContact CB-CE2 3.65Å; L1096-F1139 HydrophobicContact CD1-CD2 4.04Å; L1096-F1139 HydrophobicContact CG-CD2 4.49Å; N1097-F1139 HydrophobicContact CB-CE2 4.47Å; N1097-F1139 WeakPolarHBondContact OD1-CZ 3.36Å; L1100-F1139 HydrophobicContact CD2-CE1 3.88Å; L1100-F1139 HydrophobicContact CD2-CZ 3.54Å; V1133-F1139 HydrophobicContact CG1-CE2 4.34Å; E1136-F1139 WeakPolarHBondContact O-CB 3.22Å; E1136-F1139 PolarHBondContact O-N 2.99Å; F1139-F1141 HydrophobicContact CE1-CB 3.99Å; F1139-F1141 HydrophobicContact CE1-CD2 4Å; F1139-F1141 AromaticContact CZ-CD2 3.97Å; F1139-F1141 HydrophobicContact CZ-CD2 3.97Å; F1139-M1166 HydrophobicContact CD1-SD 4.34Å
1140T47.8Very low48.6Very low71 Ų7167.2 Ų67.244%0.43639%0.385SS..  trans-117.4116.3170.461.40000111N1093 N1097 T1138N1093-T1140 VanDerWaalsContact CG-OG1 3.32Å; N1093-T1140 PolarHBondContact ND2-OG1 3.2Å; N1093-T1140 VanDerWaalsContact ND2-OG1 3.08Å; N1093-T1140 PolarHBondContact OD1-N 2.7Å; N1093-T1140 VanDerWaalsContact OD1-N 3.1Å; N1097-T1140 PolarHBondContact ND2-O 3.27Å; T1138-T1140 PolarHBondContact O-N 2.73Å
1141F45.1Very low47.5Very low24 Ų2468 Ų6811%0.10539%0.392CS..PPolyproline II helixtrans-83.3130.4178.6-166.9-100.6000111.9N1097 L1100 F1139 V1143 T1169N1097-F1141 WeakPolarHBondContact OD1-CD2 3.48Å; L1100-F1141 HydrophobicContact CD2-CD2 3.9Å; L1100-F1141 HydrophobicContact CD2-CE2 3.82Å; F1139-F1141 HydrophobicContact CE1-CB 3.99Å; F1139-F1141 HydrophobicContact CE1-CD2 4Å; F1139-F1141 AromaticContact CZ-CD2 3.97Å; F1139-F1141 HydrophobicContact CZ-CD2 3.97Å; F1141-V1143 HydrophobicContact CD1-CG2 4.41Å; F1141-T1169 HydrophobicContact CB-CG2 3.82Å; F1141-T1169 WeakPolarHBondContact CB-OG1 3.45Å; F1141-T1169 HydrophobicContact CD1-CG2 3.44Å; F1141-T1169 VanDerWaalsContact CD1-CG2 3.44Å; F1141-T1169 WeakPolarHBondContact CD1-OG1 3.43Å; F1141-T1169 HydrophobicContact CD2-CG2 3.74Å; F1141-T1169 HydrophobicContact CE1-CG2 3.82Å; F1141-T1169 HydrophobicContact CE2-CG2 4.1Å; F1141-T1169 HydrophobicContact CG-CG2 3.39Å; F1141-T1169 HydrophobicContact CZ-CG2 4.14Å
1142N47.6Very low46.4Very low128 Ų12873.2 Ų73.268%0.68442%0.417SS*.PPolyproline II helixtrans-99.6116.7170.7-84.1-18000109.5
1143V38.3Very low45.2Very low85 Ų8578.6 Ų78.652%0.51544%0.444SS..PPolyproline II helixtrans-65.1127-176.3-1770000111F1141F1141-V1143 HydrophobicContact CD1-CG2 4.41Å
1144P40.5Very low44.1Very low52 Ų5281.5 Ų81.534%0.33846%0.459SS..PPolyproline II helixtrans-61.2140.9174-22.232.3000112.3T1146 L1147P1144-T1146 PolarHBondContact O-N 2.97Å; P1144-L1147 PolarHBondContact O-N 2.95Å
1145P40.5Very low43.1Very low123 Ų12383.1 Ų83.180%0.79947%0.47SS*.G310 helixtrans-64-5.5-176.925.3-34000114.6
1146T38.6Very low42.4Very low124 Ų12484.6 Ų84.676%0.76148%0.481SS*.G310 helixtrans-80.9-7.1-178.541.40000114.6P1144P1144-T1146 PolarHBondContact O-N 2.97Å
1147L36.9Very low41.7Very low99 Ų9987.1 Ų87.152%0.51850%0.497SS..G310 helixtrans-104.126.6178.5-78.2163.4000114.1P1144 K1149 V1150 S1151P1144-L1147 PolarHBondContact O-N 2.95Å; L1147-K1149 VanDerWaalsContact C-N 3.25Å; L1147-K1149 PolarHBondContact O-N 3.16Å; L1147-K1149 VanDerWaalsContact O-N 3.09Å; L1147-V1150 PolarHBondContact O-N 3Å; L1147-S1151 PolarHBondContact O-N 3.34Å
1148S37.8Very low41.2Very low77 Ų7784.2 Ų84.254%0.53848%0.481SS..THydrogen-bonded Turntrans-69.2-3.8-170.963.80000117S1151S1148-S1151 WeakPolarHBondContact CA-OG 2.84Å; S1148-S1151 PolarHBondContact O-OG 3.39Å
1149K35.7Very low40.4Very low200 Ų20089 Ų8987%0.8750%0.499SS*.THydrogen-bonded Turntrans-97.1-18.9178.7-77.6-176.4177.3178.80114.8L1147L1147-K1149 VanDerWaalsContact C-N 3.25Å; L1147-K1149 PolarHBondContact O-N 3.16Å; L1147-K1149 VanDerWaalsContact O-N 3.09Å
1150V37.1Very low39.9Very low77 Ų7792.6 Ų92.647%0.46753%0.525SS..THydrogen-bonded Turntrans-103.3-16.3174.4-175.90000110.5L1147 H1152 L1154 M1172L1147-V1150 PolarHBondContact O-N 3Å; V1150-H1152 PolarHBondContact O-N 2.92Å; V1150-L1154 HydrophobicContact CG1-CD1 4.28Å; V1150-M1172 HydrophobicContact CG1-CE 4.1Å
1151S38.6Very low39.2Very low37 Ų3793.7 Ų93.726%0.25954%0.536SS..Hα-helixtrans-65.3-30.5179.366.40000113.3L1147 S1148 I1153 L1154 V1155L1147-S1151 PolarHBondContact O-N 3.34Å; S1148-S1151 WeakPolarHBondContact CA-OG 2.84Å; S1148-S1151 PolarHBondContact O-OG 3.39Å; S1151-I1153 VanDerWaalsContact C-N 3.27Å; S1151-I1153 PolarHBondContact O-N 3.25Å; S1151-L1154 PolarHBondContact O-N 3.36Å; S1151-V1155 WeakPolarHBondContact O-CA 3.03Å; S1151-V1155 WeakPolarHBondContact O-CB 3.25Å; S1151-V1155 WeakPolarHBondContact O-CG2 3.41Å; S1151-V1155 PolarHBondContact O-N 3.42Å
1152H37.4Very low38.8Very low158 Ų158100.3 Ų100.373%0.73158%0.578SS**Hα-helixtrans-66.7-23.6-175.9-110.1-68.8000115V1150V1150-H1152 PolarHBondContact O-N 2.92Å
1153I39.4Very low38.6Very low132 Ų13297.5 Ų97.568%0.67758%0.58SS**Hα-helixtrans-89.6-37.2-179-59.9175.8000110.4S1151 S1156S1151-I1153 VanDerWaalsContact C-N 3.27Å; S1151-I1153 PolarHBondContact O-N 3.25Å; I1153-S1156 PolarHBondContact O-OG 3.41Å
1154L39.2Very low39.1Very low62 Ų6295.4 Ų95.433%0.32557%0.569SS.*Hα-helixtrans-86.4-23.6178.7-73162.3000113.5V1150 S1151 S1156 V1157 A1158 M1172V1150-L1154 HydrophobicContact CG1-CD1 4.28Å; S1151-L1154 PolarHBondContact O-N 3.36Å; L1154-S1156 VanDerWaalsContact C-N 3.35Å; L1154-V1157 PolarHBondContact O-N 3.06Å; L1154-A1158 PolarHBondContact O-N 3.16Å; L1154-M1172 HydrophobicContact CD1-SD 4.13Å
1155V38.4Very low39.5Very low64 Ų6496.5 Ų96.539%0.38857%0.572SS.*Hα-helixtrans-70.2-30.8175168.50000111.3S1151 V1157 A1158 E1159S1151-V1155 WeakPolarHBondContact O-CA 3.03Å; S1151-V1155 WeakPolarHBondContact O-CB 3.25Å; S1151-V1155 WeakPolarHBondContact O-CG2 3.41Å; S1151-V1155 PolarHBondContact O-N 3.42Å; V1155-V1157 PolarHBondContact O-N 3.07Å; V1155-A1158 PolarHBondContact O-N 2.71Å; V1155-A1158 VanDerWaalsContact O-N 3.11Å; V1155-E1159 PolarHBondContact O-N 2.91Å
1156S40.3Very low39.7Very low84 Ų8494.5 Ų94.559%0.58755%0.553SS**Hα-helixtrans-65.9-23.6173.673.20000113.6I1153 L1154I1153-S1156 PolarHBondContact O-OG 3.41Å; L1154-S1156 VanDerWaalsContact C-N 3.35Å
1157V42.3Very low40.2Very low67 Ų6791.9 Ų91.941%0.40653%0.534SS..Hα-helixtrans-88.3-18176.7-177.30000111.3L1154 V1155 F1218L1154-V1157 PolarHBondContact O-N 3.06Å; V1155-V1157 PolarHBondContact O-N 3.07Å; V1157-F1218 HydrophobicContact CG1-CE1 4.4Å
1158A41.2Very low40.9Very low33 Ų3389 Ų8927%0.27352%0.52SS..Hα-helixtrans-94.1-12.9-175.300000114.6L1154 V1155 S1160L1154-A1158 PolarHBondContact O-N 3.16Å; V1155-A1158 PolarHBondContact O-N 2.71Å; V1155-A1158 VanDerWaalsContact O-N 3.11Å; A1158-S1160 PolarHBondContact O-N 3.32Å
1159E35.1Very low41.5Very low162 Ų16286.3 Ų86.376%0.75750%0.501SS*.SBendtrans-75.9-1-176.1-78.8-179.2173.600115V1155V1155-E1159 PolarHBondContact O-N 2.91Å
1160S40.8Very low42.3Very low85 Ų8577.7 Ų77.759%0.59446%0.463SS*.SBendtrans-118.4114.2176650000111.5A1158A1158-S1160 PolarHBondContact O-N 3.32Å
1161S33.4Very low43.1Very low94 Ų9474.9 Ų74.966%0.65745%0.447SS*.SBendtrans7494.1170.572.60000118.8G1163S1161-G1163 VanDerWaalsContact C-N 3.3Å; S1161-G1163 PolarHBondContact O-N 3.49Å
1162T36.4Very low43.7Very low163 Ų16378.1 Ų78.1100%146%0.459SS*.SBendtrans21.415.2139.356.10000124.5
1163G42.5Very low44.5Very low69 Ų6972.5 Ų72.571%0.71144%0.44SS*.SBendtrans-148.37.2-179.900000117.2S1161S1161-G1163 VanDerWaalsContact C-N 3.3Å; S1161-G1163 PolarHBondContact O-N 3.49Å
1164S49.4Very low45.3Very low41 Ų4167.1 Ų67.129%0.28741%0.413SS..  trans-104.70.2-15553.70000117.1M1166 L1167S1164-M1166 VanDerWaalsContact C-N 3.31Å; S1164-M1166 PolarHBondContact O-N 2.8Å; S1164-L1167 PolarHBondContact O-N 2.83Å
1165N48Very low46.3Very low76 Ų7664.2 Ų64.241%0.40640%0.398SS..Hα-helixtrans-71.5-20.6-179.7-73.8-6.9000114.1T1168 T1169N1165-T1168 PolarHBondContact O-OG1 2.88Å; N1165-T1169 PolarHBondContact O-OG1 3.1Å
1166M45.4Very low47.2Very low80 Ų8063.6 Ų63.639%0.39440%0.396SS..Hα-helixtrans-68.2-34.7176.3-80.6-99.4-93.400112.6F1139 S1164 T1169 F1170F1139-M1166 HydrophobicContact CD1-SD 4.34Å; S1164-M1166 VanDerWaalsContact C-N 3.31Å; S1164-M1166 PolarHBondContact O-N 2.8Å; M1166-T1169 PolarHBondContact O-N 2.75Å; M1166-F1170 WeakPolarHBondContact O-CB 3.24Å; M1166-F1170 PolarHBondContact O-N 3.45Å
1167L50Low47.9Very low69 Ų6962 Ų6236%0.36138%0.383SS..Hα-helixtrans-76.2-40-169.7-136.6142.6000111.7S1164 C1171 I1213S1164-L1167 PolarHBondContact O-N 2.83Å; L1167-C1171 WeakPolarHBondContact O-CB 3.32Å; L1167-C1171 PolarHBondContact O-N 3.06Å; L1167-C1171 VanDerWaalsContact O-N 3.15Å; L1167-C1171 PolarHBondContact O-SG 3.44Å; L1167-I1213 HydrophobicContact CD1-CG1 4.17Å; L1167-I1213 HydrophobicContact CD2-CD1 4.16Å; L1167-I1213 HydrophobicContact CD2-CG1 4.21Å
1168T50.6Low48.7Very low39 Ų3960.2 Ų60.224%0.23937%0.37CS..Hα-helixtrans-67.1-36.8173.548.70000111.9N1165 M1172N1165-T1168 PolarHBondContact O-OG1 2.88Å; T1168-M1172 VanDerWaalsContact O-CB 3.31Å; T1168-M1172 WeakPolarHBondContact O-CB 3.45Å; T1168-M1172 WeakPolarHBondContact O-CG 3.27Å; T1168-M1172 PolarHBondContact O-N 3.29Å; T1168-M1172 VanDerWaalsContact O-N 3.08Å
1169T49.4Very low49.6Very low20 Ų2059.3 Ų59.312%0.12336%0.362CS..Hα-helixtrans-70.2-42.6-179.6-46.70000112.2F1141 N1165 M1166 A1173F1141-T1169 HydrophobicContact CB-CG2 3.82Å; F1141-T1169 WeakPolarHBondContact CB-OG1 3.45Å; F1141-T1169 HydrophobicContact CD1-CG2 3.44Å; F1141-T1169 VanDerWaalsContact CD1-CG2 3.44Å; F1141-T1169 WeakPolarHBondContact CD1-OG1 3.43Å; F1141-T1169 HydrophobicContact CD2-CG2 3.74Å; F1141-T1169 HydrophobicContact CE1-CG2 3.82Å; F1141-T1169 HydrophobicContact CE2-CG2 4.1Å; F1141-T1169 HydrophobicContact CG-CG2 3.39Å; F1141-T1169 HydrophobicContact CZ-CG2 4.14Å; N1165-T1169 PolarHBondContact O-OG1 3.1Å; M1166-T1169 PolarHBondContact O-N 2.75Å; T1169-A1173 PolarHBondContact O-N 3.31Å
1170F53Low50.7Low20 Ų2055.4 Ų55.49%0.08835%0.349CS..Iπ-helixtrans-65.8-41.5176.2-167.7-102.6000112I1134 M1166 V1174 L1175 I1209 F1241I1134-F1170 HydrophobicContact CG2-CD2 4.14Å; I1134-F1170 HydrophobicContact CG2-CE2 4.45Å; M1166-F1170 WeakPolarHBondContact O-CB 3.24Å; M1166-F1170 PolarHBondContact O-N 3.45Å; F1170-V1174 HydrophobicContact CD2-CB 4.18Å; F1170-V1174 HydrophobicContact CD2-CG1 4.14Å; F1170-V1174 HydrophobicContact CE2-CB 4.44Å; F1170-V1174 HydrophobicContact CE2-CG1 3.93Å; F1170-V1174 PolarHBondContact O-N 2.73Å; F1170-L1175 HydrophobicContact CD1-CD1 3.4Å; F1170-L1175 HydrophobicContact CD1-CG 4.01Å; F1170-L1175 HydrophobicContact CE1-CD1 3.57Å; F1170-L1175 HydrophobicContact CE1-CD2 4.35Å; F1170-L1175 HydrophobicContact CE1-CG 3.77Å; F1170-L1175 HydrophobicContact CG-CD1 4.44Å; F1170-L1175 PolarHBondContact O-N 2.91Å; F1170-L1175 VanDerWaalsContact O-N 3.16Å; F1170-I1209 HydrophobicContact CD1-CD1 4.45Å; F1170-I1209 HydrophobicContact CE1-CD1 3.99Å; F1170-I1209 HydrophobicContact CE2-CD1 4.08Å; F1170-I1209 HydrophobicContact CZ-CD1 3.79Å; F1170-F1241 AromaticContact CD1-CZ 3.88Å; F1170-F1241 HydrophobicContact CD1-CZ 3.88Å; F1170-F1241 AromaticContact CE1-CE1 3.94Å; F1170-F1241 HydrophobicContact CE1-CE1 3.94Å; F1170-F1241 AromaticContact CE1-CZ 3.74Å; F1170-F1241 HydrophobicContact CE1-CZ 3.74Å
1171C54.4Low51.4Low17 Ų1753.9 Ų53.912%0.11534%0.336CS..Iπ-helixtrans-70.2-33.6179.7-66.70000114.1L1167 L1175L1167-C1171 WeakPolarHBondContact O-CB 3.32Å; L1167-C1171 PolarHBondContact O-N 3.06Å; L1167-C1171 VanDerWaalsContact O-N 3.15Å; L1167-C1171 PolarHBondContact O-SG 3.44Å; C1171-L1175 HydrophobicContact CB-CD1 4.47Å
1172M51.9Low52.8Low105 Ų10549.7 Ų49.752%0.51731%0.306SS..Iπ-helixtrans-90.1-23.9-172.8-68.6-65.2-68.700114.9V1150 L1154 T1168V1150-M1172 HydrophobicContact CG1-CE 4.1Å; L1154-M1172 HydrophobicContact CD1-SD 4.13Å; T1168-M1172 VanDerWaalsContact O-CB 3.31Å; T1168-M1172 WeakPolarHBondContact O-CB 3.45Å; T1168-M1172 WeakPolarHBondContact O-CG 3.27Å; T1168-M1172 PolarHBondContact O-N 3.29Å; T1168-M1172 VanDerWaalsContact O-N 3.08Å
1173A53.3Low53.8Low41 Ų4149.4 Ų49.434%0.33929%0.291SS..Iπ-helixtrans-122.9-33.5-173.500000114.7T1169 T1177T1169-A1173 PolarHBondContact O-N 3.31Å; A1173-T1177 WeakPolarHBondContact O-CG2 3.49Å; A1173-T1177 PolarHBondContact O-OG1 3.48Å
1174V55.7Low54.5Low18 Ų1853.8 Ų53.811%0.10929%0.291CS..Iπ-helixtrans-101.1-45-165.5-178.80000112I1134 F1170 T1177 L1178I1134-V1174 HydrophobicContact CD1-CG1 4.31Å; I1134-V1174 HydrophobicContact CD1-CG2 3.58Å; F1170-V1174 HydrophobicContact CD2-CB 4.18Å; F1170-V1174 HydrophobicContact CD2-CG1 4.14Å; F1170-V1174 HydrophobicContact CE2-CB 4.44Å; F1170-V1174 HydrophobicContact CE2-CG1 3.93Å; F1170-V1174 PolarHBondContact O-N 2.73Å; V1174-T1177 WeakPolarHBondContact CA-OG1 3.16Å; V1174-T1177 PolarHBondContact O-N 2.96Å; V1174-T1177 PolarHBondContact O-OG1 3.37Å; V1174-L1178 HydrophobicContact CG1-CD1 3.66Å; V1174-L1178 HydrophobicContact CG1-CG 4.25Å; V1174-L1178 VanDerWaalsContact O-CB 3.3Å; V1174-L1178 WeakPolarHBondContact O-CB 3.31Å; V1174-L1178 VanDerWaalsContact O-CG 3.29Å; V1174-L1178 WeakPolarHBondContact O-CG 3.1Å; V1174-L1178 PolarHBondContact O-N 2.82Å
1175L60.9Low54.8Low1 Ų153.9 Ų53.91%0.00529%0.291CS..Hα-helixtrans-61.7-43.4177.3-87.6146.4000113.7F1170 C1171 S1179 F1241 V1244F1170-L1175 HydrophobicContact CD1-CD1 3.4Å; F1170-L1175 HydrophobicContact CD1-CG 4.01Å; F1170-L1175 HydrophobicContact CE1-CD1 3.57Å; F1170-L1175 HydrophobicContact CE1-CD2 4.35Å; F1170-L1175 HydrophobicContact CE1-CG 3.77Å; F1170-L1175 HydrophobicContact CG-CD1 4.44Å; F1170-L1175 PolarHBondContact O-N 2.91Å; F1170-L1175 VanDerWaalsContact O-N 3.16Å; C1171-L1175 HydrophobicContact CB-CD1 4.47Å; L1175-S1179 WeakPolarHBondContact O-CB 3.49Å; L1175-S1179 PolarHBondContact O-N 3.18Å; L1175-F1241 HydrophobicContact CD1-CD2 4.13Å; L1175-F1241 HydrophobicContact CD1-CE1 4.38Å; L1175-F1241 HydrophobicContact CD1-CE2 3.6Å; L1175-F1241 HydrophobicContact CD1-CZ 3.75Å; L1175-F1241 HydrophobicContact CD2-CD1 4.32Å; L1175-F1241 HydrophobicContact CD2-CE1 4.42Å; L1175-F1241 HydrophobicContact CD2-CG 4.36Å; L1175-V1244 HydrophobicContact CD2-CB 4.04Å; L1175-V1244 HydrophobicContact CD2-CG1 4.41Å; L1175-V1244 HydrophobicContact CD2-CG2 3.74Å
1176P58Low54.9Low52 Ų5255 Ų5534%0.33831%0.311SS..Hα-helixtrans-67.2-38.4176.9-21.833.8000113.3S1179 V1180P1176-S1179 PolarHBondContact O-N 3.47Å; P1176-V1180 WeakPolarHBondContact O-CG2 3.49Å; P1176-V1180 PolarHBondContact O-N 2.87Å; P1176-V1180 VanDerWaalsContact O-N 3.11Å
1177T54.1Low55.1Low51 Ų5156.8 Ų56.831%0.31332%0.32SS..Hα-helixtrans-70.6-41.7178.346.60000111.4A1173 V1174 V1180 V1181A1173-T1177 WeakPolarHBondContact O-CG2 3.49Å; A1173-T1177 PolarHBondContact O-OG1 3.48Å; V1174-T1177 WeakPolarHBondContact CA-OG1 3.16Å; V1174-T1177 PolarHBondContact O-N 2.96Å; V1174-T1177 PolarHBondContact O-OG1 3.37Å; T1177-V1180 PolarHBondContact O-N 3.27Å; T1177-V1181 WeakPolarHBondContact O-CB 3.29Å; T1177-V1181 VanDerWaalsContact O-CG2 3.24Å; T1177-V1181 WeakPolarHBondContact O-CG2 3.43Å; T1177-V1181 PolarHBondContact O-N 3.46Å
1178L60.4Low55.1Low28 Ų2860.1 Ų60.115%0.14734%0.338CS..Hα-helixtrans-60.8-42.5171.1-76.8169.7000112.1V1174 V1180 V1181 L1182V1174-L1178 HydrophobicContact CG1-CD1 3.66Å; V1174-L1178 HydrophobicContact CG1-CG 4.25Å; V1174-L1178 VanDerWaalsContact O-CB 3.3Å; V1174-L1178 WeakPolarHBondContact O-CB 3.31Å; V1174-L1178 VanDerWaalsContact O-CG 3.29Å; V1174-L1178 WeakPolarHBondContact O-CG 3.1Å; V1174-L1178 PolarHBondContact O-N 2.82Å; L1178-V1180 VanDerWaalsContact C-N 3.33Å; L1178-V1180 PolarHBondContact O-N 2.92Å; L1178-V1181 PolarHBondContact O-N 2.83Å; L1178-L1182 VanDerWaalsContact O-CB 3.27Å; L1178-L1182 WeakPolarHBondContact O-CB 3.46Å; L1178-L1182 WeakPolarHBondContact O-CD1 3.38Å; L1178-L1182 WeakPolarHBondContact O-CG 3.44Å; L1178-L1182 PolarHBondContact O-N 3.17Å
1179S58.9Low54.9Low15 Ų1568 Ų6811%0.10537%0.368CS..Hα-helixtrans-59.4-42.3176.4-172.60000112.2L1175 P1176 K1183L1175-S1179 WeakPolarHBondContact O-CB 3.49Å; L1175-S1179 PolarHBondContact O-N 3.18Å; P1176-S1179 PolarHBondContact O-N 3.47Å; S1179-K1183 WeakPolarHBondContact O-CB 3.31Å; S1179-K1183 WeakPolarHBondContact O-CG 3.39Å; S1179-K1183 PolarHBondContact O-N 3.22Å; S1179-K1183 VanDerWaalsContact O-N 3.12Å
1180V58Low54.7Low79 Ų7976 Ų7648%0.47940%0.404SS..Hα-helixtrans-69.4-43.2177.3173.40000111.8P1176 T1177 L1178 K1183 K1184P1176-V1180 WeakPolarHBondContact O-CG2 3.49Å; P1176-V1180 PolarHBondContact O-N 2.87Å; P1176-V1180 VanDerWaalsContact O-N 3.11Å; T1177-V1180 PolarHBondContact O-N 3.27Å; L1178-V1180 VanDerWaalsContact C-N 3.33Å; L1178-V1180 PolarHBondContact O-N 2.92Å; V1180-K1183 PolarHBondContact O-N 3.29Å; V1180-K1184 PolarHBondContact O-N 2.85Å; V1180-K1184 VanDerWaalsContact O-N 3.08Å
1181V56.8Low54.5Low53 Ų5379 Ų7932%0.32143%0.428SS..Hα-helixtrans-64.2-46.2178.5170.60000110.9T1177 L1178 K1183 K1184 C1185T1177-V1181 WeakPolarHBondContact O-CB 3.29Å; T1177-V1181 VanDerWaalsContact O-CG2 3.24Å; T1177-V1181 WeakPolarHBondContact O-CG2 3.43Å; T1177-V1181 PolarHBondContact O-N 3.46Å; L1178-V1181 PolarHBondContact O-N 2.83Å; V1181-K1183 VanDerWaalsContact C-N 3.34Å; V1181-K1183 PolarHBondContact O-N 2.61Å; V1181-K1184 PolarHBondContact O-N 3.44Å; V1181-C1185 PolarHBondContact O-N 3.29Å; V1181-C1185 VanDerWaalsContact O-N 3.08Å; V1181-C1185 PolarHBondContact O-SG 3.29Å; V1181-C1185 VanDerWaalsContact O-SG 3.35Å
1182L61.4Low54.2Low6 Ų683 Ų833%0.03145%0.449CS..Hα-helixtrans-64.1-37.3178.9-70.2168.1000112L1178 F1199 V1244 L1248 K1251L1178-L1182 VanDerWaalsContact O-CB 3.27Å; L1178-L1182 WeakPolarHBondContact O-CB 3.46Å; L1178-L1182 WeakPolarHBondContact O-CD1 3.38Å; L1178-L1182 WeakPolarHBondContact O-CG 3.44Å; L1178-L1182 PolarHBondContact O-N 3.17Å; L1182-F1199 HydrophobicContact CD2-CD1 4.03Å; L1182-F1199 HydrophobicContact CD2-CE1 3.53Å; L1182-F1199 HydrophobicContact CD2-CZ 4.38Å; L1182-V1244 HydrophobicContact CD1-CG1 4.06Å; L1182-L1248 HydrophobicContact CD1-CD2 3.81Å; L1182-L1248 HydrophobicContact CD1-CG 3.79Å; L1182-L1248 HydrophobicContact CD2-CD2 3.73Å; L1182-L1248 HydrophobicContact CD2-CG 4.48Å; L1182-L1248 HydrophobicContact CG-CD2 4.44Å; L1182-K1251 WeakPolarHBondContact O-CE 3.16Å; L1182-K1251 PolarHBondContact O-NZ 2.56Å
1183K57.9Low54.3Low158 Ų15883.2 Ų83.269%0.68746%0.458SS*.Hα-helixtrans-71.7-29175.5-78.4-178.8177.8178.80114.4S1179 V1180 V1181S1179-K1183 WeakPolarHBondContact O-CB 3.31Å; S1179-K1183 WeakPolarHBondContact O-CG 3.39Å; S1179-K1183 PolarHBondContact O-N 3.22Å; S1179-K1183 VanDerWaalsContact O-N 3.12Å; V1180-K1183 PolarHBondContact O-N 3.29Å; V1181-K1183 VanDerWaalsContact C-N 3.34Å; V1181-K1183 PolarHBondContact O-N 2.61Å
1184K56.6Low54.3Low161 Ų16184.1 Ų84.170%0.746%0.461SS*.Hα-helixtrans-86.9-22.8179.6-97-176.2172.7-175.20114.5V1180 V1181 A1186V1180-K1184 PolarHBondContact O-N 2.85Å; V1180-K1184 VanDerWaalsContact O-N 3.08Å; V1181-K1184 PolarHBondContact O-N 3.44Å; K1184-A1186 PolarHBondContact O-N 3.41Å
1185C55.3Low54.1Low43 Ų4385.6 Ų85.629%0.29147%0.471SS..  trans-7483.1-179.7-76.10000112.2V1181 M1187 K1251V1181-C1185 PolarHBondContact O-N 3.29Å; V1181-C1185 VanDerWaalsContact O-N 3.08Å; V1181-C1185 PolarHBondContact O-SG 3.29Å; V1181-C1185 VanDerWaalsContact O-SG 3.35Å; C1185-M1187 PolarHBondContact O-N 2.96Å; C1185-M1187 VanDerWaalsContact O-N 3.13Å; C1185-K1251 PolarHBondContact O-NZ 3.43Å
1186A51.5Low53.9Low100 Ų10087.1 Ų87.183%0.82648%0.481SS*.  trans-83.542.6174.200000112.9K1184K1184-A1186 PolarHBondContact O-N 3.41Å
1187M49.1Very low53.9Low117 Ų11790.3 Ų90.358%0.57649%0.491SS*.  trans-75.6128.9-177.2-72.9-60.6-37.900111.5L1120 C1185L1120-M1187 HydrophobicContact CD2-SD 4.46Å; C1185-M1187 PolarHBondContact O-N 2.96Å; C1185-M1187 VanDerWaalsContact O-N 3.13Å
1188D49.1Very low54Low139 Ų13990 Ų9074%0.74349%0.487SS*.  trans-52.8137.4172.7-77.6-38.7000111.6E1190D1188-E1190 PolarHBondContact O-N 2.87Å
1189K46.7Very low54.1Low203 Ų20390.2 Ų90.288%0.88349%0.487SS*.THydrogen-bonded Turntrans-62.51.7-169.3-74.5-178.9173.2179.90115.8
1190E46.6Very low54.2Low188 Ų18890.3 Ų90.388%0.87949%0.487SS*.THydrogen-bonded Turntrans-121.2-10.3-159.4-66.1-170.8161.500116.3D1188D1188-E1190 PolarHBondContact O-N 2.87Å
1191S47.3Very low54.4Low85 Ų8590.1 Ų90.159%0.59448%0.483SS*.SBendtrans-99.5-14.8-160.566.20000118.3
1192D48.8Very low54.7Low101 Ų10188.4 Ų88.454%0.5447%0.472SS..  trans-155.2115.6-179.1-118.9-37.1000115.2S1194 V1195D1192-S1194 PolarHBondContact O-N 3.3Å; D1192-V1195 HydrophobicContact CB-CG2 4.12Å; D1192-V1195 PolarHBondContact O-N 3.36Å
1193P54.4Low55.1Low109 Ų10988.1 Ų88.171%0.70847%0.47SS*.Hα-helixtrans-66.3-22-179.425.8-33.4000113.8V1195 S1196 H1197P1193-V1195 VanDerWaalsContact C-N 3.33Å; P1193-V1195 PolarHBondContact O-N 3.2Å; P1193-S1196 PolarHBondContact O-N 2.76Å; P1193-H1197 PolarHBondContact O-N 2.85Å
1194S52.2Low55.4Low59 Ų5981.7 Ų81.741%0.41344%0.443SS..Hα-helixtrans-67.4-32.3179.862.90000113.2D1192 H1197 I1198D1192-S1194 PolarHBondContact O-N 3.3Å; S1194-H1197 PolarHBondContact O-N 2.88Å; S1194-I1198 PolarHBondContact O-N 3.26Å
1195V52.9Low55.6Low50 Ų5078.9 Ų78.930%0.30343%0.428SS..Hα-helixtrans-72.3-39.5180176.40000110.9D1192 P1193 H1197 I1198 F1199D1192-V1195 HydrophobicContact CB-CG2 4.12Å; D1192-V1195 PolarHBondContact O-N 3.36Å; P1193-V1195 VanDerWaalsContact C-N 3.33Å; P1193-V1195 PolarHBondContact O-N 3.2Å; V1195-H1197 VanDerWaalsContact C-N 3.33Å; V1195-H1197 PolarHBondContact O-N 3.37Å; V1195-I1198 PolarHBondContact O-N 3.22Å; V1195-F1199 HydrophobicContact CG1-CD2 3.85Å; V1195-F1199 HydrophobicContact CG1-CE2 3.35Å; V1195-F1199 HydrophobicContact CG1-CZ 4.07Å; V1195-F1199 VanDerWaalsContact O-CD2 3.31Å; V1195-F1199 WeakPolarHBondContact O-CD2 3.36Å; V1195-F1199 PolarHBondContact O-N 3.26Å
1196S56.1Low56.1Low33 Ų3377 Ų7723%0.23142%0.415CS..Hα-helixtrans-60.6-42.5174.2-176.80000111.5P1193 I1198 F1199 T1200 P1253P1193-S1196 PolarHBondContact O-N 2.76Å; S1196-I1198 VanDerWaalsContact C-N 3.29Å; S1196-I1198 PolarHBondContact O-N 2.94Å; S1196-F1199 PolarHBondContact O-N 3.44Å; S1196-T1200 WeakPolarHBondContact O-CG2 3.37Å; S1196-T1200 PolarHBondContact O-N 3.21Å; S1196-T1200 PolarHBondContact O-OG1 2.97Å; S1196-P1253 WeakPolarHBondContact OG-CD 3.37Å
1197H58.3Low56.8Low118 Ų11872.2 Ų72.255%0.54638%0.376SS..Hα-helixtrans-63.2-36.6179.3-169.759.6000112.4P1193 S1194 V1195 T1200 L1201P1193-H1197 PolarHBondContact O-N 2.85Å; S1194-H1197 PolarHBondContact O-N 2.88Å; V1195-H1197 VanDerWaalsContact C-N 3.33Å; V1195-H1197 PolarHBondContact O-N 3.37Å; H1197-T1200 VanDerWaalsContact C-OG1 3.24Å; H1197-T1200 VanDerWaalsContact CA-OG1 3.31Å; H1197-T1200 WeakPolarHBondContact CA-OG1 3.34Å; H1197-T1200 PolarHBondContact O-N 2.85Å; H1197-T1200 PolarHBondContact O-OG1 3.49Å; H1197-L1201 PolarHBondContact O-N 3.35Å
1198I54.7Low57.5Low44 Ų4469.7 Ų69.723%0.22636%0.364CS..Hα-helixtrans-73.8-38.3178.7-76.7167.7000111.8Y1124 T1128 S1194 V1195 S1196 T1200 L1201 I1202Y1124-I1198 HydrophobicContact CE1-CD1 4.13Å; Y1124-I1198 HydrophobicContact CE2-CD1 4.44Å; Y1124-I1198 HydrophobicContact CE2-CG2 4.47Å; Y1124-I1198 WeakPolarHBondContact OH-CD1 3.42Å; T1128-I1198 HydrophobicContact CG2-CD1 4.34Å; S1194-I1198 PolarHBondContact O-N 3.26Å; V1195-I1198 PolarHBondContact O-N 3.22Å; S1196-I1198 VanDerWaalsContact C-N 3.29Å; S1196-I1198 PolarHBondContact O-N 2.94Å; I1198-T1200 PolarHBondContact O-N 3.42Å; I1198-L1201 PolarHBondContact O-N 3.3Å; I1198-I1202 HydrophobicContact CG2-CD1 3.98Å; I1198-I1202 VanDerWaalsContact O-CG1 3.29Å; I1198-I1202 WeakPolarHBondContact O-CG1 3.49Å; I1198-I1202 PolarHBondContact O-N 2.89Å
1199F63.8Low58.3Low34 Ų3465.1 Ų65.115%0.14934%0.339CS..Hα-helixtrans-62.1-33.5170.4-69.2-48.8000112.4L1182 V1195 S1196 I1202 L1203 L1248 K1251 V1252L1182-F1199 HydrophobicContact CD2-CD1 4.03Å; L1182-F1199 HydrophobicContact CD2-CE1 3.53Å; L1182-F1199 HydrophobicContact CD2-CZ 4.38Å; V1195-F1199 HydrophobicContact CG1-CD2 3.85Å; V1195-F1199 HydrophobicContact CG1-CE2 3.35Å; V1195-F1199 HydrophobicContact CG1-CZ 4.07Å; V1195-F1199 VanDerWaalsContact O-CD2 3.31Å; V1195-F1199 WeakPolarHBondContact O-CD2 3.36Å; V1195-F1199 PolarHBondContact O-N 3.26Å; S1196-F1199 PolarHBondContact O-N 3.44Å; F1199-I1202 HydrophobicContact CD1-CD1 4.42Å; F1199-I1202 PolarHBondContact O-N 2.99Å; F1199-L1203 VanDerWaalsContact O-CB 3.29Å; F1199-L1203 WeakPolarHBondContact O-CB 3.48Å; F1199-L1203 PolarHBondContact O-N 2.84Å; F1199-L1248 HydrophobicContact CD1-CD2 4Å; F1199-K1251 HydrophobicContact CD2-CB 4.38Å; F1199-K1251 HydrophobicContact CE2-CB 4.48Å; F1199-K1251 HydrophobicContact CE2-CD 4.38Å; F1199-K1251 HydrophobicContact CZ-CD 4.34Å; F1199-V1252 HydrophobicContact CB-CG2 3.59Å
1200T61.6Low59.3Low16 Ų1655.5 Ų55.510%0.09830%0.297CS..Hα-helixtrans-67.8-38.6174.556.50000113.2S1196 H1197 I1198 L1203 D1204 V1252 I1256S1196-T1200 WeakPolarHBondContact O-CG2 3.37Å; S1196-T1200 PolarHBondContact O-N 3.21Å; S1196-T1200 PolarHBondContact O-OG1 2.97Å; H1197-T1200 VanDerWaalsContact C-OG1 3.24Å; H1197-T1200 VanDerWaalsContact CA-OG1 3.31Å; H1197-T1200 WeakPolarHBondContact CA-OG1 3.34Å; H1197-T1200 PolarHBondContact O-N 2.85Å; H1197-T1200 PolarHBondContact O-OG1 3.49Å; I1198-T1200 PolarHBondContact O-N 3.42Å; T1200-L1203 PolarHBondContact O-N 2.92Å; T1200-D1204 WeakPolarHBondContact O-CB 3.46Å; T1200-D1204 PolarHBondContact O-N 3.33Å; T1200-V1252 HydrophobicContact CG2-CG1 3.57Å; T1200-I1256 HydrophobicContact CG2-CB 4.09Å; T1200-I1256 HydrophobicContact CG2-CD1 3.72Å; T1200-I1256 HydrophobicContact CG2-CG2 3.51Å
1201L61.7Low60.1Low76 Ų7647.3 Ų47.340%0.39826%0.26SS..Hα-helixtrans-66.3-40.4174.6-79.9157.6000112.2H1197 I1198 L1203 R1205H1197-L1201 PolarHBondContact O-N 3.35Å; I1198-L1201 PolarHBondContact O-N 3.3Å; L1201-L1203 VanDerWaalsContact C-N 3.35Å; L1201-R1205 PolarHBondContact O-N 2.97Å
1202I63.3Low60.8Low17 Ų1745.7 Ų45.79%0.08725%0.252CS..Hα-helixtrans-64.2-43.5175.1-64.6166.5000109.7F1131 I1198 F1199 C1206 L1248F1131-I1202 HydrophobicContact CE2-CG1 4.2Å; F1131-I1202 HydrophobicContact CZ-CG1 4.18Å; I1198-I1202 HydrophobicContact CG2-CD1 3.98Å; I1198-I1202 VanDerWaalsContact O-CG1 3.29Å; I1198-I1202 WeakPolarHBondContact O-CG1 3.49Å; I1198-I1202 PolarHBondContact O-N 2.89Å; F1199-I1202 HydrophobicContact CD1-CD1 4.42Å; F1199-I1202 PolarHBondContact O-N 2.99Å; I1202-C1206 VanDerWaalsContact O-CB 3.31Å; I1202-C1206 WeakPolarHBondContact O-CB 3.25Å; I1202-C1206 PolarHBondContact O-N 2.6Å; I1202-C1206 PolarHBondContact O-SG 3.24Å; I1202-L1248 HydrophobicContact CB-CD2 4.4Å; I1202-L1248 HydrophobicContact CG2-CD1 3.84Å; I1202-L1248 HydrophobicContact CG2-CD2 3.96Å
1203L68.3Low61.5Low0 Ų041.2 Ų41.20%023%0.228CC..Hα-helixtrans-64-47.6178-175.263.2000112.3F1199 T1200 L1201 R1205 C1206 C1207 L1245 L1248 V1252 T1257 L1260F1199-L1203 VanDerWaalsContact O-CB 3.29Å; F1199-L1203 WeakPolarHBondContact O-CB 3.48Å; F1199-L1203 PolarHBondContact O-N 2.84Å; T1200-L1203 PolarHBondContact O-N 2.92Å; L1201-L1203 VanDerWaalsContact C-N 3.35Å; L1203-R1205 VanDerWaalsContact C-N 3.31Å; L1203-R1205 PolarHBondContact O-N 3.45Å; L1203-C1206 PolarHBondContact O-N 3.16Å; L1203-C1207 WeakPolarHBondContact O-CB 3.18Å; L1203-C1207 PolarHBondContact O-N 3.25Å; L1203-C1207 PolarHBondContact O-SG 3.34Å; L1203-L1245 HydrophobicContact CD1-CD2 3.84Å; L1203-L1248 HydrophobicContact CD1-CB 4.11Å; L1203-L1248 HydrophobicContact CD1-CD1 4.34Å; L1203-V1252 HydrophobicContact CD2-CB 4.4Å; L1203-V1252 HydrophobicContact CD2-CG1 4.24Å; L1203-V1252 HydrophobicContact CD2-CG2 4.3Å; L1203-T1257 HydrophobicContact CD2-CG2 3.95Å; L1203-L1260 HydrophobicContact CB-CD1 4.2Å; L1203-L1260 HydrophobicContact CD2-CD1 3.9Å; L1203-L1260 HydrophobicContact CG-CD1 4.04Å
1204D64.8Low61.9Low22 Ų2237.5 Ų37.512%0.11820%0.202CC..Hα-helixtrans-53.1-47.6177.3-178.867.3000111.4T1200 M1208 L1260 R1263 Y1264T1200-D1204 WeakPolarHBondContact O-CB 3.46Å; T1200-D1204 PolarHBondContact O-N 3.33Å; D1204-M1208 WeakPolarHBondContact O-CB 3.42Å; D1204-M1208 PolarHBondContact O-N 3.44Å; D1204-L1260 HydrophobicContact CB-CD1 4.33Å; D1204-L1260 HydrophobicContact CB-CD2 3.68Å; D1204-L1260 WeakPolarHBondContact OD1-CD2 3.48Å; D1204-R1263 IonicContact OD1-NH1 3.06Å; D1204-Y1264 WeakPolarHBondContact O-CE2 3.38Å; D1204-Y1264 VanDerWaalsContact OD1-CE2 3.28Å; D1204-Y1264 WeakPolarHBondContact OD1-CE2 3.36Å; D1204-Y1264 PolarHBondContact OD1-OH 3.15Å
1205R60.6Low62.2Low102 Ų10238.5 Ų38.539%0.38521%0.206SC..Hα-helixtrans-73.9-38.2179-65.4-58.1-171.4175.52.1113.4F1131 L1201 L1203 C1207 M1208 I1209F1131-R1205 HydrophobicContact CZ-CB 4.3Å; F1131-R1205 HydrophobicContact CZ-CG 4.34Å; L1201-R1205 PolarHBondContact O-N 2.97Å; L1203-R1205 VanDerWaalsContact C-N 3.31Å; L1203-R1205 PolarHBondContact O-N 3.45Å; R1205-C1207 VanDerWaalsContact C-N 3.33Å; R1205-C1207 PolarHBondContact O-N 3Å; R1205-M1208 PolarHBondContact NH1-SD 2.91Å; R1205-M1208 PolarHBondContact O-N 3.45Å; R1205-I1209 VanDerWaalsContact O-CG1 3.24Å; R1205-I1209 WeakPolarHBondContact O-CG1 3.37Å; R1205-I1209 PolarHBondContact O-N 3.49Å
1206C66Low62.3Low3 Ų338.6 Ų38.62%0.0221%0.209CC..Hα-helixtrans-61.5-41.4173.2-77.90000111.5I1202 L1203 I1209 Y1210 L1245I1202-C1206 VanDerWaalsContact O-CB 3.31Å; I1202-C1206 WeakPolarHBondContact O-CB 3.25Å; I1202-C1206 PolarHBondContact O-N 2.6Å; I1202-C1206 PolarHBondContact O-SG 3.24Å; L1203-C1206 PolarHBondContact O-N 3.16Å; C1206-I1209 PolarHBondContact O-N 2.91Å; C1206-Y1210 WeakPolarHBondContact O-CB 3.4Å; C1206-Y1210 PolarHBondContact O-N 3.12Å; C1206-L1245 HydrophobicContact CB-CD2 3.94Å
1207C66.2Low61.5Low1 Ų142.2 Ų42.21%0.00723%0.234CC..Hα-helixtrans-64.2-43.7175.5-72.20000112.1L1203 R1205 Y1210 S1211 Y1264 T1266L1203-C1207 WeakPolarHBondContact O-CB 3.18Å; L1203-C1207 PolarHBondContact O-N 3.25Å; L1203-C1207 PolarHBondContact O-SG 3.34Å; R1205-C1207 VanDerWaalsContact C-N 3.33Å; R1205-C1207 PolarHBondContact O-N 3Å; C1207-Y1210 PolarHBondContact O-N 2.99Å; C1207-S1211 WeakPolarHBondContact O-CB 3.4Å; C1207-S1211 PolarHBondContact O-N 3.1Å; C1207-S1211 PolarHBondContact O-OG 3.27Å; C1207-Y1264 HydrophobicContact CB-CD2 3.74Å; C1207-Y1264 HydrophobicContact CB-CE2 4.37Å; C1207-Y1264 HydrophobicContact CB-CG 4.4Å; C1207-T1266 HydrophobicContact CB-CG2 4.06Å
1208M64.5Low60.9Low63 Ų6341.1 Ų41.131%0.3123%0.228SC..Hα-helixtrans-62-44.5175.6-174.2-169.670.300112.5D1204 R1205 S1211 A1212 Y1264D1204-M1208 WeakPolarHBondContact O-CB 3.42Å; D1204-M1208 PolarHBondContact O-N 3.44Å; R1205-M1208 PolarHBondContact NH1-SD 2.91Å; R1205-M1208 PolarHBondContact O-N 3.45Å; M1208-S1211 PolarHBondContact O-OG 2.95Å; M1208-S1211 VanDerWaalsContact O-OG 3.12Å; M1208-A1212 VanDerWaalsContact O-CB 3.28Å; M1208-A1212 WeakPolarHBondContact O-CB 3.2Å; M1208-A1212 PolarHBondContact O-N 3.41Å; M1208-Y1264 HydrophobicContact CB-CD1 4.09Å; M1208-Y1264 HydrophobicContact CB-CE1 3.61Å; M1208-Y1264 HydrophobicContact CB-CE2 4.3Å; M1208-Y1264 HydrophobicContact CG-CD1 4.3Å; M1208-Y1264 HydrophobicContact CG-CE1 3.69Å
1209I64.5Low60.2Low43 Ų4347.2 Ų47.222%0.22125%0.253CS..Hα-helixtrans-68.2-41.5178.6-65.4165.3000109.9F1170 R1205 C1206 A1212 I1213 F1241F1170-I1209 HydrophobicContact CD1-CD1 4.45Å; F1170-I1209 HydrophobicContact CE1-CD1 3.99Å; F1170-I1209 HydrophobicContact CE2-CD1 4.08Å; F1170-I1209 HydrophobicContact CZ-CD1 3.79Å; R1205-I1209 VanDerWaalsContact O-CG1 3.24Å; R1205-I1209 WeakPolarHBondContact O-CG1 3.37Å; R1205-I1209 PolarHBondContact O-N 3.49Å; C1206-I1209 PolarHBondContact O-N 2.91Å; I1209-A1212 PolarHBondContact O-N 2.74Å; I1209-I1213 HydrophobicContact CG2-CD1 3.86Å; I1209-I1213 HydrophobicContact CG2-CG1 4.44Å; I1209-I1213 VanDerWaalsContact O-CG1 3.22Å; I1209-I1213 WeakPolarHBondContact O-CG1 3.45Å; I1209-I1213 PolarHBondContact O-N 2.97Å; I1209-F1241 HydrophobicContact CB-CE1 4.25Å; I1209-F1241 HydrophobicContact CB-CZ 4.44Å; I1209-F1241 HydrophobicContact CG2-CE1 3.83Å; I1209-F1241 HydrophobicContact CG2-CZ 3.54Å
1210Y68.2Low59.1Low2 Ų249.5 Ų49.51%0.00827%0.271CS..Hα-helixtrans-65.2-43178.6-174.1-116.4000112.2C1206 C1207 I1213 L1214 V1238 F1241 L1245 T1266 T1270C1206-Y1210 WeakPolarHBondContact O-CB 3.4Å; C1206-Y1210 PolarHBondContact O-N 3.12Å; C1207-Y1210 PolarHBondContact O-N 2.99Å; Y1210-I1213 PolarHBondContact O-N 3.19Å; Y1210-L1214 HydrophobicContact CD1-CD1 3.82Å; Y1210-L1214 HydrophobicContact CE1-CD1 3.47Å; Y1210-L1214 VanDerWaalsContact CE1-CD1 3.47Å; Y1210-L1214 HydrophobicContact CE2-CD1 4.25Å; Y1210-L1214 HydrophobicContact CG-CD1 4.36Å; Y1210-L1214 WeakPolarHBondContact O-CG 2.92Å; Y1210-L1214 PolarHBondContact O-N 3.17Å; Y1210-V1238 HydrophobicContact CE2-CG1 4.34Å; Y1210-F1241 HydrophobicContact CD2-CB 3.67Å; Y1210-F1241 HydrophobicContact CD2-CD1 4.05Å; Y1210-F1241 AromaticContact CD2-CG 3.9Å; Y1210-F1241 HydrophobicContact CD2-CG 3.9Å; Y1210-F1241 HydrophobicContact CE2-CB 3.92Å; Y1210-F1241 HydrophobicContact CG-CD1 4.49Å; Y1210-L1245 HydrophobicContact CD1-CD1 3.96Å; Y1210-L1245 HydrophobicContact CE1-CD1 4.25Å; Y1210-L1245 HydrophobicContact CG-CD1 4.09Å; Y1210-T1266 HydrophobicContact CD1-CG2 4.44Å; Y1210-T1270 HydrophobicContact CE1-CG2 3.43Å; Y1210-T1270 VanDerWaalsContact CE1-CG2 3.43Å; Y1210-T1270 WeakPolarHBondContact OH-CG2 3.23Å
1211S63.3Low57.7Low15 Ų1555.6 Ų55.611%0.10531%0.308CS..Hα-helixtrans-66.1-37.8174.4760000111.8C1207 M1208 I1213 L1214 T1215 Y1264C1207-S1211 WeakPolarHBondContact O-CB 3.4Å; C1207-S1211 PolarHBondContact O-N 3.1Å; C1207-S1211 PolarHBondContact O-OG 3.27Å; M1208-S1211 PolarHBondContact O-OG 2.95Å; M1208-S1211 VanDerWaalsContact O-OG 3.12Å; S1211-I1213 PolarHBondContact O-N 3.02Å; S1211-L1214 PolarHBondContact O-N 3.4Å; S1211-T1215 WeakPolarHBondContact O-CB 3.49Å; S1211-T1215 VanDerWaalsContact O-CG2 3.29Å; S1211-T1215 WeakPolarHBondContact O-CG2 3.33Å; S1211-T1215 PolarHBondContact O-N 3.47Å; S1211-T1215 PolarHBondContact O-OG1 3.29Å; S1211-Y1264 WeakPolarHBondContact CB-O 3.47Å
1212A62.1Low56.5Low51 Ų5153.9 Ų53.942%0.42131%0.31SS..Hα-helixtrans-63-40173.500000112.4M1208 I1209 T1215 S1216M1208-A1212 VanDerWaalsContact O-CB 3.28Å; M1208-A1212 WeakPolarHBondContact O-CB 3.2Å; M1208-A1212 PolarHBondContact O-N 3.41Å; I1209-A1212 PolarHBondContact O-N 2.74Å; A1212-T1215 WeakPolarHBondContact CA-OG1 3.4Å; A1212-T1215 PolarHBondContact O-N 3.08Å; A1212-T1215 PolarHBondContact O-OG1 3.49Å; A1212-S1216 WeakPolarHBondContact O-CB 3.49Å; A1212-S1216 PolarHBondContact O-N 2.93Å; A1212-S1216 PolarHBondContact O-OG 2.86Å
1213I63.7Low55Low7 Ų761.1 Ų61.14%0.03635%0.348CS..Hα-helixtrans-63.1-44.4174.9-70.3164.3000110.4L1167 I1209 Y1210 S1211 S1216 F1234 F1241L1167-I1213 HydrophobicContact CD1-CG1 4.17Å; L1167-I1213 HydrophobicContact CD2-CD1 4.16Å; L1167-I1213 HydrophobicContact CD2-CG1 4.21Å; I1209-I1213 HydrophobicContact CG2-CD1 3.86Å; I1209-I1213 HydrophobicContact CG2-CG1 4.44Å; I1209-I1213 VanDerWaalsContact O-CG1 3.22Å; I1209-I1213 WeakPolarHBondContact O-CG1 3.45Å; I1209-I1213 PolarHBondContact O-N 2.97Å; Y1210-I1213 PolarHBondContact O-N 3.19Å; S1211-I1213 PolarHBondContact O-N 3.02Å; I1213-S1216 PolarHBondContact O-OG 3.03Å; I1213-F1234 HydrophobicContact CG2-CE2 4.18Å; I1213-F1241 HydrophobicContact CD1-CD2 4.07Å; I1213-F1241 HydrophobicContact CD1-CE1 4.31Å; I1213-F1241 HydrophobicContact CD1-CE2 3.37Å; I1213-F1241 HydrophobicContact CD1-CZ 3.52Å
1214L63.2Low53.6Low32 Ų3270.5 Ų70.517%0.16839%0.385CS..Hα-helixtrans-72.8-28.5-179.5-67.8169.8000113.7Y1210 S1211 H1269 T1270 L1273Y1210-L1214 HydrophobicContact CD1-CD1 3.82Å; Y1210-L1214 HydrophobicContact CE1-CD1 3.47Å; Y1210-L1214 VanDerWaalsContact CE1-CD1 3.47Å; Y1210-L1214 HydrophobicContact CE2-CD1 4.25Å; Y1210-L1214 HydrophobicContact CG-CD1 4.36Å; Y1210-L1214 WeakPolarHBondContact O-CG 2.92Å; Y1210-L1214 PolarHBondContact O-N 3.17Å; S1211-L1214 PolarHBondContact O-N 3.4Å; L1214-H1269 HydrophobicContact CB-CB 3.92Å; L1214-H1269 HydrophobicContact CD1-CB 3.71Å; L1214-H1269 HydrophobicContact CG-CB 4.43Å; L1214-T1270 HydrophobicContact CD1-CG2 4.01Å; L1214-L1273 HydrophobicContact CD2-CD1 4.16Å; L1214-L1273 HydrophobicContact CD2-CD2 4.3Å
1215T58.8Low52.3Low80 Ų8077.8 Ų77.849%0.49142%0.423SS..Hα-helixtrans-91.7-22.1-179.851.80000113.8S1211 A1212 S1217 H1269S1211-T1215 WeakPolarHBondContact O-CB 3.49Å; S1211-T1215 VanDerWaalsContact O-CG2 3.29Å; S1211-T1215 WeakPolarHBondContact O-CG2 3.33Å; S1211-T1215 PolarHBondContact O-N 3.47Å; S1211-T1215 PolarHBondContact O-OG1 3.29Å; A1212-T1215 WeakPolarHBondContact CA-OG1 3.4Å; A1212-T1215 PolarHBondContact O-N 3.08Å; A1212-T1215 PolarHBondContact O-OG1 3.49Å; T1215-S1217 PolarHBondContact O-N 3.05Å; T1215-H1269 WeakPolarHBondContact CG2-CE1 3.45Å; T1215-H1269 VanDerWaalsContact CG2-NE2 3.33Å; T1215-H1269 WeakPolarHBondContact CG2-NE2 3.43Å
1216S54.1Low51.5Low51 Ų5178.5 Ų78.536%0.35743%0.434SS..SBendtrans-61.9124.2175.666.60000110A1212 I1213 F1218A1212-S1216 WeakPolarHBondContact O-CB 3.49Å; A1212-S1216 PolarHBondContact O-N 2.93Å; A1212-S1216 PolarHBondContact O-OG 2.86Å; I1213-S1216 PolarHBondContact O-OG 3.03Å; S1216-F1218 PolarHBondContact O-N 2.95Å; S1216-F1218 WeakPolarHBondContact OG-CD2 3.33Å; S1216-F1218 VanDerWaalsContact OG-CE2 3.26Å; S1216-F1218 WeakPolarHBondContact OG-CE2 3.31Å
1217S40.2Very low50.3Low110 Ų11085 Ų8577%0.76946%0.463SS*.  trans-69.674.5179.658.50000110.6T1215 K1219T1215-S1217 PolarHBondContact O-N 3.05Å; S1217-K1219 PolarHBondContact O-N 3.39Å
1218F45.8Very low49.4Very low94 Ų9488.6 Ų88.641%0.41249%0.493SS..  trans-71.560.6162.7-81.9-85.2000109.3V1157 S1216 W1230V1157-F1218 HydrophobicContact CG1-CE1 4.4Å; S1216-F1218 PolarHBondContact O-N 2.95Å; S1216-F1218 WeakPolarHBondContact OG-CD2 3.33Å; S1216-F1218 VanDerWaalsContact OG-CE2 3.26Å; S1216-F1218 WeakPolarHBondContact OG-CE2 3.31Å; F1218-W1230 HydrophobicContact CB-CH2 4.48Å; F1218-W1230 HydrophobicContact CB-CZ2 3.79Å; F1218-W1230 HydrophobicContact CG-CZ2 4.39Å
1219K39.9Very low48.7Very low172 Ų17290.5 Ų90.575%0.74850%0.504SS*.  trans-85.5117.5161.5-83.1-176.9175.5176.90106.6S1217 T1221S1217-K1219 PolarHBondContact O-N 3.39Å; K1219-T1221 PolarHBondContact O-N 3.26Å
1220P40.1Very low48Very low82 Ų8292.7 Ų92.753%0.53251%0.51SS..  trans-67.697.6174.227.2-30.7000108.2G1222 F1227P1220-G1222 VanDerWaalsContact C-N 3.32Å; P1220-G1222 PolarHBondContact O-N 3.19Å; P1220-G1222 VanDerWaalsContact O-N 3.16Å; P1220-F1227 HydrophobicContact CG-CE2 4.46Å
1221T32.7Very low47.4Very low144 Ų14495.5 Ų95.588%0.88353%0.525SS*.  trans-78.686.1165.150.80000107.6K1219K1219-T1221 PolarHBondContact O-N 3.26Å
1222G35.6Very low47.2Very low41 Ų4198.1 Ų98.142%0.42354%0.543SS..SBendtrans154132.9173.700000112.9P1220 Y1224P1220-G1222 VanDerWaalsContact C-N 3.32Å; P1220-G1222 PolarHBondContact O-N 3.19Å; P1220-G1222 VanDerWaalsContact O-N 3.16Å; G1222-Y1224 WeakPolarHBondContact O-CD2 3.46Å; G1222-Y1224 PolarHBondContact O-N 3.3Å
1223D33Very low46.9Very low168 Ų16897.8 Ų97.890%0.89854%0.54SS*.  trans-56.387.7179.2-67.2-42.4000112.3
1224Y37.6Very low46.9Very low197 Ų19799.4 Ų99.477%0.77355%0.547SS*.  trans-118.5103.5170-73.4-79.1000110.1G1222 N1226G1222-Y1224 WeakPolarHBondContact O-CD2 3.46Å; G1222-Y1224 PolarHBondContact O-N 3.3Å; Y1224-N1226 PolarHBondContact O-N 2.58Å
1225L38Very low46.9Very low176 Ų17699.1 Ų99.192%0.92155%0.547SS*.SBendtrans-61.712.8179-84.8135.2000115.6
1226N44.2Very low47.1Very low116 Ų11697.5 Ų97.562%0.6254%0.542SS*.  trans-119.354.9-177.4-74-1.3000113Y1224 A1228 D1229Y1224-N1226 PolarHBondContact O-N 2.58Å; N1226-A1228 PolarHBondContact O-N 3.37Å; N1226-A1228 VanDerWaalsContact O-N 3.08Å; N1226-D1229 PolarHBondContact O-N 3.39Å
1227F40.5Very low47.5Very low139 Ų13996.8 Ų96.861%0.6154%0.535SS*.Hα-helixtrans-61.9-12.7179.7-126.4-91.1000114.9P1220P1220-F1227 HydrophobicContact CG-CE2 4.46Å
1228A47.9Very low48.8Very low77 Ų7791.7 Ų91.764%0.63650%0.499SS*.Hα-helixtrans-81.5-36.9-177.600000113.7N1226N1226-A1228 PolarHBondContact O-N 3.37Å; N1226-A1228 VanDerWaalsContact O-N 3.08Å
1229D49Very low49.8Very low104 Ų10489.9 Ų89.956%0.55649%0.493SS*.Hα-helixtrans-73-35.6-177.9-67.2-28.1000111.4N1226 N1231 S1232 A1233N1226-D1229 PolarHBondContact O-N 3.39Å; D1229-N1231 PolarHBondContact O-N 3.1Å; D1229-S1232 PolarHBondContact O-N 3.36Å; D1229-S1232 VanDerWaalsContact O-N 3.16Å; D1229-S1232 PolarHBondContact O-OG 3.28Å; D1229-A1233 PolarHBondContact O-N 3.44Å
1230W50.8Low51.1Low89 Ų8984.6 Ų84.634%0.33747%0.473SS..Hα-helixtrans-60.7-42.5178.1-168.880.5000112.2F1218 S1232 F1234F1218-W1230 HydrophobicContact CB-CH2 4.48Å; F1218-W1230 HydrophobicContact CB-CZ2 3.79Å; F1218-W1230 HydrophobicContact CG-CZ2 4.39Å; W1230-S1232 VanDerWaalsContact C-N 3.31Å; W1230-S1232 PolarHBondContact O-N 2.98Å; W1230-F1234 WeakPolarHBondContact O-CB 3.16Å; W1230-F1234 PolarHBondContact O-N 2.83Å; W1230-F1234 VanDerWaalsContact O-N 3.15Å
1231N55.6Low52.6Low61 Ų6180.8 Ų80.833%0.32645%0.448SS..Hα-helixtrans-64-33.4176.2-88.5-10.4000112.7D1229 T1235D1229-N1231 PolarHBondContact O-N 3.1Å; N1231-T1235 VanDerWaalsContact O-CB 3.29Å; N1231-T1235 WeakPolarHBondContact O-CB 3.4Å; N1231-T1235 VanDerWaalsContact O-CG2 3.25Å; N1231-T1235 WeakPolarHBondContact O-CG2 3.47Å; N1231-T1235 PolarHBondContact O-N 3.33Å; N1231-T1235 PolarHBondContact O-OG1 3.25Å
1232S58.5Low54.3Low69 Ų6974 Ų7448%0.48341%0.406SS..Hα-helixtrans-74.1-40-178.375.90000113.5D1229 W1230 T1235 A1236D1229-S1232 PolarHBondContact O-N 3.36Å; D1229-S1232 VanDerWaalsContact O-N 3.16Å; D1229-S1232 PolarHBondContact O-OG 3.28Å; W1230-S1232 VanDerWaalsContact C-N 3.31Å; W1230-S1232 PolarHBondContact O-N 2.98Å; S1232-T1235 WeakPolarHBondContact CA-OG1 3.32Å; S1232-T1235 PolarHBondContact O-OG1 2.99Å; S1232-A1236 WeakPolarHBondContact O-CB 3.37Å; S1232-A1236 PolarHBondContact O-N 3.39Å
1233A55.8Low55.9Low44 Ų4473.7 Ų73.736%0.36440%0.398SS..Hα-helixtrans-74.5-41.6179.700000111.2D1229 A1236 V1237D1229-A1233 PolarHBondContact O-N 3.44Å; A1233-A1236 PolarHBondContact O-N 3.38Å; A1233-V1237 WeakPolarHBondContact O-CG2 3.2Å; A1233-V1237 PolarHBondContact O-N 3.48Å
1234F63.1Low57.6Low41 Ų4165.8 Ų65.818%0.1836%0.356CS..Hα-helixtrans-64.2-44.7175.3-175.3-98.3000111.4I1213 W1230 A1236 V1237 V1238 L1273I1213-F1234 HydrophobicContact CG2-CE2 4.18Å; W1230-F1234 WeakPolarHBondContact O-CB 3.16Å; W1230-F1234 PolarHBondContact O-N 2.83Å; W1230-F1234 VanDerWaalsContact O-N 3.15Å; F1234-A1236 VanDerWaalsContact C-N 3.34Å; F1234-A1236 PolarHBondContact O-N 2.95Å; F1234-V1237 PolarHBondContact O-N 2.88Å; F1234-V1238 HydrophobicContact CD1-CG2 4.05Å; F1234-V1238 HydrophobicContact CE1-CG2 3.67Å; F1234-V1238 HydrophobicContact CE2-CG2 4.31Å; F1234-V1238 HydrophobicContact CZ-CG2 3.82Å; F1234-V1238 VanDerWaalsContact O-CG2 3.3Å; F1234-V1238 WeakPolarHBondContact O-CG2 3.49Å; F1234-V1238 PolarHBondContact O-N 3.36Å; F1234-L1273 HydrophobicContact CE1-CD1 3.81Å; F1234-L1273 HydrophobicContact CZ-CD1 4.18Å
1235T62.9Low59.2Low26 Ų2656.5 Ų56.516%0.1632%0.319CS..Hα-helixtrans-61.9-39.1174.2450000112.5N1231 S1232 V1238 L1239N1231-T1235 VanDerWaalsContact O-CB 3.29Å; N1231-T1235 WeakPolarHBondContact O-CB 3.4Å; N1231-T1235 VanDerWaalsContact O-CG2 3.25Å; N1231-T1235 WeakPolarHBondContact O-CG2 3.47Å; N1231-T1235 PolarHBondContact O-N 3.33Å; N1231-T1235 PolarHBondContact O-OG1 3.25Å; S1232-T1235 WeakPolarHBondContact CA-OG1 3.32Å; S1232-T1235 PolarHBondContact O-OG1 2.99Å; T1235-V1238 PolarHBondContact O-N 2.97Å; T1235-L1239 VanDerWaalsContact O-CB 3.27Å; T1235-L1239 WeakPolarHBondContact O-CB 3.46Å; T1235-L1239 WeakPolarHBondContact O-CD1 3.37Å; T1235-L1239 WeakPolarHBondContact O-CG 3.47Å; T1235-L1239 PolarHBondContact O-N 3.37Å
1236A63Low60.6Low47 Ų4749.5 Ų49.539%0.38828%0.283SS..Hα-helixtrans-63.1-42.3175.600000112.8S1232 A1233 F1234 L1239 L1240S1232-A1236 WeakPolarHBondContact O-CB 3.37Å; S1232-A1236 PolarHBondContact O-N 3.39Å; A1233-A1236 PolarHBondContact O-N 3.38Å; F1234-A1236 VanDerWaalsContact C-N 3.34Å; F1234-A1236 PolarHBondContact O-N 2.95Å; A1236-L1239 PolarHBondContact O-N 3.28Å; A1236-L1240 WeakPolarHBondContact O-CB 3.48Å; A1236-L1240 WeakPolarHBondContact O-CG 3.46Å; A1236-L1240 PolarHBondContact O-N 2.93Å
1237V63.8Low61.7Low36 Ų3644.8 Ų44.822%0.21826%0.259CS..Hα-helixtrans-63.9-47.5175.51730000110.4A1233 F1234 L1239 L1240 F1241A1233-V1237 WeakPolarHBondContact O-CG2 3.2Å; A1233-V1237 PolarHBondContact O-N 3.48Å; F1234-V1237 PolarHBondContact O-N 2.88Å; V1237-L1239 VanDerWaalsContact C-N 3.35Å; V1237-L1239 PolarHBondContact O-N 2.89Å; V1237-L1240 PolarHBondContact O-N 3.47Å; V1237-F1241 HydrophobicContact CG1-CD2 3.87Å; V1237-F1241 HydrophobicContact CG1-CE2 3.97Å; V1237-F1241 WeakPolarHBondContact O-CD2 3.43Å; V1237-F1241 PolarHBondContact O-N 3.27Å
1238V67.3Low63Low2 Ų238.1 Ų38.11%0.01223%0.23CC..Hα-helixtrans-62.7-40.4178.5174.40000111.6Y1210 F1234 T1235 F1241 L1242 L1273 L1285Y1210-V1238 HydrophobicContact CE2-CG1 4.34Å; F1234-V1238 HydrophobicContact CD1-CG2 4.05Å; F1234-V1238 HydrophobicContact CE1-CG2 3.67Å; F1234-V1238 HydrophobicContact CE2-CG2 4.31Å; F1234-V1238 HydrophobicContact CZ-CG2 3.82Å; F1234-V1238 VanDerWaalsContact O-CG2 3.3Å; F1234-V1238 WeakPolarHBondContact O-CG2 3.49Å; F1234-V1238 PolarHBondContact O-N 3.36Å; T1235-V1238 PolarHBondContact O-N 2.97Å; V1238-F1241 PolarHBondContact O-N 2.73Å; V1238-L1242 HydrophobicContact CG1-CD1 3.84Å; V1238-L1242 HydrophobicContact CG1-CG 4.3Å; V1238-L1242 WeakPolarHBondContact O-CB 3.33Å; V1238-L1242 VanDerWaalsContact O-CG 3.3Å; V1238-L1242 WeakPolarHBondContact O-CG 3.41Å; V1238-L1242 PolarHBondContact O-N 3.42Å; V1238-L1273 HydrophobicContact CG1-CD2 4.31Å; V1238-L1285 HydrophobicContact CB-CD1 4.41Å; V1238-L1285 HydrophobicContact CG1-CD1 3.65Å
1239L67.4Low64Low56 Ų5635 Ų3529%0.29320%0.202SC..Hα-helixtrans-64.3-40.9175.5-74.8168.7000112.3T1235 A1236 V1237 L1242 S1243 A1284 L1285 A1288T1235-L1239 VanDerWaalsContact O-CB 3.27Å; T1235-L1239 WeakPolarHBondContact O-CB 3.46Å; T1235-L1239 WeakPolarHBondContact O-CD1 3.37Å; T1235-L1239 WeakPolarHBondContact O-CG 3.47Å; T1235-L1239 PolarHBondContact O-N 3.37Å; A1236-L1239 PolarHBondContact O-N 3.28Å; V1237-L1239 VanDerWaalsContact C-N 3.35Å; V1237-L1239 PolarHBondContact O-N 2.89Å; L1239-L1242 PolarHBondContact O-N 3.45Å; L1239-S1243 WeakPolarHBondContact O-CB 3.38Å; L1239-S1243 PolarHBondContact O-N 3.1Å; L1239-A1284 HydrophobicContact CD1-CB 4.45Å; L1239-L1285 HydrophobicContact CD2-CD1 4.47Å; L1239-A1288 HydrophobicContact CD2-CB 3.71Å
1240L67.4Low64.8Low62 Ų6236.1 Ų36.133%0.32520%0.204SC..Hα-helixtrans-62.7-45.7175.2-79.1167.3000111.2A1236 V1237 S1243 V1244A1236-L1240 WeakPolarHBondContact O-CB 3.48Å; A1236-L1240 WeakPolarHBondContact O-CG 3.46Å; A1236-L1240 PolarHBondContact O-N 2.93Å; V1237-L1240 PolarHBondContact O-N 3.47Å; L1240-S1243 PolarHBondContact O-N 3.36Å; L1240-S1243 PolarHBondContact O-OG 2.83Å; L1240-V1244 PolarHBondContact O-N 3.47Å; L1240-V1244 VanDerWaalsContact O-N 3.13Å
1241F70.2Confident65.4Low2 Ų235 Ų351%0.00920%0.202CC..Hα-helixtrans-61.4-48.4175.2-91.5-84.7000112.2F1170 L1175 I1209 Y1210 I1213 V1237 V1238 S1243 V1244 L1245F1170-F1241 AromaticContact CD1-CZ 3.88Å; F1170-F1241 HydrophobicContact CD1-CZ 3.88Å; F1170-F1241 AromaticContact CE1-CE1 3.94Å; F1170-F1241 HydrophobicContact CE1-CE1 3.94Å; F1170-F1241 AromaticContact CE1-CZ 3.74Å; F1170-F1241 HydrophobicContact CE1-CZ 3.74Å; L1175-F1241 HydrophobicContact CD1-CD2 4.13Å; L1175-F1241 HydrophobicContact CD1-CE1 4.38Å; L1175-F1241 HydrophobicContact CD1-CE2 3.6Å; L1175-F1241 HydrophobicContact CD1-CZ 3.75Å; L1175-F1241 HydrophobicContact CD2-CD1 4.32Å; L1175-F1241 HydrophobicContact CD2-CE1 4.42Å; L1175-F1241 HydrophobicContact CD2-CG 4.36Å; I1209-F1241 HydrophobicContact CB-CE1 4.25Å; I1209-F1241 HydrophobicContact CB-CZ 4.44Å; I1209-F1241 HydrophobicContact CG2-CE1 3.83Å; I1209-F1241 HydrophobicContact CG2-CZ 3.54Å; Y1210-F1241 HydrophobicContact CD2-CB 3.67Å; Y1210-F1241 HydrophobicContact CD2-CD1 4.05Å; Y1210-F1241 AromaticContact CD2-CG 3.9Å; Y1210-F1241 HydrophobicContact CD2-CG 3.9Å; Y1210-F1241 HydrophobicContact CE2-CB 3.92Å; Y1210-F1241 HydrophobicContact CG-CD1 4.49Å; I1213-F1241 HydrophobicContact CD1-CD2 4.07Å; I1213-F1241 HydrophobicContact CD1-CE1 4.31Å; I1213-F1241 HydrophobicContact CD1-CE2 3.37Å; I1213-F1241 HydrophobicContact CD1-CZ 3.52Å; V1237-F1241 HydrophobicContact CG1-CD2 3.87Å; V1237-F1241 HydrophobicContact CG1-CE2 3.97Å; V1237-F1241 WeakPolarHBondContact O-CD2 3.43Å; V1237-F1241 PolarHBondContact O-N 3.27Å; V1238-F1241 PolarHBondContact O-N 2.73Å; F1241-S1243 PolarHBondContact O-N 3.18Å; F1241-V1244 PolarHBondContact O-N 2.99Å; F1241-L1245 WeakPolarHBondContact O-CB 3.36Å; F1241-L1245 VanDerWaalsContact O-CG 3.3Å; F1241-L1245 WeakPolarHBondContact O-CG 3.46Å; F1241-L1245 PolarHBondContact O-N 3.34Å
1242L69Low65.9Low0 Ų032.6 Ų32.60%019%0.189CC..Hα-helixtrans-60.4-34.4177-73.3170.7000112V1238 L1239 N1246 L1285 A1288 V1289 F1292V1238-L1242 HydrophobicContact CG1-CD1 3.84Å; V1238-L1242 HydrophobicContact CG1-CG 4.3Å; V1238-L1242 WeakPolarHBondContact O-CB 3.33Å; V1238-L1242 VanDerWaalsContact O-CG 3.3Å; V1238-L1242 WeakPolarHBondContact O-CG 3.41Å; V1238-L1242 PolarHBondContact O-N 3.42Å; L1239-L1242 PolarHBondContact O-N 3.45Å; L1242-N1246 VanDerWaalsContact O-CB 3.28Å; L1242-N1246 WeakPolarHBondContact O-CB 3.12Å; L1242-N1246 VanDerWaalsContact O-CG 3.27Å; L1242-N1246 PolarHBondContact O-N 2.99Å; L1242-N1246 PolarHBondContact O-ND2 3.43Å; L1242-L1285 HydrophobicContact CD1-CD1 4.09Å; L1242-A1288 HydrophobicContact CB-CB 4.43Å; L1242-A1288 HydrophobicContact CD1-CB 3.93Å; L1242-V1289 HydrophobicContact CD1-CG2 3.85Å; L1242-F1292 HydrophobicContact CD2-CB 4.08Å; L1242-F1292 HydrophobicContact CD2-CD1 4.3Å; L1242-F1292 HydrophobicContact CD2-CD2 3.97Å; L1242-F1292 HydrophobicContact CD2-CE2 4.46Å; L1242-F1292 HydrophobicContact CD2-CG 3.87Å
1243S68.6Low66.1Low36 Ų3632 Ų3225%0.25218%0.184SC..Hα-helixtrans-68.1-39.3176.880.40000113.2L1239 L1240 F1241 S1247L1239-S1243 WeakPolarHBondContact O-CB 3.38Å; L1239-S1243 PolarHBondContact O-N 3.1Å; L1240-S1243 PolarHBondContact O-N 3.36Å; L1240-S1243 PolarHBondContact O-OG 2.83Å; F1241-S1243 PolarHBondContact O-N 3.18Å; S1243-S1247 WeakPolarHBondContact O-CB 3.37Å; S1243-S1247 PolarHBondContact O-N 2.97Å; S1243-S1247 VanDerWaalsContact O-N 3.16Å; S1243-S1247 PolarHBondContact O-OG 3.49Å
1244V69.1Low66.3Low1 Ų132.9 Ų32.91%0.00619%0.185CC..Hα-helixtrans-74.4-42.2178.11710000110.3L1175 L1182 L1240 F1241 S1247 L1248L1175-V1244 HydrophobicContact CD2-CB 4.04Å; L1175-V1244 HydrophobicContact CD2-CG1 4.41Å; L1175-V1244 HydrophobicContact CD2-CG2 3.74Å; L1182-V1244 HydrophobicContact CD1-CG1 4.06Å; L1240-V1244 PolarHBondContact O-N 3.47Å; L1240-V1244 VanDerWaalsContact O-N 3.13Å; F1241-V1244 PolarHBondContact O-N 2.99Å; V1244-S1247 PolarHBondContact O-N 2.98Å; V1244-L1248 HydrophobicContact CG1-CD1 3.87Å; V1244-L1248 HydrophobicContact CG1-CG 4.45Å; V1244-L1248 VanDerWaalsContact O-CG 3.31Å; V1244-L1248 WeakPolarHBondContact O-CG 3.42Å; V1244-L1248 PolarHBondContact O-N 2.87Å
1245L70.5Confident66.3Low2 Ų234.9 Ų34.91%0.0120%0.204CC..Hα-helixtrans-59.8-47.2173.7-71.3170.8000111.5L1203 C1206 Y1210 F1241 S1247 L1248 L1249 F1292L1203-L1245 HydrophobicContact CD1-CD2 3.84Å; C1206-L1245 HydrophobicContact CB-CD2 3.94Å; Y1210-L1245 HydrophobicContact CD1-CD1 3.96Å; Y1210-L1245 HydrophobicContact CE1-CD1 4.25Å; Y1210-L1245 HydrophobicContact CG-CD1 4.09Å; F1241-L1245 WeakPolarHBondContact O-CB 3.36Å; F1241-L1245 VanDerWaalsContact O-CG 3.3Å; F1241-L1245 WeakPolarHBondContact O-CG 3.46Å; F1241-L1245 PolarHBondContact O-N 3.34Å; L1245-S1247 VanDerWaalsContact C-N 3.29Å; L1245-S1247 PolarHBondContact O-N 3.16Å; L1245-L1248 PolarHBondContact O-N 2.99Å; L1245-L1248 VanDerWaalsContact O-N 3.13Å; L1245-L1249 WeakPolarHBondContact O-CB 3.27Å; L1245-L1249 VanDerWaalsContact O-CG 3.25Å; L1245-L1249 WeakPolarHBondContact O-CG 3.46Å; L1245-L1249 PolarHBondContact O-N 3.09Å; L1245-F1292 HydrophobicContact CB-CD2 4.43Å; L1245-F1292 HydrophobicContact CB-CE2 4.06Å; L1245-F1292 HydrophobicContact CD1-CE2 4.19Å
1246N68.7Low66.2Low30 Ų3036.5 Ų36.516%0.1621%0.21CC..Hα-helixtrans-58.9-40.5175.7-80.6-14.3000112.5L1242 L1248 L1249 E1250 F1292L1242-N1246 VanDerWaalsContact O-CB 3.28Å; L1242-N1246 WeakPolarHBondContact O-CB 3.12Å; L1242-N1246 VanDerWaalsContact O-CG 3.27Å; L1242-N1246 PolarHBondContact O-N 2.99Å; L1242-N1246 PolarHBondContact O-ND2 3.43Å; N1246-L1248 VanDerWaalsContact C-N 3.32Å; N1246-L1248 PolarHBondContact O-N 3.3Å; N1246-L1249 PolarHBondContact O-N 3.19Å; N1246-E1250 PolarHBondContact O-N 3.37Å; N1246-F1292 VanDerWaalsContact OD1-CA 3.23Å; N1246-F1292 WeakPolarHBondContact OD1-CA 3.46Å
1247S67.5Low66.2Low16 Ų1634.5 Ų34.511%0.11219%0.193CC..Hα-helixtrans-70.8-27.2178.8-53.80000112.9S1243 V1244 L1245S1243-S1247 WeakPolarHBondContact O-CB 3.37Å; S1243-S1247 PolarHBondContact O-N 2.97Å; S1243-S1247 VanDerWaalsContact O-N 3.16Å; S1243-S1247 PolarHBondContact O-OG 3.49Å; V1244-S1247 PolarHBondContact O-N 2.98Å; L1245-S1247 VanDerWaalsContact C-N 3.29Å; L1245-S1247 PolarHBondContact O-N 3.16Å
1248L67.8Low66.2Low0 Ų034.1 Ų34.10%019%0.192CC..Hα-helixtrans-79.7-40.8174.9-72.3166.2000111.6L1182 F1199 I1202 L1203 V1244 L1245 N1246 E1250 K1251 V1252L1182-L1248 HydrophobicContact CD1-CD2 3.81Å; L1182-L1248 HydrophobicContact CD1-CG 3.79Å; L1182-L1248 HydrophobicContact CD2-CD2 3.73Å; L1182-L1248 HydrophobicContact CD2-CG 4.48Å; L1182-L1248 HydrophobicContact CG-CD2 4.44Å; F1199-L1248 HydrophobicContact CD1-CD2 4Å; I1202-L1248 HydrophobicContact CB-CD2 4.4Å; I1202-L1248 HydrophobicContact CG2-CD1 3.84Å; I1202-L1248 HydrophobicContact CG2-CD2 3.96Å; L1203-L1248 HydrophobicContact CD1-CB 4.11Å; L1203-L1248 HydrophobicContact CD1-CD1 4.34Å; V1244-L1248 HydrophobicContact CG1-CD1 3.87Å; V1244-L1248 HydrophobicContact CG1-CG 4.45Å; V1244-L1248 VanDerWaalsContact O-CG 3.31Å; V1244-L1248 WeakPolarHBondContact O-CG 3.42Å; V1244-L1248 PolarHBondContact O-N 2.87Å; L1245-L1248 PolarHBondContact O-N 2.99Å; L1245-L1248 VanDerWaalsContact O-N 3.13Å; N1246-L1248 VanDerWaalsContact C-N 3.32Å; N1246-L1248 PolarHBondContact O-N 3.3Å; L1248-E1250 PolarHBondContact O-N 3.14Å; L1248-K1251 PolarHBondContact O-N 3.46Å; L1248-V1252 WeakPolarHBondContact O-CG2 3.23Å; L1248-V1252 PolarHBondContact O-N 3.08Å
1249L67.8Low66.1Low11 Ų1139.3 Ų39.36%0.05822%0.22CC..Hα-helixtrans-61.2-30.2178.9-73.2168.2000112.6L1245 N1246 K1251 T1257 L1261 F1292 I1296L1245-L1249 WeakPolarHBondContact O-CB 3.27Å; L1245-L1249 VanDerWaalsContact O-CG 3.25Å; L1245-L1249 WeakPolarHBondContact O-CG 3.46Å; L1245-L1249 PolarHBondContact O-N 3.09Å; N1246-L1249 PolarHBondContact O-N 3.19Å; L1249-K1251 VanDerWaalsContact C-N 3.26Å; L1249-K1251 PolarHBondContact O-N 3.16Å; L1249-T1257 HydrophobicContact CD2-CG2 3.86Å; L1249-L1261 HydrophobicContact CD2-CD1 4.28Å; L1249-F1292 HydrophobicContact CD1-CD2 3.85Å; L1249-F1292 HydrophobicContact CD1-CE2 3.74Å; L1249-I1296 HydrophobicContact CD1-CD1 3.93Å; L1249-I1296 HydrophobicContact CD1-CG1 3.81Å
1250E66.1Low66Low127 Ų12737.5 Ų37.559%0.59321%0.211SC*.THydrogen-bonded Turntrans-70.9-17.4174.9-74.3178.6-177.400114N1246 L1248N1246-E1250 PolarHBondContact O-N 3.37Å; L1248-E1250 PolarHBondContact O-N 3.14Å
1251K64.4Low66Low66 Ų6634.6 Ų34.629%0.28720%0.196SC..THydrogen-bonded Turntrans-116-10.8-170.8-59.5-160.8-174.1-171.10115.3L1182 C1185 F1199 L1248 L1249L1182-K1251 WeakPolarHBondContact O-CE 3.16Å; L1182-K1251 PolarHBondContact O-NZ 2.56Å; C1185-K1251 PolarHBondContact O-NZ 3.43Å; F1199-K1251 HydrophobicContact CD2-CB 4.38Å; F1199-K1251 HydrophobicContact CE2-CB 4.48Å; F1199-K1251 HydrophobicContact CE2-CD 4.38Å; F1199-K1251 HydrophobicContact CZ-CD 4.34Å; L1248-K1251 PolarHBondContact O-N 3.46Å; L1249-K1251 VanDerWaalsContact C-N 3.26Å; L1249-K1251 PolarHBondContact O-N 3.16Å
1252V64.1Low65.9Low10 Ų1040 Ų406%0.06122%0.221CC..SBendtrans-100.5138.6-179.8176.90000109.6F1199 T1200 L1203 L1248 V1254 I1256 T1257F1199-V1252 HydrophobicContact CB-CG2 3.59Å; T1200-V1252 HydrophobicContact CG2-CG1 3.57Å; L1203-V1252 HydrophobicContact CD2-CB 4.4Å; L1203-V1252 HydrophobicContact CD2-CG1 4.24Å; L1203-V1252 HydrophobicContact CD2-CG2 4.3Å; L1248-V1252 WeakPolarHBondContact O-CG2 3.23Å; L1248-V1252 PolarHBondContact O-N 3.08Å; V1252-V1254 PolarHBondContact O-N 3.36Å; V1252-I1256 HydrophobicContact CG1-CB 4.2Å; V1252-T1257 HydrophobicContact CB-CG2 3.88Å; V1252-T1257 HydrophobicContact CG1-CG2 3.71Å
1253P63.7Low65.9Low57 Ų5748.3 Ų48.337%0.3725%0.252SS..  trans-54.2133173.5-24.532.9000111.8S1196 S1255 I1256 T1257S1196-P1253 WeakPolarHBondContact OG-CD 3.37Å; P1253-S1255 PolarHBondContact O-N 3.19Å; P1253-S1255 VanDerWaalsContact O-N 3.11Å; P1253-I1256 HydrophobicContact CB-CD1 4.48Å; P1253-I1256 HydrophobicContact CG-CD1 4.39Å; P1253-I1256 PolarHBondContact O-N 3.34Å; P1253-T1257 PolarHBondContact O-N 2.9Å
1254V59.9Low65.9Low63 Ų6348.6 Ų48.638%0.38225%0.248SC..Hα-helixtrans-50.3-39.5-174.71720000113.2V1252 I1256 T1257 S1258 F1298V1252-V1254 PolarHBondContact O-N 3.36Å; V1254-I1256 VanDerWaalsContact C-N 3.29Å; V1254-I1256 PolarHBondContact O-N 2.92Å; V1254-T1257 PolarHBondContact O-N 3.33Å; V1254-T1257 PolarHBondContact O-OG1 2.76Å; V1254-S1258 PolarHBondContact O-N 2.95Å; V1254-F1298 HydrophobicContact CB-CG 4.48Å; V1254-F1298 HydrophobicContact CG1-CB 3.34Å; V1254-F1298 HydrophobicContact CG1-CD1 4Å; V1254-F1298 HydrophobicContact CG1-CD2 4.01Å; V1254-F1298 HydrophobicContact CG1-CG 3.54Å; V1254-F1298 HydrophobicContact CG2-CD1 4Å; V1254-F1298 HydrophobicContact CG2-CD2 4.23Å; V1254-F1298 HydrophobicContact CG2-CE1 4.08Å; V1254-F1298 HydrophobicContact CG2-CE2 4.21Å; V1254-F1298 HydrophobicContact CG2-CG 4.11Å; V1254-F1298 HydrophobicContact CG2-CZ 4.2Å
1255S62.1Low65.8Low83 Ų8353 Ų5358%0.5827%0.272SS*.Hα-helixtrans-63.1-28.7-179.460.40000114.6P1253 S1258P1253-S1255 PolarHBondContact O-N 3.19Å; P1253-S1255 VanDerWaalsContact O-N 3.11Å; S1255-S1258 PolarHBondContact O-OG 3.44Å
1256I62.3Low65.6Low59 Ų5953 Ų5330%0.30327%0.271SS..Hα-helixtrans-86.5-27.4-179.8-52.9173.1000110.1T1200 V1252 P1253 V1254 L1260T1200-I1256 HydrophobicContact CG2-CB 4.09Å; T1200-I1256 HydrophobicContact CG2-CD1 3.72Å; T1200-I1256 HydrophobicContact CG2-CG2 3.51Å; V1252-I1256 HydrophobicContact CG1-CB 4.2Å; P1253-I1256 HydrophobicContact CB-CD1 4.48Å; P1253-I1256 HydrophobicContact CG-CD1 4.39Å; P1253-I1256 PolarHBondContact O-N 3.34Å; V1254-I1256 VanDerWaalsContact C-N 3.29Å; V1254-I1256 PolarHBondContact O-N 2.92Å; I1256-L1260 HydrophobicContact CG2-CD1 3.92Å; I1256-L1260 HydrophobicContact CG2-CG 4.29Å; I1256-L1260 WeakPolarHBondContact O-CB 3.36Å; I1256-L1260 VanDerWaalsContact O-CG 3.28Å; I1256-L1260 WeakPolarHBondContact O-CG 3.31Å; I1256-L1260 PolarHBondContact O-N 3.42Å
1257T63.2Low65.6Low5 Ų554.5 Ų54.53%0.03128%0.275CS..Hα-helixtrans-68.4-3817866.40000112.4L1203 L1249 V1252 P1253 V1254 L1261L1203-T1257 HydrophobicContact CD2-CG2 3.95Å; L1249-T1257 HydrophobicContact CD2-CG2 3.86Å; V1252-T1257 HydrophobicContact CB-CG2 3.88Å; V1252-T1257 HydrophobicContact CG1-CG2 3.71Å; P1253-T1257 PolarHBondContact O-N 2.9Å; V1254-T1257 PolarHBondContact O-N 3.33Å; V1254-T1257 PolarHBondContact O-OG1 2.76Å; T1257-L1261 WeakPolarHBondContact O-CB 3.49Å; T1257-L1261 VanDerWaalsContact O-CD1 3.26Å; T1257-L1261 WeakPolarHBondContact O-CD1 3.33Å; T1257-L1261 WeakPolarHBondContact O-CG 3.43Å; T1257-L1261 PolarHBondContact O-N 2.9Å; T1257-L1261 VanDerWaalsContact O-N 3.12Å
1258S63Low65.6Low28 Ų2857.3 Ų57.320%0.19629%0.291CS..Hα-helixtrans-62.2-51.5176.853.20000111.4V1254 S1255 L1260 L1261 E1262V1254-S1258 PolarHBondContact O-N 2.95Å; S1255-S1258 PolarHBondContact O-OG 3.44Å; S1258-L1260 PolarHBondContact O-N 3.09Å; S1258-L1261 PolarHBondContact O-N 3.4Å; S1258-E1262 WeakPolarHBondContact O-CG 3.44Å; S1258-E1262 PolarHBondContact O-N 3.49Å
1259D66.2Low65.7Low111 Ų11159.6 Ų59.659%0.59430%0.302SS*.Hα-helixtrans-59.8-44.4-178.1-74.10.9000112R1263D1259-R1263 VanDerWaalsContact O-CB 3.28Å; D1259-R1263 WeakPolarHBondContact O-CB 3.22Å; D1259-R1263 PolarHBondContact O-N 3.34Å
1260L64.9Low65.6Low18 Ų1859.2 Ų59.29%0.09430%0.3CS..Hα-helixtrans-68-39.6-179.1-73.2175.8000112.4L1203 D1204 I1256 S1258 Y1264L1203-L1260 HydrophobicContact CB-CD1 4.2Å; L1203-L1260 HydrophobicContact CD2-CD1 3.9Å; L1203-L1260 HydrophobicContact CG-CD1 4.04Å; D1204-L1260 HydrophobicContact CB-CD1 4.33Å; D1204-L1260 HydrophobicContact CB-CD2 3.68Å; D1204-L1260 WeakPolarHBondContact OD1-CD2 3.48Å; I1256-L1260 HydrophobicContact CG2-CD1 3.92Å; I1256-L1260 HydrophobicContact CG2-CG 4.29Å; I1256-L1260 WeakPolarHBondContact O-CB 3.36Å; I1256-L1260 VanDerWaalsContact O-CG 3.28Å; I1256-L1260 WeakPolarHBondContact O-CG 3.31Å; I1256-L1260 PolarHBondContact O-N 3.42Å; S1258-L1260 PolarHBondContact O-N 3.09Å; L1260-Y1264 VanDerWaalsContact O-CD2 3.27Å; L1260-Y1264 WeakPolarHBondContact O-CD2 3.39Å
1261L66.9Low65.7Low2 Ų254.4 Ų54.41%0.0128%0.278CS..Hα-helixtrans-76.7-33.1-177.3-64.2161.5000112.6L1249 T1257 S1258 D1265 T1266 W1267 F1292 I1296L1249-L1261 HydrophobicContact CD2-CD1 4.28Å; T1257-L1261 WeakPolarHBondContact O-CB 3.49Å; T1257-L1261 VanDerWaalsContact O-CD1 3.26Å; T1257-L1261 WeakPolarHBondContact O-CD1 3.33Å; T1257-L1261 WeakPolarHBondContact O-CG 3.43Å; T1257-L1261 PolarHBondContact O-N 2.9Å; T1257-L1261 VanDerWaalsContact O-N 3.12Å; S1258-L1261 PolarHBondContact O-N 3.4Å; L1261-D1265 PolarHBondContact O-N 3.3Å; L1261-T1266 WeakPolarHBondContact CD2-OG1 3.32Å; L1261-T1266 PolarHBondContact O-N 2.92Å; L1261-T1266 PolarHBondContact O-OG1 3.09Å; L1261-T1266 VanDerWaalsContact O-OG1 3.12Å; L1261-W1267 HydrophobicContact CD1-CZ2 3.98Å; L1261-W1267 VanDerWaalsContact CD1-NE1 3.28Å; L1261-F1292 HydrophobicContact CD2-CZ 4.33Å; L1261-I1296 HydrophobicContact CD1-CD1 4.27Å; L1261-I1296 HydrophobicContact CD1-CG1 4.42Å
1262E68.4Low65.8Low114 Ų11453.8 Ų53.853%0.53328%0.283SS..Hα-helixtrans-64.6-42.8169.9-76.6-169.1171.300111.2S1258 Y1264 D1265S1258-E1262 WeakPolarHBondContact O-CG 3.44Å; S1258-E1262 PolarHBondContact O-N 3.49Å; E1262-Y1264 PolarHBondContact O-N 2.83Å; E1262-Y1264 VanDerWaalsContact O-N 3.13Å; E1262-D1265 PolarHBondContact O-N 3.46Å
1263R69.7Low66Low176 Ų17654.4 Ų54.466%0.66429%0.285SS*.Hα-helixtrans-57.1-30.8-178.9-172.5179-170.5-1727114.2D1204 D1259D1204-R1263 IonicContact OD1-NH1 3.06Å; D1259-R1263 VanDerWaalsContact O-CB 3.28Å; D1259-R1263 WeakPolarHBondContact O-CB 3.22Å; D1259-R1263 PolarHBondContact O-N 3.34Å
1264Y67.9Low66Low42 Ų4252.4 Ų52.417%0.16527%0.272CS..THydrogen-bonded Turntrans-1128.9-175.7-66.6-67.4000114.2D1204 C1207 M1208 S1211 L1260 E1262 T1266D1204-Y1264 WeakPolarHBondContact O-CE2 3.38Å; D1204-Y1264 VanDerWaalsContact OD1-CE2 3.28Å; D1204-Y1264 WeakPolarHBondContact OD1-CE2 3.36Å; D1204-Y1264 PolarHBondContact OD1-OH 3.15Å; C1207-Y1264 HydrophobicContact CB-CD2 3.74Å; C1207-Y1264 HydrophobicContact CB-CE2 4.37Å; C1207-Y1264 HydrophobicContact CB-CG 4.4Å; M1208-Y1264 HydrophobicContact CB-CD1 4.09Å; M1208-Y1264 HydrophobicContact CB-CE1 3.61Å; M1208-Y1264 HydrophobicContact CB-CE2 4.3Å; M1208-Y1264 HydrophobicContact CG-CD1 4.3Å; M1208-Y1264 HydrophobicContact CG-CE1 3.69Å; S1211-Y1264 WeakPolarHBondContact CB-O 3.47Å; L1260-Y1264 VanDerWaalsContact O-CD2 3.27Å; L1260-Y1264 WeakPolarHBondContact O-CD2 3.39Å; E1262-Y1264 PolarHBondContact O-N 2.83Å; E1262-Y1264 VanDerWaalsContact O-N 3.13Å; Y1264-T1266 PolarHBondContact O-N 3.44Å
1265D67.4Low66.2Low94 Ų9455.5 Ų55.550%0.50328%0.277SS..THydrogen-bonded Turntrans50.828.3-179.3-86-32.8000113.9L1261 E1262 W1267 T1268 H1269L1261-D1265 PolarHBondContact O-N 3.3Å; E1262-D1265 PolarHBondContact O-N 3.46Å; D1265-W1267 PolarHBondContact O-N 3.36Å; D1265-W1267 VanDerWaalsContact O-N 3.1Å; D1265-T1268 PolarHBondContact O-N 3.27Å; D1265-T1268 PolarHBondContact O-OG1 2.78Å; D1265-H1269 PolarHBondContact O-CD2 2.86Å; D1265-H1269 PolarHBondContact O-N 3.48Å
1266T66.5Low66.4Low1 Ų159.1 Ų59.11%0.00629%0.285CS..Hα-helixtrans-61.7-27.3-172.147.30000113.3C1207 Y1210 L1261 Y1264 T1270C1207-T1266 HydrophobicContact CB-CG2 4.06Å; Y1210-T1266 HydrophobicContact CD1-CG2 4.44Å; L1261-T1266 WeakPolarHBondContact CD2-OG1 3.32Å; L1261-T1266 PolarHBondContact O-N 2.92Å; L1261-T1266 PolarHBondContact O-OG1 3.09Å; L1261-T1266 VanDerWaalsContact O-OG1 3.12Å; Y1264-T1266 PolarHBondContact O-N 3.44Å; T1266-T1270 WeakPolarHBondContact O-CG2 3.5Å; T1266-T1270 PolarHBondContact O-N 3.2Å; T1266-T1270 PolarHBondContact O-OG1 2.95Å
1267W67.2Low66.3Low61 Ų6158.4 Ų58.423%0.23128%0.282CS..Hα-helixtrans-77.7-38.5-179.1-62.456.7000112.5L1261 D1265 T1270 L1271 F1293 I1296 T1304L1261-W1267 HydrophobicContact CD1-CZ2 3.98Å; L1261-W1267 VanDerWaalsContact CD1-NE1 3.28Å; D1265-W1267 PolarHBondContact O-N 3.36Å; D1265-W1267 VanDerWaalsContact O-N 3.1Å; W1267-T1270 VanDerWaalsContact CA-OG1 3.3Å; W1267-T1270 WeakPolarHBondContact CA-OG1 3.38Å; W1267-T1270 PolarHBondContact O-OG1 3.11Å; W1267-L1271 WeakPolarHBondContact O-CB 3.21Å; W1267-L1271 VanDerWaalsContact O-CG 3.27Å; W1267-L1271 WeakPolarHBondContact O-CG 3.46Å; W1267-L1271 PolarHBondContact O-N 2.86Å; W1267-F1293 HydrophobicContact CE3-CD1 4.18Å; W1267-F1293 HydrophobicContact CE3-CE1 4.01Å; W1267-I1296 HydrophobicContact CD2-CG2 3.98Å; W1267-I1296 HydrophobicContact CE3-CG2 3.67Å; W1267-I1296 HydrophobicContact CH2-CB 4.22Å; W1267-I1296 HydrophobicContact CH2-CG2 2.77Å; W1267-I1296 HydrophobicContact CZ2-CB 4.37Å; W1267-I1296 HydrophobicContact CZ2-CG2 3.01Å; W1267-I1296 HydrophobicContact CZ3-CB 4.5Å; W1267-I1296 HydrophobicContact CZ3-CG2 3.06Å; W1267-T1304 HydrophobicContact CZ3-CG2 4.39Å
1268T68Low66.1Low75 Ų7563 Ų6346%0.4631%0.306SS..Hα-helixtrans-71.4-39179.255.50000110.2D1265 L1271 S1272D1265-T1268 PolarHBondContact O-N 3.27Å; D1265-T1268 PolarHBondContact O-OG1 2.78Å; T1268-L1271 PolarHBondContact O-N 2.87Å; T1268-S1272 PolarHBondContact O-N 3.16Å; T1268-S1272 PolarHBondContact O-OG 3.42Å
1269H69.5Low65.8Low49 Ų4963.3 Ų63.323%0.22731%0.307CS..Hα-helixtrans-67.1-33.4175.8-66.9-48.2000113.6L1214 T1215 D1265 S1272 L1273L1214-H1269 HydrophobicContact CB-CB 3.92Å; L1214-H1269 HydrophobicContact CD1-CB 3.71Å; L1214-H1269 HydrophobicContact CG-CB 4.43Å; T1215-H1269 WeakPolarHBondContact CG2-CE1 3.45Å; T1215-H1269 VanDerWaalsContact CG2-NE2 3.33Å; T1215-H1269 WeakPolarHBondContact CG2-NE2 3.43Å; D1265-H1269 PolarHBondContact O-CD2 2.86Å; D1265-H1269 PolarHBondContact O-N 3.48Å; H1269-S1272 WeakPolarHBondContact CA-OG 3.48Å; H1269-S1272 PolarHBondContact O-OG 3.45Å; H1269-L1273 PolarHBondContact O-N 3.2Å
1270T67.1Low65.4Low2 Ų263.3 Ų63.31%0.01231%0.307CS..Hα-helixtrans-76-36.4174.239.40000112.9Y1210 L1214 T1266 W1267 L1273 L1274Y1210-T1270 HydrophobicContact CE1-CG2 3.43Å; Y1210-T1270 VanDerWaalsContact CE1-CG2 3.43Å; Y1210-T1270 WeakPolarHBondContact OH-CG2 3.23Å; L1214-T1270 HydrophobicContact CD1-CG2 4.01Å; T1266-T1270 WeakPolarHBondContact O-CG2 3.5Å; T1266-T1270 PolarHBondContact O-N 3.2Å; T1266-T1270 PolarHBondContact O-OG1 2.95Å; W1267-T1270 VanDerWaalsContact CA-OG1 3.3Å; W1267-T1270 WeakPolarHBondContact CA-OG1 3.38Å; W1267-T1270 PolarHBondContact O-OG1 3.11Å; T1270-L1273 WeakPolarHBondContact O-CB 3.21Å; T1270-L1273 PolarHBondContact O-N 3.03Å; T1270-L1274 PolarHBondContact O-N 3.4Å; T1270-L1274 VanDerWaalsContact O-N 3.13Å
1271L66.2Low65.1Low26 Ų2672.3 Ų72.314%0.13634%0.34CS..Hα-helixtrans-65.6-41.4172.5-74.4169.4000112W1267 T1268 L1273 L1274 Y1275 F1293 C1307 L1311W1267-L1271 WeakPolarHBondContact O-CB 3.21Å; W1267-L1271 VanDerWaalsContact O-CG 3.27Å; W1267-L1271 WeakPolarHBondContact O-CG 3.46Å; W1267-L1271 PolarHBondContact O-N 2.86Å; T1268-L1271 PolarHBondContact O-N 2.87Å; L1271-L1273 VanDerWaalsContact C-N 3.26Å; L1271-L1273 PolarHBondContact O-N 3.44Å; L1271-L1274 HydrophobicContact CD2-CD1 4.48Å; L1271-L1274 PolarHBondContact O-N 3.06Å; L1271-Y1275 VanDerWaalsContact O-CD2 3.26Å; L1271-Y1275 WeakPolarHBondContact O-CD2 3.14Å; L1271-Y1275 PolarHBondContact O-N 3.09Å; L1271-Y1275 VanDerWaalsContact O-N 3.13Å; L1271-F1293 HydrophobicContact CD2-CE2 4.03Å; L1271-F1293 HydrophobicContact CD2-CZ 3.78Å; L1271-F1293 HydrophobicContact CG-CZ 3.83Å; L1271-C1307 HydrophobicContact CD1-CB 4.08Å; L1271-L1311 HydrophobicContact CD2-CD1 3.49Å; L1271-L1311 VanDerWaalsContact CD2-CD1 3.49Å
1272S68Low64.9Low54 Ų5473.8 Ų73.838%0.37835%0.35SS..Hα-helixtrans-61.4-37.9175.156.20000111.7T1268 H1269 L1274 Y1275 E1276T1268-S1272 PolarHBondContact O-N 3.16Å; T1268-S1272 PolarHBondContact O-OG 3.42Å; H1269-S1272 WeakPolarHBondContact CA-OG 3.48Å; H1269-S1272 PolarHBondContact O-OG 3.45Å; S1272-L1274 PolarHBondContact O-N 3.45Å; S1272-Y1275 PolarHBondContact O-N 3.38Å; S1272-E1276 WeakPolarHBondContact O-CG 3.43Å; S1272-E1276 PolarHBondContact O-N 3.35Å; S1272-E1276 VanDerWaalsContact O-N 3.11Å
1273L67.2Low64.6Low23 Ų2371 Ų7112%0.1234%0.343CS..Hα-helixtrans-62.4-41.8175-166.283.6000112.1L1214 F1234 V1238 H1269 T1270 L1271 Y1275 E1276 L1277 L1285L1214-L1273 HydrophobicContact CD2-CD1 4.16Å; L1214-L1273 HydrophobicContact CD2-CD2 4.3Å; F1234-L1273 HydrophobicContact CE1-CD1 3.81Å; F1234-L1273 HydrophobicContact CZ-CD1 4.18Å; V1238-L1273 HydrophobicContact CG1-CD2 4.31Å; H1269-L1273 PolarHBondContact O-N 3.2Å; T1270-L1273 WeakPolarHBondContact O-CB 3.21Å; T1270-L1273 PolarHBondContact O-N 3.03Å; L1271-L1273 VanDerWaalsContact C-N 3.26Å; L1271-L1273 PolarHBondContact O-N 3.44Å; L1273-Y1275 VanDerWaalsContact C-N 3.35Å; L1273-Y1275 PolarHBondContact O-N 2.88Å; L1273-E1276 PolarHBondContact O-N 2.8Å; L1273-L1277 HydrophobicContact CD2-CD1 4.19Å; L1273-L1277 HydrophobicContact CG-CD1 3.87Å; L1273-L1277 WeakPolarHBondContact O-CD1 3.3Å; L1273-L1277 VanDerWaalsContact O-CG 3.24Å; L1273-L1277 WeakPolarHBondContact O-CG 3.47Å; L1273-L1277 PolarHBondContact O-N 3.24Å; L1273-L1285 HydrophobicContact CD2-CD2 4.3Å
1274L64.1Low64.3Low15 Ų1565.3 Ų65.38%0.07933%0.334CS..Hα-helixtrans-64.5-35.8177-83.1175.4000113.1T1270 L1271 S1272 V1289 F1293 L1311T1270-L1274 PolarHBondContact O-N 3.4Å; T1270-L1274 VanDerWaalsContact O-N 3.13Å; L1271-L1274 HydrophobicContact CD2-CD1 4.48Å; L1271-L1274 PolarHBondContact O-N 3.06Å; S1272-L1274 PolarHBondContact O-N 3.45Å; L1274-V1289 HydrophobicContact CD1-CB 4.44Å; L1274-V1289 HydrophobicContact CD1-CG1 3.45Å; L1274-V1289 VanDerWaalsContact CD1-CG1 3.45Å; L1274-V1289 HydrophobicContact CD2-CB 4.31Å; L1274-V1289 HydrophobicContact CD2-CG1 4.15Å; L1274-V1289 HydrophobicContact CD2-CG2 4.41Å; L1274-V1289 HydrophobicContact CG-CG1 3.95Å; L1274-F1293 HydrophobicContact CD1-CE2 3.96Å; L1274-L1311 HydrophobicContact CD1-CD1 4.41Å
1275Y65.3Low64.2Low128 Ų12863.6 Ų63.650%0.50233%0.328SS..Hα-helixtrans-74.4-28.6177.4-82.2-68.1000113.3L1271 S1272 L1273 L1277 K1310L1271-Y1275 VanDerWaalsContact O-CD2 3.26Å; L1271-Y1275 WeakPolarHBondContact O-CD2 3.14Å; L1271-Y1275 PolarHBondContact O-N 3.09Å; L1271-Y1275 VanDerWaalsContact O-N 3.13Å; S1272-Y1275 PolarHBondContact O-N 3.38Å; L1273-Y1275 VanDerWaalsContact C-N 3.35Å; L1273-Y1275 PolarHBondContact O-N 2.88Å; Y1275-L1277 VanDerWaalsContact C-N 3.35Å; Y1275-K1310 WeakPolarHBondContact OH-CB 3.46Å; Y1275-K1310 PolarHBondContact OH-O 3.3Å
1276E64.5Low64.1Low159 Ų15959.6 Ų59.674%0.74331%0.306SS*.Hα-helixtrans-80-17.5177.1-72.6-176.8176.600113.1S1272 L1273S1272-E1276 WeakPolarHBondContact O-CG 3.43Å; S1272-E1276 PolarHBondContact O-N 3.35Å; S1272-E1276 VanDerWaalsContact O-N 3.11Å; L1273-E1276 PolarHBondContact O-N 2.8Å
1277L61.8Low64.1Low44 Ų4461.6 Ų61.623%0.2332%0.319CS..SBendtrans-98.9128.9-177.4-69.2170.7000112.1L1273 Y1275 L1285L1273-L1277 HydrophobicContact CD2-CD1 4.19Å; L1273-L1277 HydrophobicContact CG-CD1 3.87Å; L1273-L1277 WeakPolarHBondContact O-CD1 3.3Å; L1273-L1277 VanDerWaalsContact O-CG 3.24Å; L1273-L1277 WeakPolarHBondContact O-CG 3.47Å; L1273-L1277 PolarHBondContact O-N 3.24Å; Y1275-L1277 VanDerWaalsContact C-N 3.35Å; L1277-L1285 HydrophobicContact CD1-CD2 3.17Å
1278N59Low64Low100 Ų10059.7 Ų59.754%0.53532%0.317SS..  trans-69.5126.1178.9-150.327.3000110.2D1280 R1281N1278-D1280 PolarHBondContact O-N 3.19Å; N1278-R1281 PolarHBondContact O-N 3.48Å
1279P56.8Low64Low36 Ų3656.3 Ų56.323%0.23430%0.296CS..G310 helixtrans-58.3-25.7-172.118.9-31.2000113.9R1281 I1286P1279-R1281 VanDerWaalsContact C-N 3.31Å; P1279-R1281 PolarHBondContact O-N 2.98Å; P1279-I1286 HydrophobicContact CB-CD1 4.44Å
1280D57.4Low63.8Low111 Ų11154.4 Ų54.459%0.59429%0.288SS*.G310 helixtrans-73.8-15.3-175.2-52.5-24.1000114.4N1278N1278-D1280 PolarHBondContact O-N 3.19Å
1281R57.3Low63.7Low206 Ų20655.2 Ų55.278%0.77730%0.297SS*.G310 helixtrans-109.7-9.9-167.9-67.4-170178.5-173.50.7115.9N1278 P1279N1278-R1281 PolarHBondContact O-N 3.48Å; P1279-R1281 VanDerWaalsContact C-N 3.31Å; P1279-R1281 PolarHBondContact O-N 2.98Å
1282C63.1Low63.8Low34 Ų3454 Ų5423%0.2329%0.291CS..  trans-144.463-170.5-79.20000113.8A1284 L1285 I1286C1282-A1284 VanDerWaalsContact C-N 3.31Å; C1282-A1284 PolarHBondContact O-N 2.88Å; C1282-L1285 HydrophobicContact CB-CB 4.04Å; C1282-L1285 PolarHBondContact O-N 3.23Å; C1282-I1286 WeakPolarHBondContact O-CG1 3.38Å; C1282-I1286 PolarHBondContact O-N 2.96Å; C1282-I1286 VanDerWaalsContact O-N 3.16Å
1283S61.6Low63.8Low55 Ų5551.9 Ų51.939%0.38528%0.275SS..Hα-helixtrans-56.7-40.6176.658.50000113.3L1285 I1286 C1287S1283-L1285 VanDerWaalsContact C-N 3.33Å; S1283-L1285 PolarHBondContact O-N 3.45Å; S1283-I1286 PolarHBondContact O-N 2.88Å; S1283-C1287 PolarHBondContact O-N 2.78Å; S1283-C1287 PolarHBondContact O-SG 3.02Å
1284A63.8Low63.6Low56 Ų5650.9 Ų50.946%0.46327%0.27SS..Hα-helixtrans-63.3-37.5179.700000113L1239 C1282 A1288L1239-A1284 HydrophobicContact CD1-CB 4.45Å; C1282-A1284 VanDerWaalsContact C-N 3.31Å; C1282-A1284 PolarHBondContact O-N 2.88Å; A1284-A1288 WeakPolarHBondContact O-CB 3.45Å; A1284-A1288 PolarHBondContact O-N 3.43Å
1285L67.3Low63.5Low7 Ų751.4 Ų51.44%0.03727%0.273CS..Hα-helixtrans-70.8-44.5177.2-17175.5000110.5V1238 L1239 L1242 L1273 L1277 C1282 S1283 C1287 A1288 V1289V1238-L1285 HydrophobicContact CB-CD1 4.41Å; V1238-L1285 HydrophobicContact CG1-CD1 3.65Å; L1239-L1285 HydrophobicContact CD2-CD1 4.47Å; L1242-L1285 HydrophobicContact CD1-CD1 4.09Å; L1273-L1285 HydrophobicContact CD2-CD2 4.3Å; L1277-L1285 HydrophobicContact CD1-CD2 3.17Å; C1282-L1285 HydrophobicContact CB-CB 4.04Å; C1282-L1285 PolarHBondContact O-N 3.23Å; S1283-L1285 VanDerWaalsContact C-N 3.33Å; S1283-L1285 PolarHBondContact O-N 3.45Å; L1285-C1287 VanDerWaalsContact C-N 3.3Å; L1285-C1287 PolarHBondContact O-N 3.47Å; L1285-A1288 PolarHBondContact O-N 3.35Å; L1285-V1289 HydrophobicContact CD1-CG2 4.41Å; L1285-V1289 HydrophobicContact CG-CG2 4.19Å; L1285-V1289 WeakPolarHBondContact O-CB 3.13Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.43Å; L1285-V1289 PolarHBondContact O-N 2.91Å
1286I65.4Low63.5Low10 Ų1045.6 Ų45.65%0.05125%0.251CS..Hα-helixtrans-58.6-43.9176.6-65167.5000110.2P1279 C1282 S1283 V1289 C1290P1279-I1286 HydrophobicContact CB-CD1 4.44Å; C1282-I1286 WeakPolarHBondContact O-CG1 3.38Å; C1282-I1286 PolarHBondContact O-N 2.96Å; C1282-I1286 VanDerWaalsContact O-N 3.16Å; S1283-I1286 PolarHBondContact O-N 2.88Å; I1286-V1289 PolarHBondContact O-N 3.48Å; I1286-C1290 WeakPolarHBondContact O-CB 3.44Å; I1286-C1290 PolarHBondContact O-N 3.26Å; I1286-C1290 PolarHBondContact O-SG 3.27Å
1287C65.8Low63.2Low42 Ų4238.8 Ų38.828%0.28422%0.219SC..Hα-helixtrans-63.6-44.8175.5-70.10000112.9S1283 L1285 V1289 C1290 G1291S1283-C1287 PolarHBondContact O-N 2.78Å; S1283-C1287 PolarHBondContact O-SG 3.02Å; L1285-C1287 VanDerWaalsContact C-N 3.3Å; L1285-C1287 PolarHBondContact O-N 3.47Å; C1287-V1289 VanDerWaalsContact C-N 3.3Å; C1287-V1289 PolarHBondContact O-N 3.34Å; C1287-C1290 PolarHBondContact O-N 2.87Å; C1287-G1291 PolarHBondContact O-N 3.25Å
1288A64.8Low62.9Low21 Ų2140.8 Ų40.817%0.17423%0.226CC..Hα-helixtrans-64-37.8178.500000111.7L1239 L1242 A1284 L1285 G1291 F1292L1239-A1288 HydrophobicContact CD2-CB 3.71Å; L1242-A1288 HydrophobicContact CB-CB 4.43Å; L1242-A1288 HydrophobicContact CD1-CB 3.93Å; A1284-A1288 WeakPolarHBondContact O-CB 3.45Å; A1284-A1288 PolarHBondContact O-N 3.43Å; L1285-A1288 PolarHBondContact O-N 3.35Å; A1288-G1291 PolarHBondContact O-N 2.88Å; A1288-F1292 WeakPolarHBondContact O-CB 3.36Å; A1288-F1292 PolarHBondContact O-N 3.28Å
1289V68.4Low62.6Low4 Ų440.4 Ų40.42%0.02422%0.224CC..Hα-helixtrans-75.4-38.8178.4178.30000111.6L1242 L1274 L1285 I1286 C1287 G1291 F1292 F1293L1242-V1289 HydrophobicContact CD1-CG2 3.85Å; L1274-V1289 HydrophobicContact CD1-CB 4.44Å; L1274-V1289 HydrophobicContact CD1-CG1 3.45Å; L1274-V1289 VanDerWaalsContact CD1-CG1 3.45Å; L1274-V1289 HydrophobicContact CD2-CB 4.31Å; L1274-V1289 HydrophobicContact CD2-CG1 4.15Å; L1274-V1289 HydrophobicContact CD2-CG2 4.41Å; L1274-V1289 HydrophobicContact CG-CG1 3.95Å; L1285-V1289 HydrophobicContact CD1-CG2 4.41Å; L1285-V1289 HydrophobicContact CG-CG2 4.19Å; L1285-V1289 WeakPolarHBondContact O-CB 3.13Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.43Å; L1285-V1289 PolarHBondContact O-N 2.91Å; I1286-V1289 PolarHBondContact O-N 3.48Å; C1287-V1289 VanDerWaalsContact C-N 3.3Å; C1287-V1289 PolarHBondContact O-N 3.34Å; V1289-G1291 VanDerWaalsContact C-N 3.3Å; V1289-G1291 PolarHBondContact O-N 2.8Å; V1289-F1292 PolarHBondContact O-N 3.28Å; V1289-F1293 HydrophobicContact CG1-CD2 3.41Å; V1289-F1293 VanDerWaalsContact CG1-CD2 3.41Å; V1289-F1293 HydrophobicContact CG1-CE2 3.18Å; V1289-F1293 HydrophobicContact CG1-CZ 4.27Å; V1289-F1293 VanDerWaalsContact O-CD2 3.22Å; V1289-F1293 WeakPolarHBondContact O-CD2 3.34Å; V1289-F1293 PolarHBondContact O-N 3.1Å
1290C64.9Low62.4Low9 Ų946.5 Ų46.56%0.06125%0.249CC..Hα-helixtrans-63.5-36.6171.1-68.40000111.8I1286 C1287 G1294 A1333I1286-C1290 WeakPolarHBondContact O-CB 3.44Å; I1286-C1290 PolarHBondContact O-N 3.26Å; I1286-C1290 PolarHBondContact O-SG 3.27Å; C1287-C1290 PolarHBondContact O-N 2.87Å; C1290-G1294 WeakPolarHBondContact O-CA 3.4Å; C1290-G1294 PolarHBondContact O-N 3.48Å; C1290-A1333 HydrophobicContact CB-CB 4.2Å
1291G65Low62.4Low20 Ų2043 Ų4321%0.20623%0.233CC..Hα-helixtrans-67.6-41.9172.800000112.6C1287 A1288 V1289 G1294 N1295C1287-G1291 PolarHBondContact O-N 3.25Å; A1288-G1291 PolarHBondContact O-N 2.88Å; V1289-G1291 VanDerWaalsContact C-N 3.3Å; V1289-G1291 PolarHBondContact O-N 2.8Å; G1291-G1294 PolarHBondContact O-N 2.87Å; G1291-N1295 WeakPolarHBondContact O-CB 3.45Å; G1291-N1295 PolarHBondContact O-N 3.42Å
1292F68Low62.3Low1 Ų135.9 Ų35.90%0.00422%0.224CC..Hα-helixtrans-60.4-54.8173.8-179.6-105.4000111.1L1242 L1245 N1246 L1249 L1261 A1288 V1289 G1294 N1295 I1296L1242-F1292 HydrophobicContact CD2-CB 4.08Å; L1242-F1292 HydrophobicContact CD2-CD1 4.3Å; L1242-F1292 HydrophobicContact CD2-CD2 3.97Å; L1242-F1292 HydrophobicContact CD2-CE2 4.46Å; L1242-F1292 HydrophobicContact CD2-CG 3.87Å; L1245-F1292 HydrophobicContact CB-CD2 4.43Å; L1245-F1292 HydrophobicContact CB-CE2 4.06Å; L1245-F1292 HydrophobicContact CD1-CE2 4.19Å; N1246-F1292 VanDerWaalsContact OD1-CA 3.23Å; N1246-F1292 WeakPolarHBondContact OD1-CA 3.46Å; L1249-F1292 HydrophobicContact CD1-CD2 3.85Å; L1249-F1292 HydrophobicContact CD1-CE2 3.74Å; L1261-F1292 HydrophobicContact CD2-CZ 4.33Å; A1288-F1292 WeakPolarHBondContact O-CB 3.36Å; A1288-F1292 PolarHBondContact O-N 3.28Å; V1289-F1292 PolarHBondContact O-N 3.28Å; F1292-G1294 VanDerWaalsContact C-N 3.34Å; F1292-G1294 PolarHBondContact O-N 3.4Å; F1292-N1295 CarbonylContact O-C 3.2Å; F1292-N1295 PolarHBondContact O-N 2.92Å; F1292-I1296 HydrophobicContact CD1-CD1 3.47Å; F1292-I1296 VanDerWaalsContact CD1-CD1 3.47Å; F1292-I1296 HydrophobicContact CD2-CD1 3.7Å; F1292-I1296 HydrophobicContact CE1-CD1 3.25Å; F1292-I1296 HydrophobicContact CE2-CD1 3.49Å; F1292-I1296 VanDerWaalsContact CE2-CD1 3.49Å; F1292-I1296 HydrophobicContact CG-CD1 3.69Å; F1292-I1296 HydrophobicContact CZ-CD1 3.27Å; F1292-I1296 VanDerWaalsContact O-CB 3.26Å; F1292-I1296 WeakPolarHBondContact O-CB 3.33Å; F1292-I1296 VanDerWaalsContact O-CD1 3.27Å; F1292-I1296 WeakPolarHBondContact O-CD1 3.49Å; F1292-I1296 WeakPolarHBondContact O-CG1 3.31Å; F1292-I1296 PolarHBondContact O-N 2.88Å
1293F68.3Low61.7Low8 Ų840 Ų404%0.03524%0.243CC..Hα-helixtrans-62.8-38176.8-72.9-56.4000112.9W1267 L1271 L1274 V1289 N1295 I1296 F1297 L1311 F1337W1267-F1293 HydrophobicContact CE3-CD1 4.18Å; W1267-F1293 HydrophobicContact CE3-CE1 4.01Å; L1271-F1293 HydrophobicContact CD2-CE2 4.03Å; L1271-F1293 HydrophobicContact CD2-CZ 3.78Å; L1271-F1293 HydrophobicContact CG-CZ 3.83Å; L1274-F1293 HydrophobicContact CD1-CE2 3.96Å; V1289-F1293 HydrophobicContact CG1-CD2 3.41Å; V1289-F1293 VanDerWaalsContact CG1-CD2 3.41Å; V1289-F1293 HydrophobicContact CG1-CE2 3.18Å; V1289-F1293 HydrophobicContact CG1-CZ 4.27Å; V1289-F1293 VanDerWaalsContact O-CD2 3.22Å; V1289-F1293 WeakPolarHBondContact O-CD2 3.34Å; V1289-F1293 PolarHBondContact O-N 3.1Å; F1293-N1295 VanDerWaalsContact C-N 3.26Å; F1293-N1295 PolarHBondContact O-N 3.46Å; F1293-I1296 WeakPolarHBondContact O-CB 3.41Å; F1293-I1296 PolarHBondContact O-N 3.44Å; F1293-F1297 HydrophobicContact CB-CE2 4.36Å; F1293-F1297 WeakPolarHBondContact O-CD2 3.26Å; F1293-F1297 WeakPolarHBondContact O-CE2 3.43Å; F1293-F1297 PolarHBondContact O-N 2.78Å; F1293-L1311 HydrophobicContact CD2-CD1 3.82Å; F1293-L1311 HydrophobicContact CE2-CD1 3.82Å; F1293-L1311 HydrophobicContact CG-CD1 4.47Å; F1293-L1311 HydrophobicContact CZ-CD1 4.49Å; F1293-F1337 HydrophobicContact CB-CE2 4.36Å
1294G62.6Low61.6Low3 Ų338.2 Ų38.23%0.03123%0.23CC..Hα-helixtrans-62.1-30.9175.800000113.8C1290 G1291 F1292 I1296 K1340C1290-G1294 WeakPolarHBondContact O-CA 3.4Å; C1290-G1294 PolarHBondContact O-N 3.48Å; G1291-G1294 PolarHBondContact O-N 2.87Å; F1292-G1294 VanDerWaalsContact C-N 3.34Å; F1292-G1294 PolarHBondContact O-N 3.4Å; G1294-I1296 VanDerWaalsContact C-N 3.28Å; G1294-K1340 VanDerWaalsContact O-CD 3.3Å; G1294-K1340 WeakPolarHBondContact O-CD 3.44Å; G1294-K1340 WeakPolarHBondContact O-CE 3.42Å
1295N63.2Low61.2Low25 Ų2542.5 Ų42.513%0.13424%0.238CC..THydrogen-bonded Turntrans-89.612.7174.3-79.5-7.9000113.1G1291 F1292 F1293 F1298 K1340G1291-N1295 WeakPolarHBondContact O-CB 3.45Å; G1291-N1295 PolarHBondContact O-N 3.42Å; F1292-N1295 CarbonylContact O-C 3.2Å; F1292-N1295 PolarHBondContact O-N 2.92Å; F1293-N1295 VanDerWaalsContact C-N 3.26Å; F1293-N1295 PolarHBondContact O-N 3.46Å; N1295-F1298 WeakPolarHBondContact O-CE2 3.2Å; N1295-K1340 PolarHBondContact OD1-NZ 3.06Å
1296I63.7Low60.8Low6 Ų647.5 Ų47.53%0.03126%0.263CS..THydrogen-bonded Turntrans-126.3-12.5-171.3-84.8179.6000111.7L1249 L1261 W1267 F1292 F1293 G1294 F1298L1249-I1296 HydrophobicContact CD1-CD1 3.93Å; L1249-I1296 HydrophobicContact CD1-CG1 3.81Å; L1261-I1296 HydrophobicContact CD1-CD1 4.27Å; L1261-I1296 HydrophobicContact CD1-CG1 4.42Å; W1267-I1296 HydrophobicContact CD2-CG2 3.98Å; W1267-I1296 HydrophobicContact CE3-CG2 3.67Å; W1267-I1296 HydrophobicContact CH2-CB 4.22Å; W1267-I1296 HydrophobicContact CH2-CG2 2.77Å; W1267-I1296 HydrophobicContact CZ2-CB 4.37Å; W1267-I1296 HydrophobicContact CZ2-CG2 3.01Å; W1267-I1296 HydrophobicContact CZ3-CB 4.5Å; W1267-I1296 HydrophobicContact CZ3-CG2 3.06Å; F1292-I1296 HydrophobicContact CD1-CD1 3.47Å; F1292-I1296 VanDerWaalsContact CD1-CD1 3.47Å; F1292-I1296 HydrophobicContact CD2-CD1 3.7Å; F1292-I1296 HydrophobicContact CE1-CD1 3.25Å; F1292-I1296 HydrophobicContact CE2-CD1 3.49Å; F1292-I1296 VanDerWaalsContact CE2-CD1 3.49Å; F1292-I1296 HydrophobicContact CG-CD1 3.69Å; F1292-I1296 HydrophobicContact CZ-CD1 3.27Å; F1292-I1296 VanDerWaalsContact O-CB 3.26Å; F1292-I1296 WeakPolarHBondContact O-CB 3.33Å; F1292-I1296 VanDerWaalsContact O-CD1 3.27Å; F1292-I1296 WeakPolarHBondContact O-CD1 3.49Å; F1292-I1296 WeakPolarHBondContact O-CG1 3.31Å; F1292-I1296 PolarHBondContact O-N 2.88Å; F1293-I1296 WeakPolarHBondContact O-CB 3.41Å; F1293-I1296 PolarHBondContact O-N 3.44Å; G1294-I1296 VanDerWaalsContact C-N 3.28Å; I1296-F1298 VanDerWaalsContact C-N 3.34Å; I1296-F1298 PolarHBondContact O-N 3.1Å
1297F60Low60.3Low16 Ų1649.3 Ų49.37%0.0728%0.276CS..  trans-67.687.1173.3-70.4-63000112.2F1293 L1308 F1337 T1344F1293-F1297 HydrophobicContact CB-CE2 4.36Å; F1293-F1297 WeakPolarHBondContact O-CD2 3.26Å; F1293-F1297 WeakPolarHBondContact O-CE2 3.43Å; F1293-F1297 PolarHBondContact O-N 2.78Å; F1297-L1308 HydrophobicContact CD1-CD1 4.32Å; F1297-L1308 HydrophobicContact CD1-CD2 4.19Å; F1297-L1308 HydrophobicContact CE1-CD1 3.88Å; F1297-L1308 HydrophobicContact CE1-CD2 3.17Å; F1297-L1308 HydrophobicContact CE1-CG 3.65Å; F1297-L1308 HydrophobicContact CZ-CD2 3.38Å; F1297-L1308 HydrophobicContact CZ-CG 4.27Å; F1297-F1337 HydrophobicContact CD2-CE2 4.47Å; F1297-F1337 AromaticContact CE2-CD2 3.6Å; F1297-F1337 HydrophobicContact CE2-CD2 3.6Å; F1297-F1337 AromaticContact CE2-CE2 3.16Å; F1297-F1337 HydrophobicContact CE2-CE2 3.16Å; F1297-F1337 AromaticContact CE2-CZ 3.78Å; F1297-F1337 HydrophobicContact CE2-CZ 3.78Å; F1297-F1337 HydrophobicContact CZ-CD2 4.17Å; F1297-F1337 AromaticContact CZ-CE2 3.25Å; F1297-F1337 HydrophobicContact CZ-CE2 3.25Å; F1297-F1337 AromaticContact CZ-CZ 3.53Å; F1297-F1337 HydrophobicContact CZ-CZ 3.53Å; F1297-T1344 WeakPolarHBondContact O-CG2 3.15Å
1298F54.8Low60.1Low87 Ų8748.1 Ų48.138%0.38227%0.267SS..  trans-137.1-0.1-171.1-75.2-47.6000115.5V1254 N1295 I1296V1254-F1298 HydrophobicContact CB-CG 4.48Å; V1254-F1298 HydrophobicContact CG1-CB 3.34Å; V1254-F1298 HydrophobicContact CG1-CD1 4Å; V1254-F1298 HydrophobicContact CG1-CD2 4.01Å; V1254-F1298 HydrophobicContact CG1-CG 3.54Å; V1254-F1298 HydrophobicContact CG2-CD1 4Å; V1254-F1298 HydrophobicContact CG2-CD2 4.23Å; V1254-F1298 HydrophobicContact CG2-CE1 4.08Å; V1254-F1298 HydrophobicContact CG2-CE2 4.21Å; V1254-F1298 HydrophobicContact CG2-CG 4.11Å; V1254-F1298 HydrophobicContact CG2-CZ 4.2Å; N1295-F1298 WeakPolarHBondContact O-CE2 3.2Å; I1296-F1298 VanDerWaalsContact C-N 3.34Å; I1296-F1298 PolarHBondContact O-N 3.1Å
1299D53.1Low60.1Low92 Ų9248.5 Ų48.549%0.49227%0.273SS..  trans-148.5147.5-177.3-153.1-1.5000114.4S1301 T1304D1299-S1301 PolarHBondContact O-N 3.46Å; D1299-S1301 VanDerWaalsContact O-N 3.15Å; D1299-T1304 PolarHBondContact O-OG1 3.34Å
1300E52.9Low59.9Low164 Ų16454.1 Ų54.177%0.76630%0.297SS*.  trans-74.69.3-178.4-67-162.4140.700113.5G1302E1300-G1302 PolarHBondContact O-N 2.93Å
1301S56.9Low59.9Low36 Ų3654.3 Ų54.325%0.25230%0.298SS..  trans-61.7135-172.771.10000112D1299 L1303 T1304D1299-S1301 PolarHBondContact O-N 3.46Å; D1299-S1301 VanDerWaalsContact O-N 3.15Å; S1301-L1303 PolarHBondContact O-N 2.87Å; S1301-T1304 PolarHBondContact O-N 3.37Å; S1301-T1304 PolarHBondContact O-OG1 3.27Å
1302G55Low59.9Low57 Ų5753.7 Ų53.759%0.58829%0.291SS*.Hα-helixtrans-58.7-14.7-173.600000115.6E1300E1300-G1302 PolarHBondContact O-N 2.93Å
1303L51.2Low59.9Low120 Ų12058.6 Ų58.663%0.62832%0.317SS*.Hα-helixtrans-77.6-33.8176.4-77.9161.7000113.1S1301 K1305 I1306 C1307S1301-L1303 PolarHBondContact O-N 2.87Å; L1303-K1305 PolarHBondContact O-N 3.37Å; L1303-I1306 PolarHBondContact O-N 2.89Å; L1303-C1307 PolarHBondContact O-N 3.08Å
1304T57.9Low59.9Low18 Ų1860.2 Ų60.211%0.1132%0.323CS..Hα-helixtrans-59.7-38.1174.349.30000110.1W1267 D1299 S1301 I1306 C1307 L1308W1267-T1304 HydrophobicContact CZ3-CG2 4.39Å; D1299-T1304 PolarHBondContact O-OG1 3.34Å; S1301-T1304 PolarHBondContact O-N 3.37Å; S1301-T1304 PolarHBondContact O-OG1 3.27Å; T1304-I1306 PolarHBondContact O-N 2.89Å; T1304-C1307 PolarHBondContact O-N 3.4Å; T1304-L1308 WeakPolarHBondContact O-CB 3.44Å; T1304-L1308 VanDerWaalsContact O-CD1 3.31Å; T1304-L1308 WeakPolarHBondContact O-CD1 3.5Å; T1304-L1308 WeakPolarHBondContact O-CG 3.49Å; T1304-L1308 PolarHBondContact O-N 3.14Å
1305K56.4Low60.1Low146 Ų14660.4 Ų60.464%0.63532%0.323SS*.Hα-helixtrans-63.1-40.3-178.8-150.4177.7-173-177.80114.7L1303L1303-K1305 PolarHBondContact O-N 3.37Å
1306I57.9Low60.1Low112 Ų11261 Ų6157%0.57433%0.328SS*.Hα-helixtrans-75.5-36.5-177.7-62.3173.3000111L1303 T1304L1303-I1306 PolarHBondContact O-N 2.89Å; T1304-I1306 PolarHBondContact O-N 2.89Å
1307C56.7Low60.2Low48 Ų4867.4 Ų67.432%0.32436%0.361SS..Hα-helixtrans-82.3-30.1-179.5-64.80000112.3L1271 L1303 T1304 K1310 L1311L1271-C1307 HydrophobicContact CD1-CB 4.08Å; L1303-C1307 PolarHBondContact O-N 3.08Å; T1304-C1307 PolarHBondContact O-N 3.4Å; C1307-K1310 PolarHBondContact O-N 3.4Å; C1307-L1311 WeakPolarHBondContact O-CB 3.23Å; C1307-L1311 PolarHBondContact O-N 3.17Å
1308L61.4Low60.2Low18 Ų1867.1 Ų67.19%0.09436%0.362CS..Hα-helixtrans-60-46.2174.2-91.2165000112.9F1297 T1304 K1310 L1311 A1312 F1337 L1345 F1349F1297-L1308 HydrophobicContact CD1-CD1 4.32Å; F1297-L1308 HydrophobicContact CD1-CD2 4.19Å; F1297-L1308 HydrophobicContact CE1-CD1 3.88Å; F1297-L1308 HydrophobicContact CE1-CD2 3.17Å; F1297-L1308 HydrophobicContact CE1-CG 3.65Å; F1297-L1308 HydrophobicContact CZ-CD2 3.38Å; F1297-L1308 HydrophobicContact CZ-CG 4.27Å; T1304-L1308 WeakPolarHBondContact O-CB 3.44Å; T1304-L1308 VanDerWaalsContact O-CD1 3.31Å; T1304-L1308 WeakPolarHBondContact O-CD1 3.5Å; T1304-L1308 WeakPolarHBondContact O-CG 3.49Å; T1304-L1308 PolarHBondContact O-N 3.14Å; L1308-K1310 VanDerWaalsContact C-N 3.33Å; L1308-K1310 PolarHBondContact O-N 3.01Å; L1308-L1311 PolarHBondContact O-N 3.29Å; L1308-A1312 VanDerWaalsContact O-CB 3.3Å; L1308-A1312 WeakPolarHBondContact O-CB 3.29Å; L1308-A1312 PolarHBondContact O-N 3.5Å; L1308-F1337 HydrophobicContact CD2-CZ 3.85Å; L1308-L1345 HydrophobicContact CD1-CD1 3.6Å; L1308-L1345 HydrophobicContact CD1-CD2 4.5Å; L1308-F1349 HydrophobicContact CD2-CE2 4.25Å
1309G63.9Low60.5Low28 Ų2863 Ų6329%0.28934%0.344SS..Hα-helixtrans-59.8-44.5176.800000111.8L1311 A1312 D1313G1309-L1311 PolarHBondContact O-N 3.38Å; G1309-A1312 PolarHBondContact O-N 3.14Å; G1309-D1313 VanDerWaalsContact O-CG 3.23Å; G1309-D1313 PolarHBondContact O-N 3.44Å
1310K64.6Low60.8Low122 Ų12266.2 Ų66.253%0.5335%0.351SS..Hα-helixtrans-65.2-34.5178.3-76.5-172.1-180-1780114Y1275 C1307 L1308 Y1314Y1275-K1310 WeakPolarHBondContact OH-CB 3.46Å; Y1275-K1310 PolarHBondContact OH-O 3.3Å; C1307-K1310 PolarHBondContact O-N 3.4Å; L1308-K1310 VanDerWaalsContact C-N 3.33Å; L1308-K1310 PolarHBondContact O-N 3.01Å; K1310-Y1314 PolarHBondContact O-N 2.94Å
1311L65.3Low61.1Low14 Ų1463.6 Ų63.67%0.07334%0.338CS..Hα-helixtrans-80.6-34.3178.8-160.2137.3000111.6L1271 L1274 F1293 C1307 L1308 G1309 Y1314 L1315 F1337L1271-L1311 HydrophobicContact CD2-CD1 3.49Å; L1271-L1311 VanDerWaalsContact CD2-CD1 3.49Å; L1274-L1311 HydrophobicContact CD1-CD1 4.41Å; F1293-L1311 HydrophobicContact CD2-CD1 3.82Å; F1293-L1311 HydrophobicContact CE2-CD1 3.82Å; F1293-L1311 HydrophobicContact CG-CD1 4.47Å; F1293-L1311 HydrophobicContact CZ-CD1 4.49Å; C1307-L1311 WeakPolarHBondContact O-CB 3.23Å; C1307-L1311 PolarHBondContact O-N 3.17Å; L1308-L1311 PolarHBondContact O-N 3.29Å; G1309-L1311 PolarHBondContact O-N 3.38Å; L1311-Y1314 PolarHBondContact O-N 3.39Å; L1311-L1315 HydrophobicContact CD2-CD1 3.54Å; L1311-L1315 HydrophobicContact CD2-CG 4.05Å; L1311-L1315 WeakPolarHBondContact O-CB 3.47Å; L1311-L1315 WeakPolarHBondContact O-CG 3.35Å; L1311-L1315 PolarHBondContact O-N 2.95Å; L1311-F1337 HydrophobicContact CD2-CD2 4.41Å; L1311-F1337 HydrophobicContact CD2-CE1 4.38Å; L1311-F1337 HydrophobicContact CD2-CE2 3.57Å; L1311-F1337 HydrophobicContact CD2-CZ 3.58Å
1312A64Low60.9Low7 Ų767.4 Ų67.46%0.05836%0.36CS..Hα-helixtrans-63.7-40.4170.900000111.8L1308 G1309 L1315 T1316L1308-A1312 VanDerWaalsContact O-CB 3.3Å; L1308-A1312 WeakPolarHBondContact O-CB 3.29Å; L1308-A1312 PolarHBondContact O-N 3.5Å; G1309-A1312 PolarHBondContact O-N 3.14Å; A1312-L1315 PolarHBondContact O-N 3.17Å; A1312-T1316 WeakPolarHBondContact O-CB 3.5Å; A1312-T1316 WeakPolarHBondContact O-CG2 3.3Å; A1312-T1316 PolarHBondContact O-N 3.42Å; A1312-T1316 PolarHBondContact O-OG1 3.04Å
1313D67.5Low60.9Low103 Ų10372.1 Ų72.155%0.55137%0.371SS*.Hα-helixtrans-63.3-41.5172.7-69.6-18.3000111.6G1309 T1316 L1317G1309-D1313 VanDerWaalsContact O-CG 3.23Å; G1309-D1313 PolarHBondContact O-N 3.44Å; D1313-T1316 WeakPolarHBondContact CA-OG1 3.42Å; D1313-T1316 PolarHBondContact O-OG1 2.87Å; D1313-L1317 WeakPolarHBondContact O-CB 3.49Å; D1313-L1317 WeakPolarHBondContact O-CD1 3.47Å; D1313-L1317 PolarHBondContact O-N 3.44Å
1314Y68.9Low61.3Low42 Ų4271.8 Ų71.817%0.16537%0.367CS..Hα-helixtrans-66.3-42.4176.6-175.7-91.1000112.2K1310 L1311 L1317 A1318K1310-Y1314 PolarHBondContact O-N 2.94Å; L1311-Y1314 PolarHBondContact O-N 3.39Å; Y1314-L1317 PolarHBondContact O-N 3.38Å; Y1314-A1318 HydrophobicContact CE1-CB 4.5Å; Y1314-A1318 VanDerWaalsContact O-CB 3.27Å; Y1314-A1318 WeakPolarHBondContact O-CB 3.46Å; Y1314-A1318 PolarHBondContact O-N 2.73Å
1315L66.2Low61.4Low8 Ų879.6 Ų79.64%0.04240%0.402CS..Hα-helixtrans-72.6-35-179.4-71.5177.6000113.3L1311 A1312 L1317 A1318 T1319 F1337L1311-L1315 HydrophobicContact CD2-CD1 3.54Å; L1311-L1315 HydrophobicContact CD2-CG 4.05Å; L1311-L1315 WeakPolarHBondContact O-CB 3.47Å; L1311-L1315 WeakPolarHBondContact O-CG 3.35Å; L1311-L1315 PolarHBondContact O-N 2.95Å; A1312-L1315 PolarHBondContact O-N 3.17Å; L1315-L1317 VanDerWaalsContact C-N 3.33Å; L1315-A1318 PolarHBondContact O-N 3.49Å; L1315-T1319 WeakPolarHBondContact O-CG2 3.29Å; L1315-T1319 PolarHBondContact O-N 2.8Å; L1315-T1319 PolarHBondContact O-OG1 3.4Å; L1315-F1337 HydrophobicContact CD1-CD1 4.01Å; L1315-F1337 HydrophobicContact CD1-CE1 4.17Å; L1315-F1337 HydrophobicContact CD1-CG 4.21Å; L1315-F1337 HydrophobicContact CD1-CZ 4.46Å
1316T64.9Low61.6Low38 Ų3874 Ų7423%0.23338%0.382CS..Hα-helixtrans-65.7-35.9172.646.10000111.5A1312 D1313 T1319 F1356A1312-T1316 WeakPolarHBondContact O-CB 3.5Å; A1312-T1316 WeakPolarHBondContact O-CG2 3.3Å; A1312-T1316 PolarHBondContact O-N 3.42Å; A1312-T1316 PolarHBondContact O-OG1 3.04Å; D1313-T1316 WeakPolarHBondContact CA-OG1 3.42Å; D1313-T1316 PolarHBondContact O-OG1 2.87Å; T1316-T1319 PolarHBondContact O-OG1 3.19Å; T1316-F1356 HydrophobicContact CG2-CD2 4.23Å
1317L64.9Low62Low139 Ų13969.3 Ų69.373%0.72836%0.358SS*.Hα-helixtrans-71.6-40.7172.5-82.2159.1000113.1D1313 Y1314 L1315 T1319D1313-L1317 WeakPolarHBondContact O-CB 3.49Å; D1313-L1317 WeakPolarHBondContact O-CD1 3.47Å; D1313-L1317 PolarHBondContact O-N 3.44Å; Y1314-L1317 PolarHBondContact O-N 3.38Å; L1315-L1317 VanDerWaalsContact C-N 3.33Å; L1317-T1319 VanDerWaalsContact C-N 3.27Å; L1317-T1319 PolarHBondContact O-N 3.17Å
1318A59.6Low62.4Low11 Ų1169.4 Ų69.49%0.09136%0.355CS..Hα-helixtrans-73.9-11.3-17400000114.8Y1314 L1315 R1330Y1314-A1318 HydrophobicContact CE1-CB 4.5Å; Y1314-A1318 VanDerWaalsContact O-CB 3.27Å; Y1314-A1318 WeakPolarHBondContact O-CB 3.46Å; Y1314-A1318 PolarHBondContact O-N 2.73Å; L1315-A1318 PolarHBondContact O-N 3.49Å; A1318-R1330 PolarHBondContact O-NH1 3.24Å
1319T61.2Low62.6Low1 Ų171.4 Ų71.41%0.00637%0.368CS..THydrogen-bonded Turntrans-104.12.6-176.448.30000113.9L1315 T1316 L1317 E1321 R1330 A1334 H1360L1315-T1319 WeakPolarHBondContact O-CG2 3.29Å; L1315-T1319 PolarHBondContact O-N 2.8Å; L1315-T1319 PolarHBondContact O-OG1 3.4Å; T1316-T1319 PolarHBondContact O-OG1 3.19Å; L1317-T1319 VanDerWaalsContact C-N 3.27Å; L1317-T1319 PolarHBondContact O-N 3.17Å; T1319-E1321 VanDerWaalsContact C-N 3.34Å; T1319-E1321 PolarHBondContact O-N 2.81Å; T1319-R1330 HydrophobicContact CG2-CB 4.25Å; T1319-A1334 HydrophobicContact CG2-CB 4.35Å; T1319-H1360 PolarHBondContact OG1-CE1 2.89Å; T1319-H1360 PolarHBondContact OG1-NE2 3.17Å
1320Y59.4Low62.8Low159 Ų15971 Ų7162%0.62436%0.358SS*.  trans-82.59.9-167.4-131.8-87.8000116.3
1321E58.4Low63.2Low109 Ų10965.4 Ų65.451%0.50933%0.334SS..  trans-105.6125.6176.9-73.8-173.8154.900112.1T1319 S1327T1319-E1321 VanDerWaalsContact C-N 3.34Å; T1319-E1321 PolarHBondContact O-N 2.81Å; E1321-S1327 WeakPolarHBondContact O-CB 3.45Å; E1321-S1327 PolarHBondContact O-OG 2.83Å
1322V54.1Low63.4Low116 Ų11666.5 Ų66.570%0.70334%0.339SS*.SBendtrans-82.5-12.4-164.1178.10000113.8
1323D55.3Low63.6Low155 Ų15566.8 Ų66.883%0.82934%0.341SS*.SBendtrans-123.911.1-158.4-72.3-32.1000117.7
1324E59.3Low63.8Low114 Ų11461.9 Ų61.953%0.53331%0.314SS..  trans-123.7141.9179-69.6-162162.800114.8S1326 S1327E1324-S1326 VanDerWaalsContact CB-OG 3.32Å; E1324-S1326 WeakPolarHBondContact CB-OG 3.29Å; E1324-S1326 PolarHBondContact O-N 3.34Å; E1324-S1326 VanDerWaalsContact O-N 3.09Å; E1324-S1326 PolarHBondContact OE2-OG 3.18Å; E1324-S1327 WeakPolarHBondContact O-CA 3.21Å; E1324-S1327 VanDerWaalsContact O-CB 3.26Å; E1324-S1327 WeakPolarHBondContact O-CB 3.41Å; E1324-S1327 PolarHBondContact O-N 3.09Å; E1324-S1327 PolarHBondContact O-OG 3.28Å
1325E60.1Low64Low181 Ų18159.9 Ų59.985%0.84631%0.307SS*.Hα-helixtrans-54.1-29170.1-73-176.1160.500112.5S1327 L1328 T1329E1325-S1327 VanDerWaalsContact C-N 3.26Å; E1325-S1327 PolarHBondContact O-N 3.21Å; E1325-L1328 PolarHBondContact O-N 2.72Å; E1325-T1329 PolarHBondContact O-N 3.05Å
1326S61.1Low64.2Low30 Ų3062.5 Ų62.521%0.2132%0.32CS..Hα-helixtrans-63.3-30.8173.575.80000112.2E1324 T1329 R1330E1324-S1326 VanDerWaalsContact CB-OG 3.32Å; E1324-S1326 WeakPolarHBondContact CB-OG 3.29Å; E1324-S1326 PolarHBondContact O-N 3.34Å; E1324-S1326 VanDerWaalsContact O-N 3.09Å; E1324-S1326 PolarHBondContact OE2-OG 3.18Å; S1326-T1329 PolarHBondContact O-OG1 3.27Å; S1326-T1329 VanDerWaalsContact O-OG1 3.05Å; S1326-R1330 VanDerWaalsContact O-CG 3.24Å; S1326-R1330 WeakPolarHBondContact O-CG 3.46Å; S1326-R1330 PolarHBondContact O-N 3.34Å; S1326-R1330 PolarHBondContact O-NE 2.9Å; S1326-R1330 PolarHBondContact OG-NH2 3.05Å
1327S64.3Low64.5Low13 Ų1360.7 Ų60.79%0.09131%0.309CS..Hα-helixtrans-73.3-35.8176.575.70000111.8E1321 E1324 E1325 R1330 F1331E1321-S1327 WeakPolarHBondContact O-CB 3.45Å; E1321-S1327 PolarHBondContact O-OG 2.83Å; E1324-S1327 WeakPolarHBondContact O-CA 3.21Å; E1324-S1327 VanDerWaalsContact O-CB 3.26Å; E1324-S1327 WeakPolarHBondContact O-CB 3.41Å; E1324-S1327 PolarHBondContact O-N 3.09Å; E1324-S1327 PolarHBondContact O-OG 3.28Å; E1325-S1327 VanDerWaalsContact C-N 3.26Å; E1325-S1327 PolarHBondContact O-N 3.21Å; S1327-R1330 WeakPolarHBondContact O-CB 3.36Å; S1327-R1330 PolarHBondContact O-N 2.85Å; S1327-F1331 WeakPolarHBondContact O-CB 3.5Å; S1327-F1331 PolarHBondContact O-N 3.12Å
1328L66.2Low65Low49 Ų4954.1 Ų54.126%0.25728%0.275SS..Hα-helixtrans-69.1-41.9179.2-169.975.7000111.2E1325 R1330 F1331 E1332E1325-L1328 PolarHBondContact O-N 2.72Å; L1328-R1330 VanDerWaalsContact C-N 3.33Å; L1328-F1331 PolarHBondContact O-N 3.24Å; L1328-E1332 WeakPolarHBondContact O-CB 3.34Å; L1328-E1332 WeakPolarHBondContact O-CG 3.46Å; L1328-E1332 PolarHBondContact O-N 3.04Å
1329T65.4Low65.5Low60 Ų6054.5 Ų54.537%0.36828%0.277SS..Hα-helixtrans-65.8-37175.553.70000112E1325 S1326 A1333E1325-T1329 PolarHBondContact O-N 3.05Å; S1326-T1329 PolarHBondContact O-OG1 3.27Å; S1326-T1329 VanDerWaalsContact O-OG1 3.05Å; T1329-A1333 WeakPolarHBondContact O-CB 2.95Å; T1329-A1333 PolarHBondContact O-N 3.22Å
1330R68.8Low65.8Low20 Ų2057.9 Ų57.98%0.07529%0.291CS..Hα-helixtrans-61.7-46.2170-75.4179.8-87.5173-12.7111.4A1318 T1319 S1326 S1327 L1328 A1333 A1334A1318-R1330 PolarHBondContact O-NH1 3.24Å; T1319-R1330 HydrophobicContact CG2-CB 4.25Å; S1326-R1330 VanDerWaalsContact O-CG 3.24Å; S1326-R1330 WeakPolarHBondContact O-CG 3.46Å; S1326-R1330 PolarHBondContact O-N 3.34Å; S1326-R1330 PolarHBondContact O-NE 2.9Å; S1326-R1330 PolarHBondContact OG-NH2 3.05Å; S1327-R1330 WeakPolarHBondContact O-CB 3.36Å; S1327-R1330 PolarHBondContact O-N 2.85Å; L1328-R1330 VanDerWaalsContact C-N 3.33Å; R1330-A1333 PolarHBondContact O-N 3.32Å; R1330-A1334 WeakPolarHBondContact O-CB 3.45Å; R1330-A1334 PolarHBondContact O-N 3.14Å
1331F72.7Confident66.2Low4 Ų450.3 Ų50.32%0.01826%0.262CS..Hα-helixtrans-64.1-44177.1-177.8-100.4000112S1327 L1328 A1333 A1334 V1335 F1356 H1360 Q1363 F1364 V1367S1327-F1331 WeakPolarHBondContact O-CB 3.5Å; S1327-F1331 PolarHBondContact O-N 3.12Å; L1328-F1331 PolarHBondContact O-N 3.24Å; F1331-A1333 VanDerWaalsContact C-N 3.34Å; F1331-A1333 PolarHBondContact O-N 2.88Å; F1331-A1334 PolarHBondContact O-N 3.05Å; F1331-V1335 HydrophobicContact CD1-CG2 3.97Å; F1331-V1335 HydrophobicContact CD2-CG2 4.46Å; F1331-V1335 HydrophobicContact CE1-CG2 3.59Å; F1331-V1335 HydrophobicContact CE2-CG2 4.12Å; F1331-V1335 HydrophobicContact CG-CG2 4.39Å; F1331-V1335 HydrophobicContact CZ-CG2 3.68Å; F1331-V1335 VanDerWaalsContact O-CG2 3.29Å; F1331-V1335 WeakPolarHBondContact O-CG2 3.43Å; F1331-V1335 PolarHBondContact O-N 3.28Å; F1331-F1356 AromaticContact CD2-CZ 3.99Å; F1331-F1356 HydrophobicContact CD2-CZ 3.99Å; F1331-F1356 HydrophobicContact CE2-CE1 4.18Å; F1331-F1356 AromaticContact CE2-CZ 3.66Å; F1331-F1356 HydrophobicContact CE2-CZ 3.66Å; F1331-H1360 HydrophobicContact CE2-CB 4.01Å; F1331-Q1363 HydrophobicContact CE2-CB 4.23Å; F1331-Q1363 HydrophobicContact CZ-CB 4.24Å; F1331-F1364 HydrophobicContact CE2-CE2 4.31Å; F1331-F1364 HydrophobicContact CZ-CD2 4.28Å; F1331-F1364 HydrophobicContact CZ-CE1 4.35Å; F1331-F1364 HydrophobicContact CZ-CE2 4.02Å; F1331-F1364 HydrophobicContact CZ-CZ 4.07Å; F1331-V1367 HydrophobicContact CE1-CG2 4.38Å
1332E70Confident66.6Low38 Ų3845.3 Ų45.318%0.17824%0.239CC..Hα-helixtrans-63.5-37.2176.8-76.9-173.8169.200112.8L1328 L1336 A1377 R1380L1328-E1332 WeakPolarHBondContact O-CB 3.34Å; L1328-E1332 WeakPolarHBondContact O-CG 3.46Å; L1328-E1332 PolarHBondContact O-N 3.04Å; E1332-L1336 WeakPolarHBondContact O-CB 3.25Å; E1332-L1336 PolarHBondContact O-N 3.29Å; E1332-L1336 VanDerWaalsContact O-N 3.09Å; E1332-A1377 HydrophobicContact CG-CB 3.95Å; E1332-A1377 WeakPolarHBondContact OE1-CB 3.28Å; E1332-A1377 PolarHBondContact OE1-N 2.87Å; E1332-R1380 PolarHBondContact O-NH1 3.15Å
1333A66.5Low67.2Low12 Ų1243.9 Ų43.910%0.09923%0.234CC..Hα-helixtrans-70.1-39.7174.400000111.2C1290 T1329 R1330 F1331 L1336 F1337C1290-A1333 HydrophobicContact CB-CB 4.2Å; T1329-A1333 WeakPolarHBondContact O-CB 2.95Å; T1329-A1333 PolarHBondContact O-N 3.22Å; R1330-A1333 PolarHBondContact O-N 3.32Å; F1331-A1333 VanDerWaalsContact C-N 3.34Å; F1331-A1333 PolarHBondContact O-N 2.88Å; A1333-L1336 WeakPolarHBondContact O-CB 3.2Å; A1333-L1336 PolarHBondContact O-N 2.9Å; A1333-F1337 WeakPolarHBondContact O-CB 3.09Å; A1333-F1337 PolarHBondContact O-N 3.18Å
1334A71.7Confident67.7Low0 Ų039.5 Ų39.50%021%0.213CC..Hα-helixtrans-64.8-45174.300000111.9T1319 R1330 F1331 L1336 F1337 F1338 F1356T1319-A1334 HydrophobicContact CG2-CB 4.35Å; R1330-A1334 WeakPolarHBondContact O-CB 3.45Å; R1330-A1334 PolarHBondContact O-N 3.14Å; F1331-A1334 PolarHBondContact O-N 3.05Å; A1334-L1336 VanDerWaalsContact C-N 3.31Å; A1334-L1336 PolarHBondContact O-N 3.08Å; A1334-F1337 WeakPolarHBondContact O-CB 3.22Å; A1334-F1337 PolarHBondContact O-N 3.11Å; A1334-F1337 VanDerWaalsContact O-N 3.17Å; A1334-F1338 WeakPolarHBondContact O-CD2 3.46Å; A1334-F1338 PolarHBondContact O-N 3.01Å; A1334-F1356 HydrophobicContact CB-CE2 4.38Å; A1334-F1356 HydrophobicContact CB-CZ 4.25Å
1335V74Confident67.9Low1 Ų136.4 Ų36.41%0.00620%0.2CC..Hα-helixtrans-61.8-39.4175.4173.80000110.8F1331 F1338 S1339 F1356 R1380 V1381 L1384F1331-V1335 HydrophobicContact CD1-CG2 3.97Å; F1331-V1335 HydrophobicContact CD2-CG2 4.46Å; F1331-V1335 HydrophobicContact CE1-CG2 3.59Å; F1331-V1335 HydrophobicContact CE2-CG2 4.12Å; F1331-V1335 HydrophobicContact CG-CG2 4.39Å; F1331-V1335 HydrophobicContact CZ-CG2 3.68Å; F1331-V1335 VanDerWaalsContact O-CG2 3.29Å; F1331-V1335 WeakPolarHBondContact O-CG2 3.43Å; F1331-V1335 PolarHBondContact O-N 3.28Å; V1335-F1338 PolarHBondContact O-N 2.82Å; V1335-S1339 VanDerWaalsContact O-CB 3.28Å; V1335-S1339 WeakPolarHBondContact O-CB 3.49Å; V1335-S1339 PolarHBondContact O-N 3.26Å; V1335-S1339 PolarHBondContact O-OG 3.05Å; V1335-F1356 HydrophobicContact CG2-CE1 4.07Å; V1335-F1356 HydrophobicContact CG2-CZ 4.26Å; V1335-R1380 HydrophobicContact CG1-CB 3.86Å; V1335-V1381 HydrophobicContact CG1-CG2 4.31Å; V1335-L1384 HydrophobicContact CG1-CB 4.33Å; V1335-L1384 HydrophobicContact CG1-CD2 4.39Å
1336L70.8Confident68.2Low62 Ų6228.8 Ų28.833%0.32517%0.17SC..Hα-helixtrans-61.5-47174.1-167.392.5000110.8E1332 A1333 A1334 F1338 S1339 K1340 R1380E1332-L1336 WeakPolarHBondContact O-CB 3.25Å; E1332-L1336 PolarHBondContact O-N 3.29Å; E1332-L1336 VanDerWaalsContact O-N 3.09Å; A1333-L1336 WeakPolarHBondContact O-CB 3.2Å; A1333-L1336 PolarHBondContact O-N 2.9Å; A1334-L1336 VanDerWaalsContact C-N 3.31Å; A1334-L1336 PolarHBondContact O-N 3.08Å; L1336-F1338 PolarHBondContact O-N 3.03Å; L1336-S1339 WeakPolarHBondContact CA-OG 3.42Å; L1336-S1339 PolarHBondContact O-N 3.42Å; L1336-S1339 PolarHBondContact O-OG 2.9Å; L1336-K1340 WeakPolarHBondContact O-CB 3.13Å; L1336-K1340 PolarHBondContact O-N 3.43Å; L1336-R1380 HydrophobicContact CD1-CG 4.47Å
1337F71.7Confident68.4Low1 Ų134.5 Ų34.50%0.00419%0.193CC..Hα-helixtrans-56.7-49.1175.2173.1-86.8000111.7F1293 F1297 L1308 L1311 L1315 A1333 A1334 K1340 G1341 F1349F1293-F1337 HydrophobicContact CB-CE2 4.36Å; F1297-F1337 HydrophobicContact CD2-CE2 4.47Å; F1297-F1337 AromaticContact CE2-CD2 3.6Å; F1297-F1337 HydrophobicContact CE2-CD2 3.6Å; F1297-F1337 AromaticContact CE2-CE2 3.16Å; F1297-F1337 HydrophobicContact CE2-CE2 3.16Å; F1297-F1337 AromaticContact CE2-CZ 3.78Å; F1297-F1337 HydrophobicContact CE2-CZ 3.78Å; F1297-F1337 HydrophobicContact CZ-CD2 4.17Å; F1297-F1337 AromaticContact CZ-CE2 3.25Å; F1297-F1337 HydrophobicContact CZ-CE2 3.25Å; F1297-F1337 AromaticContact CZ-CZ 3.53Å; F1297-F1337 HydrophobicContact CZ-CZ 3.53Å; L1308-F1337 HydrophobicContact CD2-CZ 3.85Å; L1311-F1337 HydrophobicContact CD2-CD2 4.41Å; L1311-F1337 HydrophobicContact CD2-CE1 4.38Å; L1311-F1337 HydrophobicContact CD2-CE2 3.57Å; L1311-F1337 HydrophobicContact CD2-CZ 3.58Å; L1315-F1337 HydrophobicContact CD1-CD1 4.01Å; L1315-F1337 HydrophobicContact CD1-CE1 4.17Å; L1315-F1337 HydrophobicContact CD1-CG 4.21Å; L1315-F1337 HydrophobicContact CD1-CZ 4.46Å; A1333-F1337 WeakPolarHBondContact O-CB 3.09Å; A1333-F1337 PolarHBondContact O-N 3.18Å; A1334-F1337 WeakPolarHBondContact O-CB 3.22Å; A1334-F1337 PolarHBondContact O-N 3.11Å; A1334-F1337 VanDerWaalsContact O-N 3.17Å; F1337-K1340 PolarHBondContact O-N 2.84Å; F1337-G1341 PolarHBondContact O-N 3.19Å; F1337-F1349 HydrophobicContact CE1-CZ 4.17Å
1338F74.2Confident68.4Low1 Ų142.3 Ų42.30%0.00422%0.221CC..Hα-helixtrans-68.1-38.3179.2-76.3-69.1000112.8A1334 V1335 L1336 G1341 A1342 F1349 I1353 F1356 L1384A1334-F1338 WeakPolarHBondContact O-CD2 3.46Å; A1334-F1338 PolarHBondContact O-N 3.01Å; V1335-F1338 PolarHBondContact O-N 2.82Å; L1336-F1338 PolarHBondContact O-N 3.03Å; F1338-G1341 PolarHBondContact O-N 3.48Å; F1338-A1342 WeakPolarHBondContact O-CB 3.47Å; F1338-A1342 PolarHBondContact O-N 3.37Å; F1338-F1349 AromaticContact CD1-CE1 3.62Å; F1338-F1349 HydrophobicContact CD1-CE1 3.62Å; F1338-F1349 AromaticContact CD1-CZ 3.6Å; F1338-F1349 HydrophobicContact CD1-CZ 3.6Å; F1338-F1349 HydrophobicContact CE1-CE1 4.29Å; F1338-F1349 AromaticContact CE1-CZ 3.83Å; F1338-F1349 HydrophobicContact CE1-CZ 3.83Å; F1338-I1353 HydrophobicContact CD1-CG1 4.27Å; F1338-F1356 HydrophobicContact CD2-CB 4.5Å; F1338-F1356 AromaticContact CD2-CD1 3.7Å; F1338-F1356 HydrophobicContact CD2-CD1 3.7Å; F1338-F1356 AromaticContact CD2-CD2 3.97Å; F1338-F1356 HydrophobicContact CD2-CD2 3.97Å; F1338-F1356 AromaticContact CD2-CE1 3.8Å; F1338-F1356 HydrophobicContact CD2-CE1 3.8Å; F1338-F1356 HydrophobicContact CD2-CE2 4.08Å; F1338-F1356 AromaticContact CD2-CG 3.79Å; F1338-F1356 HydrophobicContact CD2-CG 3.79Å; F1338-F1356 AromaticContact CD2-CZ 4Å; F1338-F1356 HydrophobicContact CD2-CZ 4Å; F1338-F1356 HydrophobicContact CE1-CB 4.36Å; F1338-F1356 HydrophobicContact CE2-CB 4.11Å; F1338-F1356 AromaticContact CE2-CD1 3.95Å; F1338-F1356 HydrophobicContact CE2-CD1 3.95Å; F1338-F1356 AromaticContact CE2-CD2 3.37Å; F1338-F1356 HydrophobicContact CE2-CD2 3.37Å; F1338-F1356 HydrophobicContact CE2-CE1 4.21Å; F1338-F1356 AromaticContact CE2-CE2 3.68Å; F1338-F1356 HydrophobicContact CE2-CE2 3.68Å; F1338-F1356 AromaticContact CE2-CG 3.53Å; F1338-F1356 HydrophobicContact CE2-CG 3.53Å; F1338-F1356 HydrophobicContact CE2-CZ 4.08Å; F1338-F1356 HydrophobicContact CG-CD1 4.25Å; F1338-F1356 HydrophobicContact CG-CG 4.46Å; F1338-F1356 HydrophobicContact CZ-CB 4.04Å; F1338-F1356 AromaticContact CZ-CD2 3.96Å; F1338-F1356 HydrophobicContact CZ-CD2 3.96Å; F1338-F1356 AromaticContact CZ-CG 3.98Å; F1338-F1356 HydrophobicContact CZ-CG 3.98Å; F1338-L1384 HydrophobicContact CB-CD1 3.97Å
1339S70.1Confident68.6Low18 Ų1840.3 Ų40.313%0.12621%0.21CC..Hα-helixtrans-64.9-41.5177.168.70000111.8V1335 L1336 A1342 S1343V1335-S1339 VanDerWaalsContact O-CB 3.28Å; V1335-S1339 WeakPolarHBondContact O-CB 3.49Å; V1335-S1339 PolarHBondContact O-N 3.26Å; V1335-S1339 PolarHBondContact O-OG 3.05Å; L1336-S1339 WeakPolarHBondContact CA-OG 3.42Å; L1336-S1339 PolarHBondContact O-N 3.42Å; L1336-S1339 PolarHBondContact O-OG 2.9Å; S1339-A1342 PolarHBondContact O-N 3.49Å; S1339-S1343 PolarHBondContact O-N 3.02Å
1340K67.4Low68.7Low73 Ų7338.1 Ų38.132%0.31720%0.197SC..Hα-helixtrans-73.3-39.1178.3-156148.3-179.8-179.70110.9G1294 N1295 L1336 F1337 A1342 S1343 T1344G1294-K1340 VanDerWaalsContact O-CD 3.3Å; G1294-K1340 WeakPolarHBondContact O-CD 3.44Å; G1294-K1340 WeakPolarHBondContact O-CE 3.42Å; N1295-K1340 PolarHBondContact OD1-NZ 3.06Å; L1336-K1340 WeakPolarHBondContact O-CB 3.13Å; L1336-K1340 PolarHBondContact O-N 3.43Å; F1337-K1340 PolarHBondContact O-N 2.84Å; K1340-A1342 PolarHBondContact O-N 3.01Å; K1340-S1343 PolarHBondContact O-N 3.43Å; K1340-S1343 PolarHBondContact O-OG 2.86Å; K1340-T1344 WeakPolarHBondContact O-CG2 3.38Å; K1340-T1344 PolarHBondContact O-N 3.08Å; K1340-T1344 VanDerWaalsContact O-N 3.15Å; K1340-T1344 PolarHBondContact O-OG1 3.37Å
1341G67.8Low68.8Low0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-60.6-39170.600000113.5F1337 F1338 T1344 L1345F1337-G1341 PolarHBondContact O-N 3.19Å; F1338-G1341 PolarHBondContact O-N 3.48Å; G1341-T1344 PolarHBondContact O-N 3.34Å; G1341-T1344 PolarHBondContact O-OG1 3.48Å; G1341-L1345 WeakPolarHBondContact O-CB 3.41Å; G1341-L1345 PolarHBondContact O-N 3.23Å
1342A68.3Low68.7Low3 Ų343.8 Ų43.83%0.02523%0.232CC..Hα-helixtrans-62.3-42.7174.600000111.5F1338 S1339 K1340 T1344 G1346 I1353 A1387 L1391F1338-A1342 WeakPolarHBondContact O-CB 3.47Å; F1338-A1342 PolarHBondContact O-N 3.37Å; S1339-A1342 PolarHBondContact O-N 3.49Å; K1340-A1342 PolarHBondContact O-N 3.01Å; A1342-T1344 VanDerWaalsContact C-N 3.31Å; A1342-T1344 PolarHBondContact O-N 3.08Å; A1342-G1346 PolarHBondContact O-N 3.38Å; A1342-I1353 HydrophobicContact CB-CD1 3.59Å; A1342-A1387 HydrophobicContact CB-CB 3.84Å; A1342-L1391 HydrophobicContact CB-CD1 4.12Å
1343S66.5Low68.8Low86 Ų8642 Ų4260%0.60122%0.224SC*.Hα-helixtrans-68.6-25.5179.270.20000114.1S1339 K1340S1339-S1343 PolarHBondContact O-N 3.02Å; K1340-S1343 PolarHBondContact O-N 3.43Å; K1340-S1343 PolarHBondContact O-OG 2.86Å
1344T64.7Low69.1Low63 Ų6343.5 Ų43.539%0.38723%0.234SC..Hα-helixtrans-103.9-35.7-174.155.50000114.2F1297 K1340 G1341 A1342F1297-T1344 WeakPolarHBondContact O-CG2 3.15Å; K1340-T1344 WeakPolarHBondContact O-CG2 3.38Å; K1340-T1344 PolarHBondContact O-N 3.08Å; K1340-T1344 VanDerWaalsContact O-N 3.15Å; K1340-T1344 PolarHBondContact O-OG1 3.37Å; G1341-T1344 PolarHBondContact O-N 3.34Å; G1341-T1344 PolarHBondContact O-OG1 3.48Å; A1342-T1344 VanDerWaalsContact C-N 3.31Å; A1342-T1344 PolarHBondContact O-N 3.08Å
1345L64.7Low69.2Low49 Ų4946.2 Ų46.226%0.25726%0.256SS..Hα-helixtrans-100.1-7.9-173.8-64.2165.2000114L1308 G1341 F1349L1308-L1345 HydrophobicContact CD1-CD1 3.6Å; L1308-L1345 HydrophobicContact CD1-CD2 4.5Å; G1341-L1345 WeakPolarHBondContact O-CB 3.41Å; G1341-L1345 PolarHBondContact O-N 3.23Å; L1345-F1349 HydrophobicContact CB-CB 3.92Å; L1345-F1349 HydrophobicContact CB-CG 4.41Å; L1345-F1349 HydrophobicContact CD1-CB 4.46Å; L1345-F1349 HydrophobicContact CD1-CD2 3.98Å; L1345-F1349 HydrophobicContact CD1-CE2 4.35Å; L1345-F1349 HydrophobicContact CD1-CG 4.13Å
1346G66.2Low69.2Low22 Ų2246.1 Ų46.123%0.22726%0.256CS..G310 helixtrans61-142.6173.400000114.3A1342 R1348 F1349A1342-G1346 PolarHBondContact O-N 3.38Å; G1346-R1348 PolarHBondContact O-N 3.07Å; G1346-F1349 PolarHBondContact O-N 3.18Å
1347Q65Low69.4Low149 Ų14943.5 Ų43.570%0.69624%0.242SC*.G310 helixtrans-59.5-20.2-175.7-76.4-171-1800114.6F1349 V1350 L1391Q1347-F1349 VanDerWaalsContact C-N 3.27Å; Q1347-F1349 PolarHBondContact O-N 3.18Å; Q1347-V1350 WeakPolarHBondContact O-CG2 3.5Å; Q1347-L1391 PolarHBondContact NE2-O 2.95Å
1348R63.5Low69.3Low177 Ų17745.3 Ų45.367%0.66826%0.257SS*.G310 helixtrans-77.2-10.8-176.1-68.3179.7178.1165.14114.1G1346G1346-R1348 PolarHBondContact O-N 3.07Å
1349F70.8Confident69.2Low7 Ų747.3 Ų47.33%0.03127%0.274CS..G310 helixtrans-106.9-0.1-179-161.2-126.2000112.4L1308 F1337 F1338 L1345 G1346 Q1347 S1351 E1352 I1353L1308-F1349 HydrophobicContact CD2-CE2 4.25Å; F1337-F1349 HydrophobicContact CE1-CZ 4.17Å; F1338-F1349 AromaticContact CD1-CE1 3.62Å; F1338-F1349 HydrophobicContact CD1-CE1 3.62Å; F1338-F1349 AromaticContact CD1-CZ 3.6Å; F1338-F1349 HydrophobicContact CD1-CZ 3.6Å; F1338-F1349 HydrophobicContact CE1-CE1 4.29Å; F1338-F1349 AromaticContact CE1-CZ 3.83Å; F1338-F1349 HydrophobicContact CE1-CZ 3.83Å; L1345-F1349 HydrophobicContact CB-CB 3.92Å; L1345-F1349 HydrophobicContact CB-CG 4.41Å; L1345-F1349 HydrophobicContact CD1-CB 4.46Å; L1345-F1349 HydrophobicContact CD1-CD2 3.98Å; L1345-F1349 HydrophobicContact CD1-CE2 4.35Å; L1345-F1349 HydrophobicContact CD1-CG 4.13Å; G1346-F1349 PolarHBondContact O-N 3.18Å; Q1347-F1349 VanDerWaalsContact C-N 3.27Å; Q1347-F1349 PolarHBondContact O-N 3.18Å; F1349-S1351 VanDerWaalsContact C-N 3.33Å; F1349-S1351 PolarHBondContact O-N 3.19Å; F1349-E1352 WeakPolarHBondContact CA-OE2 3.41Å; F1349-E1352 HydrophobicContact CD2-CB 4.13Å; F1349-E1352 HydrophobicContact CD2-CG 4.4Å; F1349-E1352 HydrophobicContact CE2-CB 4.09Å; F1349-E1352 HydrophobicContact CE2-CG 4.44Å; F1349-E1352 PolarHBondContact O-N 3.22Å; F1349-I1353 HydrophobicContact CD1-CD1 3.73Å; F1349-I1353 HydrophobicContact CD1-CG1 3.79Å; F1349-I1353 HydrophobicContact CE1-CD1 4.39Å; F1349-I1353 HydrophobicContact CE1-CG1 4.06Å; F1349-I1353 HydrophobicContact CG-CD1 4.48Å; F1349-I1353 VanDerWaalsContact O-CG1 3.31Å; F1349-I1353 WeakPolarHBondContact O-CG1 3.48Å; F1349-I1353 PolarHBondContact O-N 2.81Å
1350V68.6Low69.4Low14 Ų1446.8 Ų46.89%0.08527%0.27CS..Hα-helixtrans-64.1-36.5-176.9174.10000111.4Q1347 E1352 I1353 S1354 F1388 L1391 E1392Q1347-V1350 WeakPolarHBondContact O-CG2 3.5Å; V1350-E1352 PolarHBondContact O-N 2.94Å; V1350-I1353 PolarHBondContact O-N 3.49Å; V1350-S1354 VanDerWaalsContact O-CB 3.27Å; V1350-S1354 WeakPolarHBondContact O-CB 3.49Å; V1350-S1354 PolarHBondContact O-N 3.17Å; V1350-S1354 PolarHBondContact O-OG 3.39Å; V1350-F1388 HydrophobicContact CG1-CE2 3.92Å; V1350-F1388 HydrophobicContact CG1-CZ 4.28Å; V1350-L1391 HydrophobicContact CG2-CB 3.89Å; V1350-L1391 HydrophobicContact CG2-CD1 4.13Å; V1350-E1392 HydrophobicContact CG1-CG 4.14Å
1351S70.7Confident69.7Low73 Ų7349.2 Ų49.251%0.5128%0.277SS..Hα-helixtrans-61-45.6176.733.70000112.3F1349 S1354 A1355F1349-S1351 VanDerWaalsContact C-N 3.33Å; F1349-S1351 PolarHBondContact O-N 3.19Å; S1351-S1354 PolarHBondContact O-N 3.4Å; S1351-S1354 PolarHBondContact O-OG 3.44Å; S1351-A1355 WeakPolarHBondContact O-CB 3.16Å; S1351-A1355 PolarHBondContact O-N 3.46Å
1352E70.6Confident69.9Low70 Ų7057 Ų5733%0.32731%0.313SS..Hα-helixtrans-70.5-39-178.6-66.181.6170.800110.9F1349 V1350 A1355 F1356F1349-E1352 WeakPolarHBondContact CA-OE2 3.41Å; F1349-E1352 HydrophobicContact CD2-CB 4.13Å; F1349-E1352 HydrophobicContact CD2-CG 4.4Å; F1349-E1352 HydrophobicContact CE2-CB 4.09Å; F1349-E1352 HydrophobicContact CE2-CG 4.44Å; F1349-E1352 PolarHBondContact O-N 3.22Å; V1350-E1352 PolarHBondContact O-N 2.94Å; E1352-A1355 PolarHBondContact O-N 3.01Å; E1352-F1356 WeakPolarHBondContact O-CB 3.32Å; E1352-F1356 PolarHBondContact O-N 3.38Å
1353I72.1Confident70.3Confident0 Ų058.8 Ų58.80%032%0.321CS..Hα-helixtrans-65.2-44.8172.5-61.5162000110.5F1338 A1342 F1349 V1350 A1355 F1356 V1357 L1384 F1388F1338-I1353 HydrophobicContact CD1-CG1 4.27Å; A1342-I1353 HydrophobicContact CB-CD1 3.59Å; F1349-I1353 HydrophobicContact CD1-CD1 3.73Å; F1349-I1353 HydrophobicContact CD1-CG1 3.79Å; F1349-I1353 HydrophobicContact CE1-CD1 4.39Å; F1349-I1353 HydrophobicContact CE1-CG1 4.06Å; F1349-I1353 HydrophobicContact CG-CD1 4.48Å; F1349-I1353 VanDerWaalsContact O-CG1 3.31Å; F1349-I1353 WeakPolarHBondContact O-CG1 3.48Å; F1349-I1353 PolarHBondContact O-N 2.81Å; V1350-I1353 PolarHBondContact O-N 3.49Å; I1353-A1355 VanDerWaalsContact C-N 3.31Å; I1353-A1355 PolarHBondContact O-N 2.86Å; I1353-F1356 PolarHBondContact O-N 3.02Å; I1353-V1357 HydrophobicContact CG2-CG2 4.02Å; I1353-V1357 WeakPolarHBondContact O-CB 3.12Å; I1353-V1357 VanDerWaalsContact O-CG2 3.3Å; I1353-V1357 WeakPolarHBondContact O-CG2 3.22Å; I1353-V1357 PolarHBondContact O-N 3.07Å; I1353-L1384 HydrophobicContact CG2-CD1 4.17Å; I1353-F1388 HydrophobicContact CB-CD2 4.11Å; I1353-F1388 HydrophobicContact CB-CE2 4.15Å; I1353-F1388 HydrophobicContact CD1-CD2 4.37Å; I1353-F1388 HydrophobicContact CG2-CD2 3.49Å; I1353-F1388 VanDerWaalsContact CG2-CD2 3.49Å; I1353-F1388 HydrophobicContact CG2-CE2 3.82Å; I1353-F1388 HydrophobicContact CG2-CG 4.42Å
1354S71.6Confident70.7Confident44 Ų4454.7 Ų54.731%0.30829%0.292SS..Hα-helixtrans-62-39.9178.874.50000111.5V1350 S1351 A1358V1350-S1354 VanDerWaalsContact O-CB 3.27Å; V1350-S1354 WeakPolarHBondContact O-CB 3.49Å; V1350-S1354 PolarHBondContact O-N 3.17Å; V1350-S1354 PolarHBondContact O-OG 3.39Å; S1351-S1354 PolarHBondContact O-N 3.4Å; S1351-S1354 PolarHBondContact O-OG 3.44Å; S1354-A1358 WeakPolarHBondContact O-CB 3.28Å; S1354-A1358 PolarHBondContact O-N 2.96Å
1355A73.7Confident71.2Confident57 Ų5753.8 Ų53.847%0.47129%0.285SS..Hα-helixtrans-65.6-41.6174.700000112S1351 E1352 I1353 A1359S1351-A1355 WeakPolarHBondContact O-CB 3.16Å; S1351-A1355 PolarHBondContact O-N 3.46Å; E1352-A1355 PolarHBondContact O-N 3.01Å; I1353-A1355 VanDerWaalsContact C-N 3.31Å; I1353-A1355 PolarHBondContact O-N 2.86Å; A1355-A1359 VanDerWaalsContact O-CB 3.26Å; A1355-A1359 WeakPolarHBondContact O-CB 3.36Å; A1355-A1359 PolarHBondContact O-N 3.4Å
1356F75.2Confident71.6Confident0 Ų053.2 Ų53.20%029%0.287CS..Hα-helixtrans-65.7-47.4175.5179.2-105000112.2T1316 F1331 A1334 V1335 F1338 E1352 I1353 A1358 A1359 H1360 F1364T1316-F1356 HydrophobicContact CG2-CD2 4.23Å; F1331-F1356 AromaticContact CD2-CZ 3.99Å; F1331-F1356 HydrophobicContact CD2-CZ 3.99Å; F1331-F1356 HydrophobicContact CE2-CE1 4.18Å; F1331-F1356 AromaticContact CE2-CZ 3.66Å; F1331-F1356 HydrophobicContact CE2-CZ 3.66Å; A1334-F1356 HydrophobicContact CB-CE2 4.38Å; A1334-F1356 HydrophobicContact CB-CZ 4.25Å; V1335-F1356 HydrophobicContact CG2-CE1 4.07Å; V1335-F1356 HydrophobicContact CG2-CZ 4.26Å; F1338-F1356 HydrophobicContact CD2-CB 4.5Å; F1338-F1356 AromaticContact CD2-CD1 3.7Å; F1338-F1356 HydrophobicContact CD2-CD1 3.7Å; F1338-F1356 AromaticContact CD2-CD2 3.97Å; F1338-F1356 HydrophobicContact CD2-CD2 3.97Å; F1338-F1356 AromaticContact CD2-CE1 3.8Å; F1338-F1356 HydrophobicContact CD2-CE1 3.8Å; F1338-F1356 HydrophobicContact CD2-CE2 4.08Å; F1338-F1356 AromaticContact CD2-CG 3.79Å; F1338-F1356 HydrophobicContact CD2-CG 3.79Å; F1338-F1356 AromaticContact CD2-CZ 4Å; F1338-F1356 HydrophobicContact CD2-CZ 4Å; F1338-F1356 HydrophobicContact CE1-CB 4.36Å; F1338-F1356 HydrophobicContact CE2-CB 4.11Å; F1338-F1356 AromaticContact CE2-CD1 3.95Å; F1338-F1356 HydrophobicContact CE2-CD1 3.95Å; F1338-F1356 AromaticContact CE2-CD2 3.37Å; F1338-F1356 HydrophobicContact CE2-CD2 3.37Å; F1338-F1356 HydrophobicContact CE2-CE1 4.21Å; F1338-F1356 AromaticContact CE2-CE2 3.68Å; F1338-F1356 HydrophobicContact CE2-CE2 3.68Å; F1338-F1356 AromaticContact CE2-CG 3.53Å; F1338-F1356 HydrophobicContact CE2-CG 3.53Å; F1338-F1356 HydrophobicContact CE2-CZ 4.08Å; F1338-F1356 HydrophobicContact CG-CD1 4.25Å; F1338-F1356 HydrophobicContact CG-CG 4.46Å; F1338-F1356 HydrophobicContact CZ-CB 4.04Å; F1338-F1356 AromaticContact CZ-CD2 3.96Å; F1338-F1356 HydrophobicContact CZ-CD2 3.96Å; F1338-F1356 AromaticContact CZ-CG 3.98Å; F1338-F1356 HydrophobicContact CZ-CG 3.98Å; E1352-F1356 WeakPolarHBondContact O-CB 3.32Å; E1352-F1356 PolarHBondContact O-N 3.38Å; I1353-F1356 PolarHBondContact O-N 3.02Å; F1356-A1358 VanDerWaalsContact C-N 3.31Å; F1356-A1358 PolarHBondContact O-N 3.45Å; F1356-A1359 PolarHBondContact O-N 3.37Å; F1356-H1360 AromaticContact CD2-CD2 3.41Å; F1356-H1360 VanDerWaalsContact CD2-CD2 3.41Å; F1356-H1360 WeakPolarHBondContact CD2-CD2 3.43Å; F1356-H1360 AromaticContact CD2-NE2 3.77Å; F1356-H1360 AromaticContact CE2-CD2 3.35Å; F1356-H1360 WeakPolarHBondContact CE2-CD2 3.46Å; F1356-H1360 AromaticContact CE2-NE2 3.61Å; F1356-H1360 PolarHBondContact O-CD2 2.86Å; F1356-H1360 VanDerWaalsContact O-CD2 3.24Å; F1356-H1360 PolarHBondContact O-N 3.25Å; F1356-H1360 VanDerWaalsContact O-N 3.07Å; F1356-F1364 HydrophobicContact CD1-CE2 4.26Å; F1356-F1364 HydrophobicContact CD1-CZ 4.18Å; F1356-F1364 HydrophobicContact CE1-CE2 4.02Å; F1356-F1364 AromaticContact CE1-CZ 3.82Å; F1356-F1364 HydrophobicContact CE1-CZ 3.82Å
1357V73.3Confident72Confident6 Ų652.2 Ų52.24%0.03628%0.277CS..Hα-helixtrans-63.6-38.6177.7174.80000111I1353 R1361 F1364 L1384 L1405I1353-V1357 HydrophobicContact CG2-CG2 4.02Å; I1353-V1357 WeakPolarHBondContact O-CB 3.12Å; I1353-V1357 VanDerWaalsContact O-CG2 3.3Å; I1353-V1357 WeakPolarHBondContact O-CG2 3.22Å; I1353-V1357 PolarHBondContact O-N 3.07Å; V1357-R1361 PolarHBondContact O-N 2.98Å; V1357-F1364 HydrophobicContact CB-CE2 4.39Å; V1357-F1364 HydrophobicContact CG2-CE2 4.12Å; V1357-F1364 HydrophobicContact CG2-CZ 4.03Å; V1357-L1384 HydrophobicContact CG2-CD2 4.41Å; V1357-L1405 HydrophobicContact CG1-CD2 4.02Å
1358A71.1Confident72.3Confident40 Ų4045.2 Ų45.233%0.33124%0.244SC..Hα-helixtrans-67-42.4175.200000112.5S1354 F1356 H1360 F1400S1354-A1358 WeakPolarHBondContact O-CB 3.28Å; S1354-A1358 PolarHBondContact O-N 2.96Å; F1356-A1358 VanDerWaalsContact C-N 3.31Å; F1356-A1358 PolarHBondContact O-N 3.45Å; A1358-H1360 VanDerWaalsContact C-N 3.33Å; A1358-H1360 PolarHBondContact O-N 2.86Å; A1358-F1400 HydrophobicContact CB-CD1 4.27Å; A1358-F1400 HydrophobicContact CB-CE1 3.79Å; A1358-F1400 HydrophobicContact CB-CZ 4.41Å
1359A72Confident72.5Confident43 Ų4340.5 Ų40.536%0.35524%0.238SC..Hα-helixtrans-66.1-32.217900000113.1A1355 F1356A1355-A1359 VanDerWaalsContact O-CB 3.26Å; A1355-A1359 WeakPolarHBondContact O-CB 3.36Å; A1355-A1359 PolarHBondContact O-N 3.4Å; F1356-A1359 PolarHBondContact O-N 3.37Å
1360H73.2Confident72.4Confident7 Ų741.7 Ų41.73%0.03225%0.247CC..THydrogen-bonded Turntrans-111.726.3-172.3-62.8-78.4000114.7T1319 F1331 F1356 A1358 E1362 Q1363 F1364T1319-H1360 PolarHBondContact OG1-CE1 2.89Å; T1319-H1360 PolarHBondContact OG1-NE2 3.17Å; F1331-H1360 HydrophobicContact CE2-CB 4.01Å; F1356-H1360 AromaticContact CD2-CD2 3.41Å; F1356-H1360 VanDerWaalsContact CD2-CD2 3.41Å; F1356-H1360 WeakPolarHBondContact CD2-CD2 3.43Å; F1356-H1360 AromaticContact CD2-NE2 3.77Å; F1356-H1360 AromaticContact CE2-CD2 3.35Å; F1356-H1360 WeakPolarHBondContact CE2-CD2 3.46Å; F1356-H1360 AromaticContact CE2-NE2 3.61Å; F1356-H1360 PolarHBondContact O-CD2 2.86Å; F1356-H1360 VanDerWaalsContact O-CD2 3.24Å; F1356-H1360 PolarHBondContact O-N 3.25Å; F1356-H1360 VanDerWaalsContact O-N 3.07Å; A1358-H1360 VanDerWaalsContact C-N 3.33Å; A1358-H1360 PolarHBondContact O-N 2.86Å; H1360-E1362 VanDerWaalsContact C-N 3.3Å; H1360-E1362 PolarHBondContact O-N 2.88Å; H1360-E1362 VanDerWaalsContact O-N 3.14Å; H1360-Q1363 HydrophobicContact CB-CB 4.4Å; H1360-Q1363 PolarHBondContact ND1-OE1 3.39Å; H1360-Q1363 PolarHBondContact O-N 2.9Å; H1360-F1364 HydrophobicContact CB-CD2 4.13Å; H1360-F1364 HydrophobicContact CB-CE2 4.09Å; H1360-F1364 WeakPolarHBondContact O-CD2 3.42Å; H1360-F1364 PolarHBondContact O-N 2.82Å; H1360-F1364 VanDerWaalsContact O-N 3.14Å
1361R73.6Confident72.2Confident124 Ų12441.4 Ų41.447%0.46825%0.245SC..Hα-helixtrans-46.5-46.4-176.5177.4176.1178.4175.22.9114.5V1357 L1365 L1405V1357-R1361 PolarHBondContact O-N 2.98Å; R1361-L1365 HydrophobicContact CG-CD1 4.22Å; R1361-L1365 PolarHBondContact O-N 3.22Å; R1361-L1405 HydrophobicContact CB-CD2 4.23Å; R1361-L1405 HydrophobicContact CG-CD1 3.75Å; R1361-L1405 HydrophobicContact CG-CD2 3.88Å; R1361-L1405 HydrophobicContact CG-CG 4.48Å
1362E73.6Confident71.7Confident164 Ų16446.1 Ų46.177%0.76626%0.257SS*.Hα-helixtrans-69.6-35.7-178.2-64.9-158.3165.300112.6H1360 L1365 A1366H1360-E1362 VanDerWaalsContact C-N 3.3Å; H1360-E1362 PolarHBondContact O-N 2.88Å; H1360-E1362 VanDerWaalsContact O-N 3.14Å; E1362-L1365 PolarHBondContact O-N 3.43Å; E1362-A1366 VanDerWaalsContact O-CB 3.23Å; E1362-A1366 WeakPolarHBondContact O-CB 3.17Å; E1362-A1366 PolarHBondContact O-N 3.17Å
1363Q75.4Confident71.3Confident40 Ų4051 Ų5119%0.18728%0.279CS..Hα-helixtrans-67.1-41.3177.5-68.5177.5-1300111F1331 H1360 A1366 V1367F1331-Q1363 HydrophobicContact CE2-CB 4.23Å; F1331-Q1363 HydrophobicContact CZ-CB 4.24Å; H1360-Q1363 HydrophobicContact CB-CB 4.4Å; H1360-Q1363 PolarHBondContact ND1-OE1 3.39Å; H1360-Q1363 PolarHBondContact O-N 2.9Å; Q1363-A1366 PolarHBondContact O-N 2.96Å; Q1363-V1367 WeakPolarHBondContact O-CB 3.4Å; Q1363-V1367 VanDerWaalsContact O-CG2 3.27Å; Q1363-V1367 WeakPolarHBondContact O-CG2 3.34Å; Q1363-V1367 PolarHBondContact O-N 3.47Å
1364F75.6Confident71Confident0 Ų054.7 Ų54.70%029%0.293CS..Hα-helixtrans-60.6-45.9174.5-82-79.4000112.6F1331 F1356 V1357 H1360 V1367 C1368 V1381 L1384 F1385F1331-F1364 HydrophobicContact CE2-CE2 4.31Å; F1331-F1364 HydrophobicContact CZ-CD2 4.28Å; F1331-F1364 HydrophobicContact CZ-CE1 4.35Å; F1331-F1364 HydrophobicContact CZ-CE2 4.02Å; F1331-F1364 HydrophobicContact CZ-CZ 4.07Å; F1356-F1364 HydrophobicContact CD1-CE2 4.26Å; F1356-F1364 HydrophobicContact CD1-CZ 4.18Å; F1356-F1364 HydrophobicContact CE1-CE2 4.02Å; F1356-F1364 AromaticContact CE1-CZ 3.82Å; F1356-F1364 HydrophobicContact CE1-CZ 3.82Å; V1357-F1364 HydrophobicContact CB-CE2 4.39Å; V1357-F1364 HydrophobicContact CG2-CE2 4.12Å; V1357-F1364 HydrophobicContact CG2-CZ 4.03Å; H1360-F1364 HydrophobicContact CB-CD2 4.13Å; H1360-F1364 HydrophobicContact CB-CE2 4.09Å; H1360-F1364 WeakPolarHBondContact O-CD2 3.42Å; H1360-F1364 PolarHBondContact O-N 2.82Å; H1360-F1364 VanDerWaalsContact O-N 3.14Å; F1364-V1367 PolarHBondContact O-N 3.24Å; F1364-C1368 PolarHBondContact O-N 3.44Å; F1364-C1368 VanDerWaalsContact O-N 3.12Å; F1364-C1368 PolarHBondContact O-SG 3.3Å; F1364-V1381 HydrophobicContact CD1-CB 4.47Å; F1364-V1381 HydrophobicContact CD1-CG1 3.63Å; F1364-V1381 HydrophobicContact CD1-CG2 3.98Å; F1364-V1381 HydrophobicContact CE1-CB 4.43Å; F1364-V1381 HydrophobicContact CE1-CG1 3.87Å; F1364-V1381 HydrophobicContact CE1-CG2 3.89Å; F1364-L1384 HydrophobicContact CE1-CD2 3.95Å; F1364-L1384 HydrophobicContact CZ-CD2 3.79Å; F1364-F1385 AromaticContact CD1-CE1 3.91Å; F1364-F1385 HydrophobicContact CD1-CE1 3.91Å; F1364-F1385 AromaticContact CD1-CZ 3.82Å; F1364-F1385 HydrophobicContact CD1-CZ 3.82Å; F1364-F1385 AromaticContact CE1-CE1 3.92Å; F1364-F1385 HydrophobicContact CE1-CE1 3.92Å; F1364-F1385 HydrophobicContact CE1-CZ 4.3Å
1365L74.2Confident70.7Confident44 Ų4457.4 Ų57.423%0.2330%0.297CS..Hα-helixtrans-64.8-42.1176.2-78.2164.7000112R1361 E1362 C1368 S1369 L1405R1361-L1365 HydrophobicContact CG-CD1 4.22Å; R1361-L1365 PolarHBondContact O-N 3.22Å; E1362-L1365 PolarHBondContact O-N 3.43Å; L1365-C1368 PolarHBondContact O-N 3.49Å; L1365-S1369 WeakPolarHBondContact O-CB 3.47Å; L1365-S1369 PolarHBondContact O-N 2.83Å; L1365-S1369 PolarHBondContact O-OG 3.25Å; L1365-S1369 VanDerWaalsContact O-OG 3.11Å; L1365-L1405 HydrophobicContact CD1-CD1 3.83Å; L1365-L1405 HydrophobicContact CD2-CD1 4.15Å; L1365-L1405 HydrophobicContact CG-CD1 3.82Å
1366A73.3Confident70.5Confident37 Ų3759.4 Ų59.431%0.30630%0.3SS..Hα-helixtrans-62.6-44.1178.100000111.4E1362 Q1363 S1369 S1370E1362-A1366 VanDerWaalsContact O-CB 3.23Å; E1362-A1366 WeakPolarHBondContact O-CB 3.17Å; E1362-A1366 PolarHBondContact O-N 3.17Å; Q1363-A1366 PolarHBondContact O-N 2.96Å; A1366-S1369 PolarHBondContact O-N 2.87Å; A1366-S1369 PolarHBondContact O-OG 3.23Å; A1366-S1370 WeakPolarHBondContact O-CB 3.37Å; A1366-S1370 PolarHBondContact O-N 3.46Å; A1366-S1370 VanDerWaalsContact O-N 3.08Å; A1366-S1370 PolarHBondContact O-OG 3.41Å
1367V73.9Confident70.3Confident1 Ų159.5 Ų59.51%0.00630%0.3CS..Hα-helixtrans-62.9-46.3177.3171.10000111.4F1331 Q1363 F1364 S1369 S1370 R1374 A1377 V1381F1331-V1367 HydrophobicContact CE1-CG2 4.38Å; Q1363-V1367 WeakPolarHBondContact O-CB 3.4Å; Q1363-V1367 VanDerWaalsContact O-CG2 3.27Å; Q1363-V1367 WeakPolarHBondContact O-CG2 3.34Å; Q1363-V1367 PolarHBondContact O-N 3.47Å; F1364-V1367 PolarHBondContact O-N 3.24Å; V1367-S1369 VanDerWaalsContact C-N 3.34Å; V1367-S1369 PolarHBondContact O-N 2.89Å; V1367-S1370 PolarHBondContact O-N 3.24Å; V1367-R1374 HydrophobicContact CG1-CB 4.46Å; V1367-A1377 HydrophobicContact CG1-CB 3.67Å; V1367-A1377 HydrophobicContact CG2-CB 4.34Å; V1367-V1381 HydrophobicContact CG1-CG2 4.24Å
1368C71.4Confident70.4Confident2 Ų259.2 Ų59.21%0.01430%0.299CS..Hα-helixtrans-69.9-29.4-178.9-62.70000113.1F1364 L1365 C1409F1364-C1368 PolarHBondContact O-N 3.44Å; F1364-C1368 VanDerWaalsContact O-N 3.12Å; F1364-C1368 PolarHBondContact O-SG 3.3Å; L1365-C1368 PolarHBondContact O-N 3.49Å; C1368-C1409 HydrophobicContact CB-CB 4.27Å
1369S69.5Low70.5Confident77 Ų7758.6 Ų58.654%0.53829%0.289SS..Hα-helixtrans-78.5-29.5176.868.90000114L1365 A1366 V1367L1365-S1369 WeakPolarHBondContact O-CB 3.47Å; L1365-S1369 PolarHBondContact O-N 2.83Å; L1365-S1369 PolarHBondContact O-OG 3.25Å; L1365-S1369 VanDerWaalsContact O-OG 3.11Å; A1366-S1369 PolarHBondContact O-N 2.87Å; A1366-S1369 PolarHBondContact O-OG 3.23Å; V1367-S1369 VanDerWaalsContact C-N 3.34Å; V1367-S1369 PolarHBondContact O-N 2.89Å
1370S68.2Low70.6Confident32 Ų3260 Ų6022%0.22429%0.286CS..  trans-103.545.5-175.359.20000113.4A1366 V1367 K1372 E1373 R1374A1366-S1370 WeakPolarHBondContact O-CB 3.37Å; A1366-S1370 PolarHBondContact O-N 3.46Å; A1366-S1370 VanDerWaalsContact O-N 3.08Å; A1366-S1370 PolarHBondContact O-OG 3.41Å; V1367-S1370 PolarHBondContact O-N 3.24Å; S1370-K1372 PolarHBondContact O-N 3.36Å; S1370-E1373 PolarHBondContact O-N 2.91Å; S1370-E1373 VanDerWaalsContact O-N 3.08Å; S1370-R1374 PolarHBondContact O-N 3.48Å; S1370-R1374 WeakPolarHBondContact OG-CD 3.36Å
1371F63.5Low70.9Confident9 Ų959.7 Ų59.74%0.03928%0.284CS..THydrogen-bonded Turntrans-53.6-26.4-177.6-174.6-109.1000114.6E1373 R1375 T1378 L1413 V1416 L1417 K1420 L1436F1371-E1373 VanDerWaalsContact C-N 3.31Å; F1371-E1373 PolarHBondContact O-N 2.9Å; F1371-R1375 HydrophobicContact CZ-CG 4.47Å; F1371-R1375 WeakPolarHBondContact O-CG 3.27Å; F1371-T1378 HydrophobicContact CD2-CG2 3.99Å; F1371-T1378 HydrophobicContact CE2-CG2 4.33Å; F1371-L1413 HydrophobicContact CD2-CD1 4.08Å; F1371-L1413 HydrophobicContact CG-CD1 4.48Å; F1371-V1416 HydrophobicContact CB-CG1 3.87Å; F1371-V1416 HydrophobicContact CD1-CG1 4.5Å; F1371-V1416 HydrophobicContact CG-CG1 4.47Å; F1371-L1417 HydrophobicContact CD1-CD2 4.2Å; F1371-L1417 HydrophobicContact CE1-CD2 3.74Å; F1371-L1417 HydrophobicContact CE2-CD2 4.18Å; F1371-L1417 HydrophobicContact CZ-CD2 3.73Å; F1371-K1420 HydrophobicContact CD1-CD 4.36Å; F1371-K1420 HydrophobicContact CE1-CD 4.09Å; F1371-L1436 HydrophobicContact CE2-CD1 3.74Å; F1371-L1436 HydrophobicContact CE2-CD2 4.08Å; F1371-L1436 HydrophobicContact CZ-CD1 3.99Å
1372K61.1Low71.1Confident172 Ų17253.8 Ų53.875%0.74826%0.262SS*.THydrogen-bonded Turntrans-61.9-35.7178.8-99.4-174176.6-179.90113.2S1370S1370-K1372 PolarHBondContact O-N 3.36Å
1373E61Low71.2Confident172 Ų17249.1 Ų49.180%0.80424%0.24SC*.THydrogen-bonded Turntrans-106.9-22.1-173-69.3174.3-177.900112.5S1370 F1371S1370-E1373 PolarHBondContact O-N 2.91Å; S1370-E1373 VanDerWaalsContact O-N 3.08Å; F1371-E1373 VanDerWaalsContact C-N 3.31Å; F1371-E1373 PolarHBondContact O-N 2.9Å
1374R65.7Low71.3Confident78 Ų7847.2 Ų47.229%0.29423%0.231SC..  trans-122.146.1-168.1-57.4-171.7-175.9178-1114V1367 S1370 A1377 T1378V1367-R1374 HydrophobicContact CG1-CB 4.46Å; S1370-R1374 PolarHBondContact O-N 3.48Å; S1370-R1374 WeakPolarHBondContact OG-CD 3.36Å; R1374-A1377 HydrophobicContact CB-CB 4.25Å; R1374-T1378 PolarHBondContact O-N 3.14Å; R1374-T1378 PolarHBondContact O-OG1 3.21Å
1375R66.9Low71.5Confident100 Ų10047.3 Ų47.338%0.37723%0.231SC..Hα-helixtrans-59.6-49.7-174.2-64.8-176.3-172.2-161.3-0.4113.7F1371 T1378 L1379 D1430F1371-R1375 HydrophobicContact CZ-CG 4.47Å; F1371-R1375 WeakPolarHBondContact O-CG 3.27Å; R1375-T1378 PolarHBondContact O-N 2.86Å; R1375-L1379 PolarHBondContact O-N 3.06Å; R1375-D1430 IonicContact CZ-OD1 3.84Å; R1375-D1430 IonicContact NH1-OD1 3.75Å; R1375-D1430 PolarHBondContact NH1-OD1 2.67Å
1376N68.6Low71.6Confident100 Ų10046.5 Ų46.554%0.53523%0.227SC..Hα-helixtrans-68-42.5-178-70.5-14.5000111.7T1378 L1379 R1380N1376-T1378 VanDerWaalsContact C-N 3.3Å; N1376-T1378 PolarHBondContact O-N 3.28Å; N1376-L1379 PolarHBondContact O-N 3.44Å; N1376-R1380 WeakPolarHBondContact O-CG 3.35Å; N1376-R1380 PolarHBondContact O-N 2.86Å
1377A71.3Confident71.4Confident2 Ų245.5 Ų45.52%0.01722%0.219CC..Hα-helixtrans-56.2-44.917100000111.5E1332 V1367 R1374 L1379 R1380 V1381E1332-A1377 HydrophobicContact CG-CB 3.95Å; E1332-A1377 WeakPolarHBondContact OE1-CB 3.28Å; E1332-A1377 PolarHBondContact OE1-N 2.87Å; V1367-A1377 HydrophobicContact CG1-CB 3.67Å; V1367-A1377 HydrophobicContact CG2-CB 4.34Å; R1374-A1377 HydrophobicContact CB-CB 4.25Å; A1377-L1379 PolarHBondContact O-N 3.17Å; A1377-R1380 PolarHBondContact O-N 3.19Å; A1377-V1381 WeakPolarHBondContact O-CB 3.45Å; A1377-V1381 WeakPolarHBondContact O-CG2 3.37Å; A1377-V1381 PolarHBondContact O-N 2.59Å
1378T74.2Confident71.5Confident0 Ų045.7 Ų45.70%022%0.22CC..Hα-helixtrans-62.6-44.1179.4-490000111.6F1371 R1374 R1375 N1376 V1381 M1382 L1413 L1436F1371-T1378 HydrophobicContact CD2-CG2 3.99Å; F1371-T1378 HydrophobicContact CE2-CG2 4.33Å; R1374-T1378 PolarHBondContact O-N 3.14Å; R1374-T1378 PolarHBondContact O-OG1 3.21Å; R1375-T1378 PolarHBondContact O-N 2.86Å; N1376-T1378 VanDerWaalsContact C-N 3.3Å; N1376-T1378 PolarHBondContact O-N 3.28Å; T1378-V1381 PolarHBondContact O-N 3.32Å; T1378-M1382 WeakPolarHBondContact O-CG 3.44Å; T1378-M1382 PolarHBondContact O-N 3.38Å; T1378-L1413 HydrophobicContact CG2-CD1 3.78Å; T1378-L1413 HydrophobicContact CG2-CD2 3.76Å; T1378-L1413 HydrophobicContact CG2-CG 4.47Å; T1378-L1436 HydrophobicContact CG2-CD2 4.01Å
1379L75Confident71.3Confident26 Ų2646.2 Ų46.214%0.13622%0.223CC..Hα-helixtrans-62.9-44.4177.6-169.6118.9000111.6R1375 N1376 A1377 V1381 M1382 H1383 H1432 L1436R1375-L1379 PolarHBondContact O-N 3.06Å; N1376-L1379 PolarHBondContact O-N 3.44Å; A1377-L1379 PolarHBondContact O-N 3.17Å; L1379-V1381 VanDerWaalsContact C-N 3.34Å; L1379-V1381 PolarHBondContact O-N 3.31Å; L1379-M1382 PolarHBondContact O-N 2.69Å; L1379-H1383 PolarHBondContact O-CD2 3.46Å; L1379-H1383 PolarHBondContact O-N 2.8Å; L1379-H1432 HydrophobicContact CD1-CB 4.22Å; L1379-L1436 HydrophobicContact CB-CD1 4.37Å; L1379-L1436 HydrophobicContact CD1-CD1 3.86Å; L1379-L1436 HydrophobicContact CD1-CG 4.15Å
1380R72.9Confident71.2Confident73 Ų7348.6 Ų48.628%0.27523%0.226SC..Hα-helixtrans-63.6-38.4176-69.6-179.1-175.1-166.65112.4E1332 V1335 L1336 N1376 A1377 H1383 L1384E1332-R1380 PolarHBondContact O-NH1 3.15Å; V1335-R1380 HydrophobicContact CG1-CB 3.86Å; L1336-R1380 HydrophobicContact CD1-CG 4.47Å; N1376-R1380 WeakPolarHBondContact O-CG 3.35Å; N1376-R1380 PolarHBondContact O-N 2.86Å; A1377-R1380 PolarHBondContact O-N 3.19Å; R1380-H1383 PolarHBondContact O-N 3.49Å; R1380-L1384 PolarHBondContact O-N 3.49Å
1381V79.9Confident71Confident1 Ų148.2 Ų48.21%0.00622%0.221CC..Hα-helixtrans-64.5-41.8173.81680000111.1V1335 F1364 V1367 A1377 T1378 L1379 L1384 F1385V1335-V1381 HydrophobicContact CG1-CG2 4.31Å; F1364-V1381 HydrophobicContact CD1-CB 4.47Å; F1364-V1381 HydrophobicContact CD1-CG1 3.63Å; F1364-V1381 HydrophobicContact CD1-CG2 3.98Å; F1364-V1381 HydrophobicContact CE1-CB 4.43Å; F1364-V1381 HydrophobicContact CE1-CG1 3.87Å; F1364-V1381 HydrophobicContact CE1-CG2 3.89Å; V1367-V1381 HydrophobicContact CG1-CG2 4.24Å; A1377-V1381 WeakPolarHBondContact O-CB 3.45Å; A1377-V1381 WeakPolarHBondContact O-CG2 3.37Å; A1377-V1381 PolarHBondContact O-N 2.59Å; T1378-V1381 PolarHBondContact O-N 3.32Å; L1379-V1381 VanDerWaalsContact C-N 3.34Å; L1379-V1381 PolarHBondContact O-N 3.31Å; V1381-L1384 WeakPolarHBondContact O-CB 3.25Å; V1381-L1384 PolarHBondContact O-N 3.35Å; V1381-F1385 HydrophobicContact CG1-CD1 4.42Å; V1381-F1385 HydrophobicContact CG1-CD2 4.22Å; V1381-F1385 HydrophobicContact CG1-CE1 4.05Å; V1381-F1385 HydrophobicContact CG1-CE2 3.81Å; V1381-F1385 HydrophobicContact CG1-CZ 3.73Å; V1381-F1385 WeakPolarHBondContact O-CG 3.5Å; V1381-F1385 PolarHBondContact O-N 3.48Å
1382M77.4Confident71Confident0 Ų050.8 Ų50.80%023%0.233CC..Hα-helixtrans-64.8-38.7175.5-69.8-59.998.400112.3T1378 L1379 L1384 F1385 D1386 L1413 L1436 L1439T1378-M1382 WeakPolarHBondContact O-CG 3.44Å; T1378-M1382 PolarHBondContact O-N 3.38Å; L1379-M1382 PolarHBondContact O-N 2.69Å; M1382-L1384 VanDerWaalsContact C-N 3.35Å; M1382-F1385 HydrophobicContact CE-CD2 3.33Å; M1382-F1385 HydrophobicContact CE-CE2 3.67Å; M1382-F1385 HydrophobicContact CE-CG 4.28Å; M1382-F1385 PolarHBondContact O-N 3.49Å; M1382-F1385 HydrophobicContact SD-CD2 4.43Å; M1382-D1386 WeakPolarHBondContact O-CB 3.44Å; M1382-D1386 PolarHBondContact O-N 2.78Å; M1382-L1413 HydrophobicContact CE-CD2 4.01Å; M1382-L1413 HydrophobicContact CG-CD2 3.96Å; M1382-L1413 HydrophobicContact SD-CD2 3.62Å; M1382-L1436 HydrophobicContact CG-CD2 4.14Å; M1382-L1439 HydrophobicContact CB-CB 4.28Å; M1382-L1439 HydrophobicContact CB-CD1 4.28Å
1383H76.2Confident70.6Confident65 Ų6547.7 Ų47.730%0.30123%0.231SC..Hα-helixtrans-63.7-38.9172.4-75.1-60.7000112.6L1379 R1380 F1385 A1387 H1435L1379-H1383 PolarHBondContact O-CD2 3.46Å; L1379-H1383 PolarHBondContact O-N 2.8Å; R1380-H1383 PolarHBondContact O-N 3.49Å; H1383-F1385 VanDerWaalsContact C-N 3.33Å; H1383-A1387 VanDerWaalsContact O-CB 3.28Å; H1383-A1387 WeakPolarHBondContact O-CB 3.28Å; H1383-A1387 PolarHBondContact O-N 3.36Å; H1383-H1435 AromaticContact CE1-NE2 3.56Å
1384L78.1Confident70.2Confident1 Ų149 Ų491%0.00523%0.228CC..Hα-helixtrans-62.5-41.9172.3-17968.2000111.1V1335 F1338 I1353 V1357 F1364 R1380 V1381 M1382 F1388V1335-L1384 HydrophobicContact CG1-CB 4.33Å; V1335-L1384 HydrophobicContact CG1-CD2 4.39Å; F1338-L1384 HydrophobicContact CB-CD1 3.97Å; I1353-L1384 HydrophobicContact CG2-CD1 4.17Å; V1357-L1384 HydrophobicContact CG2-CD2 4.41Å; F1364-L1384 HydrophobicContact CE1-CD2 3.95Å; F1364-L1384 HydrophobicContact CZ-CD2 3.79Å; R1380-L1384 PolarHBondContact O-N 3.49Å; V1381-L1384 WeakPolarHBondContact O-CB 3.25Å; V1381-L1384 PolarHBondContact O-N 3.35Å; M1382-L1384 VanDerWaalsContact C-N 3.35Å; L1384-F1388 WeakPolarHBondContact O-CB 3.3Å; L1384-F1388 PolarHBondContact O-N 3.48Å
1385F79.4Confident69.1Low1 Ų149.6 Ų49.60%0.00424%0.244CC..Hα-helixtrans-69-39.3179.5-74.2-0.7000113.2F1364 V1381 M1382 H1383 F1388 T1389 M1406 C1409 V1443F1364-F1385 AromaticContact CD1-CE1 3.91Å; F1364-F1385 HydrophobicContact CD1-CE1 3.91Å; F1364-F1385 AromaticContact CD1-CZ 3.82Å; F1364-F1385 HydrophobicContact CD1-CZ 3.82Å; F1364-F1385 AromaticContact CE1-CE1 3.92Å; F1364-F1385 HydrophobicContact CE1-CE1 3.92Å; F1364-F1385 HydrophobicContact CE1-CZ 4.3Å; V1381-F1385 HydrophobicContact CG1-CD1 4.42Å; V1381-F1385 HydrophobicContact CG1-CD2 4.22Å; V1381-F1385 HydrophobicContact CG1-CE1 4.05Å; V1381-F1385 HydrophobicContact CG1-CE2 3.81Å; V1381-F1385 HydrophobicContact CG1-CZ 3.73Å; V1381-F1385 WeakPolarHBondContact O-CG 3.5Å; V1381-F1385 PolarHBondContact O-N 3.48Å; M1382-F1385 HydrophobicContact CE-CD2 3.33Å; M1382-F1385 HydrophobicContact CE-CE2 3.67Å; M1382-F1385 HydrophobicContact CE-CG 4.28Å; M1382-F1385 PolarHBondContact O-N 3.49Å; M1382-F1385 HydrophobicContact SD-CD2 4.43Å; H1383-F1385 VanDerWaalsContact C-N 3.33Å; F1385-F1388 PolarHBondContact O-N 3.02Å; F1385-T1389 WeakPolarHBondContact O-CB 3.48Å; F1385-T1389 WeakPolarHBondContact O-CG2 3.43Å; F1385-T1389 PolarHBondContact O-N 3.08Å; F1385-T1389 PolarHBondContact O-OG1 3.49Å; F1385-M1406 HydrophobicContact CB-CE 3.53Å; F1385-M1406 HydrophobicContact CD1-CE 3.8Å; F1385-M1406 HydrophobicContact CD1-CG 3.93Å; F1385-M1406 HydrophobicContact CD1-SD 4.29Å; F1385-M1406 HydrophobicContact CD2-CB 4.44Å; F1385-M1406 HydrophobicContact CD2-CE 4.36Å; F1385-M1406 HydrophobicContact CD2-CG 4.26Å; F1385-M1406 HydrophobicContact CE1-CG 3.84Å; F1385-M1406 HydrophobicContact CE2-CB 4.43Å; F1385-M1406 HydrophobicContact CE2-CG 4.2Å; F1385-M1406 HydrophobicContact CG-CE 3.65Å; F1385-M1406 HydrophobicContact CG-CG 4.15Å; F1385-M1406 HydrophobicContact CZ-CG 3.99Å; F1385-M1406 WeakPolarHBondContact O-CE 3.48Å; F1385-C1409 HydrophobicContact CE2-CB 3.88Å; F1385-C1409 HydrophobicContact CZ-CB 4.49Å; F1385-V1443 HydrophobicContact CB-CG2 4.4Å
1386D75.1Confident67.8Low27 Ų2750.1 Ų50.114%0.14426%0.263CS..Hα-helixtrans-64.9-47.2174.7-164.839.1000110.3M1382 F1388 T1389 E1390 L1439 S1442 V1443 R1446M1382-D1386 WeakPolarHBondContact O-CB 3.44Å; M1382-D1386 PolarHBondContact O-N 2.78Å; D1386-F1388 PolarHBondContact O-N 3.41Å; D1386-T1389 PolarHBondContact O-N 2.98Å; D1386-T1389 PolarHBondContact O-OG1 3.37Å; D1386-T1389 VanDerWaalsContact O-OG1 3.11Å; D1386-E1390 WeakPolarHBondContact O-CG 3.49Å; D1386-E1390 PolarHBondContact O-N 2.88Å; D1386-E1390 VanDerWaalsContact O-N 3.17Å; D1386-L1439 HydrophobicContact CB-CD2 4.23Å; D1386-L1439 WeakPolarHBondContact OD2-CD2 3.47Å; D1386-S1442 PolarHBondContact OD1-OG 2.83Å; D1386-V1443 HydrophobicContact CB-CG2 4.04Å; D1386-R1446 PolarHBondContact O-NH1 3.19Å; D1386-R1446 IonicContact OD1-CZ 3.15Å; D1386-R1446 IonicContact OD1-NH1 3.06Å; D1386-R1446 IonicContact OD1-NH2 3.43Å
1387A70.8Confident66.2Low16 Ų1651.6 Ų51.613%0.13228%0.275CS..Hα-helixtrans-62.3-40.7174.700000112.3A1342 H1383 E1390 L1391A1342-A1387 HydrophobicContact CB-CB 3.84Å; H1383-A1387 VanDerWaalsContact O-CB 3.28Å; H1383-A1387 WeakPolarHBondContact O-CB 3.28Å; H1383-A1387 PolarHBondContact O-N 3.36Å; A1387-E1390 PolarHBondContact O-N 2.96Å; A1387-L1391 WeakPolarHBondContact O-CG 3.3Å; A1387-L1391 PolarHBondContact O-N 3.03Å
1388F74.5Confident64.7Low6 Ų658.3 Ų58.33%0.02631%0.31CS..Hα-helixtrans-68.1-40.8179.3-171.3-98000112.4V1350 I1353 L1384 F1385 D1386 E1390 L1391 E1392 P1402 M1406V1350-F1388 HydrophobicContact CG1-CE2 3.92Å; V1350-F1388 HydrophobicContact CG1-CZ 4.28Å; I1353-F1388 HydrophobicContact CB-CD2 4.11Å; I1353-F1388 HydrophobicContact CB-CE2 4.15Å; I1353-F1388 HydrophobicContact CD1-CD2 4.37Å; I1353-F1388 HydrophobicContact CG2-CD2 3.49Å; I1353-F1388 VanDerWaalsContact CG2-CD2 3.49Å; I1353-F1388 HydrophobicContact CG2-CE2 3.82Å; I1353-F1388 HydrophobicContact CG2-CG 4.42Å; L1384-F1388 WeakPolarHBondContact O-CB 3.3Å; L1384-F1388 PolarHBondContact O-N 3.48Å; F1385-F1388 PolarHBondContact O-N 3.02Å; D1386-F1388 PolarHBondContact O-N 3.41Å; F1388-E1390 PolarHBondContact O-N 3.28Å; F1388-L1391 PolarHBondContact O-N 3.44Å; F1388-L1391 VanDerWaalsContact O-N 3.11Å; F1388-E1392 PolarHBondContact O-N 3.31Å; F1388-P1402 HydrophobicContact CE1-CB 4.36Å; F1388-P1402 HydrophobicContact CE1-CG 4.22Å; F1388-P1402 HydrophobicContact CZ-CG 4.24Å; F1388-M1406 HydrophobicContact CB-CE 4.38Å; F1388-M1406 HydrophobicContact CD1-CE 4.04Å; F1388-M1406 HydrophobicContact CD1-SD 3.53Å; F1388-M1406 VanDerWaalsContact CD1-SD 3.53Å; F1388-M1406 HydrophobicContact CE1-SD 4.04Å; F1388-M1406 HydrophobicContact CG-SD 4.46Å
1389T68.2Low63.4Low13 Ų1366.4 Ų66.48%0.0835%0.353CS..Hα-helixtrans-70.7-17.217747.60000113.5F1385 D1386 M1406 V1443 R1446 F1447F1385-T1389 WeakPolarHBondContact O-CB 3.48Å; F1385-T1389 WeakPolarHBondContact O-CG2 3.43Å; F1385-T1389 PolarHBondContact O-N 3.08Å; F1385-T1389 PolarHBondContact O-OG1 3.49Å; D1386-T1389 PolarHBondContact O-N 2.98Å; D1386-T1389 PolarHBondContact O-OG1 3.37Å; D1386-T1389 VanDerWaalsContact O-OG1 3.11Å; T1389-M1406 HydrophobicContact CG2-CE 3.52Å; T1389-V1443 HydrophobicContact CG2-CG1 4.44Å; T1389-R1446 WeakPolarHBondContact OG1-CD 3.38Å; T1389-R1446 PolarHBondContact OG1-NH1 3.18Å; T1389-F1447 HydrophobicContact CG2-CZ 4.31Å
1390E66.8Low62.2Low127 Ų12770.9 Ų70.959%0.59337%0.372SS*.Hα-helixtrans-73.3-31.1169.3-72.3-167.5163.500112D1386 A1387 F1388 R1446D1386-E1390 WeakPolarHBondContact O-CG 3.49Å; D1386-E1390 PolarHBondContact O-N 2.88Å; D1386-E1390 VanDerWaalsContact O-N 3.17Å; A1387-E1390 PolarHBondContact O-N 2.96Å; F1388-E1390 PolarHBondContact O-N 3.28Å; E1390-R1446 IonicContact OE1-NH2 2.62Å; E1390-R1446 PolarHBondContact OE1-NH2 2.76Å
1391L64.1Low61.6Low24 Ų2471.3 Ų71.313%0.12638%0.38CS..Hα-helixtrans-84.6-29.8-171.4-64.2172.7000113.6A1342 Q1347 V1350 A1387 F1388A1342-L1391 HydrophobicContact CB-CD1 4.12Å; Q1347-L1391 PolarHBondContact NE2-O 2.95Å; V1350-L1391 HydrophobicContact CG2-CB 3.89Å; V1350-L1391 HydrophobicContact CG2-CD1 4.13Å; A1387-L1391 WeakPolarHBondContact O-CG 3.3Å; A1387-L1391 PolarHBondContact O-N 3.03Å; F1388-L1391 PolarHBondContact O-N 3.44Å; F1388-L1391 VanDerWaalsContact O-N 3.11Å
1392E62.9Low60.8Low63 Ų6372.3 Ų72.329%0.29439%0.386SS..  trans-125.295.8175.4-81.2-168.4147.500112V1350 F1388V1350-E1392 HydrophobicContact CG1-CG 4.14Å; F1388-E1392 PolarHBondContact O-N 3.31Å
1393P53.2Low60.2Low107 Ų10774.5 Ų74.570%0.69540%0.397SS*.SBendtrans-79.7-20.5179-3.116.4000114.5
1394R52.3Low59.9Low199 Ų19974.3 Ų74.375%0.75140%0.403SS*.  trans-163.7112.6-173-61.1-176.6178.9169.8-4.4111.3
1395C42.4Very low59.7Low91 Ų9174.6 Ų74.662%0.61540%0.404SS*.  trans-147.3143.2165.9-100.60000112.3
1396S41.5Very low59.5Low111 Ų11174.6 Ų74.678%0.77640%0.404SS*.  trans-73.2148.8-16846.30000114.4D1398S1396-D1398 PolarHBondContact O-N 2.66Å; S1396-D1398 VanDerWaalsContact O-N 3.16Å
1397V33.5Very low59.4Low130 Ų13074.3 Ų74.379%0.78840%0.404SS*.  trans-37.5108.3165.6-177.30000111.8
1398D39.8Very low59.7Low144 Ų14476.9 Ų76.977%0.7742%0.416SS*.SBendtrans-166.7121146.3-84.1-28.5000111.1S1396 F1400S1396-D1398 PolarHBondContact O-N 2.66Å; S1396-D1398 VanDerWaalsContact O-N 3.16Å; D1398-F1400 PolarHBondContact O-N 2.77Å
1399D46.8Very low59.8Low169 Ų16976.6 Ų76.690%0.90441%0.414SS*.SBendtrans61.1-23.5162.8-68.4-15.4000125.8
1400F51.2Low60.2Low120 Ų12076 Ų7653%0.52641%0.411SS..  trans-157.3111.4164.6-155-95.3000110.4A1358 D1398 P1402A1358-F1400 HydrophobicContact CB-CD1 4.27Å; A1358-F1400 HydrophobicContact CB-CE1 3.79Å; A1358-F1400 HydrophobicContact CB-CZ 4.41Å; D1398-F1400 PolarHBondContact O-N 2.77Å; F1400-P1402 WeakPolarHBondContact O-CD 3.28Å
1401D59.9Low60.6Low82 Ų8271.1 Ų71.144%0.43939%0.39SS..  trans-103.692.1-170.3-158.21.3000110.8Q1403 S1404D1401-Q1403 PolarHBondContact O-N 3.3Å; D1401-Q1403 VanDerWaalsContact O-N 3.12Å; D1401-Q1403 WeakPolarHBondContact OD1-CB 3.36Å; D1401-S1404 WeakPolarHBondContact O-CB 3.4Å; D1401-S1404 PolarHBondContact O-N 3.24Å; D1401-S1404 PolarHBondContact O-OG 3.02Å
1402P62.4Low61.2Low22 Ų2275.1 Ų75.114%0.14341%0.407CS..Hα-helixtrans-56.1-26.9177.622.6-32.6000111.7F1388 F1400 S1404 L1405 M1406F1388-P1402 HydrophobicContact CE1-CB 4.36Å; F1388-P1402 HydrophobicContact CE1-CG 4.22Å; F1388-P1402 HydrophobicContact CZ-CG 4.24Å; F1400-P1402 WeakPolarHBondContact O-CD 3.28Å; P1402-S1404 VanDerWaalsContact C-N 3.3Å; P1402-S1404 PolarHBondContact O-N 2.97Å; P1402-L1405 PolarHBondContact O-N 3.35Å; P1402-M1406 VanDerWaalsContact O-CG 3.25Å; P1402-M1406 WeakPolarHBondContact O-CG 3.39Å; P1402-M1406 PolarHBondContact O-N 3.19Å
1403Q65.8Low62Low46 Ų4672.1 Ų72.122%0.21539%0.393CS..Hα-helixtrans-60.5-37.1174.3-63.3-166.4-2.300112.6D1401 M1406 C1407 F1447D1401-Q1403 PolarHBondContact O-N 3.3Å; D1401-Q1403 VanDerWaalsContact O-N 3.12Å; D1401-Q1403 WeakPolarHBondContact OD1-CB 3.36Å; Q1403-M1406 PolarHBondContact O-N 3.39Å; Q1403-C1407 VanDerWaalsContact O-CB 3.31Å; Q1403-C1407 WeakPolarHBondContact O-CB 3.41Å; Q1403-C1407 PolarHBondContact O-N 3.33Å; Q1403-F1447 HydrophobicContact CB-CE1 3.89Å; Q1403-F1447 HydrophobicContact CG-CE1 4.41Å
1404S68.8Low63Low61 Ų6167 Ų6743%0.42736%0.36SS..Hα-helixtrans-65.4-41.7176.874.90000112.3D1401 P1402 C1407 D1408D1401-S1404 WeakPolarHBondContact O-CB 3.4Å; D1401-S1404 PolarHBondContact O-N 3.24Å; D1401-S1404 PolarHBondContact O-OG 3.02Å; P1402-S1404 VanDerWaalsContact C-N 3.3Å; P1402-S1404 PolarHBondContact O-N 2.97Å; S1404-C1407 PolarHBondContact O-N 2.69Å; S1404-D1408 PolarHBondContact O-N 3.03Å
1405L74.8Confident64.1Low7 Ų758.1 Ų58.14%0.03733%0.327CS..Hα-helixtrans-65.8-43.3176.9-178.666.4000110.9V1357 R1361 L1365 P1402 D1408 C1409V1357-L1405 HydrophobicContact CG1-CD2 4.02Å; R1361-L1405 HydrophobicContact CB-CD2 4.23Å; R1361-L1405 HydrophobicContact CG-CD1 3.75Å; R1361-L1405 HydrophobicContact CG-CD2 3.88Å; R1361-L1405 HydrophobicContact CG-CG 4.48Å; L1365-L1405 HydrophobicContact CD1-CD1 3.83Å; L1365-L1405 HydrophobicContact CD2-CD1 4.15Å; L1365-L1405 HydrophobicContact CG-CD1 3.82Å; P1402-L1405 PolarHBondContact O-N 3.35Å; L1405-D1408 PolarHBondContact O-N 3.43Å; L1405-C1409 WeakPolarHBondContact O-CB 3.3Å; L1405-C1409 PolarHBondContact O-N 3.48Å; L1405-C1409 PolarHBondContact O-SG 3.25Å
1406M74.7Confident65.7Low1 Ų154.9 Ų54.91%0.00531%0.305CS..Hα-helixtrans-62.6-45.1177.3-69.117367.500111.6F1385 F1388 T1389 P1402 Q1403 C1409 C1410 F1447F1385-M1406 HydrophobicContact CB-CE 3.53Å; F1385-M1406 HydrophobicContact CD1-CE 3.8Å; F1385-M1406 HydrophobicContact CD1-CG 3.93Å; F1385-M1406 HydrophobicContact CD1-SD 4.29Å; F1385-M1406 HydrophobicContact CD2-CB 4.44Å; F1385-M1406 HydrophobicContact CD2-CE 4.36Å; F1385-M1406 HydrophobicContact CD2-CG 4.26Å; F1385-M1406 HydrophobicContact CE1-CG 3.84Å; F1385-M1406 HydrophobicContact CE2-CB 4.43Å; F1385-M1406 HydrophobicContact CE2-CG 4.2Å; F1385-M1406 HydrophobicContact CG-CE 3.65Å; F1385-M1406 HydrophobicContact CG-CG 4.15Å; F1385-M1406 HydrophobicContact CZ-CG 3.99Å; F1385-M1406 WeakPolarHBondContact O-CE 3.48Å; F1388-M1406 HydrophobicContact CB-CE 4.38Å; F1388-M1406 HydrophobicContact CD1-CE 4.04Å; F1388-M1406 HydrophobicContact CD1-SD 3.53Å; F1388-M1406 VanDerWaalsContact CD1-SD 3.53Å; F1388-M1406 HydrophobicContact CE1-SD 4.04Å; F1388-M1406 HydrophobicContact CG-SD 4.46Å; T1389-M1406 HydrophobicContact CG2-CE 3.52Å; P1402-M1406 VanDerWaalsContact O-CG 3.25Å; P1402-M1406 WeakPolarHBondContact O-CG 3.39Å; P1402-M1406 PolarHBondContact O-N 3.19Å; Q1403-M1406 PolarHBondContact O-N 3.39Å; M1406-C1409 PolarHBondContact O-N 2.89Å; M1406-C1410 WeakPolarHBondContact O-CB 3.34Å; M1406-C1410 PolarHBondContact O-N 3.22Å; M1406-C1410 PolarHBondContact O-SG 3.11Å; M1406-F1447 HydrophobicContact CB-CE2 4.49Å; M1406-F1447 HydrophobicContact CB-CZ 4.01Å
1407C74.2Confident67.3Low21 Ų2149.6 Ų49.614%0.14227%0.268CS..Hα-helixtrans-60.1-46.8176.5-173.90000111.5Q1403 S1404 C1410 C1411 F1447 M1469Q1403-C1407 VanDerWaalsContact O-CB 3.31Å; Q1403-C1407 WeakPolarHBondContact O-CB 3.41Å; Q1403-C1407 PolarHBondContact O-N 3.33Å; S1404-C1407 PolarHBondContact O-N 2.69Å; C1407-C1410 PolarHBondContact O-N 3.47Å; C1407-C1411 WeakPolarHBondContact O-CB 3.34Å; C1407-C1411 PolarHBondContact O-N 3.06Å; C1407-C1411 PolarHBondContact O-SG 3.48Å; C1407-F1447 HydrophobicContact CB-CD2 4.34Å; C1407-F1447 HydrophobicContact CB-CE2 4.29Å; C1407-F1447 HydrophobicContact CB-CG 4.46Å; C1407-F1447 HydrophobicContact CB-CZ 4.38Å; C1407-M1469 VanDerWaalsContact SG-SD 3.67Å
1408D75.6Confident69.1Low71 Ų7143.6 Ų43.638%0.3823%0.231SC..Hα-helixtrans-63.2-42.9177.5-81.8-6000112.2S1404 L1405 K1412S1404-D1408 PolarHBondContact O-N 3.03Å; L1405-D1408 PolarHBondContact O-N 3.43Å; D1408-K1412 WeakPolarHBondContact O-CB 3.15Å; D1408-K1412 WeakPolarHBondContact O-CG 3.42Å; D1408-K1412 PolarHBondContact O-N 2.85Å
1409C76.8Confident70.6Confident0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-61.7-46175.3-77.40000111.5C1368 F1385 L1405 M1406 L1413C1368-C1409 HydrophobicContact CB-CB 4.27Å; F1385-C1409 HydrophobicContact CE2-CB 3.88Å; F1385-C1409 HydrophobicContact CZ-CB 4.49Å; L1405-C1409 WeakPolarHBondContact O-CB 3.3Å; L1405-C1409 PolarHBondContact O-N 3.48Å; L1405-C1409 PolarHBondContact O-SG 3.25Å; M1406-C1409 PolarHBondContact O-N 2.89Å; C1409-L1413 VanDerWaalsContact O-CB 3.29Å; C1409-L1413 WeakPolarHBondContact O-CB 3.35Å; C1409-L1413 PolarHBondContact O-N 3.13Å
1410C77.4Confident71.7Confident0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-68.3-41.4180-65.40000111.8M1406 C1407 K1412 L1413 A1414 L1440 V1443 L1444M1406-C1410 WeakPolarHBondContact O-CB 3.34Å; M1406-C1410 PolarHBondContact O-N 3.22Å; M1406-C1410 PolarHBondContact O-SG 3.11Å; C1407-C1410 PolarHBondContact O-N 3.47Å; C1410-K1412 PolarHBondContact O-N 2.84Å; C1410-L1413 PolarHBondContact O-N 3.45Å; C1410-A1414 WeakPolarHBondContact O-CB 3.07Å; C1410-A1414 PolarHBondContact O-N 3.07Å; C1410-L1440 WeakPolarHBondContact O-CD1 3.19Å; C1410-V1443 VanDerWaalsContact SG-CG1 3.56Å; C1410-L1444 HydrophobicContact CB-CD2 3.62Å; C1410-L1444 HydrophobicContact CB-CG 4Å
1411C75.7Confident72.5Confident25 Ų2529.2 Ų29.217%0.16915%0.152CC..Hα-helixtrans-63.6-43.1176.7-69.50000111.7C1407 A1414 V1415C1407-C1411 WeakPolarHBondContact O-CB 3.34Å; C1407-C1411 PolarHBondContact O-N 3.06Å; C1407-C1411 PolarHBondContact O-SG 3.48Å; C1411-A1414 WeakPolarHBondContact O-CB 3.48Å; C1411-A1414 PolarHBondContact O-N 3.36Å; C1411-V1415 WeakPolarHBondContact O-CG2 3.41Å; C1411-V1415 PolarHBondContact O-N 3.37Å; C1411-V1415 VanDerWaalsContact O-N 3.14Å
1412K76.2Confident72.6Confident108 Ų10826.9 Ų26.947%0.4714%0.144SC..Hα-helixtrans-64.3-43.4175-74.9176.1-179.41730111.9D1408 C1410 A1414 V1415 V1416D1408-K1412 WeakPolarHBondContact O-CB 3.15Å; D1408-K1412 WeakPolarHBondContact O-CG 3.42Å; D1408-K1412 PolarHBondContact O-N 2.85Å; C1410-K1412 PolarHBondContact O-N 2.84Å; K1412-A1414 VanDerWaalsContact C-N 3.28Å; K1412-A1414 PolarHBondContact O-N 3.15Å; K1412-V1415 PolarHBondContact O-N 3.49Å; K1412-V1416 WeakPolarHBondContact O-CG2 3.28Å; K1412-V1416 PolarHBondContact O-N 3.49Å; K1412-V1416 VanDerWaalsContact O-N 3.08Å
1413L78.4Confident72.7Confident0 Ų030.2 Ų30.20%016%0.156CC..Hα-helixtrans-62.9-36.8175.9-173.565.4000111.1F1371 T1378 M1382 C1409 C1410 V1415 V1416 L1417 L1436 L1440F1371-L1413 HydrophobicContact CD2-CD1 4.08Å; F1371-L1413 HydrophobicContact CG-CD1 4.48Å; T1378-L1413 HydrophobicContact CG2-CD1 3.78Å; T1378-L1413 HydrophobicContact CG2-CD2 3.76Å; T1378-L1413 HydrophobicContact CG2-CG 4.47Å; M1382-L1413 HydrophobicContact CE-CD2 4.01Å; M1382-L1413 HydrophobicContact CG-CD2 3.96Å; M1382-L1413 HydrophobicContact SD-CD2 3.62Å; C1409-L1413 VanDerWaalsContact O-CB 3.29Å; C1409-L1413 WeakPolarHBondContact O-CB 3.35Å; C1409-L1413 PolarHBondContact O-N 3.13Å; C1410-L1413 PolarHBondContact O-N 3.45Å; L1413-V1415 PolarHBondContact O-N 2.73Å; L1413-V1416 PolarHBondContact O-N 2.99Å; L1413-L1417 HydrophobicContact CD1-CD1 4.44Å; L1413-L1417 HydrophobicContact CD1-CG 4.25Å; L1413-L1417 HydrophobicContact CD2-CD1 4.43Å; L1413-L1417 HydrophobicContact CG-CD1 3.96Å; L1413-L1417 HydrophobicContact CG-CG 4.19Å; L1413-L1417 WeakPolarHBondContact O-CB 3.48Å; L1413-L1417 VanDerWaalsContact O-CG 3.3Å; L1413-L1417 WeakPolarHBondContact O-CG 3.39Å; L1413-L1417 PolarHBondContact O-N 3.39Å; L1413-L1436 HydrophobicContact CD2-CD2 3.98Å; L1413-L1440 HydrophobicContact CB-CD1 3.63Å; L1413-L1440 HydrophobicContact CD2-CD1 3.7Å; L1413-L1440 HydrophobicContact CG-CD1 3.64Å
1414A75.9Confident72.2Confident0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-60.6-47.7177.100000110.8C1410 C1411 K1412 V1416 L1417 L1418 L1440 L1444 L1488C1410-A1414 WeakPolarHBondContact O-CB 3.07Å; C1410-A1414 PolarHBondContact O-N 3.07Å; C1411-A1414 WeakPolarHBondContact O-CB 3.48Å; C1411-A1414 PolarHBondContact O-N 3.36Å; K1412-A1414 VanDerWaalsContact C-N 3.28Å; K1412-A1414 PolarHBondContact O-N 3.15Å; A1414-V1416 VanDerWaalsContact C-N 3.34Å; A1414-V1416 PolarHBondContact O-N 3.06Å; A1414-L1417 PolarHBondContact O-N 3.36Å; A1414-L1418 VanDerWaalsContact O-CB 3.25Å; A1414-L1418 WeakPolarHBondContact O-CB 3.33Å; A1414-L1418 WeakPolarHBondContact O-CD1 3.45Å; A1414-L1418 WeakPolarHBondContact O-CG 3.48Å; A1414-L1418 PolarHBondContact O-N 3.14Å; A1414-L1440 HydrophobicContact CB-CD1 4.15Å; A1414-L1440 HydrophobicContact CB-CD2 3.71Å; A1414-L1440 HydrophobicContact CB-CG 4.43Å; A1414-L1444 HydrophobicContact CB-CD1 4.23Å; A1414-L1488 HydrophobicContact CB-CD1 4.33Å
1415V75.3Confident71.5Confident11 Ų1133.3 Ų33.37%0.06719%0.19CC..Hα-helixtrans-61.3-42.9176.8179.20000111C1411 K1412 L1413 W1419 L1484 L1488C1411-V1415 WeakPolarHBondContact O-CG2 3.41Å; C1411-V1415 PolarHBondContact O-N 3.37Å; C1411-V1415 VanDerWaalsContact O-N 3.14Å; K1412-V1415 PolarHBondContact O-N 3.49Å; L1413-V1415 PolarHBondContact O-N 2.73Å; V1415-W1419 VanDerWaalsContact O-CB 3.29Å; V1415-W1419 WeakPolarHBondContact O-CB 3.25Å; V1415-W1419 PolarHBondContact O-N 3.36Å; V1415-L1484 HydrophobicContact CB-CD2 4.5Å; V1415-L1484 HydrophobicContact CG1-CD2 3.7Å; V1415-L1488 HydrophobicContact CG2-CB 4.44Å; V1415-L1488 HydrophobicContact CG2-CD1 4.36Å
1416V75Confident70.5Confident24 Ų2435.1 Ų35.115%0.14520%0.199CC..Hα-helixtrans-64.5-43.5178.5172.90000111.9F1371 K1412 L1413 A1414 K1420 L1484F1371-V1416 HydrophobicContact CB-CG1 3.87Å; F1371-V1416 HydrophobicContact CD1-CG1 4.5Å; F1371-V1416 HydrophobicContact CG-CG1 4.47Å; K1412-V1416 WeakPolarHBondContact O-CG2 3.28Å; K1412-V1416 PolarHBondContact O-N 3.49Å; K1412-V1416 VanDerWaalsContact O-N 3.08Å; L1413-V1416 PolarHBondContact O-N 2.99Å; A1414-V1416 VanDerWaalsContact C-N 3.34Å; A1414-V1416 PolarHBondContact O-N 3.06Å; V1416-K1420 PolarHBondContact O-N 2.96Å; V1416-K1420 VanDerWaalsContact O-N 3.12Å; V1416-L1484 HydrophobicContact CG2-CD2 4.1Å
1417L74.4Confident69.5Low0 Ų039.1 Ų39.10%022%0.224CC..Hα-helixtrans-70-42.1179.1-68.7177.4000111.9F1371 L1413 A1414 K1420 L1421 L1436 L1437 L1440F1371-L1417 HydrophobicContact CD1-CD2 4.2Å; F1371-L1417 HydrophobicContact CE1-CD2 3.74Å; F1371-L1417 HydrophobicContact CE2-CD2 4.18Å; F1371-L1417 HydrophobicContact CZ-CD2 3.73Å; L1413-L1417 HydrophobicContact CD1-CD1 4.44Å; L1413-L1417 HydrophobicContact CD1-CG 4.25Å; L1413-L1417 HydrophobicContact CD2-CD1 4.43Å; L1413-L1417 HydrophobicContact CG-CD1 3.96Å; L1413-L1417 HydrophobicContact CG-CG 4.19Å; L1413-L1417 WeakPolarHBondContact O-CB 3.48Å; L1413-L1417 VanDerWaalsContact O-CG 3.3Å; L1413-L1417 WeakPolarHBondContact O-CG 3.39Å; L1413-L1417 PolarHBondContact O-N 3.39Å; A1414-L1417 PolarHBondContact O-N 3.36Å; L1417-K1420 WeakPolarHBondContact O-CB 3.45Å; L1417-K1420 PolarHBondContact O-N 3.09Å; L1417-K1420 VanDerWaalsContact O-N 3.14Å; L1417-L1421 PolarHBondContact O-N 3.2Å; L1417-L1436 HydrophobicContact CD1-CB 4.4Å; L1417-L1436 HydrophobicContact CD1-CD2 4.36Å; L1417-L1437 HydrophobicContact CB-CD2 3.85Å; L1417-L1437 HydrophobicContact CD1-CD2 3.99Å; L1417-L1437 HydrophobicContact CD1-CG 4.33Å; L1417-L1440 HydrophobicContact CD1-CD1 4.14Å
1418L72Confident68.3Low4 Ų443.9 Ų43.92%0.02126%0.255CS..Hα-helixtrans-63.7-41.5176.7-71.8170.4000111.9A1414 K1420 L1421 A1422 F1478 L1488 Q1492 L1493 C1496A1414-L1418 VanDerWaalsContact O-CB 3.25Å; A1414-L1418 WeakPolarHBondContact O-CB 3.33Å; A1414-L1418 WeakPolarHBondContact O-CD1 3.45Å; A1414-L1418 WeakPolarHBondContact O-CG 3.48Å; A1414-L1418 PolarHBondContact O-N 3.14Å; L1418-K1420 VanDerWaalsContact C-N 3.27Å; L1418-K1420 PolarHBondContact O-N 3.13Å; L1418-L1421 HydrophobicContact CD2-CD1 4.47Å; L1418-L1421 PolarHBondContact O-N 3.39Å; L1418-A1422 WeakPolarHBondContact O-CB 3.39Å; L1418-A1422 PolarHBondContact O-N 3.31Å; L1418-F1478 HydrophobicContact CB-CE1 4.31Å; L1418-F1478 HydrophobicContact CB-CZ 4.46Å; L1418-L1488 HydrophobicContact CD1-CD1 3.36Å; L1418-Q1492 HydrophobicContact CD1-CB 4.35Å; L1418-L1493 HydrophobicContact CD1-CD2 4.09Å; L1418-C1496 HydrophobicContact CD2-CB 3.43Å; L1418-C1496 VanDerWaalsContact CD2-CB 3.43Å; L1418-C1496 WeakPolarHBondContact CD2-SG 3.36Å
1419W72.4Confident67.1Low86 Ų8645.1 Ų45.133%0.32627%0.265SS..Hα-helixtrans-61.3-37.7172.8178.780.8000111.9V1415 A1422 K1423 F1478V1415-W1419 VanDerWaalsContact O-CB 3.29Å; V1415-W1419 WeakPolarHBondContact O-CB 3.25Å; V1415-W1419 PolarHBondContact O-N 3.36Å; W1419-A1422 PolarHBondContact O-N 2.83Å; W1419-K1423 HydrophobicContact CH2-CD 4.1Å; W1419-K1423 VanDerWaalsContact CH2-NZ 3.31Å; W1419-K1423 HydrophobicContact CZ2-CD 4.05Å; W1419-K1423 PolarHBondContact O-N 2.94Å; W1419-F1478 HydrophobicContact CB-CD1 4.18Å; W1419-F1478 HydrophobicContact CB-CE1 4.32Å
1420K69.4Low66.1Low35 Ų3545.9 Ų45.915%0.15227%0.269CS..Hα-helixtrans-69.5-42.4178.5-156.6178.3178.6-161.40111.7F1371 V1416 L1417 L1418 A1422 K1423 L1426 L1433F1371-K1420 HydrophobicContact CD1-CD 4.36Å; F1371-K1420 HydrophobicContact CE1-CD 4.09Å; V1416-K1420 PolarHBondContact O-N 2.96Å; V1416-K1420 VanDerWaalsContact O-N 3.12Å; L1417-K1420 WeakPolarHBondContact O-CB 3.45Å; L1417-K1420 PolarHBondContact O-N 3.09Å; L1417-K1420 VanDerWaalsContact O-N 3.14Å; L1418-K1420 VanDerWaalsContact C-N 3.27Å; L1418-K1420 PolarHBondContact O-N 3.13Å; K1420-A1422 VanDerWaalsContact C-N 3.29Å; K1420-A1422 PolarHBondContact O-N 3.45Å; K1420-K1423 PolarHBondContact O-N 3.49Å; K1420-L1426 HydrophobicContact CG-CD2 4.32Å; K1420-L1426 WeakPolarHBondContact O-CD1 3.41Å; K1420-L1433 HydrophobicContact CD-CD1 4.07Å
1421L67.3Low65.3Low10 Ų1050.6 Ų50.65%0.05229%0.294CS..Hα-helixtrans-60.9-36.3173.9-74.7169000112.8L1417 L1418 K1423 L1433 L1437 F1500L1417-L1421 PolarHBondContact O-N 3.2Å; L1418-L1421 HydrophobicContact CD2-CD1 4.47Å; L1418-L1421 PolarHBondContact O-N 3.39Å; L1421-K1423 VanDerWaalsContact C-N 3.27Å; L1421-K1423 PolarHBondContact O-N 2.88Å; L1421-L1433 HydrophobicContact CD2-CD2 3.66Å; L1421-L1433 HydrophobicContact CG-CD2 4.19Å; L1421-L1437 HydrophobicContact CD1-CD1 3.67Å; L1421-L1437 HydrophobicContact CD1-CD2 4.1Å; L1421-L1437 HydrophobicContact CD2-CD1 4.19Å; L1421-L1437 HydrophobicContact CG-CD1 4.25Å; L1421-F1500 HydrophobicContact CD1-CE2 4.25Å
1422A63Low64.9Low32 Ų3254.6 Ų54.626%0.26431%0.31SS..Hα-helixtrans-73-15.3179.100000113.9L1418 W1419 K1420 P1424 F1478L1418-A1422 WeakPolarHBondContact O-CB 3.39Å; L1418-A1422 PolarHBondContact O-N 3.31Å; W1419-A1422 PolarHBondContact O-N 2.83Å; K1420-A1422 VanDerWaalsContact C-N 3.29Å; K1420-A1422 PolarHBondContact O-N 3.45Å; A1422-P1424 WeakPolarHBondContact O-CD 3.38Å; A1422-F1478 HydrophobicContact CB-CD2 3.88Å; A1422-F1478 HydrophobicContact CB-CE2 3.43Å; A1422-F1478 VanDerWaalsContact CB-CE2 3.43Å; A1422-F1478 HydrophobicContact CB-CZ 3.86Å
1423K63.4Low64.6Low93 Ų9349.7 Ų49.740%0.40429%0.289SS..SBendtrans-85.6121.2-178.3-125.4176.8-174.6169.60111W1419 K1420 L1421 G1425 D1481W1419-K1423 HydrophobicContact CH2-CD 4.1Å; W1419-K1423 VanDerWaalsContact CH2-NZ 3.31Å; W1419-K1423 HydrophobicContact CZ2-CD 4.05Å; W1419-K1423 PolarHBondContact O-N 2.94Å; K1420-K1423 PolarHBondContact O-N 3.49Å; L1421-K1423 VanDerWaalsContact C-N 3.27Å; L1421-K1423 PolarHBondContact O-N 2.88Å; K1423-G1425 PolarHBondContact O-N 2.82Å; K1423-D1481 IonicContact NZ-OD1 3.41Å; K1423-D1481 PolarHBondContact NZ-OD1 3.35Å
1424P54.7Low64.4Low110 Ų11049.9 Ų49.971%0.71429%0.29SS*.SBendtrans-69.4118.6175.126.1-30.9000111A1422 L1521A1422-P1424 WeakPolarHBondContact O-CD 3.38Å; P1424-L1521 HydrophobicContact CB-CD1 3.86Å
1425G54.9Low64.4Low62 Ų6253 Ų5364%0.63930%0.304SS*.  trans135.722.8173.800000117.9K1423K1423-G1425 PolarHBondContact O-N 2.82Å
1426L54Low64.5Low45 Ų4552.6 Ų52.624%0.23630%0.302CS..  trans-66.6134.1174.7-74.6108.8000111.9K1420 D1430 L1433 L1521K1420-L1426 HydrophobicContact CG-CD2 4.32Å; K1420-L1426 WeakPolarHBondContact O-CD1 3.41Å; L1426-D1430 HydrophobicContact CD2-CB 4.47Å; L1426-D1430 WeakPolarHBondContact CD2-OD2 3.38Å; L1426-L1433 HydrophobicContact CD2-CD1 3.85Å; L1426-L1521 HydrophobicContact CB-CD2 4.23Å; L1426-L1521 HydrophobicContact CD1-CD2 4.18Å
1427T52.7Low64.6Low85 Ų8551.5 Ų51.552%0.52130%0.295SS..  trans-79.4150.7175.944.40000111.4T1429T1427-T1429 PolarHBondContact O-N 2.98Å
1428P49.4Very low65Low121 Ų12154 Ų5479%0.78631%0.306SS*.THydrogen-bonded Turntrans-68.724.5-173.129.6-37.5000115.9
1429T50.8Low65.4Low97 Ų9754 Ų5460%0.59531%0.306SS*.THydrogen-bonded Turntrans-109.210.3-179.149.40000113.1T1427 D1431T1427-T1429 PolarHBondContact O-N 2.98Å; T1429-D1431 PolarHBondContact O-N 3.18Å
1430D56.9Low65.9Low15 Ų1549.9 Ų49.98%0.0829%0.29CS..  trans-98.236-171.9-73-38.2000113.1R1375 L1426 H1432 L1433R1375-D1430 IonicContact CZ-OD1 3.84Å; R1375-D1430 IonicContact NH1-OD1 3.75Å; R1375-D1430 PolarHBondContact NH1-OD1 2.67Å; L1426-D1430 HydrophobicContact CD2-CB 4.47Å; L1426-D1430 WeakPolarHBondContact CD2-OD2 3.38Å; D1430-H1432 PolarHBondContact O-N 3.44Å; D1430-H1432 VanDerWaalsContact O-N 3.12Å; D1430-L1433 HydrophobicContact CB-CB 3.97Å; D1430-L1433 HydrophobicContact CB-CD1 4.4Å; D1430-L1433 VanDerWaalsContact O-CB 3.28Å; D1430-L1433 WeakPolarHBondContact O-CB 3.31Å; D1430-L1433 PolarHBondContact O-N 3.37Å
1431D59Low66.5Low99 Ų9948.2 Ų48.253%0.52928%0.283SS..Hα-helixtrans-53.1-31.9172.7-80.2-12.2000112.3T1429 L1433 Q1531T1429-D1431 PolarHBondContact O-N 3.18Å; D1431-L1433 VanDerWaalsContact C-N 3.31Å; D1431-L1433 PolarHBondContact O-N 2.96Å; D1431-Q1531 PolarHBondContact OD1-NE2 3Å
1432H67.7Low67.2Low109 Ų10948.7 Ų48.751%0.50529%0.287SS..Hα-helixtrans-77.5-16-179.8-6573000113.1L1379 D1430 H1435 L1436L1379-H1432 HydrophobicContact CD1-CB 4.22Å; D1430-H1432 PolarHBondContact O-N 3.44Å; D1430-H1432 VanDerWaalsContact O-N 3.12Å; H1432-H1435 PolarHBondContact O-N 2.93Å; H1432-L1436 WeakPolarHBondContact O-CB 3.29Å; H1432-L1436 PolarHBondContact O-N 3.19Å
1433L71Confident67.9Low5 Ų547.1 Ų47.13%0.02628%0.275CS..Hα-helixtrans-72.8-37.2-174.3-164.5138.3000111.4K1420 L1421 L1426 D1430 D1431 L1436 L1437K1420-L1433 HydrophobicContact CD-CD1 4.07Å; L1421-L1433 HydrophobicContact CD2-CD2 3.66Å; L1421-L1433 HydrophobicContact CG-CD2 4.19Å; L1426-L1433 HydrophobicContact CD2-CD1 3.85Å; D1430-L1433 HydrophobicContact CB-CB 3.97Å; D1430-L1433 HydrophobicContact CB-CD1 4.4Å; D1430-L1433 VanDerWaalsContact O-CB 3.28Å; D1430-L1433 WeakPolarHBondContact O-CB 3.31Å; D1430-L1433 PolarHBondContact O-N 3.37Å; D1431-L1433 VanDerWaalsContact C-N 3.31Å; D1431-L1433 PolarHBondContact O-N 2.96Å; L1433-L1436 PolarHBondContact O-N 3.45Å; L1433-L1437 HydrophobicContact CD2-CD1 3.7Å; L1433-L1437 WeakPolarHBondContact O-CD1 3.43Å; L1433-L1437 VanDerWaalsContact O-CG 3.31Å; L1433-L1437 WeakPolarHBondContact O-CG 3.29Å; L1433-L1437 PolarHBondContact O-N 3.04Å
1434L72.9Confident68.6Low4 Ų442.7 Ų42.72%0.02126%0.255CS..Hα-helixtrans-63.3-44.1172-16473.7000110.8L1437 F1438 F1500 I1525 Q1531 L1534 A1535L1434-L1437 PolarHBondContact O-N 3.39Å; L1434-F1438 PolarHBondContact O-N 3.11Å; L1434-F1500 HydrophobicContact CD1-CD1 4.43Å; L1434-F1500 HydrophobicContact CD1-CE1 3.39Å; L1434-F1500 HydrophobicContact CD1-CZ 3.9Å; L1434-I1525 HydrophobicContact CB-CG2 4.31Å; L1434-I1525 HydrophobicContact CD1-CG2 4.36Å; L1434-Q1531 HydrophobicContact CD2-CB 4.45Å; L1434-Q1531 VanDerWaalsContact CD2-O 3.32Å; L1434-Q1531 WeakPolarHBondContact CD2-O 2.95Å; L1434-L1534 HydrophobicContact CB-CD2 4.27Å; L1434-L1534 HydrophobicContact CD2-CB 3.85Å; L1434-L1534 HydrophobicContact CD2-CD2 3.89Å; L1434-L1534 HydrophobicContact CD2-CG 3.84Å; L1434-L1534 HydrophobicContact CG-CD2 4.05Å; L1434-L1534 HydrophobicContact CG-CG 4.01Å; L1434-A1535 HydrophobicContact CD1-CB 4.1Å; L1434-A1535 HydrophobicContact CD2-CB 4.07Å
1435H77.2Confident69.7Low65 Ų6539.4 Ų39.430%0.30123%0.231SC..Hα-helixtrans-65.9-39177.4-160.670.3000112.6H1383 H1432 F1438 L1439 L1534H1383-H1435 AromaticContact CE1-NE2 3.56Å; H1432-H1435 PolarHBondContact O-N 2.93Å; H1435-F1438 WeakPolarHBondContact O-CB 3.47Å; H1435-F1438 PolarHBondContact O-N 3.07Å; H1435-L1439 WeakPolarHBondContact O-CG 3.4Å; H1435-L1439 PolarHBondContact O-N 3Å; H1435-L1534 HydrophobicContact CB-CD2 4.12Å
1436L76.8Confident70.6Confident4 Ų440.9 Ų40.92%0.02122%0.218CC..Hα-helixtrans-64.5-40.8174.7-109.5138.2000112.5F1371 T1378 L1379 M1382 L1413 L1417 H1432 L1433 L1440F1371-L1436 HydrophobicContact CE2-CD1 3.74Å; F1371-L1436 HydrophobicContact CE2-CD2 4.08Å; F1371-L1436 HydrophobicContact CZ-CD1 3.99Å; T1378-L1436 HydrophobicContact CG2-CD2 4.01Å; L1379-L1436 HydrophobicContact CB-CD1 4.37Å; L1379-L1436 HydrophobicContact CD1-CD1 3.86Å; L1379-L1436 HydrophobicContact CD1-CG 4.15Å; M1382-L1436 HydrophobicContact CG-CD2 4.14Å; L1413-L1436 HydrophobicContact CD2-CD2 3.98Å; L1417-L1436 HydrophobicContact CD1-CB 4.4Å; L1417-L1436 HydrophobicContact CD1-CD2 4.36Å; H1432-L1436 WeakPolarHBondContact O-CB 3.29Å; H1432-L1436 PolarHBondContact O-N 3.19Å; L1433-L1436 PolarHBondContact O-N 3.45Å; L1436-L1440 WeakPolarHBondContact O-CB 3.41Å; L1436-L1440 PolarHBondContact O-N 3.29Å
1437L77.8Confident71.5Confident0 Ų040.2 Ų40.20%021%0.213CC..Hα-helixtrans-66-41.7175.7-74.3162000111.5L1417 L1421 L1433 L1434 L1440 F1441 F1500 T1538L1417-L1437 HydrophobicContact CB-CD2 3.85Å; L1417-L1437 HydrophobicContact CD1-CD2 3.99Å; L1417-L1437 HydrophobicContact CD1-CG 4.33Å; L1421-L1437 HydrophobicContact CD1-CD1 3.67Å; L1421-L1437 HydrophobicContact CD1-CD2 4.1Å; L1421-L1437 HydrophobicContact CD2-CD1 4.19Å; L1421-L1437 HydrophobicContact CG-CD1 4.25Å; L1433-L1437 HydrophobicContact CD2-CD1 3.7Å; L1433-L1437 WeakPolarHBondContact O-CD1 3.43Å; L1433-L1437 VanDerWaalsContact O-CG 3.31Å; L1433-L1437 WeakPolarHBondContact O-CG 3.29Å; L1433-L1437 PolarHBondContact O-N 3.04Å; L1434-L1437 PolarHBondContact O-N 3.39Å; L1437-L1440 PolarHBondContact O-N 3.45Å; L1437-F1441 HydrophobicContact CD2-CE2 4.03Å; L1437-F1441 WeakPolarHBondContact O-CD2 3.44Å; L1437-F1441 PolarHBondContact O-N 3.47Å; L1437-F1500 HydrophobicContact CD1-CE2 4.17Å; L1437-F1500 HydrophobicContact CD1-CZ 3.77Å; L1437-T1538 HydrophobicContact CB-CG2 3.97Å
1438F82Confident72.5Confident52 Ų5236.6 Ų36.623%0.22819%0.191CC..Hα-helixtrans-57.5-55.3173.6171.7-105.2000111.4L1434 H1435 L1440 F1441 S1442 L1534 T1538L1434-F1438 PolarHBondContact O-N 3.11Å; H1435-F1438 WeakPolarHBondContact O-CB 3.47Å; H1435-F1438 PolarHBondContact O-N 3.07Å; F1438-L1440 VanDerWaalsContact C-N 3.3Å; F1438-L1440 PolarHBondContact O-N 3.13Å; F1438-F1441 PolarHBondContact O-N 3.18Å; F1438-S1442 WeakPolarHBondContact O-CB 3.4Å; F1438-S1442 PolarHBondContact O-N 3.25Å; F1438-L1534 HydrophobicContact CB-CD1 3.87Å; F1438-L1534 HydrophobicContact CD1-CD1 4.06Å; F1438-L1534 HydrophobicContact CD2-CD1 4.23Å; F1438-L1534 HydrophobicContact CG-CD1 3.77Å; F1438-T1538 WeakPolarHBondContact CB-OG1 3.48Å
1439L79.7Confident73.6Confident4 Ų430.9 Ų30.92%0.02115%0.153CC..Hα-helixtrans-59.3-41.8179.2-72.2168.8000111.6M1382 D1386 H1435 S1442 V1443M1382-L1439 HydrophobicContact CB-CB 4.28Å; M1382-L1439 HydrophobicContact CB-CD1 4.28Å; D1386-L1439 HydrophobicContact CB-CD2 4.23Å; D1386-L1439 WeakPolarHBondContact OD2-CD2 3.47Å; H1435-L1439 WeakPolarHBondContact O-CG 3.4Å; H1435-L1439 PolarHBondContact O-N 3Å; L1439-S1442 WeakPolarHBondContact O-CB 3.35Å; L1439-S1442 PolarHBondContact O-N 2.83Å; L1439-V1443 VanDerWaalsContact O-CG2 3.3Å; L1439-V1443 WeakPolarHBondContact O-CG2 3.3Å; L1439-V1443 PolarHBondContact O-N 3.35Å
1440L83.2Confident74.5Confident0 Ų028.5 Ų28.50%014%0.141CC..Hα-helixtrans-62.1-49.3178.2175.6123.5000112.2C1410 L1413 A1414 L1417 L1436 L1437 F1438 S1442 V1443 L1444C1410-L1440 WeakPolarHBondContact O-CD1 3.19Å; L1413-L1440 HydrophobicContact CB-CD1 3.63Å; L1413-L1440 HydrophobicContact CD2-CD1 3.7Å; L1413-L1440 HydrophobicContact CG-CD1 3.64Å; A1414-L1440 HydrophobicContact CB-CD1 4.15Å; A1414-L1440 HydrophobicContact CB-CD2 3.71Å; A1414-L1440 HydrophobicContact CB-CG 4.43Å; L1417-L1440 HydrophobicContact CD1-CD1 4.14Å; L1436-L1440 WeakPolarHBondContact O-CB 3.41Å; L1436-L1440 PolarHBondContact O-N 3.29Å; L1437-L1440 PolarHBondContact O-N 3.45Å; F1438-L1440 VanDerWaalsContact C-N 3.3Å; F1438-L1440 PolarHBondContact O-N 3.13Å; L1440-S1442 VanDerWaalsContact C-N 3.35Å; L1440-V1443 PolarHBondContact O-N 3.17Å; L1440-L1444 HydrophobicContact CD2-CD1 3.83Å; L1440-L1444 HydrophobicContact CG-CD1 4.04Å; L1440-L1444 WeakPolarHBondContact O-CB 2.83Å; L1440-L1444 VanDerWaalsContact O-CG 3.29Å; L1440-L1444 WeakPolarHBondContact O-CG 3.35Å; L1440-L1444 PolarHBondContact O-N 2.84Å
1441F82.6Confident75.2Confident0 Ų028.7 Ų28.70%014%0.142CC..Hα-helixtrans-72-29.5178.6-70.9-59.8000112.5L1437 F1438 L1444 L1445 L1493 T1538 C1541 L1542L1437-F1441 HydrophobicContact CD2-CE2 4.03Å; L1437-F1441 WeakPolarHBondContact O-CD2 3.44Å; L1437-F1441 PolarHBondContact O-N 3.47Å; F1438-F1441 PolarHBondContact O-N 3.18Å; F1441-L1444 HydrophobicContact CD1-CD1 4.11Å; F1441-L1444 HydrophobicContact CE1-CD1 4.32Å; F1441-L1444 PolarHBondContact O-N 3.43Å; F1441-L1445 VanDerWaalsContact O-CB 3.3Å; F1441-L1445 WeakPolarHBondContact O-CB 3.14Å; F1441-L1445 WeakPolarHBondContact O-CD1 3.09Å; F1441-L1445 WeakPolarHBondContact O-CG 3.39Å; F1441-L1445 PolarHBondContact O-N 3.42Å; F1441-L1493 HydrophobicContact CE1-CD2 3.86Å; F1441-L1493 HydrophobicContact CZ-CD2 4.06Å; F1441-T1538 HydrophobicContact CD2-CG2 4.43Å; F1441-C1541 HydrophobicContact CB-CB 3.91Å; F1441-L1542 HydrophobicContact CD1-CD1 4.32Å; F1441-L1542 HydrophobicContact CD2-CD1 4.07Å; F1441-L1542 HydrophobicContact CE1-CD1 3.74Å; F1441-L1542 HydrophobicContact CE2-CD1 3.44Å; F1441-L1542 VanDerWaalsContact CE2-CD1 3.44Å; F1441-L1542 HydrophobicContact CG-CD1 4.49Å; F1441-L1542 HydrophobicContact CZ-CD1 3.27Å
1442S81Confident75.6Confident20 Ų2027.3 Ų27.314%0.1414%0.137CC..Hα-helixtrans-57.7-52.3168.9176.50000110.9D1386 F1438 L1439 L1440 L1445 R1446D1386-S1442 PolarHBondContact OD1-OG 2.83Å; F1438-S1442 WeakPolarHBondContact O-CB 3.4Å; F1438-S1442 PolarHBondContact O-N 3.25Å; L1439-S1442 WeakPolarHBondContact O-CB 3.35Å; L1439-S1442 PolarHBondContact O-N 2.83Å; L1440-S1442 VanDerWaalsContact C-N 3.35Å; S1442-L1445 PolarHBondContact O-N 2.95Å; S1442-R1446 PolarHBondContact O-N 3.15Å
1443V77.4Confident75.6Confident0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-65.3-42.3178.9173.90000111.2F1385 D1386 T1389 C1410 L1439 L1440 L1445 R1446 F1447F1385-V1443 HydrophobicContact CB-CG2 4.4Å; D1386-V1443 HydrophobicContact CB-CG2 4.04Å; T1389-V1443 HydrophobicContact CG2-CG1 4.44Å; C1410-V1443 VanDerWaalsContact SG-CG1 3.56Å; L1439-V1443 VanDerWaalsContact O-CG2 3.3Å; L1439-V1443 WeakPolarHBondContact O-CG2 3.3Å; L1439-V1443 PolarHBondContact O-N 3.35Å; L1440-V1443 PolarHBondContact O-N 3.17Å; V1443-L1445 PolarHBondContact O-N 2.85Å; V1443-R1446 PolarHBondContact O-N 2.99Å; V1443-F1447 HydrophobicContact CG1-CE2 3.84Å; V1443-F1447 VanDerWaalsContact O-CD2 3.26Å; V1443-F1447 WeakPolarHBondContact O-CD2 3.46Å
1444L78.5Confident75.4Confident0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-64.9-35.8177.8-73.8173.4000113.3C1410 A1414 L1440 F1441 R1446 F1447 M1469 F1545C1410-L1444 HydrophobicContact CB-CD2 3.62Å; C1410-L1444 HydrophobicContact CB-CG 4Å; A1414-L1444 HydrophobicContact CB-CD1 4.23Å; L1440-L1444 HydrophobicContact CD2-CD1 3.83Å; L1440-L1444 HydrophobicContact CG-CD1 4.04Å; L1440-L1444 WeakPolarHBondContact O-CB 2.83Å; L1440-L1444 VanDerWaalsContact O-CG 3.29Å; L1440-L1444 WeakPolarHBondContact O-CG 3.35Å; L1440-L1444 PolarHBondContact O-N 2.84Å; F1441-L1444 HydrophobicContact CD1-CD1 4.11Å; F1441-L1444 HydrophobicContact CE1-CD1 4.32Å; F1441-L1444 PolarHBondContact O-N 3.43Å; L1444-R1446 PolarHBondContact O-N 3.11Å; L1444-F1447 PolarHBondContact O-N 3.37Å; L1444-F1447 VanDerWaalsContact O-N 3.12Å; L1444-M1469 HydrophobicContact CB-CE 4.44Å; L1444-M1469 HydrophobicContact CD2-CE 3.81Å; L1444-F1545 HydrophobicContact CB-CD2 4.22Å; L1444-F1545 HydrophobicContact CB-CE2 3.92Å
1445L77.4Confident75Confident40 Ų4025.8 Ų25.821%0.20914%0.136CC..Hα-helixtrans-60.4-34.1176.7-90.8160000112.2F1441 S1442 V1443 F1447 T1448 C1541 C1544 F1545F1441-L1445 VanDerWaalsContact O-CB 3.3Å; F1441-L1445 WeakPolarHBondContact O-CB 3.14Å; F1441-L1445 WeakPolarHBondContact O-CD1 3.09Å; F1441-L1445 WeakPolarHBondContact O-CG 3.39Å; F1441-L1445 PolarHBondContact O-N 3.42Å; S1442-L1445 PolarHBondContact O-N 2.95Å; V1443-L1445 PolarHBondContact O-N 2.85Å; L1445-F1447 PolarHBondContact O-N 3.39Å; L1445-T1448 PolarHBondContact O-N 3.45Å; L1445-T1448 VanDerWaalsContact O-O 3.06Å; L1445-T1448 PolarHBondContact O-OG1 2.93Å; L1445-C1541 HydrophobicContact CD1-CB 3.62Å; L1445-C1544 HydrophobicContact CD1-CB 4.34Å; L1445-C1544 HydrophobicContact CD2-CB 3.65Å; L1445-F1545 HydrophobicContact CD2-CB 4.29Å; L1445-F1545 HydrophobicContact CG-CB 4.36Å
1446R74.5Confident74.3Confident94 Ų9428.2 Ų28.236%0.35515%0.147SC..Hα-helixtrans-68.7-19.8178.3-64.1-179.6-178176.5-2.7113.1D1386 T1389 E1390 S1442 V1443 L1444 T1448D1386-R1446 PolarHBondContact O-NH1 3.19Å; D1386-R1446 IonicContact OD1-CZ 3.15Å; D1386-R1446 IonicContact OD1-NH1 3.06Å; D1386-R1446 IonicContact OD1-NH2 3.43Å; T1389-R1446 WeakPolarHBondContact OG1-CD 3.38Å; T1389-R1446 PolarHBondContact OG1-NH1 3.18Å; E1390-R1446 IonicContact OE1-NH2 2.62Å; E1390-R1446 PolarHBondContact OE1-NH2 2.76Å; S1442-R1446 PolarHBondContact O-N 3.15Å; V1443-R1446 PolarHBondContact O-N 2.99Å; L1444-R1446 PolarHBondContact O-N 3.11Å; R1446-T1448 VanDerWaalsContact C-N 3.33Å
1447F74.1Confident73.4Confident31 Ų3129.3 Ų29.314%0.13616%0.16CC..THydrogen-bonded Turntrans-88.34.5170.8-61.7-65.5000113.6T1389 Q1403 M1406 C1407 V1443 L1444 L1445 M1469T1389-F1447 HydrophobicContact CG2-CZ 4.31Å; Q1403-F1447 HydrophobicContact CB-CE1 3.89Å; Q1403-F1447 HydrophobicContact CG-CE1 4.41Å; M1406-F1447 HydrophobicContact CB-CE2 4.49Å; M1406-F1447 HydrophobicContact CB-CZ 4.01Å; C1407-F1447 HydrophobicContact CB-CD2 4.34Å; C1407-F1447 HydrophobicContact CB-CE2 4.29Å; C1407-F1447 HydrophobicContact CB-CG 4.46Å; C1407-F1447 HydrophobicContact CB-CZ 4.38Å; V1443-F1447 HydrophobicContact CG1-CE2 3.84Å; V1443-F1447 VanDerWaalsContact O-CD2 3.26Å; V1443-F1447 WeakPolarHBondContact O-CD2 3.46Å; L1444-F1447 PolarHBondContact O-N 3.37Å; L1444-F1447 VanDerWaalsContact O-N 3.12Å; L1445-F1447 PolarHBondContact O-N 3.39Å; F1447-M1469 HydrophobicContact CB-SD 3.94Å
1448T72.9Confident72.2Confident8 Ų835.3 Ų35.35%0.04919%0.191CC..SBendtrans-121.2152.9178.4690000111.1L1445 R1446 M1469 F1545 S1548L1445-T1448 PolarHBondContact O-N 3.45Å; L1445-T1448 VanDerWaalsContact O-O 3.06Å; L1445-T1448 PolarHBondContact O-OG1 2.93Å; R1446-T1448 VanDerWaalsContact C-N 3.33Å; T1448-M1469 HydrophobicContact CG2-CE 4.08Å; T1448-F1545 HydrophobicContact CG2-CD2 3.83Å; T1448-F1545 HydrophobicContact CG2-CE2 3.55Å; T1448-S1548 VanDerWaalsContact CB-OG 3.23Å; T1448-S1548 WeakPolarHBondContact CB-OG 3.12Å; T1448-S1548 PolarHBondContact OG1-OG 3.08Å
1449P72Confident70.8Confident1 Ų139.3 Ų39.31%0.00622%0.223CC..  trans-63.3144.6176.5-7.717.7000110.4L1451 F1454 V1461 Y1466 L1552P1449-L1451 PolarHBondContact O-N 3.4Å; P1449-F1454 HydrophobicContact CB-CD2 4.13Å; P1449-F1454 HydrophobicContact CB-CE2 3.55Å; P1449-F1454 HydrophobicContact CB-CZ 4.12Å; P1449-F1454 HydrophobicContact CG-CE2 3.56Å; P1449-F1454 HydrophobicContact CG-CZ 3.83Å; P1449-V1461 HydrophobicContact CB-CG1 3.8Å; P1449-V1461 HydrophobicContact CG-CG1 4.06Å; P1449-Y1466 HydrophobicContact CB-CD2 4.41Å; P1449-Y1466 HydrophobicContact CB-CE1 4.46Å; P1449-Y1466 HydrophobicContact CB-CE2 4.09Å; P1449-Y1466 HydrophobicContact CG-CD1 4.02Å; P1449-Y1466 HydrophobicContact CG-CD2 3.71Å; P1449-Y1466 HydrophobicContact CG-CE1 4.2Å; P1449-Y1466 HydrophobicContact CG-CE2 3.89Å; P1449-Y1466 HydrophobicContact CG-CG 3.76Å; P1449-L1552 HydrophobicContact CG-CD1 4.09Å; P1449-L1552 HydrophobicContact CG-CD2 3.64Å; P1449-L1552 HydrophobicContact CG-CG 3.89Å
1450S70.8Confident69.9Low48 Ų4843.1 Ų43.134%0.33625%0.25SC..  trans-61.4135.2175.3123.50000109.8V1452 D1453 F1454S1450-V1452 PolarHBondContact O-N 3.38Å; S1450-V1452 WeakPolarHBondContact OG-CB 3.46Å; S1450-V1452 PolarHBondContact OG-N 3.32Å; S1450-D1453 WeakPolarHBondContact CB-OD2 3.36Å; S1450-D1453 WeakPolarHBondContact O-CB 3.46Å; S1450-D1453 PolarHBondContact O-N 2.88Å; S1450-D1453 PolarHBondContact OG-N 3.18Å; S1450-D1453 PolarHBondContact OG-OD1 3.1Å; S1450-D1453 PolarHBondContact OG-OD2 3.2Å; S1450-F1454 PolarHBondContact O-N 2.93Å
1451L70.7Confident68.8Low19 Ų1943.9 Ų43.910%0.09925%0.254CS..Hα-helixtrans-62.1-26.1173.7-84.9163.4000112.4P1449 D1453 F1454 A1455 C1544 L1547 Y1614P1449-L1451 PolarHBondContact O-N 3.4Å; L1451-D1453 VanDerWaalsContact C-N 3.3Å; L1451-F1454 PolarHBondContact O-N 3.42Å; L1451-A1455 WeakPolarHBondContact O-CB 3.48Å; L1451-A1455 PolarHBondContact O-N 3.33Å; L1451-C1544 VanDerWaalsContact CD1-CA 3.45Å; L1451-C1544 HydrophobicContact CD1-CB 3.84Å; L1451-C1544 WeakPolarHBondContact CD1-O 3.46Å; L1451-L1547 HydrophobicContact CD1-CB 3.87Å; L1451-L1547 HydrophobicContact CD1-CD1 4.34Å; L1451-L1547 HydrophobicContact CD2-CB 3.68Å; L1451-L1547 HydrophobicContact CG-CB 4.37Å; L1451-Y1614 HydrophobicContact CD2-CD1 4.12Å; L1451-Y1614 HydrophobicContact CD2-CE1 3.53Å; L1451-Y1614 HydrophobicContact CD2-CE2 4.33Å
1452V68.2Low68.2Low69 Ų6949.1 Ų49.142%0.41828%0.282SS..Hα-helixtrans-65.5-38.1173.8-177.10000109.9S1450 A1455 Q1456S1450-V1452 PolarHBondContact O-N 3.38Å; S1450-V1452 WeakPolarHBondContact OG-CB 3.46Å; S1450-V1452 PolarHBondContact OG-N 3.32Å; V1452-A1455 PolarHBondContact O-N 3.39Å; V1452-Q1456 HydrophobicContact CG1-CG 4.49Å; V1452-Q1456 WeakPolarHBondContact O-CG 3.47Å; V1452-Q1456 PolarHBondContact O-N 3.37Å
1453D67.3Low67.5Low43 Ų4349 Ų4923%0.2328%0.281CS..Hα-helixtrans-69.5-38.4178.9-55.4-11.7000110.4S1450 L1451 V1461S1450-D1453 WeakPolarHBondContact CB-OD2 3.36Å; S1450-D1453 WeakPolarHBondContact O-CB 3.46Å; S1450-D1453 PolarHBondContact O-N 2.88Å; S1450-D1453 PolarHBondContact OG-N 3.18Å; S1450-D1453 PolarHBondContact OG-OD1 3.1Å; S1450-D1453 PolarHBondContact OG-OD2 3.2Å; L1451-D1453 VanDerWaalsContact C-N 3.3Å; D1453-V1461 HydrophobicContact CB-CG2 3.62Å
1454F67.1Low67Low14 Ų1456.3 Ų56.36%0.06132%0.315CS..Hα-helixtrans-65.6-37.6170.4-80.3-64.5000112.9P1449 S1450 L1451 G1457 V1461 L1552 Y1614P1449-F1454 HydrophobicContact CB-CD2 4.13Å; P1449-F1454 HydrophobicContact CB-CE2 3.55Å; P1449-F1454 HydrophobicContact CB-CZ 4.12Å; P1449-F1454 HydrophobicContact CG-CE2 3.56Å; P1449-F1454 HydrophobicContact CG-CZ 3.83Å; S1450-F1454 PolarHBondContact O-N 2.93Å; L1451-F1454 PolarHBondContact O-N 3.42Å; F1454-G1457 PolarHBondContact O-N 2.97Å; F1454-V1461 HydrophobicContact CD1-CG2 4.41Å; F1454-V1461 HydrophobicContact CE1-CG1 4.46Å; F1454-V1461 HydrophobicContact CZ-CG1 4.39Å; F1454-L1552 HydrophobicContact CE2-CG 4.38Å; F1454-L1552 HydrophobicContact CZ-CD2 4.01Å; F1454-L1552 HydrophobicContact CZ-CG 4Å; F1454-Y1614 WeakPolarHBondContact CB-OH 3.5Å
1455A63.8Low66.5Low29 Ų2959.8 Ų59.824%0.2434%0.343CS..Hα-helixtrans-70.4-30.6179.300000112.9L1451 V1452 G1457 Y1614L1451-A1455 WeakPolarHBondContact O-CB 3.48Å; L1451-A1455 PolarHBondContact O-N 3.33Å; V1452-A1455 PolarHBondContact O-N 3.39Å; A1455-G1457 PolarHBondContact O-N 2.92Å; A1455-Y1614 HydrophobicContact CB-CD2 4.26Å; A1455-Y1614 HydrophobicContact CB-CE2 3.96Å
1456Q62.8Low66.3Low116 Ų11660.5 Ų60.554%0.54234%0.344SS..THydrogen-bonded Turntrans-73.7-8.1176.8-73.3178.213.700113.8V1452V1452-Q1456 HydrophobicContact CG1-CG 4.49Å; V1452-Q1456 WeakPolarHBondContact O-CG 3.47Å; V1452-Q1456 PolarHBondContact O-N 3.37Å
1457G57.2Low66.2Low28 Ų2863.6 Ų63.629%0.28936%0.36SS..  trans119148.8174.800000112.8F1454 A1455 C1459 C1460F1454-G1457 PolarHBondContact O-N 2.97Å; A1455-G1457 PolarHBondContact O-N 2.92Å; G1457-C1459 PolarHBondContact O-N 3.24Å; G1457-C1460 PolarHBondContact O-N 2.95Å
1458I52Low66.3Low125 Ų12564.2 Ų64.264%0.64136%0.364SS*.G310 helixtrans-56.8-23.5-172.6-56.2169.6000112.7C1460I1458-C1460 VanDerWaalsContact C-N 3.27Å; I1458-C1460 PolarHBondContact O-N 3.23Å
1459C54.4Low66.5Low136 Ų13665 Ų6592%0.91937%0.368SS*.G310 helixtrans-73-8.5-176.1-61.60000115.4G1457G1457-C1459 PolarHBondContact O-N 3.24Å
1460C59Low66.8Low85 Ų8565.1 Ų65.157%0.57437%0.368SS*.G310 helixtrans-100.3-8.6-173.5-61.30000114.6G1457 I1458G1457-C1460 PolarHBondContact O-N 2.95Å; I1458-C1460 VanDerWaalsContact C-N 3.27Å; I1458-C1460 PolarHBondContact O-N 3.23Å
1461V61.2Low67.2Low16 Ų1668.2 Ų68.210%0.09737%0.373CS..  trans-113117.2-174.5-176.30000109.7P1449 D1453 F1454 V1463 Y1466P1449-V1461 HydrophobicContact CB-CG1 3.8Å; P1449-V1461 HydrophobicContact CG-CG1 4.06Å; D1453-V1461 HydrophobicContact CB-CG2 3.62Å; F1454-V1461 HydrophobicContact CD1-CG2 4.41Å; F1454-V1461 HydrophobicContact CE1-CG1 4.46Å; F1454-V1461 HydrophobicContact CZ-CG1 4.39Å; V1461-V1463 VanDerWaalsContact C-N 3.32Å; V1461-V1463 WeakPolarHBondContact O-CG2 3.39Å; V1461-V1463 PolarHBondContact O-N 2.88Å; V1461-Y1466 HydrophobicContact CG1-CE2 4.23Å
1462D69.3Low67.7Low110 Ų11069.9 Ų69.959%0.58839%0.385SS*.  trans-73.589.4167.9-172-0.6000109E1464 A1465 Y1466D1462-E1464 PolarHBondContact O-N 3.48Å; D1462-E1464 PolarHBondContact OD1-N 3.09Å; D1462-A1465 HydrophobicContact CB-CB 4.4Å; D1462-A1465 WeakPolarHBondContact O-CB 3.45Å; D1462-A1465 PolarHBondContact O-N 2.88Å; D1462-A1465 VanDerWaalsContact O-N 3.15Å; D1462-Y1466 WeakPolarHBondContact O-CD2 3.28Å
1463V66.5Low68.2Low18 Ų1870.7 Ų70.711%0.10939%0.387CS..G310 helixtrans-63-23.4-174-157.30000111.6V1461 A1465 L1552 C1555 H1556V1461-V1463 VanDerWaalsContact C-N 3.32Å; V1461-V1463 WeakPolarHBondContact O-CG2 3.39Å; V1461-V1463 PolarHBondContact O-N 2.88Å; V1463-A1465 VanDerWaalsContact C-N 3.3Å; V1463-A1465 PolarHBondContact O-N 3.49Å; V1463-L1552 HydrophobicContact CG1-CD2 3.71Å; V1463-C1555 HydrophobicContact CG1-CB 4.22Å; V1463-C1555 HydrophobicContact CG2-CB 4.18Å; V1463-H1556 HydrophobicContact CG1-CB 4.15Å
1464E67.6Low68.8Low152 Ų15271.2 Ų71.271%0.7139%0.387SS*.G310 helixtrans-74.4-19.6179.2-65.6-173.4173.400113D1462 Y1466 P1557D1462-E1464 PolarHBondContact O-N 3.48Å; D1462-E1464 PolarHBondContact OD1-N 3.09Å; E1464-Y1466 VanDerWaalsContact C-N 3.26Å; E1464-Y1466 PolarHBondContact O-N 3.39Å; E1464-P1557 HydrophobicContact CG-CG 4.06Å
1465A68.4Low68.9Low73 Ų7371.7 Ų71.760%0.60340%0.396SS*.G310 helixtrans-74.6-12.8177.200000113.7D1462 V1463D1462-A1465 HydrophobicContact CB-CB 4.4Å; D1462-A1465 WeakPolarHBondContact O-CB 3.45Å; D1462-A1465 PolarHBondContact O-N 2.88Å; D1462-A1465 VanDerWaalsContact O-N 3.15Å; V1463-A1465 VanDerWaalsContact C-N 3.3Å; V1463-A1465 PolarHBondContact O-N 3.49Å
1466Y72.9Confident68.8Low56 Ų5675.5 Ų75.522%0.2241%0.409CS..SBendtrans-115.4127-172.7-63.7-84.9000112.2P1449 V1461 D1462 E1464P1449-Y1466 HydrophobicContact CB-CD2 4.41Å; P1449-Y1466 HydrophobicContact CB-CE1 4.46Å; P1449-Y1466 HydrophobicContact CB-CE2 4.09Å; P1449-Y1466 HydrophobicContact CG-CD1 4.02Å; P1449-Y1466 HydrophobicContact CG-CD2 3.71Å; P1449-Y1466 HydrophobicContact CG-CE1 4.2Å; P1449-Y1466 HydrophobicContact CG-CE2 3.89Å; P1449-Y1466 HydrophobicContact CG-CG 3.76Å; V1461-Y1466 HydrophobicContact CG1-CE2 4.23Å; D1462-Y1466 WeakPolarHBondContact O-CD2 3.28Å; E1464-Y1466 VanDerWaalsContact C-N 3.26Å; E1464-Y1466 PolarHBondContact O-N 3.39Å
1467K72.9Confident68.7Low159 Ų15977.1 Ų77.169%0.69142%0.416SS*.  trans-78.6138.9175.3-172.8179.7175.5-172.70110.8M1469K1467-M1469 WeakPolarHBondContact O-CG 3.35Å; K1467-M1469 PolarHBondContact O-N 2.91Å
1468L74.9Confident68.8Low43 Ų4378.5 Ų78.523%0.22541%0.414CS..  trans-68.4115.3169-64.3167.4000109.2L1552 Y1553 T1559L1468-L1552 HydrophobicContact CD2-CB 3.9Å; L1468-Y1553 HydrophobicContact CB-CE2 4.45Å; L1468-Y1553 HydrophobicContact CD1-CE1 4.32Å; L1468-Y1553 HydrophobicContact CD2-CD2 3.86Å; L1468-Y1553 HydrophobicContact CD2-CE2 3.84Å; L1468-Y1553 HydrophobicContact CD2-CG 4.26Å; L1468-T1559 HydrophobicContact CD1-CG2 3.59Å
1469M76.6Confident68.8Low25 Ų2576 Ų7612%0.12341%0.405CS..  trans-99.4-19.3-172.9-51.5-162.9-32.700113.5C1407 L1444 F1447 T1448 K1467 F1545C1407-M1469 VanDerWaalsContact SG-SD 3.67Å; L1444-M1469 HydrophobicContact CB-CE 4.44Å; L1444-M1469 HydrophobicContact CD2-CE 3.81Å; F1447-M1469 HydrophobicContact CB-SD 3.94Å; T1448-M1469 HydrophobicContact CG2-CE 4.08Å; K1467-M1469 WeakPolarHBondContact O-CG 3.35Å; K1467-M1469 PolarHBondContact O-N 2.91Å; M1469-F1545 HydrophobicContact CE-CE2 3.21Å; M1469-F1545 HydrophobicContact CE-CZ 3.31Å
1470V79.8Confident68.5Low3 Ų374.2 Ų74.22%0.01839%0.394CS..EExtended strand (participates in β ladder)trans-114.6130.9-176.2-175.20000109.4L1488 T1489 F1490 L1493 F1545 Q1549 Y1553V1470-L1488 CarbonylContact C-O 3.53Å; V1470-L1488 WeakPolarHBondContact CA-O 3.49Å; V1470-L1488 HydrophobicContact CG2-CD2 4.05Å; V1470-L1488 HydrophobicContact CG2-CG 4.41Å; V1470-T1489 VanDerWaalsContact CG1-C 3.41Å; V1470-F1490 HydrophobicContact CB-CD2 4.32Å; V1470-F1490 HydrophobicContact CB-CE2 4.14Å; V1470-F1490 HydrophobicContact CB-CZ 4.48Å; V1470-F1490 HydrophobicContact CG1-CB 4.31Å; V1470-F1490 HydrophobicContact CG1-CD1 4.29Å; V1470-F1490 HydrophobicContact CG1-CD2 3.57Å; V1470-F1490 HydrophobicContact CG1-CE2 3.89Å; V1470-F1490 HydrophobicContact CG1-CG 3.8Å; V1470-F1490 HydrophobicContact CG1-CZ 4.38Å; V1470-F1490 VanDerWaalsContact CG1-N 3.27Å; V1470-L1493 HydrophobicContact CG1-CD1 3.89Å; V1470-L1493 HydrophobicContact CG2-CD1 3.73Å; V1470-F1545 HydrophobicContact CG2-CE1 3.64Å; V1470-F1545 HydrophobicContact CG2-CZ 3.94Å; V1470-Q1549 HydrophobicContact CB-CG 4.49Å; V1470-Q1549 HydrophobicContact CG2-CB 4.32Å; V1470-Q1549 HydrophobicContact CG2-CG 3.82Å; V1470-Y1553 WeakPolarHBondContact O-CE2 3.39Å; V1470-Y1553 VanDerWaalsContact O-CZ 3.27Å; V1470-Y1553 PolarHBondContact O-OH 3.29Å
1471R79.8Confident68.1Low113 Ų11376.5 Ų76.543%0.42640%0.4SS..EExtended strand (participates in β ladder)trans-72.5144.4173.2-83.9-172.6178.4168.36.5111.4D1473 E1487 L1488 T1489 F1490R1471-D1473 PolarHBondContact O-N 3.23Å; R1471-E1487 HydrophobicContact CG-CB 4.33Å; R1471-E1487 WeakPolarHBondContact CG-OE2 3.43Å; R1471-E1487 VanDerWaalsContact CZ-CD 3.45Å; R1471-E1487 IonicContact CZ-OE1 2.92Å; R1471-E1487 IonicContact CZ-OE2 3.58Å; R1471-E1487 IonicContact NE-OE1 3.46Å; R1471-E1487 IonicContact NE-OE2 3.84Å; R1471-E1487 PolarHBondContact NE-OE2 3.36Å; R1471-E1487 IonicContact NH2-OE1 2.72Å; R1471-E1487 PolarHBondContact NH2-OE1 3.19Å; R1471-E1487 IonicContact NH2-OE2 2.73Å; R1471-E1487 PolarHBondContact NH2-OE2 3.1Å; R1471-L1488 PolarHBondContact N-O 3.15Å; R1471-T1489 HydrophobicContact CB-CG2 4.24Å; R1471-F1490 WeakPolarHBondContact O-CD2 3.33Å; R1471-F1490 PolarHBondContact O-N 3.22Å
1472P79.4Confident67.5Low55 Ų5585.1 Ų85.136%0.35744%0.44SS..SBendtrans-74.326.6-177.335-33.9000113.6Y1553 V1563 V1567P1472-Y1553 HydrophobicContact CB-CE1 3.95Å; P1472-Y1553 WeakPolarHBondContact CD-OH 2.96Å; P1472-Y1553 HydrophobicContact CG-CE1 4.1Å; P1472-V1563 HydrophobicContact CB-CG1 3.86Å; P1472-V1563 HydrophobicContact CG-CG1 4.01Å; P1472-V1567 HydrophobicContact CB-CG2 3.58Å
1473D80.2Confident66.7Low85 Ų8581.8 Ų81.846%0.45543%0.431SS..  trans-91.9128.6179.5-166.7-7.1000110.3R1471 G1475 T1489 F1490 G1491R1471-D1473 PolarHBondContact O-N 3.23Å; D1473-G1475 PolarHBondContact OD1-N 2.86Å; D1473-T1489 HydrophobicContact CB-CG2 4.1Å; D1473-F1490 PolarHBondContact O-N 3.37Å; D1473-G1491 PolarHBondContact O-N 3.48Å
1474F78.3Confident66.1Low54 Ų5487 Ų8724%0.23746%0.458CS..  trans-99.12.5178.9-69.3-89.3000112.7Q1476 F1490 L1494 V1567 E1570 T1571F1474-Q1476 PolarHBondContact O-N 3.5Å; F1474-F1490 HydrophobicContact CD1-CB 4.24Å; F1474-F1490 HydrophobicContact CE1-CB 3.98Å; F1474-F1490 HydrophobicContact CZ-CB 4.24Å; F1474-F1490 HydrophobicContact CZ-CG 4.5Å; F1474-L1494 HydrophobicContact CD1-CD1 3.95Å; F1474-L1494 HydrophobicContact CE1-CD1 3.9Å; F1474-V1567 HydrophobicContact CE2-CG2 4.33Å; F1474-E1570 HydrophobicContact CD1-CB 3.99Å; F1474-E1570 HydrophobicContact CD2-CB 4.36Å; F1474-E1570 HydrophobicContact CE1-CB 3.5Å; F1474-E1570 HydrophobicContact CE2-CB 3.92Å; F1474-E1570 HydrophobicContact CE2-CG 4.31Å; F1474-E1570 HydrophobicContact CG-CB 4.4Å; F1474-E1570 HydrophobicContact CZ-CB 3.47Å; F1474-E1570 VanDerWaalsContact CZ-CB 3.47Å; F1474-E1570 HydrophobicContact CZ-CG 4.35Å; F1474-T1571 HydrophobicContact CE1-CG2 3.64Å; F1474-T1571 HydrophobicContact CZ-CG2 3.79Å
1475G69.1Low65.5Low24 Ų2483 Ų8325%0.24744%0.439CS..  trans-60131.9173.300000112.5D1473 H1477D1473-G1475 PolarHBondContact OD1-N 2.86Å; G1475-H1477 PolarHBondContact O-N 3.29Å
1476Q62.5Low65Low109 Ų10984 Ų8451%0.50945%0.447SS..  trans-823.8173.7-63179.6-6.300112.8F1474 F1478F1474-Q1476 PolarHBondContact O-N 3.5Å; Q1476-F1478 PolarHBondContact O-N 2.91Å
1477H60.5Low64.8Low150 Ų15085.5 Ų85.569%0.69446%0.456SS*.  trans-80.4108-168.9-62.4-52.5000112G1475 T1479G1475-H1477 PolarHBondContact O-N 3.29Å; H1477-T1479 PolarHBondContact O-N 2.65Å
1478F59.3Low65Low57 Ų5778 Ų7825%0.2542%0.424CS..  trans-78.293.1157.9-60.5-88000107.8L1418 W1419 A1422 Q1476 S1480 Q1492L1418-F1478 HydrophobicContact CB-CE1 4.31Å; L1418-F1478 HydrophobicContact CB-CZ 4.46Å; W1419-F1478 HydrophobicContact CB-CD1 4.18Å; W1419-F1478 HydrophobicContact CB-CE1 4.32Å; A1422-F1478 HydrophobicContact CB-CD2 3.88Å; A1422-F1478 HydrophobicContact CB-CE2 3.43Å; A1422-F1478 VanDerWaalsContact CB-CE2 3.43Å; A1422-F1478 HydrophobicContact CB-CZ 3.86Å; Q1476-F1478 PolarHBondContact O-N 2.91Å; F1478-S1480 PolarHBondContact O-N 3.07Å; F1478-Q1492 HydrophobicContact CE1-CG 3.85Å; F1478-Q1492 HydrophobicContact CZ-CB 4.31Å; F1478-Q1492 HydrophobicContact CZ-CG 3.9Å
1479T53Low65.4Low74 Ų7476.1 Ų76.145%0.45441%0.414SS..  trans-65.9118.5-179.944.90000111.1H1477H1477-T1479 PolarHBondContact O-N 2.65Å
1480S48.1Very low65.8Low97 Ų9775 Ų7568%0.67841%0.408SS*.  trans34.4136.9156.256.50000120.1F1478 E1482 G1483F1478-S1480 PolarHBondContact O-N 3.07Å; S1480-E1482 PolarHBondContact O-N 2.99Å; S1480-G1483 PolarHBondContact O-N 3.22Å
1481D49.1Very low65.8Low134 Ų13475 Ų7572%0.71741%0.409SS*.THydrogen-bonded Turntrans-48.27-175.1-72.7-53.8000119.1K1423K1423-D1481 IonicContact NZ-OD1 3.41Å; K1423-D1481 PolarHBondContact NZ-OD1 3.35Å
1482E49.4Very low65.9Low197 Ų19769.7 Ų69.792%0.92139%0.389SS*.THydrogen-bonded Turntrans-129.76-178-66.1-166161.600115.8S1480S1480-E1482 PolarHBondContact O-N 2.99Å
1483G53.7Low66.1Low39 Ų3967.1 Ų67.140%0.40237%0.372SS..  trans-149.284.8179.200000112.7S1480 Q1485S1480-G1483 PolarHBondContact O-N 3.22Å; G1483-Q1485 PolarHBondContact O-N 2.67Å
1484L53.5Low66.2Low129 Ų12963.4 Ų63.468%0.67535%0.352SS*.  trans-53.5110.3166-99.5135.8000108V1415 V1416 A1486V1415-L1484 HydrophobicContact CB-CD2 4.5Å; V1415-L1484 HydrophobicContact CG1-CD2 3.7Å; V1416-L1484 HydrophobicContact CG2-CD2 4.1Å; L1484-A1486 PolarHBondContact O-N 3.23Å
1485Q53.9Low66.3Low68 Ų6862.8 Ų62.832%0.31835%0.35SS..  trans-55.2128.5170.3-78-171.4-1200108G1483 E1487G1483-Q1485 PolarHBondContact O-N 2.67Å; Q1485-E1487 PolarHBondContact O-N 3.24Å; Q1485-E1487 VanDerWaalsContact O-N 3.12Å
1486A58.2Low66.7Low93 Ų9361.8 Ų61.877%0.76934%0.339SS*.SBendtrans-68.5-8.7-173.900000113.8L1484L1484-A1486 PolarHBondContact O-N 3.23Å
1487E68.7Low67.4Low88 Ų8856.6 Ų56.641%0.41132%0.315SS..SBendtrans-140140.8-168.1-66.9178.5-140.100111.9R1471 Q1485R1471-E1487 HydrophobicContact CG-CB 4.33Å; R1471-E1487 WeakPolarHBondContact CG-OE2 3.43Å; R1471-E1487 VanDerWaalsContact CZ-CD 3.45Å; R1471-E1487 IonicContact CZ-OE1 2.92Å; R1471-E1487 IonicContact CZ-OE2 3.58Å; R1471-E1487 IonicContact NE-OE1 3.46Å; R1471-E1487 IonicContact NE-OE2 3.84Å; R1471-E1487 PolarHBondContact NE-OE2 3.36Å; R1471-E1487 IonicContact NH2-OE1 2.72Å; R1471-E1487 PolarHBondContact NH2-OE1 3.19Å; R1471-E1487 IonicContact NH2-OE2 2.73Å; R1471-E1487 PolarHBondContact NH2-OE2 3.1Å; Q1485-E1487 PolarHBondContact O-N 3.24Å; Q1485-E1487 VanDerWaalsContact O-N 3.12Å
1488L78Confident68.3Low2 Ų252 Ų521%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-73.7136.8-179.3-175.366.8000111.1A1414 V1415 L1418 V1470 R1471 L1493 F1545A1414-L1488 HydrophobicContact CB-CD1 4.33Å; V1415-L1488 HydrophobicContact CG2-CB 4.44Å; V1415-L1488 HydrophobicContact CG2-CD1 4.36Å; L1418-L1488 HydrophobicContact CD1-CD1 3.36Å; V1470-L1488 CarbonylContact C-O 3.53Å; V1470-L1488 WeakPolarHBondContact CA-O 3.49Å; V1470-L1488 HydrophobicContact CG2-CD2 4.05Å; V1470-L1488 HydrophobicContact CG2-CG 4.41Å; R1471-L1488 PolarHBondContact N-O 3.15Å; L1488-L1493 HydrophobicContact CD1-CD2 4.13Å; L1488-L1493 HydrophobicContact CD1-CG 4.24Å; L1488-L1493 HydrophobicContact CD2-CD1 4.08Å; L1488-L1493 HydrophobicContact CD2-CD2 4.19Å; L1488-L1493 HydrophobicContact CD2-CG 4.39Å; L1488-L1493 HydrophobicContact CG-CD1 4.18Å; L1488-L1493 HydrophobicContact CG-CD2 4.4Å; L1488-L1493 HydrophobicContact CG-CG 4.24Å; L1488-F1545 HydrophobicContact CD2-CE1 3.98Å; L1488-F1545 HydrophobicContact CD2-CZ 4.35Å
1489T83Confident69.1Low3 Ų351.8 Ų51.82%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-114.8154.8-179.570.50000113.5V1470 R1471 D1473 G1491 Q1492 L1493V1470-T1489 VanDerWaalsContact CG1-C 3.41Å; R1471-T1489 HydrophobicContact CB-CG2 4.24Å; D1473-T1489 HydrophobicContact CB-CG2 4.1Å; T1489-G1491 VanDerWaalsContact C-N 3.27Å; T1489-G1491 PolarHBondContact O-N 2.69Å; T1489-Q1492 PolarHBondContact O-N 3.43Å; T1489-Q1492 VanDerWaalsContact OG1-CG 3.22Å; T1489-Q1492 WeakPolarHBondContact OG1-CG 3.43Å; T1489-Q1492 PolarHBondContact OG1-N 3.24Å; T1489-L1493 PolarHBondContact O-N 2.95Å
1490F84.1Confident70Confident0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-60.8-36.7175.7-86.9-79.3000112V1470 R1471 D1473 F1474 Q1492 L1493 L1494 I1546 Q1549 Y1553 V1567 T1571V1470-F1490 HydrophobicContact CB-CD2 4.32Å; V1470-F1490 HydrophobicContact CB-CE2 4.14Å; V1470-F1490 HydrophobicContact CB-CZ 4.48Å; V1470-F1490 HydrophobicContact CG1-CB 4.31Å; V1470-F1490 HydrophobicContact CG1-CD1 4.29Å; V1470-F1490 HydrophobicContact CG1-CD2 3.57Å; V1470-F1490 HydrophobicContact CG1-CE2 3.89Å; V1470-F1490 HydrophobicContact CG1-CG 3.8Å; V1470-F1490 HydrophobicContact CG1-CZ 4.38Å; V1470-F1490 VanDerWaalsContact CG1-N 3.27Å; R1471-F1490 WeakPolarHBondContact O-CD2 3.33Å; R1471-F1490 PolarHBondContact O-N 3.22Å; D1473-F1490 PolarHBondContact O-N 3.37Å; F1474-F1490 HydrophobicContact CD1-CB 4.24Å; F1474-F1490 HydrophobicContact CE1-CB 3.98Å; F1474-F1490 HydrophobicContact CZ-CB 4.24Å; F1474-F1490 HydrophobicContact CZ-CG 4.5Å; F1490-Q1492 PolarHBondContact O-N 3.07Å; F1490-L1493 PolarHBondContact O-N 3.05Å; F1490-L1494 WeakPolarHBondContact O-CB 3.17Å; F1490-L1494 WeakPolarHBondContact O-CG 3.1Å; F1490-L1494 PolarHBondContact O-N 2.94Å; F1490-I1546 HydrophobicContact CD1-CG2 4.27Å; F1490-I1546 HydrophobicContact CE1-CG2 4.22Å; F1490-Q1549 HydrophobicContact CE1-CB 4.23Å; F1490-Q1549 HydrophobicContact CZ-CB 3.81Å; F1490-Y1553 AromaticContact CE2-CD2 3.73Å; F1490-Y1553 HydrophobicContact CE2-CD2 3.73Å; F1490-Y1553 AromaticContact CE2-CE2 3.69Å; F1490-Y1553 HydrophobicContact CE2-CE2 3.69Å; F1490-Y1553 HydrophobicContact CZ-CD2 4.02Å; F1490-Y1553 HydrophobicContact CZ-CE2 4.32Å; F1490-V1567 HydrophobicContact CD2-CG1 4.32Å; F1490-V1567 HydrophobicContact CE1-CG1 4.28Å; F1490-V1567 HydrophobicContact CE2-CG1 3.73Å; F1490-V1567 HydrophobicContact CZ-CG1 3.7Å; F1490-T1571 HydrophobicContact CD1-CG2 3.4Å; F1490-T1571 VanDerWaalsContact CD1-CG2 3.4Å; F1490-T1571 HydrophobicContact CE1-CG2 3.66Å; F1490-T1571 HydrophobicContact CG-CG2 4.1Å
1491G80.4Confident71.2Confident3 Ų344 Ų443%0.03124%0.241CC..Hα-helixtrans-60.8-40.2176.700000113.6D1473 T1489 H1495D1473-G1491 PolarHBondContact O-N 3.48Å; T1489-G1491 VanDerWaalsContact C-N 3.27Å; T1489-G1491 PolarHBondContact O-N 2.69Å; G1491-H1495 WeakPolarHBondContact O-CB 2.9Å; G1491-H1495 PolarHBondContact O-N 3.27Å; G1491-H1495 VanDerWaalsContact O-N 3.09Å
1492Q82.5Confident72.1Confident3 Ų338.1 Ų38.11%0.01421%0.212CC..Hα-helixtrans-66.4-41.9177-70.8166-2.400112L1418 F1478 T1489 F1490 C1496L1418-Q1492 HydrophobicContact CD1-CB 4.35Å; F1478-Q1492 HydrophobicContact CE1-CG 3.85Å; F1478-Q1492 HydrophobicContact CZ-CB 4.31Å; F1478-Q1492 HydrophobicContact CZ-CG 3.9Å; T1489-Q1492 PolarHBondContact O-N 3.43Å; T1489-Q1492 VanDerWaalsContact OG1-CG 3.22Å; T1489-Q1492 WeakPolarHBondContact OG1-CG 3.43Å; T1489-Q1492 PolarHBondContact OG1-N 3.24Å; F1490-Q1492 PolarHBondContact O-N 3.07Å; Q1492-C1496 PolarHBondContact O-N 3.45Å; Q1492-C1496 VanDerWaalsContact O-N 3.16Å
1493L82.7Confident72.9Confident0 Ų028.8 Ų28.80%017%0.168CC..Hα-helixtrans-68.7-44.3179.5-69.3169.8000112.3L1418 F1441 V1470 L1488 T1489 F1490 C1496 A1497 L1542 F1545 I1546L1418-L1493 HydrophobicContact CD1-CD2 4.09Å; F1441-L1493 HydrophobicContact CE1-CD2 3.86Å; F1441-L1493 HydrophobicContact CZ-CD2 4.06Å; V1470-L1493 HydrophobicContact CG1-CD1 3.89Å; V1470-L1493 HydrophobicContact CG2-CD1 3.73Å; L1488-L1493 HydrophobicContact CD1-CD2 4.13Å; L1488-L1493 HydrophobicContact CD1-CG 4.24Å; L1488-L1493 HydrophobicContact CD2-CD1 4.08Å; L1488-L1493 HydrophobicContact CD2-CD2 4.19Å; L1488-L1493 HydrophobicContact CD2-CG 4.39Å; L1488-L1493 HydrophobicContact CG-CD1 4.18Å; L1488-L1493 HydrophobicContact CG-CD2 4.4Å; L1488-L1493 HydrophobicContact CG-CG 4.24Å; T1489-L1493 PolarHBondContact O-N 2.95Å; F1490-L1493 PolarHBondContact O-N 3.05Å; L1493-C1496 WeakPolarHBondContact O-CB 3.46Å; L1493-C1496 PolarHBondContact O-N 3.29Å; L1493-A1497 PolarHBondContact O-N 3.1Å; L1493-L1542 HydrophobicContact CD2-CD1 4.09Å; L1493-F1545 HydrophobicContact CD1-CD1 3.98Å; L1493-F1545 HydrophobicContact CD1-CE1 3.76Å; L1493-F1545 HydrophobicContact CD2-CD1 4.45Å; L1493-F1545 HydrophobicContact CD2-CE1 4.49Å; L1493-I1546 HydrophobicContact CB-CD1 3.95Å; L1493-I1546 HydrophobicContact CB-CG1 3.93Å; L1493-I1546 HydrophobicContact CD1-CG1 4.29Å
1494L83.1Confident73.6Confident8 Ų828.1 Ų28.14%0.04216%0.155CC..Hα-helixtrans-65-40.2178-74.9167.9000111.9F1474 F1490 C1496 A1497 Q1498 I1546 T1571 E1574 V1575F1474-L1494 HydrophobicContact CD1-CD1 3.95Å; F1474-L1494 HydrophobicContact CE1-CD1 3.9Å; F1490-L1494 WeakPolarHBondContact O-CB 3.17Å; F1490-L1494 WeakPolarHBondContact O-CG 3.1Å; F1490-L1494 PolarHBondContact O-N 2.94Å; L1494-C1496 VanDerWaalsContact C-N 3.3Å; L1494-C1496 PolarHBondContact O-N 2.84Å; L1494-A1497 WeakPolarHBondContact O-CB 3.46Å; L1494-A1497 PolarHBondContact O-N 3.1Å; L1494-Q1498 WeakPolarHBondContact O-CG 3.22Å; L1494-Q1498 PolarHBondContact O-N 3.35Å; L1494-I1546 HydrophobicContact CD2-CD1 4.25Å; L1494-I1546 HydrophobicContact CD2-CG2 4.4Å; L1494-T1571 HydrophobicContact CD1-CG2 4.42Å; L1494-E1574 HydrophobicContact CD1-CB 4.08Å; L1494-E1574 HydrophobicContact CD1-CG 4.25Å; L1494-E1574 HydrophobicContact CD2-CB 3.88Å; L1494-V1575 HydrophobicContact CD2-CG2 4Å
1495H80.3Confident74Confident41 Ų4126.2 Ų26.219%0.1914%0.139CC..Hα-helixtrans-61.6-39.1174.3178.7-90.2000112G1491 Q1498 Q1499G1491-H1495 WeakPolarHBondContact O-CB 2.9Å; G1491-H1495 PolarHBondContact O-N 3.27Å; G1491-H1495 VanDerWaalsContact O-N 3.09Å; H1495-Q1498 PolarHBondContact O-N 3.29Å; H1495-Q1499 PolarHBondContact CE1-NE2 2.97Å; H1495-Q1499 WeakPolarHBondContact O-CG 3.39Å; H1495-Q1499 PolarHBondContact O-N 3.18Å
1496C77.3Confident74.2Confident2 Ų225.6 Ų25.61%0.01414%0.136CC..Hα-helixtrans-61.6-45.1172.9-169.50000111.8L1418 Q1492 L1493 L1494 Q1498 Q1499 F1500L1418-C1496 HydrophobicContact CD2-CB 3.43Å; L1418-C1496 VanDerWaalsContact CD2-CB 3.43Å; L1418-C1496 WeakPolarHBondContact CD2-SG 3.36Å; Q1492-C1496 PolarHBondContact O-N 3.45Å; Q1492-C1496 VanDerWaalsContact O-N 3.16Å; L1493-C1496 WeakPolarHBondContact O-CB 3.46Å; L1493-C1496 PolarHBondContact O-N 3.29Å; L1494-C1496 VanDerWaalsContact C-N 3.3Å; L1494-C1496 PolarHBondContact O-N 2.84Å; C1496-Q1498 VanDerWaalsContact C-N 3.3Å; C1496-Q1498 PolarHBondContact O-N 3.45Å; C1496-Q1499 PolarHBondContact O-N 3.32Å; C1496-F1500 WeakPolarHBondContact O-CD2 3.43Å; C1496-F1500 PolarHBondContact O-N 3.07Å; C1496-F1500 VanDerWaalsContact SG-CE2 3.59Å
1497A77.7Confident74Confident0 Ų025.7 Ų25.70%012%0.117CC..Hα-helixtrans-57.7-43.3175.100000111.9L1493 L1494 Q1499 F1500 A1501 L1542 F1543 L1578L1493-A1497 PolarHBondContact O-N 3.1Å; L1494-A1497 WeakPolarHBondContact O-CB 3.46Å; L1494-A1497 PolarHBondContact O-N 3.1Å; A1497-Q1499 PolarHBondContact O-N 3.37Å; A1497-F1500 PolarHBondContact O-N 3.03Å; A1497-A1501 WeakPolarHBondContact O-CB 3.35Å; A1497-A1501 PolarHBondContact O-N 3.11Å; A1497-L1542 VanDerWaalsContact CA-CD2 3.4Å; A1497-L1542 HydrophobicContact CB-CD2 3.34Å; A1497-F1543 HydrophobicContact CB-CD1 4.44Å; A1497-F1543 HydrophobicContact CB-CE1 3.77Å; A1497-F1543 HydrophobicContact CB-CZ 4.4Å; A1497-L1578 HydrophobicContact CB-CD1 3.82Å
1498Q78.5Confident73.2Confident55 Ų5526.8 Ų26.826%0.25713%0.126SC..Hα-helixtrans-60.9-42.5176.8-70.5174.7-9.400112.3L1494 H1495 C1496 A1502 E1574 L1578L1494-Q1498 WeakPolarHBondContact O-CG 3.22Å; L1494-Q1498 PolarHBondContact O-N 3.35Å; H1495-Q1498 PolarHBondContact O-N 3.29Å; C1496-Q1498 VanDerWaalsContact C-N 3.3Å; C1496-Q1498 PolarHBondContact O-N 3.45Å; Q1498-A1502 WeakPolarHBondContact O-CB 3.43Å; Q1498-A1502 PolarHBondContact O-N 3.13Å; Q1498-A1502 VanDerWaalsContact O-N 3.08Å; Q1498-E1574 PolarHBondContact NE2-OE2 3.33Å; Q1498-L1578 HydrophobicContact CB-CD2 4.11Å; Q1498-L1578 HydrophobicContact CG-CD1 3.86Å; Q1498-L1578 HydrophobicContact CG-CD2 3.69Å; Q1498-L1578 HydrophobicContact CG-CG 4.07Å
1499Q75Confident71.8Confident51 Ų5129.5 Ų29.524%0.23815%0.145CC..Hα-helixtrans-68-40.1178.7-71.7-168.1-22.600112.9H1495 C1496 A1497 A1502 S1503 V1522H1495-Q1499 PolarHBondContact CE1-NE2 2.97Å; H1495-Q1499 WeakPolarHBondContact O-CG 3.39Å; H1495-Q1499 PolarHBondContact O-N 3.18Å; C1496-Q1499 PolarHBondContact O-N 3.32Å; A1497-Q1499 PolarHBondContact O-N 3.37Å; Q1499-A1502 PolarHBondContact O-N 3.26Å; Q1499-S1503 PolarHBondContact O-N 3.04Å; Q1499-S1503 PolarHBondContact O-OG 3.41Å; Q1499-V1522 HydrophobicContact CB-CG2 4.12Å
1500F72.6Confident70.1Confident4 Ų433.7 Ų33.72%0.01817%0.174CC..Hα-helixtrans-69-39.7175.2-83.8-66000112.9L1421 L1434 L1437 C1496 A1497 A1502 S1503 I1504 V1522 L1539L1421-F1500 HydrophobicContact CD1-CE2 4.25Å; L1434-F1500 HydrophobicContact CD1-CD1 4.43Å; L1434-F1500 HydrophobicContact CD1-CE1 3.39Å; L1434-F1500 HydrophobicContact CD1-CZ 3.9Å; L1437-F1500 HydrophobicContact CD1-CE2 4.17Å; L1437-F1500 HydrophobicContact CD1-CZ 3.77Å; C1496-F1500 WeakPolarHBondContact O-CD2 3.43Å; C1496-F1500 PolarHBondContact O-N 3.07Å; C1496-F1500 VanDerWaalsContact SG-CE2 3.59Å; A1497-F1500 PolarHBondContact O-N 3.03Å; F1500-A1502 VanDerWaalsContact C-N 3.3Å; F1500-A1502 PolarHBondContact O-N 3.24Å; F1500-S1503 PolarHBondContact O-N 3.48Å; F1500-S1503 PolarHBondContact O-OG 3.42Å; F1500-I1504 WeakPolarHBondContact O-CG1 3.3Å; F1500-I1504 PolarHBondContact O-N 3.13Å; F1500-V1522 HydrophobicContact CD1-CG1 4.02Å; F1500-V1522 HydrophobicContact CE1-CG1 4.19Å; F1500-L1539 HydrophobicContact CB-CD1 3.51Å
1501A72.8Confident68.3Low3 Ų343.9 Ų43.93%0.02522%0.219CC..Hα-helixtrans-63.1-37.7175.200000112.1A1497 L1539 L1578A1497-A1501 WeakPolarHBondContact O-CB 3.35Å; A1497-A1501 PolarHBondContact O-N 3.11Å; A1501-L1539 HydrophobicContact CB-CD1 4.25Å; A1501-L1578 HydrophobicContact CB-CD2 3.7Å
1502A69.1Low66.6Low11 Ų1147.7 Ų47.79%0.09125%0.245CC..Hα-helixtrans-68.4-36.4179.400000113.4Q1498 Q1499 F1500 Q1506 W1581Q1498-A1502 WeakPolarHBondContact O-CB 3.43Å; Q1498-A1502 PolarHBondContact O-N 3.13Å; Q1498-A1502 VanDerWaalsContact O-N 3.08Å; Q1499-A1502 PolarHBondContact O-N 3.26Å; F1500-A1502 VanDerWaalsContact C-N 3.3Å; F1500-A1502 PolarHBondContact O-N 3.24Å; A1502-Q1506 PolarHBondContact O-N 3.38Å; A1502-W1581 HydrophobicContact CB-CZ3 4.19Å
1503S65.6Low64.6Low2 Ų251.7 Ų51.71%0.01429%0.287CS..Hα-helixtrans-73.9-42-179.450.50000113.9Q1499 F1500 R1505 Q1506 V1522Q1499-S1503 PolarHBondContact O-N 3.04Å; Q1499-S1503 PolarHBondContact O-OG 3.41Å; F1500-S1503 PolarHBondContact O-N 3.48Å; F1500-S1503 PolarHBondContact O-OG 3.42Å; S1503-R1505 PolarHBondContact O-N 3.13Å; S1503-Q1506 PolarHBondContact O-N 3.35Å; S1503-V1522 VanDerWaalsContact CB-CG1 3.41Å; S1503-V1522 WeakPolarHBondContact CB-O 3.48Å; S1503-V1522 WeakPolarHBondContact OG-CG1 3.46Å
1504I67.9Low62.6Low24 Ų2458.3 Ų58.312%0.12333%0.327CS..Hα-helixtrans-57.5-37.7177.6-65.4168.3000109.9F1500 I1526 A1535 E1536 L1539F1500-I1504 WeakPolarHBondContact O-CG1 3.3Å; F1500-I1504 PolarHBondContact O-N 3.13Å; I1504-I1526 HydrophobicContact CG1-CD1 3.75Å; I1504-A1535 HydrophobicContact CD1-CB 4.49Å; I1504-E1536 HydrophobicContact CD1-CG 4.11Å; I1504-L1539 HydrophobicContact CD1-CD1 4.29Å
1505R63Low60.6Low90 Ų9069.1 Ų69.134%0.3437%0.367SS..Hα-helixtrans-73.1-31.2-179.9-164.5176.6-178.5158.111.4114.6S1503 Y1507 D1508 W1581S1503-R1505 PolarHBondContact O-N 3.13Å; R1505-Y1507 VanDerWaalsContact C-N 3.34Å; R1505-D1508 PolarHBondContact O-N 3.37Å; R1505-W1581 VanDerWaalsContact NH1-NE1 3.13Å; R1505-W1581 PolarHBondContact NH1-O 3.12Å
1506Q58.5Low58.9Low54 Ų5470.4 Ų70.425%0.25238%0.381SS..Hα-helixtrans-71.4-28.6-179.1-77.2-167.6-13.900113.1A1502 S1503 D1508 S1509 S1510 H1519 A1523A1502-Q1506 PolarHBondContact O-N 3.38Å; S1503-Q1506 PolarHBondContact O-N 3.35Å; Q1506-D1508 VanDerWaalsContact C-N 3.26Å; Q1506-D1508 PolarHBondContact O-N 2.89Å; Q1506-S1509 PolarHBondContact O-N 3.25Å; Q1506-S1509 VanDerWaalsContact O-N 3.1Å; Q1506-S1509 PolarHBondContact O-OG 3.14Å; Q1506-S1510 PolarHBondContact O-N 2.75Å; Q1506-H1519 VanDerWaalsContact NE2-CB 3.31Å; Q1506-A1523 HydrophobicContact CB-CB 4.28Å
1507Y53.6Low57.2Low95 Ų9575.8 Ų75.837%0.37342%0.416SS..Hα-helixtrans-56.6-40.7175.6-163-92.4000111.6R1505 S1509 S1510 I1526R1505-Y1507 VanDerWaalsContact C-N 3.34Å; Y1507-S1509 VanDerWaalsContact C-N 3.35Å; Y1507-S1509 PolarHBondContact O-N 2.89Å; Y1507-S1510 PolarHBondContact O-OG 3.04Å; Y1507-I1526 HydrophobicContact CD2-CG2 4.43Å; Y1507-I1526 WeakPolarHBondContact CD2-O 3.36Å
1508D51.5Low55.7Low111 Ų11179 Ų7959%0.59445%0.449SS*.Hα-helixtrans-74.1-21.2179.8-70.1-12.9000113.5R1505 Q1506 R1532R1505-D1508 PolarHBondContact O-N 3.37Å; Q1506-D1508 VanDerWaalsContact C-N 3.26Å; Q1506-D1508 PolarHBondContact O-N 2.89Å; D1508-R1532 IonicContact OD1-CZ 3.68Å; D1508-R1532 IonicContact OD1-NH1 2.87Å; D1508-R1532 PolarHBondContact OD1-NH1 3.06Å; D1508-R1532 IonicContact OD1-NH2 3.79Å; D1508-R1532 IonicContact OD2-NH2 3.57Å
1509S49.3Very low54.5Low59 Ų5980.8 Ų80.841%0.41346%0.457SS..Hα-helixtrans-89.4-10.9179.471.10000114.6Q1506 Y1507 K1511 S1512Q1506-S1509 PolarHBondContact O-N 3.25Å; Q1506-S1509 VanDerWaalsContact O-N 3.1Å; Q1506-S1509 PolarHBondContact O-OG 3.14Å; Y1507-S1509 VanDerWaalsContact C-N 3.35Å; Y1507-S1509 PolarHBondContact O-N 2.89Å; S1509-K1511 PolarHBondContact O-N 3.14Å; S1509-S1512 PolarHBondContact O-N 2.79Å; S1509-S1512 PolarHBondContact O-OG 3.26Å; S1509-S1512 VanDerWaalsContact O-OG 3.08Å
1510S46.2Very low53.3Low91 Ų9183.5 Ų83.564%0.63647%0.47SS*.THydrogen-bonded Turntrans-69.3-3-168.765.70000115.6Q1506 Y1507Q1506-S1510 PolarHBondContact O-N 2.75Å; Y1507-S1510 PolarHBondContact O-OG 3.04Å
1511K47.2Very low52.2Low215 Ų21586.4 Ų86.494%0.93549%0.485SS*.THydrogen-bonded Turntrans-85-3.6165.2-69.8-171.4179.4179.20114.2S1509S1509-K1511 PolarHBondContact O-N 3.14Å
1512S43.2Very low51.2Low82 Ų8286.8 Ų86.857%0.57349%0.487SS*.SBendtrans-127.6116.417864.50000111.7S1509 V1514S1509-S1512 PolarHBondContact O-N 2.79Å; S1509-S1512 PolarHBondContact O-OG 3.26Å; S1509-S1512 VanDerWaalsContact O-OG 3.08Å; S1512-V1514 PolarHBondContact O-N 2.9Å
1513G42Very low50.3Low87 Ų8787.8 Ų87.890%0.89750%0.495SS*.  trans-75.357.3-162.400000118.1
1514V40.5Very low49.9Very low139 Ų13995.7 Ų95.784%0.84253%0.53SS*.  trans-113.7102172.2-173.50000111.1S1512S1512-V1514 PolarHBondContact O-N 2.9Å
1515R40.2Very low49.4Very low235 Ų23595.7 Ų95.789%0.88753%0.53SS*.  trans-81.3127.1175.6-67.8177.1174.8173.3-2.1110.4
1516S44.3Very low49.3Very low68 Ų6891.7 Ų91.748%0.47652%0.515SS..  trans-117.8138.1159.258.80000110G1518S1516-G1518 PolarHBondContact O-N 2.9Å
1517P43.3Very low49.6Very low115 Ų11592.6 Ų92.675%0.74753%0.527SS*.THydrogen-bonded Turntrans-84.50.3-158.5-10.629.3000116.3
1518G46.3Very low50.2Low68 Ų6890.5 Ų90.570%0.70153%0.525SS*.THydrogen-bonded Turntrans-92.6-9.7-169.400000116.9S1516S1516-G1518 PolarHBondContact O-N 2.9Å
1519H51.5Low51Low93 Ų9390 Ų9043%0.43153%0.527SS..SBendtrans-12215.9-168.3-67.7-38.6000114.3Q1506 L1521Q1506-H1519 VanDerWaalsContact NE2-CB 3.31Å; H1519-L1521 PolarHBondContact O-N 3.33Å
1520Q49.6Very low51.9Low107 Ų10794.8 Ų94.850%0.554%0.543SS..Hα-helixtrans-68.6-23.1-168.1-70.5-177.9-10.100115.4F1524Q1520-F1524 VanDerWaalsContact O-CD2 3.31Å; Q1520-F1524 WeakPolarHBondContact O-CD2 3.07Å
1521L50Low53.1Low66 Ų6691.6 Ų91.635%0.34652%0.518SS..Hα-helixtrans-77.8-36-165.9-90.8132.4000115.7P1424 L1426 H1519P1424-L1521 HydrophobicContact CB-CD1 3.86Å; L1426-L1521 HydrophobicContact CB-CD2 4.23Å; L1426-L1521 HydrophobicContact CD1-CD2 4.18Å; H1519-L1521 PolarHBondContact O-N 3.33Å
1522V51.8Low54.2Low10 Ų1084.5 Ų84.56%0.06149%0.486CS..Hα-helixtrans-92.2-23.4-178.3-168.80000111.5Q1499 F1500 S1503 F1524 I1525Q1499-V1522 HydrophobicContact CB-CG2 4.12Å; F1500-V1522 HydrophobicContact CD1-CG1 4.02Å; F1500-V1522 HydrophobicContact CE1-CG1 4.19Å; S1503-V1522 VanDerWaalsContact CB-CG1 3.41Å; S1503-V1522 WeakPolarHBondContact CB-O 3.48Å; S1503-V1522 WeakPolarHBondContact OG-CG1 3.46Å; V1522-F1524 PolarHBondContact O-N 3.28Å; V1522-I1525 HydrophobicContact CG1-CD1 4.46Å; V1522-I1525 PolarHBondContact O-N 3.01Å; V1522-I1525 VanDerWaalsContact O-N 3.08Å
1523A51.1Low55.5Low32 Ų3283.1 Ų83.126%0.26448%0.479SS..Hα-helixtrans-63.3-22.2170.700000112.8Q1506Q1506-A1523 HydrophobicContact CB-CB 4.28Å
1524F56.3Low57.1Low168 Ų16880.8 Ų80.874%0.73745%0.446SS*.THydrogen-bonded Turntrans-80.6-16.9174.4-99.4-90.9000114.1Q1520 V1522Q1520-F1524 VanDerWaalsContact O-CD2 3.31Å; Q1520-F1524 WeakPolarHBondContact O-CD2 3.07Å; V1522-F1524 PolarHBondContact O-N 3.28Å
1525I58.3Low58.7Low25 Ų2574.2 Ų74.213%0.12841%0.406CS..THydrogen-bonded Turntrans-85.6-22.9-179.6-60.1174000111.4L1434 V1522 Q1531L1434-I1525 HydrophobicContact CB-CG2 4.31Å; L1434-I1525 HydrophobicContact CD1-CG2 4.36Å; V1522-I1525 HydrophobicContact CG1-CD1 4.46Å; V1522-I1525 PolarHBondContact O-N 3.01Å; V1522-I1525 VanDerWaalsContact O-N 3.08Å; I1525-Q1531 PolarHBondContact O-OE1 3.22Å; I1525-Q1531 VanDerWaalsContact O-OE1 3.06Å
1526I60.9Low60.4Low5 Ų565.3 Ų65.33%0.02638%0.375CS..  trans-10487.4-178.4-55.3174.4000108.5I1504 Y1507 R1532 A1535I1504-I1526 HydrophobicContact CG1-CD1 3.75Å; Y1507-I1526 HydrophobicContact CD2-CG2 4.43Å; Y1507-I1526 WeakPolarHBondContact CD2-O 3.36Å; I1526-R1532 HydrophobicContact CG2-CB 3.75Å; I1526-R1532 HydrophobicContact CG2-CG 4.41Å; I1526-A1535 HydrophobicContact CD1-CB 3.62Å; I1526-A1535 HydrophobicContact CG1-CB 4.02Å
1527S63.5Low61.9Low73 Ų7364.5 Ų64.551%0.5137%0.367SS..  trans-106.7-35.5179.270.40000113Q1531S1527-Q1531 PolarHBondContact OG-OE1 2.8Å
1528T67.8Low63.6Low52 Ų5259.1 Ų59.132%0.31933%0.332SS..SBendtrans-103.8154.7179.8660000112.1E1530 Q1531 R1532T1528-E1530 PolarHBondContact O-N 2.92Å; T1528-Q1531 PolarHBondContact O-N 3.25Å; T1528-Q1531 VanDerWaalsContact O-N 3.16Å; T1528-Q1531 WeakPolarHBondContact OG1-CB 3.44Å; T1528-Q1531 WeakPolarHBondContact OG1-CG 3.28Å; T1528-Q1531 PolarHBondContact OG1-N 2.92Å; T1528-Q1531 VanDerWaalsContact OG1-N 3.11Å; T1528-R1532 PolarHBondContact O-N 3.46Å
1529P68.3Low65.3Low100 Ų10055.9 Ų55.965%0.64930%0.298SS*.Hα-helixtrans-59.2-31.5172.923.3-33.2000112.5R1532 A1533P1529-R1532 WeakPolarHBondContact O-CB 2.86Å; P1529-R1532 PolarHBondContact O-N 3.06Å; P1529-A1533 PolarHBondContact O-N 3.11Å
1530E68.5Low66.5Low159 Ų15953.2 Ų53.274%0.74329%0.286SS*.Hα-helixtrans-66-42.5174-65.1177.9-179.100112T1528 R1532 A1533 L1534T1528-E1530 PolarHBondContact O-N 2.92Å; E1530-R1532 VanDerWaalsContact C-N 3.3Å; E1530-R1532 PolarHBondContact O-N 3.31Å; E1530-A1533 PolarHBondContact O-N 3.41Å; E1530-L1534 WeakPolarHBondContact O-CB 3.45Å; E1530-L1534 PolarHBondContact O-N 3.12Å
1531Q69.6Low68.1Low25 Ų2549.2 Ų49.212%0.11727%0.269CS..Hα-helixtrans-65-34173.8-75170.5-13.300112D1431 L1434 I1525 S1527 T1528 A1535D1431-Q1531 PolarHBondContact OD1-NE2 3Å; L1434-Q1531 HydrophobicContact CD2-CB 4.45Å; L1434-Q1531 VanDerWaalsContact CD2-O 3.32Å; L1434-Q1531 WeakPolarHBondContact CD2-O 2.95Å; I1525-Q1531 PolarHBondContact O-OE1 3.22Å; I1525-Q1531 VanDerWaalsContact O-OE1 3.06Å; S1527-Q1531 PolarHBondContact OG-OE1 2.8Å; T1528-Q1531 PolarHBondContact O-N 3.25Å; T1528-Q1531 VanDerWaalsContact O-N 3.16Å; T1528-Q1531 WeakPolarHBondContact OG1-CB 3.44Å; T1528-Q1531 WeakPolarHBondContact OG1-CG 3.28Å; T1528-Q1531 PolarHBondContact OG1-N 2.92Å; T1528-Q1531 VanDerWaalsContact OG1-N 3.11Å; Q1531-A1535 VanDerWaalsContact O-CB 3.29Å; Q1531-A1535 WeakPolarHBondContact O-CB 3.35Å; Q1531-A1535 PolarHBondContact O-N 2.82Å
1532R70.4Confident69.7Low66 Ų6646.1 Ų46.125%0.24925%0.253CS..Hα-helixtrans-64.4-48172.6-179.3179.1177.4148.11.8111D1508 I1526 T1528 P1529 E1530 L1534 A1535 E1536D1508-R1532 IonicContact OD1-CZ 3.68Å; D1508-R1532 IonicContact OD1-NH1 2.87Å; D1508-R1532 PolarHBondContact OD1-NH1 3.06Å; D1508-R1532 IonicContact OD1-NH2 3.79Å; D1508-R1532 IonicContact OD2-NH2 3.57Å; I1526-R1532 HydrophobicContact CG2-CB 3.75Å; I1526-R1532 HydrophobicContact CG2-CG 4.41Å; T1528-R1532 PolarHBondContact O-N 3.46Å; P1529-R1532 WeakPolarHBondContact O-CB 2.86Å; P1529-R1532 PolarHBondContact O-N 3.06Å; E1530-R1532 VanDerWaalsContact C-N 3.3Å; E1530-R1532 PolarHBondContact O-N 3.31Å; R1532-L1534 VanDerWaalsContact C-N 3.31Å; R1532-L1534 PolarHBondContact O-N 3.12Å; R1532-A1535 PolarHBondContact O-N 3.11Å; R1532-E1536 HydrophobicContact CG-CG 4.49Å; R1532-E1536 WeakPolarHBondContact CG-OE1 3.16Å; R1532-E1536 IonicContact CZ-OE1 3.56Å; R1532-E1536 IonicContact NE-OE1 3.03Å; R1532-E1536 PolarHBondContact NE-OE1 3.12Å; R1532-E1536 IonicContact NH2-OE1 3.64Å; R1532-E1536 WeakPolarHBondContact O-CG 3.49Å; R1532-E1536 PolarHBondContact O-N 2.75Å
1533A71.8Confident71.2Confident52 Ų5245.6 Ų45.643%0.4325%0.25SS..Hα-helixtrans-59.3-43.817700000111.3P1529 E1530 A1535 E1536 T1537P1529-A1533 PolarHBondContact O-N 3.11Å; E1530-A1533 PolarHBondContact O-N 3.41Å; A1533-A1535 PolarHBondContact O-N 3.4Å; A1533-E1536 PolarHBondContact O-N 2.76Å; A1533-T1537 WeakPolarHBondContact O-CG2 3.31Å; A1533-T1537 PolarHBondContact O-N 3.12Å; A1533-T1537 PolarHBondContact O-OG1 3.27Å
1534L74.9Confident72.6Confident39 Ų3945.8 Ų45.820%0.20425%0.249CC..Hα-helixtrans-65.9-35.2176.2-173.562.1000112.7L1434 H1435 F1438 E1530 R1532 T1537 T1538L1434-L1534 HydrophobicContact CB-CD2 4.27Å; L1434-L1534 HydrophobicContact CD2-CB 3.85Å; L1434-L1534 HydrophobicContact CD2-CD2 3.89Å; L1434-L1534 HydrophobicContact CD2-CG 3.84Å; L1434-L1534 HydrophobicContact CG-CD2 4.05Å; L1434-L1534 HydrophobicContact CG-CG 4.01Å; H1435-L1534 HydrophobicContact CB-CD2 4.12Å; F1438-L1534 HydrophobicContact CB-CD1 3.87Å; F1438-L1534 HydrophobicContact CD1-CD1 4.06Å; F1438-L1534 HydrophobicContact CD2-CD1 4.23Å; F1438-L1534 HydrophobicContact CG-CD1 3.77Å; E1530-L1534 WeakPolarHBondContact O-CB 3.45Å; E1530-L1534 PolarHBondContact O-N 3.12Å; R1532-L1534 VanDerWaalsContact C-N 3.31Å; R1532-L1534 PolarHBondContact O-N 3.12Å; L1534-T1537 WeakPolarHBondContact CA-OG1 3.14Å; L1534-T1537 PolarHBondContact O-OG1 3.08Å; L1534-T1538 WeakPolarHBondContact O-CB 3.01Å; L1534-T1538 PolarHBondContact O-N 2.92Å; L1534-T1538 PolarHBondContact O-OG1 3.39Å
1535A73.9Confident74Confident0 Ų037.8 Ų37.80%021%0.214CC..Hα-helixtrans-70.5-39.4176.100000111.8L1434 I1504 I1526 Q1531 R1532 A1533 T1538 L1539L1434-A1535 HydrophobicContact CD1-CB 4.1Å; L1434-A1535 HydrophobicContact CD2-CB 4.07Å; I1504-A1535 HydrophobicContact CD1-CB 4.49Å; I1526-A1535 HydrophobicContact CD1-CB 3.62Å; I1526-A1535 HydrophobicContact CG1-CB 4.02Å; Q1531-A1535 VanDerWaalsContact O-CB 3.29Å; Q1531-A1535 WeakPolarHBondContact O-CB 3.35Å; Q1531-A1535 PolarHBondContact O-N 2.82Å; R1532-A1535 PolarHBondContact O-N 3.11Å; A1533-A1535 PolarHBondContact O-N 3.4Å; A1535-T1538 PolarHBondContact O-N 3.32Å; A1535-L1539 VanDerWaalsContact O-CB 3.3Å; A1535-L1539 WeakPolarHBondContact O-CB 3.47Å; A1535-L1539 PolarHBondContact O-N 3.36Å
1536E75.7Confident75.2Confident49 Ų4936.6 Ų36.623%0.22921%0.208CC..Hα-helixtrans-62.4-46.9173.8-73.1174-172.500110.6I1504 R1532 A1533 L1539 E1540I1504-E1536 HydrophobicContact CD1-CG 4.11Å; R1532-E1536 HydrophobicContact CG-CG 4.49Å; R1532-E1536 WeakPolarHBondContact CG-OE1 3.16Å; R1532-E1536 IonicContact CZ-OE1 3.56Å; R1532-E1536 IonicContact NE-OE1 3.03Å; R1532-E1536 PolarHBondContact NE-OE1 3.12Å; R1532-E1536 IonicContact NH2-OE1 3.64Å; R1532-E1536 WeakPolarHBondContact O-CG 3.49Å; R1532-E1536 PolarHBondContact O-N 2.75Å; A1533-E1536 PolarHBondContact O-N 2.76Å; E1536-L1539 PolarHBondContact O-N 3.43Å; E1536-E1540 WeakPolarHBondContact O-CG 3.32Å; E1536-E1540 PolarHBondContact O-N 3.15Å
1537T76.7Confident76.2Confident51 Ų5136.4 Ų36.431%0.31321%0.207SC..Hα-helixtrans-66.5-37.7176.357.20000112.9A1533 L1534 L1539 E1540 C1541A1533-T1537 WeakPolarHBondContact O-CG2 3.31Å; A1533-T1537 PolarHBondContact O-N 3.12Å; A1533-T1537 PolarHBondContact O-OG1 3.27Å; L1534-T1537 WeakPolarHBondContact CA-OG1 3.14Å; L1534-T1537 PolarHBondContact O-OG1 3.08Å; T1537-L1539 VanDerWaalsContact C-N 3.33Å; T1537-L1539 PolarHBondContact O-N 2.93Å; T1537-E1540 WeakPolarHBondContact O-CB 3.34Å; T1537-E1540 PolarHBondContact O-N 3.5Å; T1537-C1541 PolarHBondContact O-N 3.47Å; T1537-C1541 PolarHBondContact O-SG 3.43Å; T1537-C1541 VanDerWaalsContact O-SG 3.39Å
1538T79.6Confident77Confident1 Ų133 Ų331%0.00618%0.183CC..Hα-helixtrans-62.9-41.8175.2-55.20000111.3L1437 F1438 F1441 L1534 A1535 C1541 L1542L1437-T1538 HydrophobicContact CB-CG2 3.97Å; F1438-T1538 WeakPolarHBondContact CB-OG1 3.48Å; F1441-T1538 HydrophobicContact CD2-CG2 4.43Å; L1534-T1538 WeakPolarHBondContact O-CB 3.01Å; L1534-T1538 PolarHBondContact O-N 2.92Å; L1534-T1538 PolarHBondContact O-OG1 3.39Å; A1535-T1538 PolarHBondContact O-N 3.32Å; T1538-C1541 PolarHBondContact O-N 2.88Å; T1538-L1542 WeakPolarHBondContact O-CB 3.26Å; T1538-L1542 PolarHBondContact O-N 3.44Å
1539L80.6Confident77.7Confident0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-69.8-34.2178.5-178.4140.1000111.6F1500 A1501 I1504 A1535 E1536 T1537 F1543 L1608F1500-L1539 HydrophobicContact CB-CD1 3.51Å; A1501-L1539 HydrophobicContact CB-CD1 4.25Å; I1504-L1539 HydrophobicContact CD1-CD1 4.29Å; A1535-L1539 VanDerWaalsContact O-CB 3.3Å; A1535-L1539 WeakPolarHBondContact O-CB 3.47Å; A1535-L1539 PolarHBondContact O-N 3.36Å; E1536-L1539 PolarHBondContact O-N 3.43Å; T1537-L1539 VanDerWaalsContact C-N 3.33Å; T1537-L1539 PolarHBondContact O-N 2.93Å; L1539-F1543 HydrophobicContact CD2-CD2 3.67Å; L1539-F1543 HydrophobicContact CD2-CE2 3.31Å; L1539-F1543 HydrophobicContact CD2-CZ 4.15Å; L1539-F1543 HydrophobicContact CG-CD2 4.25Å; L1539-F1543 HydrophobicContact CG-CE2 3.95Å; L1539-F1543 HydrophobicContact CG-CZ 4.41Å; L1539-F1543 WeakPolarHBondContact O-CD2 3.48Å; L1539-F1543 PolarHBondContact O-N 2.69Å; L1539-L1608 HydrophobicContact CD2-CD2 3.56Å
1540E78.3Confident78.3Confident37 Ų3725.9 Ų25.917%0.17314%0.138CC..Hα-helixtrans-61.2-49168.6-73.2172-175.400111.8E1536 T1537 L1542 F1543 C1544 S1605 A1607 L1608 I1611E1536-E1540 WeakPolarHBondContact O-CG 3.32Å; E1536-E1540 PolarHBondContact O-N 3.15Å; T1537-E1540 WeakPolarHBondContact O-CB 3.34Å; T1537-E1540 PolarHBondContact O-N 3.5Å; E1540-L1542 VanDerWaalsContact C-N 3.33Å; E1540-L1542 PolarHBondContact O-N 2.87Å; E1540-F1543 PolarHBondContact O-N 3.25Å; E1540-C1544 WeakPolarHBondContact O-CB 2.99Å; E1540-C1544 PolarHBondContact O-N 3.36Å; E1540-C1544 PolarHBondContact O-SG 3.35Å; E1540-C1544 VanDerWaalsContact O-SG 3.35Å; E1540-S1605 WeakPolarHBondContact OE1-CB 3.07Å; E1540-S1605 PolarHBondContact OE1-OG 2.77Å; E1540-A1607 VanDerWaalsContact CD-CB 3.45Å; E1540-A1607 HydrophobicContact CG-CB 4.07Å; E1540-A1607 WeakPolarHBondContact OE2-CB 3.42Å; E1540-L1608 HydrophobicContact CG-CD2 4.42Å; E1540-L1608 HydrophobicContact CG-CG 4.16Å; E1540-I1611 HydrophobicContact CB-CD1 4.45Å; E1540-I1611 HydrophobicContact CG-CD1 4.41Å
1541C81.9Confident78.8Confident23 Ų2318.8 Ų18.816%0.15511%0.105CC..Hα-helixtrans-59.7-43.6177.3-71.40000112F1441 L1445 T1537 T1538 C1544 F1545F1441-C1541 HydrophobicContact CB-CB 3.91Å; L1445-C1541 HydrophobicContact CD1-CB 3.62Å; T1537-C1541 PolarHBondContact O-N 3.47Å; T1537-C1541 PolarHBondContact O-SG 3.43Å; T1537-C1541 VanDerWaalsContact O-SG 3.39Å; T1538-C1541 PolarHBondContact O-N 2.88Å; C1541-C1544 PolarHBondContact O-N 2.96Å; C1541-F1545 WeakPolarHBondContact O-CB 3.32Å; C1541-F1545 PolarHBondContact O-N 2.94Å
1542L83Confident79.2Confident1 Ų117.6 Ų17.61%0.00510%0.1CC..Hα-helixtrans-61.1-46.6177.5-173.494.6000111.8F1441 L1493 A1497 T1538 E1540 F1545 I1546F1441-L1542 HydrophobicContact CD1-CD1 4.32Å; F1441-L1542 HydrophobicContact CD2-CD1 4.07Å; F1441-L1542 HydrophobicContact CE1-CD1 3.74Å; F1441-L1542 HydrophobicContact CE2-CD1 3.44Å; F1441-L1542 VanDerWaalsContact CE2-CD1 3.44Å; F1441-L1542 HydrophobicContact CG-CD1 4.49Å; F1441-L1542 HydrophobicContact CZ-CD1 3.27Å; L1493-L1542 HydrophobicContact CD2-CD1 4.09Å; A1497-L1542 VanDerWaalsContact CA-CD2 3.4Å; A1497-L1542 HydrophobicContact CB-CD2 3.34Å; T1538-L1542 WeakPolarHBondContact O-CB 3.26Å; T1538-L1542 PolarHBondContact O-N 3.44Å; E1540-L1542 VanDerWaalsContact C-N 3.33Å; E1540-L1542 PolarHBondContact O-N 2.87Å; L1542-F1545 PolarHBondContact O-N 3.16Å; L1542-I1546 HydrophobicContact CD2-CD1 4.2Å; L1542-I1546 HydrophobicContact CG-CD1 4.06Å; L1542-I1546 VanDerWaalsContact O-CG1 3.29Å; L1542-I1546 WeakPolarHBondContact O-CG1 2.8Å; L1542-I1546 PolarHBondContact O-N 3.3Å
1543F83.3Confident79.7Confident0 Ų015.3 Ų15.30%09%0.091CC..Hα-helixtrans-65.2-41176.7-78.4-34000112.3A1497 L1539 E1540 F1545 I1546 L1547 V1575 L1578 V1579 L1608 I1611A1497-F1543 HydrophobicContact CB-CD1 4.44Å; A1497-F1543 HydrophobicContact CB-CE1 3.77Å; A1497-F1543 HydrophobicContact CB-CZ 4.4Å; L1539-F1543 HydrophobicContact CD2-CD2 3.67Å; L1539-F1543 HydrophobicContact CD2-CE2 3.31Å; L1539-F1543 HydrophobicContact CD2-CZ 4.15Å; L1539-F1543 HydrophobicContact CG-CD2 4.25Å; L1539-F1543 HydrophobicContact CG-CE2 3.95Å; L1539-F1543 HydrophobicContact CG-CZ 4.41Å; L1539-F1543 WeakPolarHBondContact O-CD2 3.48Å; L1539-F1543 PolarHBondContact O-N 2.69Å; E1540-F1543 PolarHBondContact O-N 3.25Å; F1543-F1545 VanDerWaalsContact C-N 3.25Å; F1543-F1545 PolarHBondContact O-N 3.29Å; F1543-I1546 PolarHBondContact O-N 2.98Å; F1543-L1547 WeakPolarHBondContact O-CB 3.24Å; F1543-L1547 VanDerWaalsContact O-CG 3.3Å; F1543-L1547 WeakPolarHBondContact O-CG 3.33Å; F1543-L1547 PolarHBondContact O-N 2.99Å; F1543-V1575 HydrophobicContact CD1-CG1 4.26Å; F1543-V1575 HydrophobicContact CD1-CG2 4.31Å; F1543-V1575 HydrophobicContact CE1-CG1 4.32Å; F1543-V1575 HydrophobicContact CE1-CG2 4.38Å; F1543-L1578 HydrophobicContact CE1-CB 4.43Å; F1543-L1578 HydrophobicContact CE1-CD1 4.1Å; F1543-L1578 HydrophobicContact CZ-CB 4.01Å; F1543-L1578 HydrophobicContact CZ-CD1 4.36Å; F1543-V1579 HydrophobicContact CE2-CG2 3.9Å; F1543-V1579 HydrophobicContact CZ-CG2 4.14Å; F1543-L1608 HydrophobicContact CD2-CD2 4.04Å; F1543-L1608 HydrophobicContact CE2-CD2 4.02Å; F1543-I1611 HydrophobicContact CB-CD1 3.86Å; F1543-I1611 HydrophobicContact CB-CG2 3.98Å; F1543-I1611 HydrophobicContact CD2-CD1 4.31Å; F1543-I1611 HydrophobicContact CD2-CG2 4.12Å; F1543-I1611 HydrophobicContact CG-CG2 4.22Å
1544C81.7Confident79.9Confident36 Ų3614.7 Ų14.724%0.2438%0.083CC..Hα-helixtrans-59.1-41.3175.6-75.80000111.4L1445 L1451 E1540 C1541 S1548L1445-C1544 HydrophobicContact CD1-CB 4.34Å; L1445-C1544 HydrophobicContact CD2-CB 3.65Å; L1451-C1544 VanDerWaalsContact CD1-CA 3.45Å; L1451-C1544 HydrophobicContact CD1-CB 3.84Å; L1451-C1544 WeakPolarHBondContact CD1-O 3.46Å; E1540-C1544 WeakPolarHBondContact O-CB 2.99Å; E1540-C1544 PolarHBondContact O-N 3.36Å; E1540-C1544 PolarHBondContact O-SG 3.35Å; E1540-C1544 VanDerWaalsContact O-SG 3.35Å; C1541-C1544 PolarHBondContact O-N 2.96Å; C1544-S1548 WeakPolarHBondContact O-CB 2.91Å; C1544-S1548 PolarHBondContact O-N 3.4Å; C1544-S1548 PolarHBondContact O-OG 3.02Å
1545F84.8Confident79.9Confident0 Ų014.8 Ų14.80%09%0.086CC..Hα-helixtrans-66.7-45.4177.5-176.7-104.4000112.9L1444 L1445 T1448 M1469 V1470 L1488 L1493 C1541 L1542 F1543 L1547 S1548 Q1549L1444-F1545 HydrophobicContact CB-CD2 4.22Å; L1444-F1545 HydrophobicContact CB-CE2 3.92Å; L1445-F1545 HydrophobicContact CD2-CB 4.29Å; L1445-F1545 HydrophobicContact CG-CB 4.36Å; T1448-F1545 HydrophobicContact CG2-CD2 3.83Å; T1448-F1545 HydrophobicContact CG2-CE2 3.55Å; M1469-F1545 HydrophobicContact CE-CE2 3.21Å; M1469-F1545 HydrophobicContact CE-CZ 3.31Å; V1470-F1545 HydrophobicContact CG2-CE1 3.64Å; V1470-F1545 HydrophobicContact CG2-CZ 3.94Å; L1488-F1545 HydrophobicContact CD2-CE1 3.98Å; L1488-F1545 HydrophobicContact CD2-CZ 4.35Å; L1493-F1545 HydrophobicContact CD1-CD1 3.98Å; L1493-F1545 HydrophobicContact CD1-CE1 3.76Å; L1493-F1545 HydrophobicContact CD2-CD1 4.45Å; L1493-F1545 HydrophobicContact CD2-CE1 4.49Å; C1541-F1545 WeakPolarHBondContact O-CB 3.32Å; C1541-F1545 PolarHBondContact O-N 2.94Å; L1542-F1545 PolarHBondContact O-N 3.16Å; F1543-F1545 VanDerWaalsContact C-N 3.25Å; F1543-F1545 PolarHBondContact O-N 3.29Å; F1545-L1547 VanDerWaalsContact C-N 3.34Å; F1545-L1547 PolarHBondContact O-N 3.34Å; F1545-S1548 PolarHBondContact O-N 2.73Å; F1545-S1548 PolarHBondContact O-OG 3.1Å; F1545-S1548 VanDerWaalsContact O-OG 3.08Å; F1545-Q1549 HydrophobicContact CE1-CG 4.28Å; F1545-Q1549 HydrophobicContact CE2-CG 4.26Å; F1545-Q1549 HydrophobicContact CZ-CG 4.07Å; F1545-Q1549 WeakPolarHBondContact O-CB 3.3Å; F1545-Q1549 WeakPolarHBondContact O-CG 3.07Å; F1545-Q1549 PolarHBondContact O-N 3.33Å
1546I83.6Confident80Confident0 Ų016 Ų160%09%0.091CC..Hα-helixtrans-61.4-44.7177.4-68.9166.2000110.5F1490 L1493 L1494 L1542 F1543 M1550 T1571 V1575F1490-I1546 HydrophobicContact CD1-CG2 4.27Å; F1490-I1546 HydrophobicContact CE1-CG2 4.22Å; L1493-I1546 HydrophobicContact CB-CD1 3.95Å; L1493-I1546 HydrophobicContact CB-CG1 3.93Å; L1493-I1546 HydrophobicContact CD1-CG1 4.29Å; L1494-I1546 HydrophobicContact CD2-CD1 4.25Å; L1494-I1546 HydrophobicContact CD2-CG2 4.4Å; L1542-I1546 HydrophobicContact CD2-CD1 4.2Å; L1542-I1546 HydrophobicContact CG-CD1 4.06Å; L1542-I1546 VanDerWaalsContact O-CG1 3.29Å; L1542-I1546 WeakPolarHBondContact O-CG1 2.8Å; L1542-I1546 PolarHBondContact O-N 3.3Å; F1543-I1546 PolarHBondContact O-N 2.98Å; I1546-M1550 WeakPolarHBondContact O-CB 3.33Å; I1546-M1550 PolarHBondContact O-N 3.03Å; I1546-T1571 HydrophobicContact CG2-CG2 4.41Å; I1546-V1575 HydrophobicContact CG2-CG2 4.28Å
1547L82.4Confident79.7Confident0 Ų017.5 Ų17.50%011%0.106CC..Hα-helixtrans-70.5-37.4-179.7-69.7174.7000112.1L1451 F1543 F1545 M1550 S1551 I1611 Y1614L1451-L1547 HydrophobicContact CD1-CB 3.87Å; L1451-L1547 HydrophobicContact CD1-CD1 4.34Å; L1451-L1547 HydrophobicContact CD2-CB 3.68Å; L1451-L1547 HydrophobicContact CG-CB 4.37Å; F1543-L1547 WeakPolarHBondContact O-CB 3.24Å; F1543-L1547 VanDerWaalsContact O-CG 3.3Å; F1543-L1547 WeakPolarHBondContact O-CG 3.33Å; F1543-L1547 PolarHBondContact O-N 2.99Å; F1545-L1547 VanDerWaalsContact C-N 3.34Å; F1545-L1547 PolarHBondContact O-N 3.34Å; L1547-M1550 HydrophobicContact CD2-CE 3.45Å; L1547-M1550 VanDerWaalsContact CD2-CE 3.45Å; L1547-M1550 PolarHBondContact O-N 3.03Å; L1547-S1551 WeakPolarHBondContact O-CB 3.06Å; L1547-S1551 PolarHBondContact O-N 3.35Å; L1547-S1551 PolarHBondContact O-OG 3.16Å; L1547-S1551 VanDerWaalsContact O-OG 3.14Å; L1547-I1611 HydrophobicContact CD1-CG2 3.87Å; L1547-Y1614 HydrophobicContact CB-CE1 4.49Å; L1547-Y1614 HydrophobicContact CD1-CD1 4.01Å; L1547-Y1614 HydrophobicContact CD2-CD1 4.42Å
1548S79.6Confident79.5Confident1 Ų121.6 Ų21.61%0.00713%0.126CC..Hα-helixtrans-65.3-42.4176.575.80000111.5T1448 C1544 F1545 S1551 L1552T1448-S1548 VanDerWaalsContact CB-OG 3.23Å; T1448-S1548 WeakPolarHBondContact CB-OG 3.12Å; T1448-S1548 PolarHBondContact OG1-OG 3.08Å; C1544-S1548 WeakPolarHBondContact O-CB 2.91Å; C1544-S1548 PolarHBondContact O-N 3.4Å; C1544-S1548 PolarHBondContact O-OG 3.02Å; F1545-S1548 PolarHBondContact O-N 2.73Å; F1545-S1548 PolarHBondContact O-OG 3.1Å; F1545-S1548 VanDerWaalsContact O-OG 3.08Å; S1548-S1551 PolarHBondContact O-N 2.91Å; S1548-L1552 WeakPolarHBondContact O-CG 3.46Å; S1548-L1552 PolarHBondContact O-N 3.47Å
1549Q84.1Confident79.1Confident0 Ų022.9 Ų22.90%013%0.133CC..Hα-helixtrans-66.6-39.4174.7-68.1-67.9-52.100111.7V1470 F1490 F1545 L1552 Y1553V1470-Q1549 HydrophobicContact CB-CG 4.49Å; V1470-Q1549 HydrophobicContact CG2-CB 4.32Å; V1470-Q1549 HydrophobicContact CG2-CG 3.82Å; F1490-Q1549 HydrophobicContact CE1-CB 4.23Å; F1490-Q1549 HydrophobicContact CZ-CB 3.81Å; F1545-Q1549 HydrophobicContact CE1-CG 4.28Å; F1545-Q1549 HydrophobicContact CE2-CG 4.26Å; F1545-Q1549 HydrophobicContact CZ-CG 4.07Å; F1545-Q1549 WeakPolarHBondContact O-CB 3.3Å; F1545-Q1549 WeakPolarHBondContact O-CG 3.07Å; F1545-Q1549 PolarHBondContact O-N 3.33Å; Q1549-L1552 PolarHBondContact O-N 3.19Å; Q1549-Y1553 WeakPolarHBondContact O-CD2 3.46Å; Q1549-Y1553 PolarHBondContact O-N 2.97Å
1550M81.1Confident78.8Confident4 Ų425.4 Ų25.42%0.0215%0.154CC..Hα-helixtrans-58.2-49.6172.3-179.3-138-66.400110.9I1546 L1547 L1552 Y1553 T1554 V1567 R1568 T1571 A1572I1546-M1550 WeakPolarHBondContact O-CB 3.33Å; I1546-M1550 PolarHBondContact O-N 3.03Å; L1547-M1550 HydrophobicContact CD2-CE 3.45Å; L1547-M1550 VanDerWaalsContact CD2-CE 3.45Å; L1547-M1550 PolarHBondContact O-N 3.03Å; M1550-L1552 VanDerWaalsContact C-N 3.33Å; M1550-L1552 PolarHBondContact O-N 3.19Å; M1550-Y1553 WeakPolarHBondContact O-CB 3.27Å; M1550-Y1553 PolarHBondContact O-N 3.36Å; M1550-Y1553 VanDerWaalsContact O-N 3.13Å; M1550-T1554 WeakPolarHBondContact O-CG2 2.79Å; M1550-T1554 PolarHBondContact O-N 3.01Å; M1550-T1554 VanDerWaalsContact O-N 3.08Å; M1550-V1567 HydrophobicContact CB-CG1 4.46Å; M1550-V1567 HydrophobicContact CG-CG1 4.24Å; M1550-R1568 HydrophobicContact CG-CB 4.47Å; M1550-R1568 HydrophobicContact SD-CB 4.44Å; M1550-R1568 HydrophobicContact SD-CG 4.01Å; M1550-T1571 WeakPolarHBondContact CE-OG1 3.33Å; M1550-T1571 VanDerWaalsContact CG-OG1 3.29Å; M1550-T1571 WeakPolarHBondContact CG-OG1 3.43Å; M1550-A1572 HydrophobicContact CE-CB 4.01Å
1551S77Confident78.5Confident9 Ų930 Ų306%0.06319%0.185CC..Hα-helixtrans-60.9-40.8178.9-66.80000111.9L1547 S1548 T1554 C1555 Y1614L1547-S1551 WeakPolarHBondContact O-CB 3.06Å; L1547-S1551 PolarHBondContact O-N 3.35Å; L1547-S1551 PolarHBondContact O-OG 3.16Å; L1547-S1551 VanDerWaalsContact O-OG 3.14Å; S1548-S1551 PolarHBondContact O-N 2.91Å; S1551-T1554 WeakPolarHBondContact CA-OG1 3.32Å; S1551-T1554 PolarHBondContact O-N 3.38Å; S1551-T1554 PolarHBondContact O-OG1 3.04Å; S1551-C1555 PolarHBondContact O-N 2.99Å; S1551-C1555 VanDerWaalsContact O-N 3.15Å; S1551-C1555 PolarHBondContact O-SG 2.9Å; S1551-Y1614 PolarHBondContact OG-OH 2.98Å; S1551-Y1614 VanDerWaalsContact OG-OH 3.05Å
1552L78.9Confident78.4Confident0 Ų032.3 Ų32.30%020%0.202CC..Hα-helixtrans-58.4-48.9170.7-78171.5000111.8P1449 F1454 V1463 L1468 S1548 Q1549 M1550 T1554 C1555 H1556P1449-L1552 HydrophobicContact CG-CD1 4.09Å; P1449-L1552 HydrophobicContact CG-CD2 3.64Å; P1449-L1552 HydrophobicContact CG-CG 3.89Å; F1454-L1552 HydrophobicContact CE2-CG 4.38Å; F1454-L1552 HydrophobicContact CZ-CD2 4.01Å; F1454-L1552 HydrophobicContact CZ-CG 4Å; V1463-L1552 HydrophobicContact CG1-CD2 3.71Å; L1468-L1552 HydrophobicContact CD2-CB 3.9Å; S1548-L1552 WeakPolarHBondContact O-CG 3.46Å; S1548-L1552 PolarHBondContact O-N 3.47Å; Q1549-L1552 PolarHBondContact O-N 3.19Å; M1550-L1552 VanDerWaalsContact C-N 3.33Å; M1550-L1552 PolarHBondContact O-N 3.19Å; L1552-T1554 PolarHBondContact O-N 3.07Å; L1552-T1554 VanDerWaalsContact O-N 3.11Å; L1552-C1555 PolarHBondContact O-N 3.35Å; L1552-C1555 VanDerWaalsContact O-N 3.08Å; L1552-H1556 WeakPolarHBondContact O-CB 3.37Å; L1552-H1556 PolarHBondContact O-N 3.25Å
1553Y81.7Confident78.2Confident18 Ų1834.7 Ų34.77%0.07122%0.216CC..Hα-helixtrans-58.4-27.8177.1-95.3-83.4000113.5L1468 V1470 P1472 F1490 Q1549 M1550 T1559 V1563 G1564 V1567L1468-Y1553 HydrophobicContact CB-CE2 4.45Å; L1468-Y1553 HydrophobicContact CD1-CE1 4.32Å; L1468-Y1553 HydrophobicContact CD2-CD2 3.86Å; L1468-Y1553 HydrophobicContact CD2-CE2 3.84Å; L1468-Y1553 HydrophobicContact CD2-CG 4.26Å; V1470-Y1553 WeakPolarHBondContact O-CE2 3.39Å; V1470-Y1553 VanDerWaalsContact O-CZ 3.27Å; V1470-Y1553 PolarHBondContact O-OH 3.29Å; P1472-Y1553 HydrophobicContact CB-CE1 3.95Å; P1472-Y1553 WeakPolarHBondContact CD-OH 2.96Å; P1472-Y1553 HydrophobicContact CG-CE1 4.1Å; F1490-Y1553 AromaticContact CE2-CD2 3.73Å; F1490-Y1553 HydrophobicContact CE2-CD2 3.73Å; F1490-Y1553 AromaticContact CE2-CE2 3.69Å; F1490-Y1553 HydrophobicContact CE2-CE2 3.69Å; F1490-Y1553 HydrophobicContact CZ-CD2 4.02Å; F1490-Y1553 HydrophobicContact CZ-CE2 4.32Å; Q1549-Y1553 WeakPolarHBondContact O-CD2 3.46Å; Q1549-Y1553 PolarHBondContact O-N 2.97Å; M1550-Y1553 WeakPolarHBondContact O-CB 3.27Å; M1550-Y1553 PolarHBondContact O-N 3.36Å; M1550-Y1553 VanDerWaalsContact O-N 3.13Å; Y1553-T1559 HydrophobicContact CD1-CG2 3.58Å; Y1553-T1559 HydrophobicContact CE1-CG2 3.89Å; Y1553-T1559 HydrophobicContact CG-CG2 4.4Å; Y1553-T1559 PolarHBondContact O-OG1 3.31Å; Y1553-V1563 HydrophobicContact CD1-CG1 4.25Å; Y1553-V1563 HydrophobicContact CE1-CG1 4.31Å; Y1553-G1564 WeakPolarHBondContact O-CA 3.44Å; Y1553-V1567 HydrophobicContact CD1-CG2 4.22Å; Y1553-V1567 HydrophobicContact CD2-CG1 4.47Å; Y1553-V1567 HydrophobicContact CG-CG1 4.26Å; Y1553-V1567 HydrophobicContact CG-CG2 4.29Å
1554T75.6Confident78Confident40 Ų4034.9 Ų34.925%0.24522%0.218CC..Hα-helixtrans-84.1-20.4178.962.80000114.9M1550 S1551 L1552 R1568M1550-T1554 WeakPolarHBondContact O-CG2 2.79Å; M1550-T1554 PolarHBondContact O-N 3.01Å; M1550-T1554 VanDerWaalsContact O-N 3.08Å; S1551-T1554 WeakPolarHBondContact CA-OG1 3.32Å; S1551-T1554 PolarHBondContact O-N 3.38Å; S1551-T1554 PolarHBondContact O-OG1 3.04Å; L1552-T1554 PolarHBondContact O-N 3.07Å; L1552-T1554 VanDerWaalsContact O-N 3.11Å; T1554-R1568 HydrophobicContact CG2-CB 3.83Å; T1554-R1568 HydrophobicContact CG2-CG 4.12Å
1555C74.6Confident77.8Confident41 Ų4135.8 Ų35.828%0.27722%0.224SC..Hα-helixtrans-116-17.9-173.6-64.60000113.6V1463 S1551 L1552V1463-C1555 HydrophobicContact CG1-CB 4.22Å; V1463-C1555 HydrophobicContact CG2-CB 4.18Å; S1551-C1555 PolarHBondContact O-N 2.99Å; S1551-C1555 VanDerWaalsContact O-N 3.15Å; S1551-C1555 PolarHBondContact O-SG 2.9Å; L1552-C1555 PolarHBondContact O-N 3.35Å; L1552-C1555 VanDerWaalsContact O-N 3.08Å
1556H75Confident77.7Confident24 Ų2439.4 Ų39.411%0.11125%0.246CC..  trans-68.8131.9-173.8-164.2-43.9000111.1V1463 L1552 N1558 T1559V1463-H1556 HydrophobicContact CG1-CB 4.15Å; L1552-H1556 WeakPolarHBondContact O-CB 3.37Å; L1552-H1556 PolarHBondContact O-N 3.25Å; H1556-N1558 PolarHBondContact CE1-ND2 3.1Å; H1556-N1558 PolarHBondContact ND1-N 2.7Å; H1556-N1558 VanDerWaalsContact ND1-N 3.2Å; H1556-N1558 PolarHBondContact O-N 3.43Å; H1556-T1559 HydrophobicContact CB-CG2 4.27Å; H1556-T1559 PolarHBondContact O-N 2.91Å; H1556-T1559 PolarHBondContact O-OG1 3.25Å
1557P70.2Confident77.6Confident81 Ų8139.4 Ų39.453%0.52625%0.247SC..THydrogen-bonded Turntrans-62.3-17.1-178.819.2-31.8000115.2E1464E1464-P1557 HydrophobicContact CG-CG 4.06Å
1558N73.2Confident77.5Confident138 Ų13844.4 Ų44.474%0.73827%0.265SS*.THydrogen-bonded Turntrans-96.7-6.1-176.2-68.1-19.4000113.5H1556H1556-N1558 PolarHBondContact CE1-ND2 3.1Å; H1556-N1558 PolarHBondContact ND1-N 2.7Å; H1556-N1558 VanDerWaalsContact ND1-N 3.2Å; H1556-N1558 PolarHBondContact O-N 3.43Å
1559T70.1Confident77.6Confident27 Ų2748 Ų4817%0.16629%0.287CS..SBendtrans-92.7128.1178.651.40000110.3L1468 Y1553 H1556 T1561L1468-T1559 HydrophobicContact CD1-CG2 3.59Å; Y1553-T1559 HydrophobicContact CD1-CG2 3.58Å; Y1553-T1559 HydrophobicContact CE1-CG2 3.89Å; Y1553-T1559 HydrophobicContact CG-CG2 4.4Å; Y1553-T1559 PolarHBondContact O-OG1 3.31Å; H1556-T1559 HydrophobicContact CB-CG2 4.27Å; H1556-T1559 PolarHBondContact O-N 2.91Å; H1556-T1559 PolarHBondContact O-OG1 3.25Å; T1559-T1561 PolarHBondContact O-N 3.11Å
1560A75Confident77.5Confident53 Ų5352.2 Ų52.244%0.43831%0.307SS..  trans-59135.4172.200000109.3S1562 V1563 G1564A1560-S1562 PolarHBondContact O-N 3.29Å; A1560-V1563 HydrophobicContact CB-CG2 4.17Å; A1560-V1563 PolarHBondContact O-N 3.4Å; A1560-G1564 PolarHBondContact O-N 2.66Å
1561T72Confident77.4Confident133 Ų13352 Ų5282%0.81631%0.306SS*.Hα-helixtrans-54-30.4179.4390000112.7T1559 S1565T1559-T1561 PolarHBondContact O-N 3.11Å; T1561-S1565 VanDerWaalsContact O-CB 3.28Å; T1561-S1565 WeakPolarHBondContact O-CB 3.37Å; T1561-S1565 PolarHBondContact O-N 3.34Å; T1561-S1565 PolarHBondContact O-OG 3.07Å
1562S78.6Confident77.5Confident73 Ų7351.6 Ų51.651%0.5130%0.303SS..Hα-helixtrans-62-50.4171.4550000112.3A1560 S1565 V1566A1560-S1562 PolarHBondContact O-N 3.29Å; S1562-S1565 PolarHBondContact O-N 3.34Å; S1562-S1565 PolarHBondContact O-OG 3.49Å; S1562-V1566 WeakPolarHBondContact O-CG2 3.5Å; S1562-V1566 PolarHBondContact O-N 2.96Å
1563V80.2Confident77.6Confident51 Ų5153.9 Ų53.931%0.30932%0.317SS..Hα-helixtrans-64.3-45.8179.2-179.40000110.6P1472 Y1553 A1560 S1565 V1566 V1567P1472-V1563 HydrophobicContact CB-CG1 3.86Å; P1472-V1563 HydrophobicContact CG-CG1 4.01Å; Y1553-V1563 HydrophobicContact CD1-CG1 4.25Å; Y1553-V1563 HydrophobicContact CE1-CG1 4.31Å; A1560-V1563 HydrophobicContact CB-CG2 4.17Å; A1560-V1563 PolarHBondContact O-N 3.4Å; V1563-S1565 VanDerWaalsContact C-N 3.27Å; V1563-S1565 PolarHBondContact O-N 3.22Å; V1563-V1566 PolarHBondContact O-N 3.42Å; V1563-V1567 HydrophobicContact CG1-CG2 4.33Å; V1563-V1567 WeakPolarHBondContact O-CG2 3.38Å; V1563-V1567 PolarHBondContact O-N 3.03Å
1564G77.8Confident77.5Confident3 Ų355.2 Ų55.23%0.03132%0.324CS..Hα-helixtrans-60.4-36175.900000112.8Y1553 A1560 R1568Y1553-G1564 WeakPolarHBondContact O-CA 3.44Å; A1560-G1564 PolarHBondContact O-N 2.66Å; G1564-R1568 VanDerWaalsContact O-CB 3.31Å; G1564-R1568 WeakPolarHBondContact O-CB 3.34Å; G1564-R1568 PolarHBondContact O-N 2.83Å; G1564-R1568 VanDerWaalsContact O-N 3.12Å
1565S79.2Confident77.6Confident55 Ų5553.3 Ų53.339%0.38531%0.312SS..Hα-helixtrans-71-41.7175.772.30000113.1T1561 S1562 V1563 R1568 V1569T1561-S1565 VanDerWaalsContact O-CB 3.28Å; T1561-S1565 WeakPolarHBondContact O-CB 3.37Å; T1561-S1565 PolarHBondContact O-N 3.34Å; T1561-S1565 PolarHBondContact O-OG 3.07Å; S1562-S1565 PolarHBondContact O-N 3.34Å; S1562-S1565 PolarHBondContact O-OG 3.49Å; V1563-S1565 VanDerWaalsContact C-N 3.27Å; V1563-S1565 PolarHBondContact O-N 3.22Å; S1565-R1568 PolarHBondContact O-N 3.05Å; S1565-V1569 WeakPolarHBondContact O-CG2 3.43Å; S1565-V1569 PolarHBondContact O-N 2.68Å
1566V82.9Confident77.8Confident76 Ų7653 Ų5346%0.46131%0.308SS..Hα-helixtrans-64.2-48.3177.4171.10000110S1562 V1563 R1568 V1569 E1570S1562-V1566 WeakPolarHBondContact O-CG2 3.5Å; S1562-V1566 PolarHBondContact O-N 2.96Å; V1563-V1566 PolarHBondContact O-N 3.42Å; V1566-R1568 VanDerWaalsContact C-N 3.3Å; V1566-R1568 PolarHBondContact O-N 3.16Å; V1566-V1569 PolarHBondContact O-N 3.49Å; V1566-E1570 HydrophobicContact CG1-CG 4.18Å; V1566-E1570 WeakPolarHBondContact O-CB 3.16Å; V1566-E1570 WeakPolarHBondContact O-CG 3.33Å; V1566-E1570 PolarHBondContact O-N 3.36Å
1567V80.7Confident78Confident1 Ų157.4 Ų57.41%0.00633%0.329CS..Hα-helixtrans-57-47.2177.8172.50000110.3P1472 F1474 F1490 M1550 Y1553 V1563 V1569 T1571P1472-V1567 HydrophobicContact CB-CG2 3.58Å; F1474-V1567 HydrophobicContact CE2-CG2 4.33Å; F1490-V1567 HydrophobicContact CD2-CG1 4.32Å; F1490-V1567 HydrophobicContact CE1-CG1 4.28Å; F1490-V1567 HydrophobicContact CE2-CG1 3.73Å; F1490-V1567 HydrophobicContact CZ-CG1 3.7Å; M1550-V1567 HydrophobicContact CB-CG1 4.46Å; M1550-V1567 HydrophobicContact CG-CG1 4.24Å; Y1553-V1567 HydrophobicContact CD1-CG2 4.22Å; Y1553-V1567 HydrophobicContact CD2-CG1 4.47Å; Y1553-V1567 HydrophobicContact CG-CG1 4.26Å; Y1553-V1567 HydrophobicContact CG-CG2 4.29Å; V1563-V1567 HydrophobicContact CG1-CG2 4.33Å; V1563-V1567 WeakPolarHBondContact O-CG2 3.38Å; V1563-V1567 PolarHBondContact O-N 3.03Å; V1567-V1569 PolarHBondContact O-N 3.29Å; V1567-T1571 HydrophobicContact CG1-CG2 4.18Å; V1567-T1571 WeakPolarHBondContact O-CB 3.01Å; V1567-T1571 WeakPolarHBondContact O-CG2 3.38Å; V1567-T1571 PolarHBondContact O-N 3.45Å; V1567-T1571 PolarHBondContact O-OG1 3.26Å
1568R80.1Confident78.2Confident104 Ų10453.8 Ų53.839%0.39231%0.305SS..Hα-helixtrans-59-47.5178.6-168.9-169-49.2-174.72112.9M1550 T1554 G1564 S1565 V1566 A1572M1550-R1568 HydrophobicContact CG-CB 4.47Å; M1550-R1568 HydrophobicContact SD-CB 4.44Å; M1550-R1568 HydrophobicContact SD-CG 4.01Å; T1554-R1568 HydrophobicContact CG2-CB 3.83Å; T1554-R1568 HydrophobicContact CG2-CG 4.12Å; G1564-R1568 VanDerWaalsContact O-CB 3.31Å; G1564-R1568 WeakPolarHBondContact O-CB 3.34Å; G1564-R1568 PolarHBondContact O-N 2.83Å; G1564-R1568 VanDerWaalsContact O-N 3.12Å; S1565-R1568 PolarHBondContact O-N 3.05Å; V1566-R1568 VanDerWaalsContact C-N 3.3Å; V1566-R1568 PolarHBondContact O-N 3.16Å; R1568-A1572 WeakPolarHBondContact O-CB 3.41Å; R1568-A1572 PolarHBondContact O-N 2.86Å; R1568-A1572 VanDerWaalsContact O-N 3.11Å
1569V81.5Confident78.1Confident78 Ų7847.3 Ų47.347%0.47327%0.27SS..Hα-helixtrans-67-54-176.9172.70000110.4S1565 V1566 V1567 A1572 T1573S1565-V1569 WeakPolarHBondContact O-CG2 3.43Å; S1565-V1569 PolarHBondContact O-N 2.68Å; V1566-V1569 PolarHBondContact O-N 3.49Å; V1567-V1569 PolarHBondContact O-N 3.29Å; V1569-A1572 PolarHBondContact O-N 3.01Å; V1569-T1573 WeakPolarHBondContact O-CG2 3.38Å; V1569-T1573 PolarHBondContact O-N 3.41Å; V1569-T1573 PolarHBondContact O-OG1 3.24Å
1570E81.6Confident78.2Confident87 Ų8750.9 Ų50.941%0.40729%0.285SS..Hα-helixtrans-64.9-45.8-174.7-67-67.3161.800112.3F1474 V1566 T1573 E1574F1474-E1570 HydrophobicContact CD1-CB 3.99Å; F1474-E1570 HydrophobicContact CD2-CB 4.36Å; F1474-E1570 HydrophobicContact CE1-CB 3.5Å; F1474-E1570 HydrophobicContact CE2-CB 3.92Å; F1474-E1570 HydrophobicContact CE2-CG 4.31Å; F1474-E1570 HydrophobicContact CG-CB 4.4Å; F1474-E1570 HydrophobicContact CZ-CB 3.47Å; F1474-E1570 VanDerWaalsContact CZ-CB 3.47Å; F1474-E1570 HydrophobicContact CZ-CG 4.35Å; V1566-E1570 HydrophobicContact CG1-CG 4.18Å; V1566-E1570 WeakPolarHBondContact O-CB 3.16Å; V1566-E1570 WeakPolarHBondContact O-CG 3.33Å; V1566-E1570 PolarHBondContact O-N 3.36Å; E1570-T1573 WeakPolarHBondContact CA-OG1 3.41Å; E1570-T1573 PolarHBondContact O-N 3.19Å; E1570-T1573 PolarHBondContact O-OG1 2.9Å; E1570-E1574 WeakPolarHBondContact O-CG 3.46Å; E1570-E1574 PolarHBondContact O-N 2.95Å; E1570-E1574 VanDerWaalsContact O-N 3.12Å
1571T79Confident77.9Confident0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-65.8-41.117752.90000111.8F1474 F1490 L1494 I1546 M1550 V1567 E1574 V1575F1474-T1571 HydrophobicContact CE1-CG2 3.64Å; F1474-T1571 HydrophobicContact CZ-CG2 3.79Å; F1490-T1571 HydrophobicContact CD1-CG2 3.4Å; F1490-T1571 VanDerWaalsContact CD1-CG2 3.4Å; F1490-T1571 HydrophobicContact CE1-CG2 3.66Å; F1490-T1571 HydrophobicContact CG-CG2 4.1Å; L1494-T1571 HydrophobicContact CD1-CG2 4.42Å; I1546-T1571 HydrophobicContact CG2-CG2 4.41Å; M1550-T1571 WeakPolarHBondContact CE-OG1 3.33Å; M1550-T1571 VanDerWaalsContact CG-OG1 3.29Å; M1550-T1571 WeakPolarHBondContact CG-OG1 3.43Å; V1567-T1571 HydrophobicContact CG1-CG2 4.18Å; V1567-T1571 WeakPolarHBondContact O-CB 3.01Å; V1567-T1571 WeakPolarHBondContact O-CG2 3.38Å; V1567-T1571 PolarHBondContact O-N 3.45Å; V1567-T1571 PolarHBondContact O-OG1 3.26Å; T1571-E1574 PolarHBondContact O-N 3.44Å; T1571-V1575 WeakPolarHBondContact O-CB 3.37Å; T1571-V1575 VanDerWaalsContact O-CG2 3.24Å; T1571-V1575 WeakPolarHBondContact O-CG2 3.43Å; T1571-V1575 PolarHBondContact O-N 3.36Å
1572A78.7Confident77.7Confident0 Ų050.3 Ų50.30%026%0.264CS..Hα-helixtrans-70.7-33.5-178.700000112M1550 R1568 V1569 N1576 L1619M1550-A1572 HydrophobicContact CE-CB 4.01Å; R1568-A1572 WeakPolarHBondContact O-CB 3.41Å; R1568-A1572 PolarHBondContact O-N 2.86Å; R1568-A1572 VanDerWaalsContact O-N 3.11Å; V1569-A1572 PolarHBondContact O-N 3.01Å; A1572-N1576 VanDerWaalsContact O-CB 3.25Å; A1572-N1576 WeakPolarHBondContact O-CB 3.21Å; A1572-N1576 PolarHBondContact O-N 3.2Å; A1572-L1619 HydrophobicContact CB-CD1 3.45Å; A1572-L1619 VanDerWaalsContact CB-CD1 3.45Å; A1572-L1619 HydrophobicContact CB-CD2 3.97Å; A1572-L1619 HydrophobicContact CB-CG 3.52Å
1573T81Confident77.1Confident48 Ų4849.7 Ų49.729%0.29425%0.254SS..Hα-helixtrans-64.9-45.8173.145.40000111.9V1569 E1570 Q1577V1569-T1573 WeakPolarHBondContact O-CG2 3.38Å; V1569-T1573 PolarHBondContact O-N 3.41Å; V1569-T1573 PolarHBondContact O-OG1 3.24Å; E1570-T1573 WeakPolarHBondContact CA-OG1 3.41Å; E1570-T1573 PolarHBondContact O-N 3.19Å; E1570-T1573 PolarHBondContact O-OG1 2.9Å; T1573-Q1577 VanDerWaalsContact O-CG 3.29Å; T1573-Q1577 WeakPolarHBondContact O-CG 3.5Å; T1573-Q1577 PolarHBondContact O-N 3.17Å
1574E79.5Confident76.1Confident47 Ų4755.8 Ų55.822%0.2227%0.272CS..Hα-helixtrans-68.8-44.3-179.6-72.1-64.9141.700112.2L1494 Q1498 E1570 T1571 N1576 Q1577 L1578L1494-E1574 HydrophobicContact CD1-CB 4.08Å; L1494-E1574 HydrophobicContact CD1-CG 4.25Å; L1494-E1574 HydrophobicContact CD2-CB 3.88Å; Q1498-E1574 PolarHBondContact NE2-OE2 3.33Å; E1570-E1574 WeakPolarHBondContact O-CG 3.46Å; E1570-E1574 PolarHBondContact O-N 2.95Å; E1570-E1574 VanDerWaalsContact O-N 3.12Å; T1571-E1574 PolarHBondContact O-N 3.44Å; E1574-N1576 PolarHBondContact O-N 3.16Å; E1574-Q1577 PolarHBondContact O-N 3.31Å; E1574-L1578 WeakPolarHBondContact O-CB 3.45Å; E1574-L1578 WeakPolarHBondContact O-CG 3.06Å; E1574-L1578 PolarHBondContact O-N 3.4Å
1575V79Confident74.8Confident0 Ų061.1 Ų61.10%031%0.306CS..Hα-helixtrans-64-42176.8173.90000110.9L1494 F1543 I1546 T1571 Q1577 L1578 V1579 I1611 A1615L1494-V1575 HydrophobicContact CD2-CG2 4Å; F1543-V1575 HydrophobicContact CD1-CG1 4.26Å; F1543-V1575 HydrophobicContact CD1-CG2 4.31Å; F1543-V1575 HydrophobicContact CE1-CG1 4.32Å; F1543-V1575 HydrophobicContact CE1-CG2 4.38Å; I1546-V1575 HydrophobicContact CG2-CG2 4.28Å; T1571-V1575 WeakPolarHBondContact O-CB 3.37Å; T1571-V1575 VanDerWaalsContact O-CG2 3.24Å; T1571-V1575 WeakPolarHBondContact O-CG2 3.43Å; T1571-V1575 PolarHBondContact O-N 3.36Å; V1575-Q1577 PolarHBondContact O-N 3.22Å; V1575-L1578 PolarHBondContact O-N 3.24Å; V1575-V1579 HydrophobicContact CG1-CG2 4.09Å; V1575-V1579 WeakPolarHBondContact O-CB 3.45Å; V1575-V1579 VanDerWaalsContact O-CG2 3.24Å; V1575-V1579 WeakPolarHBondContact O-CG2 3.18Å; V1575-V1579 PolarHBondContact O-N 3.14Å; V1575-I1611 HydrophobicContact CG1-CG2 4.47Å; V1575-A1615 HydrophobicContact CG1-CB 4.16Å
1576N78.3Confident73.2Confident33 Ų3364.6 Ų64.618%0.17633%0.325CS..Hα-helixtrans-64.6-41176.6-89.4-5000112.8A1572 E1574 L1578 V1579 E1580 A1615 L1619A1572-N1576 VanDerWaalsContact O-CB 3.25Å; A1572-N1576 WeakPolarHBondContact O-CB 3.21Å; A1572-N1576 PolarHBondContact O-N 3.2Å; E1574-N1576 PolarHBondContact O-N 3.16Å; N1576-L1578 VanDerWaalsContact C-N 3.31Å; N1576-L1578 PolarHBondContact O-N 3.11Å; N1576-V1579 PolarHBondContact O-N 3.09Å; N1576-E1580 WeakPolarHBondContact O-CB 2.98Å; N1576-E1580 PolarHBondContact O-N 3.34Å; N1576-A1615 VanDerWaalsContact OD1-CB 3.28Å; N1576-A1615 WeakPolarHBondContact OD1-CB 3.34Å; N1576-L1619 WeakPolarHBondContact ND2-CD1 3.27Å
1577Q78.6Confident70.9Confident118 Ų11872.7 Ų72.755%0.55135%0.347SS*.Hα-helixtrans-60.5-44.4174.8-75.6179.431.800110.7T1573 E1574 V1575 W1581T1573-Q1577 VanDerWaalsContact O-CG 3.29Å; T1573-Q1577 WeakPolarHBondContact O-CG 3.5Å; T1573-Q1577 PolarHBondContact O-N 3.17Å; E1574-Q1577 PolarHBondContact O-N 3.31Å; V1575-Q1577 PolarHBondContact O-N 3.22Å; Q1577-W1581 WeakPolarHBondContact O-CB 3.24Å; Q1577-W1581 PolarHBondContact O-N 3.19Å
1578L74.2Confident68.7Low5 Ų576.5 Ų76.53%0.02638%0.379CS..Hα-helixtrans-63.2-46.6178.6-81.7165.1000113.3A1497 Q1498 A1501 F1543 E1574 V1575 N1576 W1581 C1582A1497-L1578 HydrophobicContact CB-CD1 3.82Å; Q1498-L1578 HydrophobicContact CB-CD2 4.11Å; Q1498-L1578 HydrophobicContact CG-CD1 3.86Å; Q1498-L1578 HydrophobicContact CG-CD2 3.69Å; Q1498-L1578 HydrophobicContact CG-CG 4.07Å; A1501-L1578 HydrophobicContact CB-CD2 3.7Å; F1543-L1578 HydrophobicContact CE1-CB 4.43Å; F1543-L1578 HydrophobicContact CE1-CD1 4.1Å; F1543-L1578 HydrophobicContact CZ-CB 4.01Å; F1543-L1578 HydrophobicContact CZ-CD1 4.36Å; E1574-L1578 WeakPolarHBondContact O-CB 3.45Å; E1574-L1578 WeakPolarHBondContact O-CG 3.06Å; E1574-L1578 PolarHBondContact O-N 3.4Å; V1575-L1578 PolarHBondContact O-N 3.24Å; N1576-L1578 VanDerWaalsContact C-N 3.31Å; N1576-L1578 PolarHBondContact O-N 3.11Å; L1578-W1581 WeakPolarHBondContact O-CA 3.18Å; L1578-W1581 VanDerWaalsContact O-CB 3.3Å; L1578-W1581 WeakPolarHBondContact O-CB 3.39Å; L1578-W1581 PolarHBondContact O-N 3.16Å; L1578-W1581 VanDerWaalsContact O-N 3.11Å; L1578-C1582 PolarHBondContact O-N 2.83Å; L1578-C1582 PolarHBondContact O-SG 3.23Å
1579V72.3Confident66.4Low1 Ų177.4 Ų77.41%0.00640%0.401CS..Hα-helixtrans-70.3-38.5-178.5-178.80000111.3F1543 V1575 N1576 W1581 C1582 L1583 I1611 W1612F1543-V1579 HydrophobicContact CE2-CG2 3.9Å; F1543-V1579 HydrophobicContact CZ-CG2 4.14Å; V1575-V1579 HydrophobicContact CG1-CG2 4.09Å; V1575-V1579 WeakPolarHBondContact O-CB 3.45Å; V1575-V1579 VanDerWaalsContact O-CG2 3.24Å; V1575-V1579 WeakPolarHBondContact O-CG2 3.18Å; V1575-V1579 PolarHBondContact O-N 3.14Å; N1576-V1579 PolarHBondContact O-N 3.09Å; V1579-W1581 PolarHBondContact O-N 3.45Å; V1579-C1582 PolarHBondContact O-N 3.45Å; V1579-L1583 HydrophobicContact CG1-CD1 3.85Å; V1579-L1583 HydrophobicContact CG1-CG 4.38Å; V1579-L1583 WeakPolarHBondContact O-CG 3.49Å; V1579-L1583 PolarHBondContact O-N 3.03Å; V1579-L1583 VanDerWaalsContact O-N 3.13Å; V1579-I1611 HydrophobicContact CG2-CG2 4.35Å; V1579-W1612 HydrophobicContact CG1-CB 3.57Å; V1579-W1612 VanDerWaalsContact CG1-CD1 3.44Å; V1579-W1612 HydrophobicContact CG1-CG 3.78Å
1580E71.6Confident64.1Low103 Ų10379.5 Ų79.548%0.48142%0.416SS..Hα-helixtrans-59.5-35.5168.8-88-158.3153.500112.1N1576 C1582 L1583N1576-E1580 WeakPolarHBondContact O-CB 2.98Å; N1576-E1580 PolarHBondContact O-N 3.34Å; E1580-C1582 VanDerWaalsContact C-N 3.35Å; E1580-L1583 PolarHBondContact O-N 3.29Å
1581W69.9Low61.9Low123 Ų12385.3 Ų85.347%0.46644%0.44SS..Hα-helixtrans-67.6-36.1179.1-145.440.4000112.1A1502 R1505 Q1577 L1578 V1579A1502-W1581 HydrophobicContact CB-CZ3 4.19Å; R1505-W1581 VanDerWaalsContact NH1-NE1 3.13Å; R1505-W1581 PolarHBondContact NH1-O 3.12Å; Q1577-W1581 WeakPolarHBondContact O-CB 3.24Å; Q1577-W1581 PolarHBondContact O-N 3.19Å; L1578-W1581 WeakPolarHBondContact O-CA 3.18Å; L1578-W1581 VanDerWaalsContact O-CB 3.3Å; L1578-W1581 WeakPolarHBondContact O-CB 3.39Å; L1578-W1581 PolarHBondContact O-N 3.16Å; L1578-W1581 VanDerWaalsContact O-N 3.11Å; V1579-W1581 PolarHBondContact O-N 3.45Å
1582C68.1Low59.9Low51 Ų5194.6 Ų94.635%0.34549%0.486SS..Hα-helixtrans-72.1-29.6174.3-65.70000113.6L1578 V1579 E1580L1578-C1582 PolarHBondContact O-N 2.83Å; L1578-C1582 PolarHBondContact O-SG 3.23Å; V1579-C1582 PolarHBondContact O-N 3.45Å; E1580-C1582 VanDerWaalsContact C-N 3.35Å
1583L65.9Low57.9Low60 Ų6099 Ų9931%0.31452%0.522SS..Hα-helixtrans-91.1-11.4-170.7-69.8172.2000116.7V1579 E1580 P1585 V1604 W1612V1579-L1583 HydrophobicContact CG1-CD1 3.85Å; V1579-L1583 HydrophobicContact CG1-CG 4.38Å; V1579-L1583 WeakPolarHBondContact O-CG 3.49Å; V1579-L1583 PolarHBondContact O-N 3.03Å; V1579-L1583 VanDerWaalsContact O-N 3.13Å; E1580-L1583 PolarHBondContact O-N 3.29Å; L1583-P1585 WeakPolarHBondContact O-CD 3.44Å; L1583-V1604 HydrophobicContact CD2-CG1 3.67Å; L1583-W1612 HydrophobicContact CD1-CD2 4.41Å; L1583-W1612 HydrophobicContact CD1-CG 4.11Å
1584R57.6Low55.8Low178 Ų178102 Ų10267%0.67254%0.536SS*.  trans-81.5119.3-176.1-84.9-172.6-178.11755.6114.1
1585P50.4Low53.6Low115 Ų115111.7 Ų111.775%0.74757%0.57SS**  trans-77.7139.5175.730.2-32.4000113.1L1583 R1587L1583-P1585 WeakPolarHBondContact O-CD 3.44Å; P1585-R1587 PolarHBondContact O-N 3.39Å
1586V47Very low51.4Low129 Ų129121.2 Ų121.278%0.78261%0.612SS**  trans-69106.5179.8-1790000110.8
1587R34.2Very low49.4Very low245 Ų245129.9 Ų129.993%0.92564%0.643SS**  trans-91.694.8169.4-78.6-176.3176.4172.5-0.1110.6P1585P1585-R1587 PolarHBondContact O-N 3.39Å
1588A35.1Very low47.1Very low82 Ų82133.4 Ų133.468%0.67865%0.651SS**  trans-161.8127.816000000113.2
1589S32Very low45.2Very low123 Ų123141.7 Ų141.786%0.8669%0.69SS**  trans94.4115.9165.381.10000119.1
1590P32.7Very low43.5Very low121 Ų121148.9 Ų148.979%0.78673%0.728SS**  trans-103131.6-179.736.2-27.1000112.4
1591K35.7Very low41.8Very low210 Ų210148.4 Ų148.491%0.91374%0.737SS**  trans175.911.2148.7-102.8177.8-171.6-1720119.5
1592M36.3Very low40.3Very low195 Ų195148.1 Ų148.196%0.96175%0.748SS**  trans-119.192.3168.4-80.3-160.2164.500111.6
1593A37.2Very low39.1Very low91 Ų91155.5 Ų155.575%0.75277%0.774SS**  trans-74.6113.2166.300000108
1594L36.1Very low38.2Very low112 Ų112156.5 Ų156.559%0.58678%0.783SS**  90.499.770.4-86.9153.4000111.8R1598L1594-R1598 HydrophobicContact CD2-CG 4.24Å
1595R32.8Very low38.2Very low251 Ų251148.9 Ų148.995%0.94776%0.757SS**SBend-162.8-6.6127.6-112.2175.3-178.9178.30.3117.5
1596K34.1Very low38.6Very low200 Ų200148 Ų14887%0.8775%0.751SS**SBendtrans-114.9-6.9180-107.7-179.1176.4-177.50117.6
1597Y35.4Very low39.3Very low215 Ų215143.6 Ų143.684%0.84373%0.728SS**SBendtrans-101.47.9-172.9-106.3-87.1000115.5
1598R31.8Very low40.7Very low191 Ų191132.9 Ų132.972%0.72169%0.689SS**SBendtrans-96.8-6-169.4-124.1-175.8-170.4-177.91.9115.9L1594L1594-R1598 HydrophobicContact CD2-CG 4.24Å
1599E33.6Very low42.2Very low179 Ų179132 Ų13284%0.83667%0.673SS**SBendtrans-104.6-27.2-177.8-72.8178.1169.800113.6
1600D35.5Very low43.8Very low152 Ų152130 Ų13081%0.81365%0.647SS**THydrogen-bonded Turntrans-90.9-5.3-172.8-67.4-35.3000115.8
1601S37.7Very low45.3Very low94 Ų94124.3 Ų124.366%0.65761%0.61SS**THydrogen-bonded Turntrans-102.312.2-170.951.50000116.3
1602V37Very low46.8Very low116 Ų116118.3 Ų118.370%0.70358%0.582SS**  trans-106.35.3-175.5-1720000114.1V1604V1602-V1604 VanDerWaalsContact C-N 3.28Å; V1602-V1604 PolarHBondContact O-N 3.47Å
1603K43.8Very low48.2Very low206 Ų206114.1 Ų114.190%0.89656%0.56SS**  trans-79.171.9175-69.1-175.3-179.9177.80111.8
1604V47.3Very low49.6Very low81 Ų81110.7 Ų110.749%0.49153%0.528SS..  trans-68.4135.7159.7178.70000107.6L1583 V1602L1583-V1604 HydrophobicContact CD2-CG1 3.67Å; V1602-V1604 VanDerWaalsContact C-N 3.28Å; V1602-V1604 PolarHBondContact O-N 3.47Å
1605S56.5Low50.9Low19 Ų19105.4 Ų105.413%0.13350%0.5CS..  trans-54.6126.9-175.7101.20000110.7E1540 A1607 L1608 N1609E1540-S1605 WeakPolarHBondContact OE1-CB 3.07Å; E1540-S1605 PolarHBondContact OE1-OG 2.77Å; S1605-A1607 PolarHBondContact O-N 2.88Å; S1605-L1608 PolarHBondContact O-N 3.06Å; S1605-L1608 WeakPolarHBondContact OG-CB 3.45Å; S1605-L1608 VanDerWaalsContact OG-CG 3.28Å; S1605-L1608 WeakPolarHBondContact OG-CG 3.5Å; S1605-L1608 PolarHBondContact OG-N 3.24Å; S1605-N1609 PolarHBondContact O-N 2.93Å
1606P59.9Low52.4Low96 Ų9694.3 Ų94.362%0.62346%0.461SS*.Hα-helixtrans-61.1-29-179.519.9-28.9000111.8N1609 Y1610P1606-N1609 PolarHBondContact O-N 3.31Å; P1606-Y1610 PolarHBondContact O-N 3.44Å
1607A61.6Low53.7Low36 Ų3686.1 Ų86.130%0.29843%0.429SS..Hα-helixtrans-71.4-41.6178.800000113.2E1540 S1605 N1609 Y1610 I1611E1540-A1607 VanDerWaalsContact CD-CB 3.45Å; E1540-A1607 HydrophobicContact CG-CB 4.07Å; E1540-A1607 WeakPolarHBondContact OE2-CB 3.42Å; S1605-A1607 PolarHBondContact O-N 2.88Å; A1607-N1609 PolarHBondContact O-N 2.88Å; A1607-Y1610 WeakPolarHBondContact O-CB 3.44Å; A1607-Y1610 PolarHBondContact O-N 3.02Å; A1607-Y1610 VanDerWaalsContact O-N 3.14Å; A1607-I1611 VanDerWaalsContact O-CG1 3.31Å; A1607-I1611 WeakPolarHBondContact O-CG1 3.49Å; A1607-I1611 PolarHBondContact O-N 3.04Å
1608L63.8Low55Low20 Ų2077.2 Ų77.211%0.10540%0.4CS..Hα-helixtrans-61.4-36.5173.2-78.9169.8000112L1539 E1540 F1543 S1605 I1611 W1612L1539-L1608 HydrophobicContact CD2-CD2 3.56Å; E1540-L1608 HydrophobicContact CG-CD2 4.42Å; E1540-L1608 HydrophobicContact CG-CG 4.16Å; F1543-L1608 HydrophobicContact CD2-CD2 4.04Å; F1543-L1608 HydrophobicContact CE2-CD2 4.02Å; S1605-L1608 PolarHBondContact O-N 3.06Å; S1605-L1608 WeakPolarHBondContact OG-CB 3.45Å; S1605-L1608 VanDerWaalsContact OG-CG 3.28Å; S1605-L1608 WeakPolarHBondContact OG-CG 3.5Å; S1605-L1608 PolarHBondContact OG-N 3.24Å; L1608-I1611 PolarHBondContact O-N 3.42Å; L1608-W1612 WeakPolarHBondContact O-CB 3.47Å; L1608-W1612 PolarHBondContact O-N 3.22Å
1609N65.7Low56.1Low65 Ų6571.7 Ų71.735%0.34838%0.384SS..Hα-helixtrans-69.4-37.4176.3-142.7-2.2000111.5S1605 P1606 A1607 W1612 Q1613S1605-N1609 PolarHBondContact O-N 2.93Å; P1606-N1609 PolarHBondContact O-N 3.31Å; A1607-N1609 PolarHBondContact O-N 2.88Å; N1609-W1612 WeakPolarHBondContact O-CB 3.31Å; N1609-W1612 PolarHBondContact O-N 3.46Å; N1609-Q1613 WeakPolarHBondContact O-CG 3.14Å; N1609-Q1613 PolarHBondContact O-N 3.36Å
1610Y66.1Low57Low79 Ų7972.8 Ų72.831%0.3138%0.381SS..Hα-helixtrans-64.8-44.7172.4-176.7-97000112.1P1606 A1607 W1612 Q1613 Y1614P1606-Y1610 PolarHBondContact O-N 3.44Å; A1607-Y1610 WeakPolarHBondContact O-CB 3.44Å; A1607-Y1610 PolarHBondContact O-N 3.02Å; A1607-Y1610 VanDerWaalsContact O-N 3.14Å; Y1610-W1612 VanDerWaalsContact C-N 3.31Å; Y1610-W1612 PolarHBondContact O-N 3.14Å; Y1610-Q1613 PolarHBondContact O-N 3.41Å; Y1610-Q1613 VanDerWaalsContact O-N 3.17Å; Y1610-Y1614 PolarHBondContact O-N 3.49Å
1611I64Low57.6Low3 Ų368.4 Ų68.42%0.01536%0.361CS..Hα-helixtrans-58.6-43.2174.6-70.9162000110.5E1540 F1543 L1547 V1575 V1579 A1607 L1608 Y1614 A1615E1540-I1611 HydrophobicContact CB-CD1 4.45Å; E1540-I1611 HydrophobicContact CG-CD1 4.41Å; F1543-I1611 HydrophobicContact CB-CD1 3.86Å; F1543-I1611 HydrophobicContact CB-CG2 3.98Å; F1543-I1611 HydrophobicContact CD2-CD1 4.31Å; F1543-I1611 HydrophobicContact CD2-CG2 4.12Å; F1543-I1611 HydrophobicContact CG-CG2 4.22Å; L1547-I1611 HydrophobicContact CD1-CG2 3.87Å; V1575-I1611 HydrophobicContact CG1-CG2 4.47Å; V1579-I1611 HydrophobicContact CG2-CG2 4.35Å; A1607-I1611 VanDerWaalsContact O-CG1 3.31Å; A1607-I1611 WeakPolarHBondContact O-CG1 3.49Å; A1607-I1611 PolarHBondContact O-N 3.04Å; L1608-I1611 PolarHBondContact O-N 3.42Å; I1611-Y1614 PolarHBondContact O-N 3.28Å; I1611-A1615 WeakPolarHBondContact O-CB 3.35Å; I1611-A1615 PolarHBondContact O-N 2.9Å
1612W66Low58Low83 Ų8368.1 Ų68.131%0.31437%0.373SS..Hα-helixtrans-59.8-45.8174.6-171.664.9000112.3V1579 L1583 L1608 N1609 Y1610 S1616V1579-W1612 HydrophobicContact CG1-CB 3.57Å; V1579-W1612 VanDerWaalsContact CG1-CD1 3.44Å; V1579-W1612 HydrophobicContact CG1-CG 3.78Å; L1583-W1612 HydrophobicContact CD1-CD2 4.41Å; L1583-W1612 HydrophobicContact CD1-CG 4.11Å; L1608-W1612 WeakPolarHBondContact O-CB 3.47Å; L1608-W1612 PolarHBondContact O-N 3.22Å; N1609-W1612 WeakPolarHBondContact O-CB 3.31Å; N1609-W1612 PolarHBondContact O-N 3.46Å; Y1610-W1612 VanDerWaalsContact C-N 3.31Å; Y1610-W1612 PolarHBondContact O-N 3.14Å; W1612-S1616 WeakPolarHBondContact O-CB 3.49Å; W1612-S1616 PolarHBondContact O-N 3.33Å
1613Q66.8Low58.2Low108 Ų10871.2 Ų71.251%0.50538%0.377SS..Hα-helixtrans-65.6-39.9178.4-72.1178.610.400111.8N1609 Y1610 S1617N1609-Q1613 WeakPolarHBondContact O-CG 3.14Å; N1609-Q1613 PolarHBondContact O-N 3.36Å; Y1610-Q1613 PolarHBondContact O-N 3.41Å; Y1610-Q1613 VanDerWaalsContact O-N 3.17Å; Q1613-S1617 VanDerWaalsContact O-CB 3.23Å; Q1613-S1617 WeakPolarHBondContact O-CB 3.43Å; Q1613-S1617 PolarHBondContact O-N 2.81Å; Q1613-S1617 PolarHBondContact O-OG 3.24Å
1614Y66.1Low58Low19 Ų1964.8 Ų64.88%0.07535%0.352CS..Hα-helixtrans-65-49.6175.7-170.3-91.7000111.5L1451 F1454 A1455 L1547 S1551 Y1610 I1611 S1616 S1617 A1618 I1624L1451-Y1614 HydrophobicContact CD2-CD1 4.12Å; L1451-Y1614 HydrophobicContact CD2-CE1 3.53Å; L1451-Y1614 HydrophobicContact CD2-CE2 4.33Å; F1454-Y1614 WeakPolarHBondContact CB-OH 3.5Å; A1455-Y1614 HydrophobicContact CB-CD2 4.26Å; A1455-Y1614 HydrophobicContact CB-CE2 3.96Å; L1547-Y1614 HydrophobicContact CB-CE1 4.49Å; L1547-Y1614 HydrophobicContact CD1-CD1 4.01Å; L1547-Y1614 HydrophobicContact CD2-CD1 4.42Å; S1551-Y1614 PolarHBondContact OG-OH 2.98Å; S1551-Y1614 VanDerWaalsContact OG-OH 3.05Å; Y1610-Y1614 PolarHBondContact O-N 3.49Å; I1611-Y1614 PolarHBondContact O-N 3.28Å; Y1614-S1616 PolarHBondContact O-N 3.27Å; Y1614-S1617 WeakPolarHBondContact CA-OG 3.28Å; Y1614-S1617 PolarHBondContact O-N 2.99Å; Y1614-S1617 PolarHBondContact O-OG 3.22Å; Y1614-A1618 VanDerWaalsContact O-CB 3.31Å; Y1614-A1618 WeakPolarHBondContact O-CB 3.37Å; Y1614-A1618 PolarHBondContact O-N 3.32Å; Y1614-I1624 HydrophobicContact CE2-CD1 4.47Å
1615A63.7Low57.7Low0 Ų066 Ų660%036%0.361CS..Hα-helixtrans-63.8-40178.200000112.5V1575 N1576 I1611 L1619V1575-A1615 HydrophobicContact CG1-CB 4.16Å; N1576-A1615 VanDerWaalsContact OD1-CB 3.28Å; N1576-A1615 WeakPolarHBondContact OD1-CB 3.34Å; I1611-A1615 WeakPolarHBondContact O-CB 3.35Å; I1611-A1615 PolarHBondContact O-N 2.9Å; A1615-L1619 PolarHBondContact O-N 3.32Å
1616S63.5Low56.7Low19 Ų1973.5 Ų73.513%0.13340%0.399CS..Hα-helixtrans-67.6-38.4174.9173.60000112.5W1612 Y1614 L1619 R1620W1612-S1616 WeakPolarHBondContact O-CB 3.49Å; W1612-S1616 PolarHBondContact O-N 3.33Å; Y1614-S1616 PolarHBondContact O-N 3.27Å; S1616-L1619 PolarHBondContact O-N 3.15Å; S1616-R1620 WeakPolarHBondContact O-CB 3.39Å; S1616-R1620 WeakPolarHBondContact O-CG 3.4Å; S1616-R1620 PolarHBondContact O-N 3.47Å
1617S63Low55.6Low27 Ų2772.8 Ų72.819%0.18941%0.409CS..Hα-helixtrans-71.2-38.6177.161.20000112.2Q1613 Y1614 L1619 R1620 C1621Q1613-S1617 VanDerWaalsContact O-CB 3.23Å; Q1613-S1617 WeakPolarHBondContact O-CB 3.43Å; Q1613-S1617 PolarHBondContact O-N 2.81Å; Q1613-S1617 PolarHBondContact O-OG 3.24Å; Y1614-S1617 WeakPolarHBondContact CA-OG 3.28Å; Y1614-S1617 PolarHBondContact O-N 2.99Å; Y1614-S1617 PolarHBondContact O-OG 3.22Å; S1617-L1619 PolarHBondContact O-N 3.18Å; S1617-R1620 PolarHBondContact O-N 3.18Å; S1617-C1621 PolarHBondContact O-N 3.24Å; S1617-C1621 VanDerWaalsContact O-N 3.09Å
1618A60.9Low54.3Low29 Ų2974.9 Ų74.924%0.2444%0.435CS..Hα-helixtrans-60.5-30.8173.100000112.9Y1614Y1614-A1618 VanDerWaalsContact O-CB 3.31Å; Y1614-A1618 WeakPolarHBondContact O-CB 3.37Å; Y1614-A1618 PolarHBondContact O-N 3.32Å
1619L56.1Low53Low74 Ų7478.9 Ų78.939%0.38746%0.459SS..Hα-helixtrans-85.1-31.3174.9-87.4160.6000114.7A1572 N1576 A1615 S1616 S1617A1572-L1619 HydrophobicContact CB-CD1 3.45Å; A1572-L1619 VanDerWaalsContact CB-CD1 3.45Å; A1572-L1619 HydrophobicContact CB-CD2 3.97Å; A1572-L1619 HydrophobicContact CB-CG 3.52Å; N1576-L1619 WeakPolarHBondContact ND2-CD1 3.27Å; A1615-L1619 PolarHBondContact O-N 3.32Å; S1616-L1619 PolarHBondContact O-N 3.15Å; S1617-L1619 PolarHBondContact O-N 3.18Å
1620R52.6Low51.7Low202 Ų20280.2 Ų80.276%0.76247%0.472SS*.Hα-helixtrans-93.5-28.4-172.1-75-175.3-172.8-173.94.4115.1S1616 S1617S1616-R1620 WeakPolarHBondContact O-CB 3.39Å; S1616-R1620 WeakPolarHBondContact O-CG 3.4Å; S1616-R1620 PolarHBondContact O-N 3.47Å; S1617-R1620 PolarHBondContact O-N 3.18Å
1621C46.7Very low50.3Low60 Ų6083.4 Ų83.441%0.40549%0.494SS..  trans-134.9115.7-171.9-610000109.7S1617 K1623S1617-C1621 PolarHBondContact O-N 3.24Å; S1617-C1621 VanDerWaalsContact O-N 3.09Å; C1621-K1623 WeakPolarHBondContact CB-O 3.25Å; C1621-K1623 PolarHBondContact O-N 3.4Å
1622G46.7Very low49Very low88 Ų8888.5 Ų88.591%0.90753%0.53SS*.SBendtrans-61.415.5163.700000114.7
1623K42.4Very low47.4Very low182 Ų18288.8 Ų88.879%0.79154%0.541SS*.SBendtrans-157.2114174.4-68.6-171.6175.9177.30108.7C1621C1621-K1623 WeakPolarHBondContact CB-O 3.25Å; C1621-K1623 PolarHBondContact O-N 3.4Å
1624I39.7Very low45.7Very low71 Ų7196.7 Ų96.736%0.36457%0.567SS.*PPolyproline II helixtrans-74.1137.9176.8-60.4168.6000109.4Y1614Y1614-I1624 HydrophobicContact CE2-CD1 4.47Å
1625P40.1Very low44.7Very low105 Ų105100.6 Ų100.668%0.68259%0.591SS**PPolyproline II helixtrans-77137.5-178.7-1.117.7000112.7
1626L35.6Very low43.7Very low177 Ų177105.9 Ų105.993%0.92762%0.622SS**PPolyproline II helixtrans-78.3119.2173.4-78.3136.2000111.3
1627G37.1Very low42.6Very low81 Ų81110.7 Ų110.784%0.83565%0.649SS**  trans133.7114.5153.700000117.6
1628G34.8Very low41.4Very low81 Ų81115.6 Ų115.684%0.83568%0.677SS**  trans10589.8146.800000117.6
1629V35.7Very low40.2Very low103 Ų103121.1 Ų121.162%0.62470%0.704SS**  trans-125.6137.8156.1-177.60000108.3
1630P38.5Very low39.1Very low94 Ų94124.2 Ų124.261%0.6173%0.725SS**  trans-70.7151.4-174.1-1328.7000114S1632 T1633P1630-S1632 PolarHBondContact O-N 2.68Å; P1630-T1633 PolarHBondContact O-OG1 2.67Å
1631D37.5Very low38.2Very low146 Ų146118.6 Ų118.678%0.78172%0.722SS**G310 helixtrans-59.7-11.8-175.1-77.6-38.3000116.2T1633D1631-T1633 PolarHBondContact O-N 2.74Å
1632S35Very low37.5Very low110 Ų110123.2 Ų123.277%0.76975%0.747SS**G310 helixtrans-81.710-174.3650000115.2P1630P1630-S1632 PolarHBondContact O-N 2.68Å
1633T32.3Very low36.8Very low89 Ų89126.1 Ų126.155%0.54673%0.733SS.*G310 helixtrans-133.216.9-175.635.10000113.8P1630 D1631P1630-T1633 PolarHBondContact O-OG1 2.67Å; D1631-T1633 PolarHBondContact O-N 2.74Å
1634R32.6Very low36.2Very low274 Ų274121 Ų121100%1.03473%0.728SS**  trans-83.60154.5-83.6-176.3174176.7-1.1108.7

Retrieved 1,634 of 1,634 residues in 600 ms (Link to these results)

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