A0A3Q0KLQ9_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A3Q0KLQ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,282 aa.

>A0A3Q0KLQ9_SCHMA|A0A3Q0KLQ9
MLVHIPEPVQEKIIYYSFPQRDSDIYTYASFHSKTDKTRDKIPYYQGLEYFLNNCVENVIQIGFHLTGSVRQQPATCISETEGNKFKVSITFDRCKIISVCCDCGNKGLSWCPHVVALALFRIRQPHLVDYRSPISALFSYSIDIYIYVYIDALVRMNRSQLQKFAQYLIASHPNKILPSAQQLADQLLQPESNINKTSGAPDPTAGGSLQDVAAWYLDEAGVREQLRVELTNLASNGLYGTNHNVNNLRLSSGGRCNSPNGVSNFNSAGQQQQSNTTNRSSTSSSFMQRSNNSHRSYPNSSTSLGIDSGMGSQNDIDYNDSTEVGLDWLLRYRRLTLNQNLLIGGGIHSSIGGNNNTCTNSYTLHGLDLAYNNYIPLSIDHSQSSSTASNNTTTNLNTNNNHNNNNDHNNNHTNNNRLYYSSTSPFHYYYYYWPNSIDTQFDSNLHNCDNQLNHNGNNGNGTQIPAMFAKVRELLAKRDSNGPRLLSLITEELLNCSKLPVIKSRRNQRNATIDVPNRLQTIATPRISHGQQSLNDRQYSSETLSANSVNNGYNNSSSSLNQSPPWTVRLWEEVCLLWTCVVLSPDCSVEAKRQWRYRFLTWARANRCPRDESYSIPSHFLTSIHELNDVDDDVPGQNQQTQQHQPSCQQSTRPCRRASVFRLPIEASYMSWDDVWWNHLSIHDTKLNKHEHEHREDANGGRQNHSTNISIDESSSDCGRIFRRPSSITPRRSIGFNNRSFQPNSSPRECQCPYCDHSGPLNEPFPLLCLRVAALRSNGYLSQALQLAVFISQRLLRSVKMKTSLAATSIINNVQRSPPQTFSSHTSWNNNCHPNDIVARRMLFNTPPNGQTLRVNGMSSHNVMHNSGSRYLSSPNMPPSPSMIPNHGKFSPSNRLTSPRPASLSPPVNVTHHSRPVSVRRHGLSPNSNPSPGPSCTNHQSIIINNNNNSSGSSNSSNNNNTSNNSNNNCWSNQPSYVYKSTSCQQYVNQSHPFSSPHCSPIPPASISPVSFHNPYQPTTTNHHNYHKHIPHTNSPYSCPPPPHGIGSSVGCANGSSNNNIMMMMHPSHHNRSINSPTPINRHVISRPFPSSYPTNPNVFGGEFFPITEIDINCGLISTNCPSHTDVGWIGLPGRPILCLVECLLDAAAIVVEAANHQTPPIALPSWGHMEKASFYLCLAVKISLLSLFQQRRLVGSISRLLACQHQETRLLTLLNTIPKDVTTALTMCEILCQLLGPPITSSTSPSSLSSSSSSSLRILNKFDYHSTALMNLWWWSSLGIIVHSDTYPIHSVAEFVLNYLLDTQKINQLVSFNTCWTYPFNNNNNGGSSSNSSCSSNSSSTSTNSNNNNISSIRIDDMVFTLVTRAMRFSVLENYSLMDNSNMMGTHLTRSNSSPQLLLNSNNNSNNNNNNVNINGNNQGCLHSQRMNYNHHGCWDYYNNPSNRVCSGGGGSVETALAVNTEVSDQEFGLPPLTTATASTGTTIITGNMMDSLPFAGNMYMNANYDNHQRYSHPHSSSNNNNTSFRWDQSQQQQQQQPVSDYDRCMISIPNVSVPPLPSVFSMSTHNCLKFNNNNSSNNNNPPVYPMFNLQNLDSSRWFSSPLSSVTTTSPPTVGVPTSITTSNNPIHSTLNNSNNRFATIDNNQLIVGNNMNNNNLSLNQNPQYRRCLETLKLRQTRLAVALIRVSKSHIHRLDQIVQICNQNIHSAVSLLAISQQVFAEAVGWKLRSPVNRKPNNTNLLESAYSECGCLLNSNPPPGLILPTATNPTIESFYTRDRIFLISTAFHLALIVVLRTLSRSVHWRRREMLAWAVTTALHVGPPACLYLIYHWSSYVNPREAVSWLAPALLTAVGTLDVNTPTNVTSRMSKSLSTNKLCPNDQSNSSTIDNPMCFDHSSLFFGLSNWDDDSLNGGCTSSGLMMNMNPTPDTNYSICPTWYSFCPTSFTSRSHSHSIIMAAQLLNTAVPYSKASREQITNAVRHMALQAAAKDPINCSLPALNLSVKDPIAFDAIYRLVLNSAETGGLGPIQLFSLARYMDNCGWTWRAFPFALHATRLFVLSTTQESHPVGNDVLWACLLGHRLGPGALQEILNHVIRNIHCPTLLTDILHRCRSIPCGVHINSTNCNINMNNNNINGIDSSSSSSSMMMMNNNMTNSIPSVGRGNSCATHFCNPTPHYVNNNNNGTGVSGCTGKMLSLDRPPLKGLLDAAINGFVMATHMRLANISPRQYAEFVDFLTRARDTFHLLRPDGPLQFRSLVECLRQTYRGKRKLVSLLSERFG
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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
1M23.5Very low48.7Very low242 Ų242110.4 Ų110.4100%1.19258%0.582SS**  0122.20-68.9169.3172.200107.9
2L29.2Very low50.1Low178 Ų178112.3 Ų112.393%0.93258%0.582SS**  trans-93.3117.6162.9-85.4162.4000106.8H4L2-H4 PolarHBondContact O-N 2.88Å
3V36.5Very low51.2Low124 Ų124109.5 Ų109.575%0.75257%0.567SS**  trans-70121.8172.1176.90000107I5V3-I5 VanDerWaalsContact C-N 3.27Å; V3-I5 PolarHBondContact O-N 2.9Å
4H48.1Very low52.7Low165 Ų165101.9 Ų101.976%0.76453%0.528SS*.  trans-74.982.9178.7-161.7-59.9000109.4L2 P6L2-H4 PolarHBondContact O-N 2.88Å; H4-P6 WeakPolarHBondContact O-CD 3.32Å
5I53.2Low54.3Low70 Ų70100.8 Ų100.836%0.35952%0.515SS..  trans-57.1121.7178.6-56.1-179.7000108.1V3 V9 Q10 I13V3-I5 VanDerWaalsContact C-N 3.27Å; V3-I5 PolarHBondContact O-N 2.9Å; I5-V9 HydrophobicContact CG2-CB 3.74Å; I5-V9 HydrophobicContact CG2-CG1 3.67Å; I5-Q10 HydrophobicContact CB-CG 3.9Å; I5-Q10 HydrophobicContact CG2-CG 3.62Å; I5-Q10 PolarHBondContact O-NE2 3.19Å; I5-I13 HydrophobicContact CG2-CD1 4.47Å
6P53.3Low55.8Low76 Ų76103.4 Ų103.449%0.49452%0.518SS..  trans-60.1145178.8-24.534.7000111.4H4 V9 Q10H4-P6 WeakPolarHBondContact O-CD 3.32Å; P6-V9 HydrophobicContact CB-CG2 4.29Å; P6-V9 HydrophobicContact CG-CG2 4.41Å; P6-V9 WeakPolarHBondContact O-CA 3.41Å; P6-V9 WeakPolarHBondContact O-CB 3.3Å; P6-V9 PolarHBondContact O-N 2.76Å; P6-Q10 PolarHBondContact O-N 2.96Å
7E53.9Low57Low101 Ų10198.3 Ų98.347%0.47249%0.494SS..Hα-helixtrans-51.8-45.9-178.1174.6151.8-118.600113.4V9 Q10 E11 S133E7-V9 PolarHBondContact O-N 2.87Å; E7-Q10 WeakPolarHBondContact O-CA 3.43Å; E7-Q10 WeakPolarHBondContact O-CB 3.34Å; E7-Q10 PolarHBondContact O-N 3.44Å; E7-E11 HydrophobicContact CG-CG 4.42Å; E7-E11 WeakPolarHBondContact O-CG 3.25Å; E7-E11 PolarHBondContact O-N 3.28Å; E7-S133 WeakPolarHBondContact CG-OG 3.41Å; E7-S133 VanDerWaalsContact OE1-CB 3.28Å; E7-S133 WeakPolarHBondContact OE1-CB 3.46Å; E7-S133 PolarHBondContact OE1-OG 2.81Å
8P57.6Low58.5Low76 Ų7692.9 Ų92.949%0.49447%0.467SS..Hα-helixtrans-63.6-12.6174.7-24.235.3000115.7K12P8-K12 WeakPolarHBondContact O-CD 3.29Å; P8-K12 VanDerWaalsContact O-CG 3.28Å; P8-K12 WeakPolarHBondContact O-CG 3.29Å
9V53.7Low59.8Low69 Ų6988.3 Ų88.342%0.41844%0.444SS..Hα-helixtrans-93.2-37.5172.1-177.90000110.3I5 P6 E7 K12 I13I5-V9 HydrophobicContact CG2-CB 3.74Å; I5-V9 HydrophobicContact CG2-CG1 3.67Å; P6-V9 HydrophobicContact CB-CG2 4.29Å; P6-V9 HydrophobicContact CG-CG2 4.41Å; P6-V9 WeakPolarHBondContact O-CA 3.41Å; P6-V9 WeakPolarHBondContact O-CB 3.3Å; P6-V9 PolarHBondContact O-N 2.76Å; E7-V9 PolarHBondContact O-N 2.87Å; V9-K12 PolarHBondContact O-N 2.91Å; V9-I13 HydrophobicContact CG1-CD1 4.22Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 2.94Å
10Q60.7Low60.8Low38 Ų3890.1 Ų90.118%0.17845%0.451CS..Hα-helixtrans-60.3-50170.6-59.8-16836.500110.5I5 P6 E7 K12 I13 I14 P134I5-Q10 HydrophobicContact CB-CG 3.9Å; I5-Q10 HydrophobicContact CG2-CG 3.62Å; I5-Q10 PolarHBondContact O-NE2 3.19Å; P6-Q10 PolarHBondContact O-N 2.96Å; E7-Q10 WeakPolarHBondContact O-CA 3.43Å; E7-Q10 WeakPolarHBondContact O-CB 3.34Å; E7-Q10 PolarHBondContact O-N 3.44Å; Q10-K12 VanDerWaalsContact C-N 3.28Å; Q10-K12 PolarHBondContact O-N 3.33Å; Q10-I13 WeakPolarHBondContact O-CB 3.3Å; Q10-I13 PolarHBondContact O-N 2.91Å; Q10-I13 VanDerWaalsContact O-N 3.09Å; Q10-I14 HydrophobicContact CB-CD1 4.29Å; Q10-I14 VanDerWaalsContact O-CB 3.3Å; Q10-I14 WeakPolarHBondContact O-CB 3.18Å; Q10-I14 WeakPolarHBondContact O-CD1 3.41Å; Q10-I14 WeakPolarHBondContact O-CG1 3.44Å; Q10-I14 PolarHBondContact O-N 3.13Å; Q10-P134 VanDerWaalsContact OE1-CD 3.28Å
11E65.7Low61.7Low75 Ų7593.3 Ų93.335%0.3546%0.458SS..Hα-helixtrans-53.4-43175.1-71.7-179.7147.900112.3E7 I14 Y15E7-E11 HydrophobicContact CG-CG 4.42Å; E7-E11 WeakPolarHBondContact O-CG 3.25Å; E7-E11 PolarHBondContact O-N 3.28Å; E11-I14 CarbonylContact O-C 3.55Å; E11-I14 PolarHBondContact O-N 2.69Å; E11-Y15 WeakPolarHBondContact O-CB 3.2Å; E11-Y15 PolarHBondContact O-N 3.43Å
12K65.4Low64.6Low133 Ų13383.5 Ų83.558%0.57841%0.41SS*.Hα-helixtrans-65.9-42.4176.5-75.8173.3-175.2175.50112.5P8 V9 Q10 I14 Y15 Y16P8-K12 WeakPolarHBondContact O-CD 3.29Å; P8-K12 VanDerWaalsContact O-CG 3.28Å; P8-K12 WeakPolarHBondContact O-CG 3.29Å; V9-K12 PolarHBondContact O-N 2.91Å; Q10-K12 VanDerWaalsContact C-N 3.28Å; Q10-K12 PolarHBondContact O-N 3.33Å; K12-I14 VanDerWaalsContact C-N 3.31Å; K12-I14 PolarHBondContact O-N 2.77Å; K12-Y15 PolarHBondContact O-N 2.85Å; K12-Y16 WeakPolarHBondContact O-CD2 3.49Å; K12-Y16 PolarHBondContact O-N 3.12Å
13I64.9Low67Low76 Ų7677.6 Ų77.639%0.3938%0.384SS..Hα-helixtrans-60.7-45174.5-68.2163.1000110I5 V9 Q10 Y16 S17 F64I5-I13 HydrophobicContact CG2-CD1 4.47Å; V9-I13 HydrophobicContact CG1-CD1 4.22Å; V9-I13 WeakPolarHBondContact O-CG1 3.29Å; V9-I13 PolarHBondContact O-N 2.94Å; Q10-I13 WeakPolarHBondContact O-CB 3.3Å; Q10-I13 PolarHBondContact O-N 2.91Å; Q10-I13 VanDerWaalsContact O-N 3.09Å; I13-Y16 PolarHBondContact O-N 3.19Å; I13-S17 VanDerWaalsContact O-CB 3.25Å; I13-S17 WeakPolarHBondContact O-CB 3.33Å; I13-S17 PolarHBondContact O-N 3.09Å; I13-S17 PolarHBondContact O-OG 3.36Å; I13-F64 HydrophobicContact CG2-CZ 4.27Å
14I72.3Confident69.2Low3 Ų373.1 Ų73.12%0.01536%0.356CS..Hα-helixtrans-64.2-38.1178.4-73.8163000111.9Q10 E11 K12 Q61 G63 F64 Y131 P134Q10-I14 HydrophobicContact CB-CD1 4.29Å; Q10-I14 VanDerWaalsContact O-CB 3.3Å; Q10-I14 WeakPolarHBondContact O-CB 3.18Å; Q10-I14 WeakPolarHBondContact O-CD1 3.41Å; Q10-I14 WeakPolarHBondContact O-CG1 3.44Å; Q10-I14 PolarHBondContact O-N 3.13Å; E11-I14 CarbonylContact O-C 3.55Å; E11-I14 PolarHBondContact O-N 2.69Å; K12-I14 VanDerWaalsContact C-N 3.31Å; K12-I14 PolarHBondContact O-N 2.77Å; I14-Q61 PolarHBondContact O-NE2 2.95Å; I14-Q61 VanDerWaalsContact O-NE2 3.08Å; I14-G63 WeakPolarHBondContact CG2-O 3.45Å; I14-F64 HydrophobicContact CG1-CE2 4.4Å; I14-Y131 HydrophobicContact CG2-CD1 4.2Å; I14-P134 HydrophobicContact CD1-CG 3.99Å
15Y77.3Confident71Confident86 Ų8665.3 Ų65.334%0.33732%0.319SS..Hα-helixtrans-67-48.3176.3-178.4-87.7000111.9E11 K12 S17 R122 P126 Y131E11-Y15 WeakPolarHBondContact O-CB 3.2Å; E11-Y15 PolarHBondContact O-N 3.43Å; K12-Y15 PolarHBondContact O-N 2.85Å; Y15-S17 VanDerWaalsContact C-N 3.35Å; Y15-S17 PolarHBondContact O-N 3.5Å; Y15-R122 PolarHBondContact O-NH2 3.16Å; Y15-P126 HydrophobicContact CE2-CB 3.85Å; Y15-P126 HydrophobicContact CE2-CG 4.5Å; Y15-P126 WeakPolarHBondContact OH-CG 3.4Å; Y15-Y131 HydrophobicContact CD2-CE1 4.21Å; Y15-Y131 AromaticContact CD2-CE2 3.93Å; Y15-Y131 HydrophobicContact CD2-CE2 3.93Å; Y15-Y131 AromaticContact CD2-CZ 3.63Å; Y15-Y131 HydrophobicContact CE2-CE2 4.35Å
16Y77.3Confident72.5Confident142 Ų14265.3 Ų65.356%0.55732%0.316SS*.Hα-helixtrans-80.2-11.1-177.7-71.5-63.3000114.4K12 I13 F18 C95K12-Y16 WeakPolarHBondContact O-CD2 3.49Å; K12-Y16 PolarHBondContact O-N 3.12Å; I13-Y16 PolarHBondContact O-N 3.19Å; Y16-F18 VanDerWaalsContact C-N 3.35Å; Y16-F18 PolarHBondContact O-N 3.4Å; Y16-C95 PolarHBondContact O-SG 3.35Å
17S75.7Confident73.8Confident17 Ų1761.9 Ų61.912%0.11929%0.293CS..THydrogen-bonded Turntrans-79.3-9.6-179-69.20000115.1I13 Y15 F64 F92 C95I13-S17 VanDerWaalsContact O-CB 3.25Å; I13-S17 WeakPolarHBondContact O-CB 3.33Å; I13-S17 PolarHBondContact O-N 3.09Å; I13-S17 PolarHBondContact O-OG 3.36Å; Y15-S17 VanDerWaalsContact C-N 3.35Å; Y15-S17 PolarHBondContact O-N 3.5Å; S17-F64 WeakPolarHBondContact OG-CE1 3.4Å; S17-F92 WeakPolarHBondContact O-CD2 3.08Å; S17-C95 WeakPolarHBondContact O-CA 3.39Å; S17-C95 PolarHBondContact O-N 3.23Å
18F84.4Confident74.9Confident2 Ų257.3 Ų57.31%0.00927%0.272CS..SBendtrans-81.4149.7174.8-157.5-97.3000111.3Y16 L66 I90 F92 I97 R122 I123Y16-F18 VanDerWaalsContact C-N 3.35Å; Y16-F18 PolarHBondContact O-N 3.4Å; F18-L66 HydrophobicContact CE2-CB 4.46Å; F18-L66 HydrophobicContact CE2-CD2 3.73Å; F18-L66 HydrophobicContact CZ-CD2 3.85Å; F18-I90 HydrophobicContact CE2-CG2 4.08Å; F18-I90 HydrophobicContact CZ-CG2 4.37Å; F18-F92 HydrophobicContact CB-CD2 4.37Å; F18-F92 HydrophobicContact CB-CE2 4.43Å; F18-F92 HydrophobicContact CD2-CB 4.16Å; F18-F92 AromaticContact CD2-CD1 3.53Å; F18-F92 HydrophobicContact CD2-CD1 3.53Å; F18-F92 AromaticContact CD2-CD2 3.93Å; F18-F92 HydrophobicContact CD2-CD2 3.93Å; F18-F92 AromaticContact CD2-CE1 3.87Å; F18-F92 HydrophobicContact CD2-CE1 3.87Å; F18-F92 HydrophobicContact CD2-CE2 4.24Å; F18-F92 AromaticContact CD2-CG 3.57Å; F18-F92 HydrophobicContact CD2-CG 3.57Å; F18-F92 HydrophobicContact CD2-CZ 4.23Å; F18-F92 HydrophobicContact CE2-CB 4.38Å; F18-F92 AromaticContact CE2-CD1 3.77Å; F18-F92 HydrophobicContact CE2-CD1 3.77Å; F18-F92 HydrophobicContact CE2-CE1 4.33Å; F18-F92 HydrophobicContact CE2-CG 4.07Å; F18-I97 HydrophobicContact CE2-CD1 4.47Å; F18-I97 HydrophobicContact CE2-CG1 4.32Å; F18-I97 HydrophobicContact CZ-CD1 3.92Å; F18-I97 HydrophobicContact CZ-CG1 4.25Å; F18-R122 HydrophobicContact CB-CG 4.48Å; F18-R122 HydrophobicContact CD1-CB 4.19Å; F18-R122 HydrophobicContact CD1-CG 3.42Å; F18-R122 VanDerWaalsContact CD1-CG 3.42Å; F18-R122 HydrophobicContact CD2-CG 3.9Å; F18-R122 HydrophobicContact CE1-CB 3.76Å; F18-R122 HydrophobicContact CE1-CG 3.47Å; F18-R122 VanDerWaalsContact CE1-CG 3.47Å; F18-R122 HydrophobicContact CE2-CG 3.95Å; F18-R122 HydrophobicContact CG-CG 3.66Å; F18-R122 HydrophobicContact CZ-CB 3.97Å; F18-R122 HydrophobicContact CZ-CG 3.74Å; F18-I123 HydrophobicContact CD1-CG1 4.24Å; F18-I123 HydrophobicContact CE1-CG1 4.05Å
19P83.7Confident75.9Confident4 Ų453.8 Ų53.83%0.02625%0.249CC..  trans-52.5143.8171.1-24.529.4000113.4C95 I97 I123 W216P19-C95 WeakPolarHBondContact CG-O 3.42Å; P19-I97 HydrophobicContact CG-CD1 4.36Å; P19-I97 HydrophobicContact CG-CG1 4Å; P19-I123 WeakPolarHBondContact O-CG1 3.49Å; P19-W216 HydrophobicContact CB-CH2 3.59Å; P19-W216 HydrophobicContact CB-CZ2 4.23Å; P19-W216 HydrophobicContact CB-CZ3 4.44Å; P19-W216 HydrophobicContact CG-CH2 3.42Å; P19-W216 VanDerWaalsContact CG-CH2 3.42Å; P19-W216 HydrophobicContact CG-CZ2 4.19Å; P19-W216 HydrophobicContact CG-CZ3 3.86Å
20Q79.9Confident76.7Confident124 Ų12450.7 Ų50.758%0.57923%0.231SC*.  trans-1091.1-173.7-61.2179400114.4
21R80.1Confident76.9Confident158 Ų15849.4 Ų49.460%0.59622%0.224SC*.  trans-133.6124.8-173.6-54.8-172.4-170.492.13.1113.7S23 D24R21-S23 WeakPolarHBondContact CB-OG 3.47Å; R21-S23 PolarHBondContact O-N 3.3Å; R21-S23 VanDerWaalsContact O-N 3.11Å; R21-D24 IonicContact NH1-OD2 2.8Å; R21-D24 PolarHBondContact O-N 3.2Å
22D84.1Confident76.4Confident36 Ų3649 Ų4919%0.19322%0.222CC..Hα-helixtrans-49-33.2166.3-77.328000113.1D24 I25 Y26 Y44 L120 I123 R124D22-D24 PolarHBondContact O-N 2.98Å; D22-D24 VanDerWaalsContact O-N 3.12Å; D22-I25 PolarHBondContact O-N 2.86Å; D22-Y26 WeakPolarHBondContact O-CB 3.41Å; D22-Y26 PolarHBondContact O-N 3.19Å; D22-Y44 PolarHBondContact OD2-OH 3.22Å; D22-L120 HydrophobicContact CB-CD2 4.36Å; D22-I123 WeakPolarHBondContact OD1-CG2 3.38Å; D22-R124 IonicContact OD1-NE 3.43Å; D22-R124 IonicContact OD2-CZ 3.62Å; D22-R124 VanDerWaalsContact OD2-CZ 3.22Å; D22-R124 IonicContact OD2-NE 2.69Å; D22-R124 PolarHBondContact OD2-NE 3.15Å; D22-R124 IonicContact OD2-NH2 3.19Å; D22-R124 PolarHBondContact OD2-NH2 3.38Å
23S80.3Confident75.4Confident55 Ų5544 Ų4439%0.38520%0.204SC..Hα-helixtrans-57-28.1178.461.90000113.8R21 T27 K478R21-S23 WeakPolarHBondContact CB-OG 3.47Å; R21-S23 PolarHBondContact O-N 3.3Å; R21-S23 VanDerWaalsContact O-N 3.11Å; S23-T27 PolarHBondContact O-N 3.18Å; S23-T27 VanDerWaalsContact O-N 3.16Å; S23-T27 PolarHBondContact O-OG1 3.1Å; S23-K478 PolarHBondContact O-NZ 2.68Å
24D81.4Confident74.4Confident30 Ų3046.4 Ų46.416%0.1621%0.212CC..Hα-helixtrans-93.8-36-171.4-55.9-22.4000109.4R21 D22 T27 Y28 W216 K478R21-D24 IonicContact NH1-OD2 2.8Å; R21-D24 PolarHBondContact O-N 3.2Å; D22-D24 PolarHBondContact O-N 2.98Å; D22-D24 VanDerWaalsContact O-N 3.12Å; D24-T27 VanDerWaalsContact O-CB 3.3Å; D24-T27 WeakPolarHBondContact O-CB 3.14Å; D24-T27 PolarHBondContact O-N 3.14Å; D24-T27 VanDerWaalsContact O-N 3.12Å; D24-Y28 PolarHBondContact O-N 3.3Å; D24-W216 HydrophobicContact CB-CH2 3.83Å; D24-W216 HydrophobicContact CB-CZ2 3.61Å; D24-K478 IonicContact OD1-NZ 3.76Å; D24-K478 PolarHBondContact OD1-NZ 2.84Å
25I86.2Confident72.8Confident0 Ų050.1 Ų50.10%024%0.235CC..Hα-helixtrans-59.8-45.9163.6-52.1-51.9000111D22 T27 Y28 A29 Y44 I97 W111 V116 A119 I123 W216D22-I25 PolarHBondContact O-N 2.86Å; I25-T27 PolarHBondContact O-N 3.39Å; I25-Y28 PolarHBondContact O-N 3.42Å; I25-A29 WeakPolarHBondContact O-CB 3.18Å; I25-A29 PolarHBondContact O-N 3.01Å; I25-Y44 HydrophobicContact CB-CE2 4.44Å; I25-Y44 HydrophobicContact CG2-CD2 4.37Å; I25-Y44 HydrophobicContact CG2-CE2 4.3Å; I25-I97 HydrophobicContact CD1-CD1 3.83Å; I25-W111 HydrophobicContact CD1-CH2 4.31Å; I25-W111 HydrophobicContact CD1-CZ3 4.11Å; I25-W111 HydrophobicContact CG2-CZ3 4.24Å; I25-V116 HydrophobicContact CG2-CG1 4.21Å; I25-V116 HydrophobicContact CG2-CG2 4.45Å; I25-A119 HydrophobicContact CD1-CB 3.92Å; I25-A119 HydrophobicContact CG1-CB 4.3Å; I25-A119 HydrophobicContact CG2-CB 4.32Å; I25-I123 HydrophobicContact CD1-CD1 4.13Å; I25-I123 HydrophobicContact CG1-CD1 3.52Å; I25-W216 HydrophobicContact CD1-CH2 4.33Å; I25-W216 HydrophobicContact CD1-CZ3 4.22Å
26Y85.2Confident71Confident71 Ų7150.4 Ų50.428%0.27824%0.242SC..Hα-helixtrans-57.3-37.1173.4177.2-94.6000111.8D22 Y28 S30 Y44D22-Y26 WeakPolarHBondContact O-CB 3.41Å; D22-Y26 PolarHBondContact O-N 3.19Å; Y26-Y28 PolarHBondContact O-N 3.1Å; Y26-S30 WeakPolarHBondContact O-CB 3.23Å; Y26-S30 PolarHBondContact O-N 3.07Å; Y26-S30 VanDerWaalsContact O-N 3.08Å; Y26-S30 PolarHBondContact O-OG 3.28Å; Y26-Y44 VanDerWaalsContact CA-CD2 3.42Å; Y26-Y44 AromaticContact CD2-CD1 3.64Å; Y26-Y44 HydrophobicContact CD2-CD1 3.64Å; Y26-Y44 HydrophobicContact CD2-CD2 4.02Å; Y26-Y44 HydrophobicContact CD2-CE1 4.06Å; Y26-Y44 HydrophobicContact CD2-CE2 4.39Å; Y26-Y44 AromaticContact CD2-CG 3.6Å; Y26-Y44 HydrophobicContact CD2-CG 3.6Å; Y26-Y44 HydrophobicContact CE2-CD1 4.34Å; Y26-Y44 HydrophobicContact CE2-CG 4.47Å; Y26-Y44 HydrophobicContact CG-CD2 4.41Å; Y26-Y44 HydrophobicContact CG-CG 4.42Å
27T79.3Confident69.3Low4 Ų453.8 Ų53.83%0.02526%0.26CS..Hα-helixtrans-61.7-46.9178.4-55.70000110.6S23 D24 I25 S30 K471 L475 K478S23-T27 PolarHBondContact O-N 3.18Å; S23-T27 VanDerWaalsContact O-N 3.16Å; S23-T27 PolarHBondContact O-OG1 3.1Å; D24-T27 VanDerWaalsContact O-CB 3.3Å; D24-T27 WeakPolarHBondContact O-CB 3.14Å; D24-T27 PolarHBondContact O-N 3.14Å; D24-T27 VanDerWaalsContact O-N 3.12Å; I25-T27 PolarHBondContact O-N 3.39Å; T27-S30 PolarHBondContact O-OG 2.55Å; T27-K471 WeakPolarHBondContact O-CE 3.23Å; T27-K471 PolarHBondContact O-NZ 3.32Å; T27-L475 HydrophobicContact CG2-CD2 3.87Å; T27-K478 HydrophobicContact CG2-CD 4.27Å; T27-K478 PolarHBondContact OG1-NZ 3.48Å
28Y78.5Confident67.9Low4 Ų455.8 Ų55.82%0.01627%0.271CS..Hα-helixtrans-81-29.4-177.7-77.2-84.2000114.3D24 I25 Y26 F31 W111 W216 L475 D480 N482D24-Y28 PolarHBondContact O-N 3.3Å; I25-Y28 PolarHBondContact O-N 3.42Å; Y26-Y28 PolarHBondContact O-N 3.1Å; Y28-F31 HydrophobicContact CD1-CE2 4.07Å; Y28-F31 HydrophobicContact CE1-CE2 4.38Å; Y28-F31 WeakPolarHBondContact O-CD2 3.47Å; Y28-W111 HydrophobicContact CG-CZ2 4.02Å; Y28-W216 HydrophobicContact CD2-CB 4.27Å; Y28-W216 HydrophobicContact CD2-CD2 4.1Å; Y28-W216 HydrophobicContact CD2-CE3 4.07Å; Y28-W216 HydrophobicContact CD2-CG 4.22Å; Y28-W216 HydrophobicContact CE1-CB 3.98Å; Y28-W216 HydrophobicContact CE2-CB 3.52Å; Y28-W216 AromaticContact CE2-CD1 3.91Å; Y28-W216 AromaticContact CE2-CD2 3.81Å; Y28-W216 HydrophobicContact CE2-CD2 3.81Å; Y28-W216 HydrophobicContact CE2-CE3 4.25Å; Y28-W216 AromaticContact CE2-CG 3.5Å; Y28-W216 HydrophobicContact CE2-CG 3.5Å; Y28-W216 VanDerWaalsContact CE2-CG 3.5Å; Y28-W216 AromaticContact CZ-CG 3.87Å; Y28-W216 WeakPolarHBondContact OH-CB 3.35Å; Y28-L475 HydrophobicContact CE1-CD2 4.44Å; Y28-L475 HydrophobicContact CE2-CD2 4.38Å; Y28-L475 WeakPolarHBondContact OH-CD2 3.27Å; Y28-D480 PolarHBondContact OH-OD1 3.1Å; Y28-D480 PolarHBondContact OH-OD2 3.14Å; Y28-N482 HydrophobicContact CE1-CB 4.44Å; Y28-N482 WeakPolarHBondContact OH-CB 3.36Å; Y28-N482 PolarHBondContact OH-ND2 2.91Å
29A77.6Confident66.3Low2 Ų263.1 Ų63.12%0.01730%0.299CS..Hα-helixtrans-74.8-20.8174.900000114.4I25 F31 Y44 V116I25-A29 WeakPolarHBondContact O-CB 3.18Å; I25-A29 PolarHBondContact O-N 3.01Å; A29-F31 PolarHBondContact O-N 3.43Å; A29-Y44 HydrophobicContact CB-CD2 4.25Å; A29-V116 HydrophobicContact CB-CG2 3.61Å
30S71.4Confident64.7Low5 Ų568 Ų684%0.03533%0.325CS..THydrogen-bonded Turntrans-95.536.6-176.662.70000114.8Y26 T27 H32 K471Y26-S30 WeakPolarHBondContact O-CB 3.23Å; Y26-S30 PolarHBondContact O-N 3.07Å; Y26-S30 VanDerWaalsContact O-N 3.08Å; Y26-S30 PolarHBondContact O-OG 3.28Å; T27-S30 PolarHBondContact O-OG 2.55Å; S30-H32 PolarHBondContact O-N 3.33Å; S30-K471 PolarHBondContact O-NZ 3.5Å; S30-K471 PolarHBondContact OG-NZ 3.44Å
31F64.4Low63.7Low10 Ų1067.9 Ų67.94%0.04432%0.323CS..  trans-74.6-8.7172.7-97.4-107.3000114.5Y28 A29 L109 L218 K471 L475 L486Y28-F31 HydrophobicContact CD1-CE2 4.07Å; Y28-F31 HydrophobicContact CE1-CE2 4.38Å; Y28-F31 WeakPolarHBondContact O-CD2 3.47Å; A29-F31 PolarHBondContact O-N 3.43Å; F31-L109 HydrophobicContact CB-CD1 3.32Å; F31-L109 HydrophobicContact CD1-CD1 3.75Å; F31-L109 HydrophobicContact CG-CD1 3.78Å; F31-L218 HydrophobicContact CE1-CD1 3.92Å; F31-L218 HydrophobicContact CE2-CD1 4.34Å; F31-L218 HydrophobicContact CZ-CD1 3.55Å; F31-K471 HydrophobicContact CD1-CG 4.17Å; F31-K471 HydrophobicContact CD2-CD 4.45Å; F31-K471 HydrophobicContact CD2-CG 4.14Å; F31-K471 HydrophobicContact CE1-CG 4.02Å; F31-K471 HydrophobicContact CE2-CG 3.98Å; F31-K471 HydrophobicContact CG-CG 4.24Å; F31-K471 HydrophobicContact CZ-CG 3.92Å; F31-L475 HydrophobicContact CZ-CD1 4.14Å; F31-L486 HydrophobicContact CE1-CD1 4.06Å; F31-L486 HydrophobicContact CE1-CD2 3.63Å; F31-L486 HydrophobicContact CE1-CG 4.49Å; F31-L486 HydrophobicContact CZ-CD2 3.95Å
32H54.6Low63.2Low67 Ų6762 Ų6231%0.3130%0.302SS..SBendtrans-78.5151.1177.7-68.988.5000112.1S30 K34S30-H32 PolarHBondContact O-N 3.33Å; H32-K34 PolarHBondContact O-N 2.89Å
33S44.1Very low62.9Low28 Ų2860.7 Ų60.720%0.19630%0.296CS..  trans-63.9125.3-172.2-175.60000112.5T35 T463S33-T35 PolarHBondContact O-N 3.09Å; S33-T35 PolarHBondContact OG-OG1 3.22Å; S33-T463 PolarHBondContact OG-OG1 2.76Å
34K44Very low63.1Low126 Ų12659 Ų5955%0.54828%0.281SS..THydrogen-bonded Turntrans-68.922.8179-59.7178.9-176.71710114H32 E474H32-K34 PolarHBondContact O-N 2.89Å; K34-E474 IonicContact NZ-OE2 3.01Å; K34-E474 PolarHBondContact NZ-OE2 3.27Å
35T40.4Very low63.4Low82 Ų8261 Ų6150%0.50329%0.287SS..THydrogen-bonded Turntrans-99.7-24-174.950.80000114.2S33 T463S33-T35 PolarHBondContact O-N 3.09Å; S33-T35 PolarHBondContact OG-OG1 3.22Å; T35-T463 HydrophobicContact CG2-CG2 4.07Å; T35-T463 PolarHBondContact OG1-OG1 3.42Å
36D39.2Very low63.3Low91 Ų9163.7 Ų63.749%0.48730%0.3SS..  trans-77.2123.3167.2-9324.9000109.4T38 K41D36-T38 VanDerWaalsContact C-N 3.27Å; D36-T38 PolarHBondContact O-N 3.44Å; D36-K41 WeakPolarHBondContact OD2-CD 3.45Å; D36-K41 WeakPolarHBondContact OD2-CE 3.29Å; D36-K41 IonicContact OD2-NZ 3.98Å; D36-K41 PolarHBondContact OD2-NZ 3.37Å
37K41.3Very low63.3Low213 Ų21360.3 Ų60.393%0.92629%0.286SS*.  trans-78.4-7.7-176.1-67.2-174.2176.8-176.20114.3
38T46.8Very low63.7Low60 Ų6061.5 Ų61.537%0.36829%0.293SS..  trans-80.9109.4173.849.50000109.4D36 D40 K41D36-T38 VanDerWaalsContact C-N 3.27Å; D36-T38 PolarHBondContact O-N 3.44Å; T38-D40 VanDerWaalsContact CB-OD2 3.3Å; T38-D40 WeakPolarHBondContact CB-OD2 3.29Å; T38-D40 PolarHBondContact O-N 3.11Å; T38-K41 WeakPolarHBondContact OG1-CE 3.22Å
39R49.6Very low64Low155 Ų15566.2 Ų66.259%0.58532%0.315SS*.G310 helixtrans-56.4-35.2177.9-80.8177.8161.9162.6-5.3111.6K41 I42 Y45R39-K41 PolarHBondContact O-N 3.14Å; R39-I42 PolarHBondContact O-N 3.32Å; R39-Y45 HydrophobicContact CB-CD2 4.04Å; R39-Y45 HydrophobicContact CB-CE2 4.16Å; R39-Y45 HydrophobicContact CG-CE2 4.21Å; R39-Y45 WeakPolarHBondContact O-CD2 3.41Å
40D50.6Low64.5Low108 Ų10867.5 Ų67.558%0.57832%0.319SS*.G310 helixtrans-59.6-5.1-171.5-15.6-56.8000114.7T38 Q46T38-D40 VanDerWaalsContact CB-OD2 3.3Å; T38-D40 WeakPolarHBondContact CB-OD2 3.29Å; T38-D40 PolarHBondContact O-N 3.11Å; D40-Q46 WeakPolarHBondContact O-CG 3.11Å; D40-Q46 PolarHBondContact O-NE2 3.04Å
41K58Low65.2Low121 Ų12168 Ų6853%0.52632%0.321SS..G310 helixtrans-102.9-7.2175.8-62.7-172.3-171.7178.20115D36 T38 R39D36-K41 WeakPolarHBondContact OD2-CD 3.45Å; D36-K41 WeakPolarHBondContact OD2-CE 3.29Å; D36-K41 IonicContact OD2-NZ 3.98Å; D36-K41 PolarHBondContact OD2-NZ 3.37Å; T38-K41 WeakPolarHBondContact OG1-CE 3.22Å; R39-K41 PolarHBondContact O-N 3.14Å
42I71.2Confident66.3Low33 Ų3372.6 Ų72.617%0.16935%0.345CS..SBendtrans-84.2128.2179-55.1179.3000108.4R39 Y44 Y45 Q46R39-I42 PolarHBondContact O-N 3.32Å; I42-Y44 PolarHBondContact O-N 2.8Å; I42-Y45 HydrophobicContact CB-CD2 4.08Å; I42-Y45 HydrophobicContact CD1-CD2 4.43Å; I42-Y45 HydrophobicContact CD1-CE2 4.26Å; I42-Y45 PolarHBondContact O-N 2.88Å; I42-Q46 PolarHBondContact O-N 3.17Å
43P76Confident67.8Low9 Ų972.8 Ų72.86%0.05835%0.349CS..Hα-helixtrans-53.3-25.6-178.7-3035.6000115G47 W111 P113P43-G47 PolarHBondContact O-N 2.95Å; P43-W111 VanDerWaalsContact CB-O 3.28Å; P43-W111 WeakPolarHBondContact CB-O 3.43Å; P43-P113 HydrophobicContact CB-CG 4.3Å
44Y86.3Confident69.8Low19 Ų1977 Ų778%0.07537%0.369CS..Hα-helixtrans-59.6-50.5173-174.3-96.2000113.1D22 I25 Y26 A29 I42 G47 L48 V116 L120D22-Y44 PolarHBondContact OD2-OH 3.22Å; I25-Y44 HydrophobicContact CB-CE2 4.44Å; I25-Y44 HydrophobicContact CG2-CD2 4.37Å; I25-Y44 HydrophobicContact CG2-CE2 4.3Å; Y26-Y44 VanDerWaalsContact CA-CD2 3.42Å; Y26-Y44 AromaticContact CD2-CD1 3.64Å; Y26-Y44 HydrophobicContact CD2-CD1 3.64Å; Y26-Y44 HydrophobicContact CD2-CD2 4.02Å; Y26-Y44 HydrophobicContact CD2-CE1 4.06Å; Y26-Y44 HydrophobicContact CD2-CE2 4.39Å; Y26-Y44 AromaticContact CD2-CG 3.6Å; Y26-Y44 HydrophobicContact CD2-CG 3.6Å; Y26-Y44 HydrophobicContact CE2-CD1 4.34Å; Y26-Y44 HydrophobicContact CE2-CG 4.47Å; Y26-Y44 HydrophobicContact CG-CD2 4.41Å; Y26-Y44 HydrophobicContact CG-CG 4.42Å; A29-Y44 HydrophobicContact CB-CD2 4.25Å; I42-Y44 PolarHBondContact O-N 2.8Å; Y44-G47 PolarHBondContact O-N 3.48Å; Y44-L48 HydrophobicContact CE1-CD2 4.29Å; Y44-L48 WeakPolarHBondContact O-CB 3.42Å; Y44-L48 PolarHBondContact O-N 3.03Å; Y44-V116 HydrophobicContact CD2-CG1 4.19Å; Y44-L120 HydrophobicContact CE2-CD1 4.39Å; Y44-L120 HydrophobicContact CE2-CD2 4.19Å
45Y86Confident71.8Confident72 Ų7271.4 Ų71.428%0.28235%0.346SS..Hα-helixtrans-73.4-35.8-175.3-67.8-61.2000111.4R39 I42 L48 E49R39-Y45 HydrophobicContact CB-CD2 4.04Å; R39-Y45 HydrophobicContact CB-CE2 4.16Å; R39-Y45 HydrophobicContact CG-CE2 4.21Å; R39-Y45 WeakPolarHBondContact O-CD2 3.41Å; I42-Y45 HydrophobicContact CB-CD2 4.08Å; I42-Y45 HydrophobicContact CD1-CD2 4.43Å; I42-Y45 HydrophobicContact CD1-CE2 4.26Å; I42-Y45 PolarHBondContact O-N 2.88Å; Y45-L48 HydrophobicContact CD1-CD2 4.42Å; Y45-L48 PolarHBondContact O-N 2.87Å; Y45-E49 WeakPolarHBondContact O-CB 3.28Å; Y45-E49 PolarHBondContact O-N 2.77Å
46Q84Confident74Confident57 Ų5768 Ų6827%0.26633%0.325SS..Hα-helixtrans-65.9-39.2172.8-64.2177.1-14.700112.2D40 I42 E49 Y50 P113D40-Q46 WeakPolarHBondContact O-CG 3.11Å; D40-Q46 PolarHBondContact O-NE2 3.04Å; I42-Q46 PolarHBondContact O-N 3.17Å; Q46-E49 WeakPolarHBondContact O-CB 3.34Å; Q46-E49 PolarHBondContact O-N 2.77Å; Q46-Y50 WeakPolarHBondContact O-CD1 3.32Å; Q46-Y50 PolarHBondContact O-N 3.45Å; Q46-P113 HydrophobicContact CB-CB 3.84Å; Q46-P113 HydrophobicContact CB-CG 3.76Å; Q46-P113 VanDerWaalsContact OE1-CG 3.27Å
47G86.3Confident76.3Confident0 Ų066 Ų660%031%0.313CS..Hα-helixtrans-71.9-31.3174.400000113.4P43 Y44 F51 P113 A117P43-G47 PolarHBondContact O-N 2.95Å; Y44-G47 PolarHBondContact O-N 3.48Å; G47-F51 WeakPolarHBondContact O-CB 3.47Å; G47-F51 PolarHBondContact O-N 2.88Å; G47-P113 WeakPolarHBondContact CA-O 3.41Å; G47-A117 WeakPolarHBondContact O-CA 3.22Å; G47-A117 WeakPolarHBondContact O-CB 3.43Å
48L87.2Confident78.4Confident30 Ų3060.9 Ų60.916%0.15730%0.295CS..Hα-helixtrans-66.3-40.5170.4176.663.2000111.4Y44 Y45 F51 L52 L120Y44-L48 HydrophobicContact CE1-CD2 4.29Å; Y44-L48 WeakPolarHBondContact O-CB 3.42Å; Y44-L48 PolarHBondContact O-N 3.03Å; Y45-L48 HydrophobicContact CD1-CD2 4.42Å; Y45-L48 PolarHBondContact O-N 2.87Å; L48-F51 HydrophobicContact CD1-CD1 4.3Å; L48-F51 PolarHBondContact O-N 3.1Å; L48-L52 HydrophobicContact CD1-CD1 4.16Å; L48-L52 HydrophobicContact CD1-CG 4.22Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 HydrophobicContact CG-CG 4.47Å; L48-L52 WeakPolarHBondContact O-CB 3.29Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 3.21Å; L48-L120 HydrophobicContact CB-CD1 3.91Å; L48-L120 HydrophobicContact CD1-CD1 4.03Å
49E85.6Confident80.3Confident103 Ų10358.5 Ų58.548%0.48128%0.28SS..Hα-helixtrans-61.3-48.3173.2-177.7-179.8-175.700111.5Y45 Q46 F51 L52 N53Y45-E49 WeakPolarHBondContact O-CB 3.28Å; Y45-E49 PolarHBondContact O-N 2.77Å; Q46-E49 WeakPolarHBondContact O-CB 3.34Å; Q46-E49 PolarHBondContact O-N 2.77Å; E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 2.89Å; E49-L52 PolarHBondContact O-N 3.23Å; E49-N53 WeakPolarHBondContact O-CB 3.26Å; E49-N53 VanDerWaalsContact O-CG 3.29Å; E49-N53 PolarHBondContact O-N 2.89Å; E49-N53 PolarHBondContact O-OD1 2.88Å
50Y87.4Confident82Confident29 Ų2953.7 Ų53.711%0.11427%0.266CS..Hα-helixtrans-63.5-31.5175.6-63.3-10.5000113.3Q46 C55 V70 Q72 P113 H114Q46-Y50 WeakPolarHBondContact O-CD1 3.32Å; Q46-Y50 PolarHBondContact O-N 3.45Å; Y50-C55 VanDerWaalsContact O-CB 3.28Å; Y50-C55 WeakPolarHBondContact O-CB 3.25Å; Y50-C55 PolarHBondContact O-N 3.44Å; Y50-V70 HydrophobicContact CD2-CG1 4.16Å; Y50-Q72 PolarHBondContact OH-NE2 2.99Å; Y50-P113 HydrophobicContact CD2-CB 3.95Å; Y50-P113 HydrophobicContact CE2-CB 3.64Å; Y50-H114 AromaticContact CD2-CD2 3.77Å; Y50-H114 AromaticContact CE2-CD2 3.55Å; Y50-H114 AromaticContact CE2-NE2 3.53Å
51F86.4Confident83.6Confident14 Ų1448.5 Ų48.56%0.06124%0.238CC..Hα-helixtrans-67.5-49.4170.4166.3-98.8000111.6G47 L48 E49 N53 N54 L120 F121 R124 Q125G47-F51 WeakPolarHBondContact O-CB 3.47Å; G47-F51 PolarHBondContact O-N 2.88Å; L48-F51 HydrophobicContact CD1-CD1 4.3Å; L48-F51 PolarHBondContact O-N 3.1Å; E49-F51 VanDerWaalsContact C-N 3.28Å; E49-F51 PolarHBondContact O-N 2.89Å; F51-N53 VanDerWaalsContact C-N 3.29Å; F51-N53 PolarHBondContact O-N 3.4Å; F51-N54 PolarHBondContact O-N 2.89Å; F51-N54 VanDerWaalsContact O-N 3.1Å; F51-L120 HydrophobicContact CB-CB 4.39Å; F51-L120 HydrophobicContact CG-CB 4.27Å; F51-F121 HydrophobicContact CD2-CB 3.93Å; F51-F121 HydrophobicContact CD2-CD2 4.16Å; F51-F121 HydrophobicContact CE2-CB 4.2Å; F51-F121 HydrophobicContact CE2-CD2 4.07Å; F51-F121 HydrophobicContact CE2-CG 4.48Å; F51-R124 HydrophobicContact CE1-CB 4.3Å; F51-R124 VanDerWaalsContact CE1-CD 3.42Å; F51-R124 HydrophobicContact CE2-CB 4.28Å; F51-R124 HydrophobicContact CZ-CB 3.72Å; F51-R124 HydrophobicContact CZ-CG 4.39Å; F51-Q125 HydrophobicContact CE2-CG 4.33Å; F51-Q125 HydrophobicContact CZ-CG 4.31Å
52L86.9Confident84.7Confident107 Ų10745 Ų4556%0.5623%0.225SC*.Hα-helixtrans-64.4-32.4-178.7-71.3169.9000112.8L48 E49 N54L48-L52 HydrophobicContact CD1-CD1 4.16Å; L48-L52 HydrophobicContact CD1-CG 4.22Å; L48-L52 HydrophobicContact CG-CD1 3.99Å; L48-L52 HydrophobicContact CG-CG 4.47Å; L48-L52 WeakPolarHBondContact O-CB 3.29Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.47Å; L48-L52 PolarHBondContact O-N 3.21Å; E49-L52 PolarHBondContact O-N 3.23Å; L52-N54 PolarHBondContact O-N 2.84Å
53N86.5Confident85.1Confident72 Ų7243.4 Ų43.439%0.38522%0.217SC..THydrogen-bonded Turntrans-80.710.5176.6-64.92.8000113.2E49 F51 C55E49-N53 WeakPolarHBondContact O-CB 3.26Å; E49-N53 VanDerWaalsContact O-CG 3.29Å; E49-N53 PolarHBondContact O-N 2.89Å; E49-N53 PolarHBondContact O-OD1 2.88Å; F51-N53 VanDerWaalsContact C-N 3.29Å; F51-N53 PolarHBondContact O-N 3.4Å; N53-C55 PolarHBondContact O-N 3.45Å
54N85.4Confident85.3Confident116 Ų11644.3 Ų44.362%0.6222%0.22SC*.THydrogen-bonded Turntrans53.530.4-176.7-67.2-41.2000114.2F51 L52 V56F51-N54 PolarHBondContact O-N 2.89Å; F51-N54 VanDerWaalsContact O-N 3.1Å; L52-N54 PolarHBondContact O-N 2.84Å; N54-V56 PolarHBondContact O-N 2.87Å
55C85.9Confident85.2Confident8 Ų845.6 Ų45.65%0.05423%0.226CC..  trans-76.61.5-177.6-65.30000114.2Y50 N53 V70 R71Y50-C55 VanDerWaalsContact O-CB 3.28Å; Y50-C55 WeakPolarHBondContact O-CB 3.25Å; Y50-C55 PolarHBondContact O-N 3.44Å; N53-C55 PolarHBondContact O-N 3.45Å; C55-V70 HydrophobicContact CB-CG1 4.38Å; C55-V70 CarbonylContact O-C 3.26Å; C55-V70 VanDerWaalsContact O-CA 3.32Å; C55-V70 WeakPolarHBondContact O-CA 3.39Å; C55-R71 VanDerWaalsContact CB-O 3.29Å; C55-R71 WeakPolarHBondContact CB-O 3.48Å; C55-R71 PolarHBondContact O-N 3.17Å
56V88.4Confident85.3Confident11 Ų1142.2 Ų42.27%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-101.1126.8-176.9-170.70000109.7N54 V59 V70 A117 L118 F121N54-V56 PolarHBondContact O-N 2.87Å; V56-V59 HydrophobicContact CG1-CG2 3.69Å; V56-V70 HydrophobicContact CG1-CG2 4.41Å; V56-V70 HydrophobicContact CG2-CG1 4.48Å; V56-V70 HydrophobicContact CG2-CG2 4.23Å; V56-A117 HydrophobicContact CG2-CB 3.76Å; V56-L118 HydrophobicContact CG1-CD1 3.89Å; V56-F121 HydrophobicContact CB-CB 4.47Å; V56-F121 HydrophobicContact CB-CD2 3.95Å; V56-F121 HydrophobicContact CB-CG 4.35Å; V56-F121 HydrophobicContact CG1-CB 4.11Å; V56-F121 HydrophobicContact CG1-CD2 4.12Å; V56-F121 HydrophobicContact CG1-CG 4.05Å
57E87Confident85.5Confident50 Ų5042.1 Ų42.123%0.23422%0.216CC..EExtended strand (participates in β ladder)trans-140.8165.8-172.9-52.7-179.3136.200112.7V59 S69 R71 K85E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 3.24Å; E57-S69 PolarHBondContact N-O 3.39Å; E57-S69 PolarHBondContact O-N 2.83Å; E57-R71 IonicContact OE1-CZ 2.81Å; E57-R71 IonicContact OE1-NE 2.85Å; E57-R71 PolarHBondContact OE1-NE 2.78Å; E57-R71 IonicContact OE1-NH2 3.93Å; E57-R71 PolarHBondContact OE1-NH2 3Å; E57-R71 IonicContact OE2-CZ 3.65Å; E57-R71 IonicContact OE2-NE 2.87Å; E57-R71 PolarHBondContact OE2-NE 3.33Å; E57-R71 IonicContact OE2-NH2 3.22Å; E57-R71 PolarHBondContact OE2-NH2 2.88Å; E57-K85 VanDerWaalsContact OE2-CE 3.29Å; E57-K85 WeakPolarHBondContact OE2-CE 3.44Å; E57-K85 IonicContact OE2-NZ 2.76Å; E57-K85 PolarHBondContact OE2-NZ 2.88Å
58N84.7Confident85.6Confident104 Ų10442.4 Ų42.456%0.55622%0.22SC*.EExtended strand (participates in β ladder)trans56.144.5172.6-58.1-98.3000111.6I60 K85N58-I60 PolarHBondContact O-N 3.28Å; N58-K85 PolarHBondContact ND2-NZ 3.14Å; N58-K85 VanDerWaalsContact ND2-NZ 3.1Å
59V87.6Confident85.7Confident10 Ų1041.7 Ų41.76%0.06122%0.217CC..EExtended strand (participates in β ladder)trans-87.7105.6-171-174.20000110.7V56 E57 L66 T67 L118 F121 V129 D130V56-V59 HydrophobicContact CG1-CG2 3.69Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 3.24Å; V59-L66 HydrophobicContact CG1-CD1 3.75Å; V59-T67 WeakPolarHBondContact CA-O 3.38Å; V59-L118 HydrophobicContact CB-CD1 4.44Å; V59-L118 HydrophobicContact CG1-CD1 3.77Å; V59-L118 HydrophobicContact CG2-CD1 3.86Å; V59-F121 HydrophobicContact CB-CD1 4.23Å; V59-F121 HydrophobicContact CB-CE1 3.86Å; V59-F121 HydrophobicContact CG1-CD1 3.98Å; V59-F121 HydrophobicContact CG1-CE1 4Å; V59-F121 HydrophobicContact CG2-CD1 3.89Å; V59-F121 HydrophobicContact CG2-CE1 3.73Å; V59-F121 HydrophobicContact CG2-CZ 4.21Å; V59-V129 HydrophobicContact CG1-CB 4.46Å; V59-V129 HydrophobicContact CG1-CG1 4.2Å; V59-V129 HydrophobicContact CG1-CG2 3.84Å; V59-D130 PolarHBondContact O-N 3.24Å; V59-D130 VanDerWaalsContact O-N 3.14Å
60I85.4Confident85.9Confident54 Ų5436.8 Ų36.828%0.27719%0.194SC..EExtended strand (participates in β ladder)trans-122.5129.9-176.8-52.5177.6000108.8N58 I62 T67 D130N58-I60 PolarHBondContact O-N 3.28Å; I60-I62 HydrophobicContact CG2-CD1 4.41Å; I60-I62 HydrophobicContact CG2-CG1 3.87Å; I60-T67 PolarHBondContact N-O 3.43Å; I60-T67 PolarHBondContact O-N 2.92Å; I60-T67 PolarHBondContact O-OG1 2.88Å; I60-D130 HydrophobicContact CB-CB 4.38Å; I60-D130 HydrophobicContact CG1-CB 4.17Å; I60-D130 HydrophobicContact CG2-CB 4.14Å
61Q84.1Confident85.7Confident0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-113.9104.4175.4-166.2-173.9-71.600110.6I14 G63 H65 L66 F92 V129 D130 Y131 R132I14-Q61 PolarHBondContact O-NE2 2.95Å; I14-Q61 VanDerWaalsContact O-NE2 3.08Å; Q61-G63 PolarHBondContact NE2-O 3.03Å; Q61-H65 CarbonylContact C-O 3.55Å; Q61-H65 VanDerWaalsContact CA-O 3.31Å; Q61-H65 WeakPolarHBondContact CA-O 3.43Å; Q61-L66 HydrophobicContact CB-CD1 3.92Å; Q61-L66 HydrophobicContact CG-CB 4.31Å; Q61-L66 HydrophobicContact CG-CD1 4.26Å; Q61-F92 VanDerWaalsContact CD-CZ 3.42Å; Q61-F92 HydrophobicContact CG-CE1 3.97Å; Q61-F92 HydrophobicContact CG-CZ 3.91Å; Q61-V129 HydrophobicContact CB-CG1 3.67Å; Q61-D130 PolarHBondContact N-O 2.85Å; Q61-Y131 HydrophobicContact CB-CD1 4.07Å; Q61-Y131 HydrophobicContact CB-CE1 4.27Å; Q61-Y131 HydrophobicContact CG-CD1 4.46Å; Q61-Y131 CarbonylContact O-C 3.22Å; Q61-Y131 WeakPolarHBondContact O-CA 3.44Å; Q61-R132 PolarHBondContact O-N 3.28Å
62I80.6Confident85.4Confident47 Ų4743.5 Ų43.524%0.24122%0.222CC..EExtended strand (participates in β ladder)trans-99.9107.2177.1-45.9-178.7000108I60 F64 H65 R132 I135 T205I60-I62 HydrophobicContact CG2-CD1 4.41Å; I60-I62 HydrophobicContact CG2-CG1 3.87Å; I62-F64 PolarHBondContact O-N 3.38Å; I62-H65 PolarHBondContact N-O 2.98Å; I62-H65 PolarHBondContact O-N 3.14Å; I62-R132 HydrophobicContact CG1-CB 4.35Å; I62-R132 HydrophobicContact CG2-CB 4.23Å; I62-I135 HydrophobicContact CG2-CD1 3.95Å; I62-I135 HydrophobicContact CG2-CG1 3.76Å; I62-T205 HydrophobicContact CB-CG2 4.14Å; I62-T205 HydrophobicContact CG2-CG2 3.88Å; I62-T205 WeakPolarHBondContact O-CB 3.41Å
63G79.3Confident84.1Confident0 Ų043.5 Ų43.50%022%0.219CC..THydrogen-bonded Turntrans51.3-123-172.300000112.1I14 Q61 H65 F92 R132 T205I14-G63 WeakPolarHBondContact CG2-O 3.45Å; Q61-G63 PolarHBondContact NE2-O 3.03Å; G63-H65 VanDerWaalsContact C-N 3.29Å; G63-H65 PolarHBondContact O-N 3.19Å; G63-F92 WeakPolarHBondContact O-CZ 3.1Å; G63-R132 PolarHBondContact N-O 3.21Å; G63-T205 CarbonylContact C-O 3.6Å; G63-T205 WeakPolarHBondContact CA-O 3.12Å
64F81.3Confident82.4Confident27 Ų2743.6 Ų43.612%0.11822%0.223CC..THydrogen-bonded Turntrans-88.918.7-178.8-68.2-96000113.9I13 I14 S17 I62 F92 T205I13-F64 HydrophobicContact CG2-CZ 4.27Å; I14-F64 HydrophobicContact CG1-CE2 4.4Å; S17-F64 WeakPolarHBondContact OG-CE1 3.4Å; I62-F64 PolarHBondContact O-N 3.38Å; F64-F92 VanDerWaalsContact C-CE1 3.45Å; F64-F92 WeakPolarHBondContact CB-O 3.28Å; F64-F92 HydrophobicContact CD1-CD2 4.32Å; F64-F92 HydrophobicContact CD1-CE2 4.07Å; F64-F92 WeakPolarHBondContact CD1-O 3.17Å; F64-F92 PolarHBondContact O-N 2.76Å; F64-T205 WeakPolarHBondContact CD2-O 3.46Å; F64-T205 PolarHBondContact N-O 3.06Å
65H83.2Confident80.6Confident47 Ų4741.8 Ų41.822%0.21823%0.225CC..EExtended strand (participates in β ladder)trans-122.8119.2174.3-80.524.6000111.4Q61 I62 G63 T91 P204 T205Q61-H65 CarbonylContact C-O 3.55Å; Q61-H65 VanDerWaalsContact CA-O 3.31Å; Q61-H65 WeakPolarHBondContact CA-O 3.43Å; I62-H65 PolarHBondContact N-O 2.98Å; I62-H65 PolarHBondContact O-N 3.14Å; G63-H65 VanDerWaalsContact C-N 3.29Å; G63-H65 PolarHBondContact O-N 3.19Å; H65-T91 WeakPolarHBondContact CE1-CG2 3.36Å; H65-T91 WeakPolarHBondContact ND1-CG2 3.32Å; H65-P204 PolarHBondContact CE1-O 2.59Å; H65-P204 PolarHBondContact ND1-O 3.02Å; H65-P204 VanDerWaalsContact ND1-O 3.13Å; H65-P204 PolarHBondContact NE2-O 2.98Å; H65-T205 HydrophobicContact CB-CG2 4.49Å
66L88.3Confident78.4Confident0 Ų042.1 Ų42.10%023%0.226CC..EExtended strand (participates in β ladder)trans-97.2134.9170.5178.671.6000109.2F18 V59 Q61 S89 I90 F92 L118 R122 V129F18-L66 HydrophobicContact CE2-CB 4.46Å; F18-L66 HydrophobicContact CE2-CD2 3.73Å; F18-L66 HydrophobicContact CZ-CD2 3.85Å; V59-L66 HydrophobicContact CG1-CD1 3.75Å; Q61-L66 HydrophobicContact CB-CD1 3.92Å; Q61-L66 HydrophobicContact CG-CB 4.31Å; Q61-L66 HydrophobicContact CG-CD1 4.26Å; L66-S89 WeakPolarHBondContact O-CA 3.39Å; L66-I90 HydrophobicContact CB-CB 4.27Å; L66-I90 HydrophobicContact CD2-CB 4.39Å; L66-I90 HydrophobicContact CD2-CD1 4.44Å; L66-I90 PolarHBondContact N-O 3.04Å; L66-I90 PolarHBondContact O-N 2.89Å; L66-F92 HydrophobicContact CB-CD1 4.42Å; L66-F92 HydrophobicContact CB-CE1 4.1Å; L66-L118 HydrophobicContact CD2-CD1 4.32Å; L66-L118 HydrophobicContact CD2-CD2 4.28Å; L66-L118 HydrophobicContact CD2-CG 3.9Å; L66-L118 HydrophobicContact CG-CD1 4.42Å; L66-L118 HydrophobicContact CG-CD2 4.25Å; L66-L118 HydrophobicContact CG-CG 4.27Å; L66-R122 HydrophobicContact CD1-CG 4.45Å; L66-R122 HydrophobicContact CD2-CB 3.7Å; L66-R122 HydrophobicContact CD2-CG 3.92Å; L66-V129 HydrophobicContact CD1-CG1 4.12Å
67T88.6Confident75.8Confident55 Ų5545.2 Ų45.234%0.33725%0.248SC..EExtended strand (participates in β ladder)trans-131.7152.1175.857.90000110.2V59 I60 V88V59-T67 WeakPolarHBondContact CA-O 3.38Å; I60-T67 PolarHBondContact N-O 3.43Å; I60-T67 PolarHBondContact O-N 2.92Å; I60-T67 PolarHBondContact O-OG1 2.88Å; T67-V88 WeakPolarHBondContact CA-O 3.28Å
68G88.9Confident73.3Confident7 Ų749.7 Ų49.77%0.07227%0.272CS..EExtended strand (participates in β ladder)trans-169.7174.5176.400000111.8V88G68-V88 PolarHBondContact N-O 3.37Å; G68-V88 PolarHBondContact O-N 2.9Å; G68-V88 VanDerWaalsContact O-O 3.11Å
69S88.5Confident71Confident15 Ų1549 Ų4911%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-123.8136.7173-60.10000109.9E57 F86E57-S69 PolarHBondContact N-O 3.39Å; E57-S69 PolarHBondContact O-N 2.83Å; S69-F86 CarbonylContact C-O 3.51Å; S69-F86 WeakPolarHBondContact CA-O 3.28Å
70V88.8Confident68.4Low0 Ų058.5 Ų58.50%032%0.319CS..EExtended strand (participates in β ladder)trans-116.3118.8176.2-171.60000109Y50 C55 V56 Q72 F86 V88 H114 A117Y50-V70 HydrophobicContact CD2-CG1 4.16Å; C55-V70 HydrophobicContact CB-CG1 4.38Å; C55-V70 CarbonylContact O-C 3.26Å; C55-V70 VanDerWaalsContact O-CA 3.32Å; C55-V70 WeakPolarHBondContact O-CA 3.39Å; V56-V70 HydrophobicContact CG1-CG2 4.41Å; V56-V70 HydrophobicContact CG2-CG1 4.48Å; V56-V70 HydrophobicContact CG2-CG2 4.23Å; V70-Q72 PolarHBondContact O-N 3.33Å; V70-F86 PolarHBondContact N-O 3.3Å; V70-F86 PolarHBondContact O-N 3.37Å; V70-V88 HydrophobicContact CG2-CG2 4.01Å; V70-H114 HydrophobicContact CB-CB 4.04Å; V70-H114 HydrophobicContact CG1-CB 4.45Å; V70-H114 HydrophobicContact CG2-CB 4.08Å; V70-A117 HydrophobicContact CG1-CB 4.27Å; V70-A117 HydrophobicContact CG2-CB 4.35Å
71R85.1Confident66.3Low116 Ų11660.6 Ų60.644%0.43833%0.334SS..EExtended strand (participates in β ladder)trans-75.7114.5171.8-59.7-168.5-168.3-152.314.5108.6C55 E57 Q73 K85C55-R71 VanDerWaalsContact CB-O 3.29Å; C55-R71 WeakPolarHBondContact CB-O 3.48Å; C55-R71 PolarHBondContact O-N 3.17Å; E57-R71 IonicContact OE1-CZ 2.81Å; E57-R71 IonicContact OE1-NE 2.85Å; E57-R71 PolarHBondContact OE1-NE 2.78Å; E57-R71 IonicContact OE1-NH2 3.93Å; E57-R71 PolarHBondContact OE1-NH2 3Å; E57-R71 IonicContact OE2-CZ 3.65Å; E57-R71 IonicContact OE2-NE 2.87Å; E57-R71 PolarHBondContact OE2-NE 3.33Å; E57-R71 IonicContact OE2-NH2 3.22Å; E57-R71 PolarHBondContact OE2-NH2 2.88Å; R71-Q73 PolarHBondContact O-N 2.83Å; R71-K85 HydrophobicContact CG-CB 4.49Å; R71-K85 HydrophobicContact CG-CD 4.36Å; R71-K85 HydrophobicContact CG-CG 4.32Å
72Q78.5Confident64.5Low68 Ų6869.6 Ų69.632%0.31838%0.377SS..  trans-76.1106.9163.5-174.8167.940.600107.5Y50 V70 G83 N84 F86Y50-Q72 PolarHBondContact OH-NE2 2.99Å; V70-Q72 PolarHBondContact O-N 3.33Å; Q72-G83 CarbonylContact O-C 3.59Å; Q72-N84 PolarHBondContact N-O 3Å; Q72-F86 HydrophobicContact CB-CD2 3.99Å; Q72-F86 HydrophobicContact CB-CE2 3.62Å; Q72-F86 HydrophobicContact CG-CE2 4.48Å
73Q60.7Low63.4Low106 Ų10668.6 Ų68.650%0.49538%0.378SS..  trans-55.4134.8162.7-74.5176.6-18.700107.4R71 A75R71-Q73 PolarHBondContact O-N 2.83Å; Q73-A75 PolarHBondContact O-N 2.83Å
74P50.5Low63Low74 Ų7473.7 Ų73.748%0.48141%0.405SS..  trans-55.6144.916528.1-33.6000106.6T76P74-T76 PolarHBondContact O-N 2.86Å
75A46.7Very low63Low79 Ų7976.7 Ų76.765%0.65342%0.418SS*.SBendtrans-61.60.2177.100000113.1Q73 L453Q73-A75 PolarHBondContact O-N 2.83Å; A75-L453 HydrophobicContact CB-CD2 4.12Å; A75-L453 HydrophobicContact CB-CG 4.43Å
76T40.7Very low63.1Low14 Ų1476 Ų769%0.08641%0.414CS..SBendtrans-160.7122.3-163.653.20000115.2P74 I78 N451 Q452P74-T76 PolarHBondContact O-N 2.86Å; T76-I78 PolarHBondContact O-N 2.88Å; T76-N451 VanDerWaalsContact CA-ND2 3.3Å; T76-N451 WeakPolarHBondContact CA-ND2 3.46Å; T76-N451 VanDerWaalsContact CA-OD1 3.23Å; T76-N451 WeakPolarHBondContact CA-OD1 3.42Å; T76-N451 WeakPolarHBondContact CB-OD1 3.22Å; T76-N451 HydrophobicContact CG2-CB 3.44Å; T76-N451 VanDerWaalsContact CG2-CB 3.44Å; T76-N451 WeakPolarHBondContact CG2-OD1 3.22Å; T76-Q452 HydrophobicContact CG2-CB 3.64Å; T76-Q452 HydrophobicContact CG2-CG 3.47Å; T76-Q452 VanDerWaalsContact CG2-CG 3.47Å; T76-Q452 WeakPolarHBondContact OG1-CG 3.13Å; T76-Q452 PolarHBondContact OG1-NE2 2.86Å
77C33.1Very low63Low77 Ų7782.3 Ų82.352%0.5244%0.442SS..  trans-58.1123.2155.4-51.90000112.7N451C77-N451 WeakPolarHBondContact CA-ND2 3.48Å; C77-N451 PolarHBondContact N-ND2 3.2Å; C77-N451 PolarHBondContact O-ND2 2.89Å
78I34.8Very low63.1Low144 Ų14479.9 Ų79.974%0.73843%0.427SS*.SBendtrans171.774131.6-79.6152000105.6T76T76-I78 PolarHBondContact O-N 2.88Å
79S36.8Very low63Low89 Ų8981.6 Ų81.662%0.62244%0.438SS*.SBendtrans169132.9159.651.80000109.2T81S79-T81 VanDerWaalsContact C-N 3.27Å; S79-T81 PolarHBondContact O-N 3.14Å
80E32.9Very low63Low209 Ų20980.9 Ų80.998%0.97743%0.433SS*.  trans-77.878.8171.6-66.5-179.7135.300110.2
81T40.2Very low62.8Low98 Ų9881.7 Ų81.760%0.60144%0.438SS*.  trans-120.6125.8168.155.40000108.3S79 G83S79-T81 VanDerWaalsContact C-N 3.27Å; S79-T81 PolarHBondContact O-N 3.14Å; T81-G83 PolarHBondContact O-N 3.19Å; T81-G83 VanDerWaalsContact O-N 3.12Å
82E47.1Very low62.9Low190 Ų19076.2 Ų76.289%0.88842%0.417SS*.  trans-50.6118.2-175.6-61.1-172.7121.100111.6N84E82-N84 PolarHBondContact O-N 3.16Å
83G56.8Low63Low26 Ų2673.5 Ų73.527%0.26841%0.405SS..  trans-58.3121.5-176.800000111.3Q72 T81 K85Q72-G83 CarbonylContact O-C 3.59Å; T81-G83 PolarHBondContact O-N 3.19Å; T81-G83 VanDerWaalsContact O-N 3.12Å; G83-K85 PolarHBondContact O-N 3.41Å
84N71.8Confident63.7Low107 Ų10773.1 Ų73.157%0.57240%0.399SS*.  trans-46112.5-168.3-77.1-44.7000112.1Q72 E82 F86Q72-N84 PolarHBondContact N-O 3Å; E82-N84 PolarHBondContact O-N 3.16Å; N84-F86 HydrophobicContact CB-CD2 4.49Å; N84-F86 HydrophobicContact CB-CE1 4.19Å; N84-F86 HydrophobicContact CB-CE2 3.74Å; N84-F86 HydrophobicContact CB-CZ 3.57Å; N84-F86 WeakPolarHBondContact O-CD2 3.33Å; N84-F86 PolarHBondContact O-N 2.83Å
85K81.6Confident65.3Low90 Ų9072.2 Ų72.239%0.39139%0.394SS..EExtended strand (participates in β ladder)trans-9398.5-175.7-175.8166.3176.41670110.1E57 N58 R71 G83E57-K85 VanDerWaalsContact OE2-CE 3.29Å; E57-K85 WeakPolarHBondContact OE2-CE 3.44Å; E57-K85 IonicContact OE2-NZ 2.76Å; E57-K85 PolarHBondContact OE2-NZ 2.88Å; N58-K85 PolarHBondContact ND2-NZ 3.14Å; N58-K85 VanDerWaalsContact ND2-NZ 3.1Å; R71-K85 HydrophobicContact CG-CB 4.49Å; R71-K85 HydrophobicContact CG-CD 4.36Å; R71-K85 HydrophobicContact CG-CG 4.32Å; G83-K85 PolarHBondContact O-N 3.41Å
86F85.6Confident67.1Low32 Ų3271.6 Ų71.614%0.1438%0.376CS..EExtended strand (participates in β ladder)trans-85.9126.6-176.6-63.7-63.2000111.6S69 V70 Q72 N84 D103 C104 H114S69-F86 CarbonylContact C-O 3.51Å; S69-F86 WeakPolarHBondContact CA-O 3.28Å; V70-F86 PolarHBondContact N-O 3.3Å; V70-F86 PolarHBondContact O-N 3.37Å; Q72-F86 HydrophobicContact CB-CD2 3.99Å; Q72-F86 HydrophobicContact CB-CE2 3.62Å; Q72-F86 HydrophobicContact CG-CE2 4.48Å; N84-F86 HydrophobicContact CB-CD2 4.49Å; N84-F86 HydrophobicContact CB-CE1 4.19Å; N84-F86 HydrophobicContact CB-CE2 3.74Å; N84-F86 HydrophobicContact CB-CZ 3.57Å; N84-F86 WeakPolarHBondContact O-CD2 3.33Å; N84-F86 PolarHBondContact O-N 2.83Å; F86-D103 WeakPolarHBondContact CA-OD1 3.47Å; F86-D103 VanDerWaalsContact CB-OD1 3.22Å; F86-D103 WeakPolarHBondContact CB-OD1 3.49Å; F86-D103 WeakPolarHBondContact CD1-OD1 3.36Å; F86-C104 HydrophobicContact CB-CB 4.3Å; F86-C104 VanDerWaalsContact CD1-CA 3.45Å; F86-C104 HydrophobicContact CD1-CB 3.54Å; F86-C104 HydrophobicContact CD2-CB 4.08Å; F86-C104 HydrophobicContact CE1-CB 3.77Å; F86-C104 HydrophobicContact CE2-CB 4.26Å; F86-C104 HydrophobicContact CG-CB 3.69Å; F86-C104 HydrophobicContact CZ-CB 4.12Å; F86-H114 AromaticContact CD2-CE1 3.32Å; F86-H114 WeakPolarHBondContact CD2-CE1 3.07Å; F86-H114 AromaticContact CD2-ND1 3.83Å; F86-H114 AromaticContact CD2-NE2 3.49Å; F86-H114 WeakPolarHBondContact CD2-NE2 3.41Å; F86-H114 AromaticContact CE2-CE1 3.67Å; F86-H114 AromaticContact CE2-NE2 3.89Å
87K86Confident69.3Low132 Ų13270.9 Ų70.957%0.57437%0.372SS*.EExtended strand (participates in β ladder)trans-79.9134.5174.7-61.4178.9-178.1178.20109.5C102 D103K87-C102 WeakPolarHBondContact O-CA 3.5Å; K87-D103 WeakPolarHBondContact CB-OD2 3.45Å; K87-D103 PolarHBondContact N-OD1 2.89Å; K87-D103 PolarHBondContact N-OD2 3.11Å; K87-D103 PolarHBondContact O-N 3.24Å
88V89.8Confident71.8Confident5 Ų570.2 Ų70.23%0.0336%0.363CS..EExtended strand (participates in β ladder)trans-128.3132.9-178-1740000108.7T67 G68 V70 I90 C101 C102 H114 V115 L118T67-V88 WeakPolarHBondContact CA-O 3.28Å; G68-V88 PolarHBondContact N-O 3.37Å; G68-V88 PolarHBondContact O-N 2.9Å; G68-V88 VanDerWaalsContact O-O 3.11Å; V70-V88 HydrophobicContact CG2-CG2 4.01Å; V88-I90 HydrophobicContact CG1-CD1 4.42Å; V88-I90 HydrophobicContact CG1-CG1 4.19Å; V88-C101 WeakPolarHBondContact CA-O 3.44Å; V88-C102 HydrophobicContact CG2-CB 4.3Å; V88-H114 HydrophobicContact CG2-CB 3.71Å; V88-V115 HydrophobicContact CG1-CB 4.49Å; V88-V115 HydrophobicContact CG1-CG2 3.86Å; V88-L118 HydrophobicContact CB-CD2 3.79Å; V88-L118 HydrophobicContact CG1-CB 4.23Å; V88-L118 HydrophobicContact CG1-CD2 3.64Å
89S87.2Confident74.1Confident43 Ų4365.1 Ų65.130%0.30134%0.34SS..EExtended strand (participates in β ladder)trans-125.2142.1167.260.40000110.7L66 V100 C101L66-S89 WeakPolarHBondContact O-CA 3.39Å; S89-V100 CarbonylContact O-C 3.46Å; S89-V100 WeakPolarHBondContact O-CA 3.38Å; S89-C101 PolarHBondContact N-O 3.13Å; S89-C101 PolarHBondContact O-N 3.08Å
90I88.8Confident76.5Confident0 Ų061 Ų610%031%0.311CS..EExtended strand (participates in β ladder)trans-135.2119.7-176.1-65.3-179.4000106.8F18 L66 V88 I97 V100 V115 L118 A119F18-I90 HydrophobicContact CE2-CG2 4.08Å; F18-I90 HydrophobicContact CZ-CG2 4.37Å; L66-I90 HydrophobicContact CB-CB 4.27Å; L66-I90 HydrophobicContact CD2-CB 4.39Å; L66-I90 HydrophobicContact CD2-CD1 4.44Å; L66-I90 PolarHBondContact N-O 3.04Å; L66-I90 PolarHBondContact O-N 2.89Å; V88-I90 HydrophobicContact CG1-CD1 4.42Å; V88-I90 HydrophobicContact CG1-CG1 4.19Å; I90-I97 HydrophobicContact CG2-CB 4.34Å; I90-I97 HydrophobicContact CG2-CD1 3.77Å; I90-I97 HydrophobicContact CG2-CG1 3.61Å; I90-I97 HydrophobicContact CG2-CG2 3.86Å; I90-V100 HydrophobicContact CG1-CB 4.34Å; I90-V100 HydrophobicContact CG1-CG1 4.08Å; I90-V100 HydrophobicContact CG2-CG1 4.38Å; I90-V115 HydrophobicContact CD1-CG1 4.23Å; I90-L118 HydrophobicContact CD1-CB 4.05Å; I90-L118 HydrophobicContact CD1-CD2 3.96Å; I90-L118 HydrophobicContact CD1-CG 4.02Å; I90-L118 HydrophobicContact CG1-CD2 4.17Å; I90-A119 HydrophobicContact CD1-CB 4.12Å
91T85.2Confident78.9Confident17 Ų1754 Ų5410%0.10428%0.284CS..EExtended strand (participates in β ladder)trans-104.8141.4174.8790000108.7H65 I97 I98 S99H65-T91 WeakPolarHBondContact CE1-CG2 3.36Å; H65-T91 WeakPolarHBondContact ND1-CG2 3.32Å; T91-I97 CarbonylContact O-C 3.48Å; T91-I98 PolarHBondContact O-N 2.64Å; T91-I98 VanDerWaalsContact OG1-CG1 3.31Å; T91-I98 WeakPolarHBondContact OG1-CG1 3.11Å; T91-S99 WeakPolarHBondContact CG2-OG 3.35Å; T91-S99 PolarHBondContact N-O 2.88Å; T91-S99 PolarHBondContact O-N 3.48Å; T91-S99 WeakPolarHBondContact OG1-CB 3.39Å; T91-S99 PolarHBondContact OG1-N 3.49Å; T91-S99 PolarHBondContact OG1-OG 3.29Å
92F85.9Confident81.2Confident1 Ų151.1 Ų51.10%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-145.6154.4-170.961.2-87.2000111.3S17 F18 Q61 G63 F64 L66 K96 I97S17-F92 WeakPolarHBondContact O-CD2 3.08Å; F18-F92 HydrophobicContact CB-CD2 4.37Å; F18-F92 HydrophobicContact CB-CE2 4.43Å; F18-F92 HydrophobicContact CD2-CB 4.16Å; F18-F92 AromaticContact CD2-CD1 3.53Å; F18-F92 HydrophobicContact CD2-CD1 3.53Å; F18-F92 AromaticContact CD2-CD2 3.93Å; F18-F92 HydrophobicContact CD2-CD2 3.93Å; F18-F92 AromaticContact CD2-CE1 3.87Å; F18-F92 HydrophobicContact CD2-CE1 3.87Å; F18-F92 HydrophobicContact CD2-CE2 4.24Å; F18-F92 AromaticContact CD2-CG 3.57Å; F18-F92 HydrophobicContact CD2-CG 3.57Å; F18-F92 HydrophobicContact CD2-CZ 4.23Å; F18-F92 HydrophobicContact CE2-CB 4.38Å; F18-F92 AromaticContact CE2-CD1 3.77Å; F18-F92 HydrophobicContact CE2-CD1 3.77Å; F18-F92 HydrophobicContact CE2-CE1 4.33Å; F18-F92 HydrophobicContact CE2-CG 4.07Å; Q61-F92 VanDerWaalsContact CD-CZ 3.42Å; Q61-F92 HydrophobicContact CG-CE1 3.97Å; Q61-F92 HydrophobicContact CG-CZ 3.91Å; G63-F92 WeakPolarHBondContact O-CZ 3.1Å; F64-F92 VanDerWaalsContact C-CE1 3.45Å; F64-F92 WeakPolarHBondContact CB-O 3.28Å; F64-F92 HydrophobicContact CD1-CD2 4.32Å; F64-F92 HydrophobicContact CD1-CE2 4.07Å; F64-F92 WeakPolarHBondContact CD1-O 3.17Å; F64-F92 PolarHBondContact O-N 2.76Å; L66-F92 HydrophobicContact CB-CD1 4.42Å; L66-F92 HydrophobicContact CB-CE1 4.1Å; F92-K96 CarbonylContact C-O 3.56Å; F92-K96 WeakPolarHBondContact CA-O 3.42Å; F92-K96 VanDerWaalsContact CB-O 3.29Å; F92-K96 WeakPolarHBondContact CB-O 3.33Å; F92-I97 HydrophobicContact CB-CG1 4.37Å
93D79.9Confident82.9Confident10 Ų1045.2 Ų45.25%0.05324%0.242CC..EExtended strand (participates in β ladder)trans-155.6142.5179.1176.421000109.1C95 K96 I98 A214D93-C95 VanDerWaalsContact C-N 3.3Å; D93-C95 PolarHBondContact O-N 2.84Å; D93-C95 VanDerWaalsContact O-N 3.15Å; D93-K96 PolarHBondContact N-O 3.35Å; D93-K96 PolarHBondContact O-N 2.98Å; D93-K96 VanDerWaalsContact O-O 3.12Å; D93-I98 HydrophobicContact CB-CD1 4Å; D93-I98 HydrophobicContact CB-CG2 3.99Å; D93-A214 HydrophobicContact CB-CB 4.41Å
94R76.9Confident84.2Confident99 Ų9945.4 Ų45.437%0.37424%0.239SC..THydrogen-bonded Turntrans42.652.6175.6-75.1164.1-74.5171.8-0.3113.6K96 D212 A214R94-K96 VanDerWaalsContact C-N 3.31Å; R94-K96 PolarHBondContact O-N 3Å; R94-D212 VanDerWaalsContact CZ-O 3.25Å; R94-D212 PolarHBondContact NH1-O 3.12Å; R94-D212 PolarHBondContact NH2-O 2.84Å; R94-A214 HydrophobicContact CB-CB 4.1Å
95C84.3Confident84Confident55 Ų5543.2 Ų43.237%0.37224%0.242SC..THydrogen-bonded Turntrans63.823.8-180-59.90000115.6Y16 S17 P19 D93Y16-C95 PolarHBondContact O-SG 3.35Å; S17-C95 WeakPolarHBondContact O-CA 3.39Å; S17-C95 PolarHBondContact O-N 3.23Å; P19-C95 WeakPolarHBondContact CG-O 3.42Å; D93-C95 VanDerWaalsContact C-N 3.3Å; D93-C95 PolarHBondContact O-N 2.84Å; D93-C95 VanDerWaalsContact O-N 3.15Å
96K83.8Confident83.3Confident65 Ų6543.1 Ų43.128%0.28325%0.245SC..EExtended strand (participates in β ladder)trans-131.8140.2177.2-55.4178.9-165.11760110.4F92 D93 R94 I98 A214 W216F92-K96 CarbonylContact C-O 3.56Å; F92-K96 WeakPolarHBondContact CA-O 3.42Å; F92-K96 VanDerWaalsContact CB-O 3.29Å; F92-K96 WeakPolarHBondContact CB-O 3.33Å; D93-K96 PolarHBondContact N-O 3.35Å; D93-K96 PolarHBondContact O-N 2.98Å; D93-K96 VanDerWaalsContact O-O 3.12Å; R94-K96 VanDerWaalsContact C-N 3.31Å; R94-K96 PolarHBondContact O-N 3Å; K96-I98 PolarHBondContact O-N 2.85Å; K96-A214 HydrophobicContact CD-CB 4.42Å; K96-A214 VanDerWaalsContact CD-O 3.29Å; K96-A214 WeakPolarHBondContact CD-O 3.26Å; K96-A214 WeakPolarHBondContact CE-O 3.27Å; K96-A214 PolarHBondContact NZ-O 3.02Å; K96-W216 HydrophobicContact CB-CD2 4.05Å; K96-W216 HydrophobicContact CB-CG 4.22Å; K96-W216 HydrophobicContact CD-CG 4.44Å; K96-W216 HydrophobicContact CG-CD2 4.35Å; K96-W216 HydrophobicContact CG-CG 4.36Å
97I87.3Confident81.8Confident0 Ų051 Ų510%028%0.28CS..EExtended strand (participates in β ladder)trans-75.3121.9167-74.1166000107.8F18 P19 I25 I90 T91 F92 V100 W111 A119 W216 Y217F18-I97 HydrophobicContact CE2-CD1 4.47Å; F18-I97 HydrophobicContact CE2-CG1 4.32Å; F18-I97 HydrophobicContact CZ-CD1 3.92Å; F18-I97 HydrophobicContact CZ-CG1 4.25Å; P19-I97 HydrophobicContact CG-CD1 4.36Å; P19-I97 HydrophobicContact CG-CG1 4Å; I25-I97 HydrophobicContact CD1-CD1 3.83Å; I90-I97 HydrophobicContact CG2-CB 4.34Å; I90-I97 HydrophobicContact CG2-CD1 3.77Å; I90-I97 HydrophobicContact CG2-CG1 3.61Å; I90-I97 HydrophobicContact CG2-CG2 3.86Å; T91-I97 CarbonylContact O-C 3.48Å; F92-I97 HydrophobicContact CB-CG1 4.37Å; I97-V100 HydrophobicContact CG2-CG1 3.37Å; I97-W111 HydrophobicContact CB-CH2 4.08Å; I97-W111 HydrophobicContact CB-CZ2 4.39Å; I97-W111 HydrophobicContact CD1-CH2 3.81Å; I97-W111 HydrophobicContact CD1-CZ3 4.27Å; I97-W111 HydrophobicContact CG2-CH2 4Å; I97-W111 HydrophobicContact CG2-CZ2 4.06Å; I97-A119 HydrophobicContact CD1-CB 4.12Å; I97-W216 HydrophobicContact CB-CE3 4.04Å; I97-W216 HydrophobicContact CB-CZ3 3.94Å; I97-W216 HydrophobicContact CD1-CZ3 4.34Å; I97-W216 HydrophobicContact CG1-CZ3 4.27Å; I97-W216 CarbonylContact O-C 3.59Å; I97-W216 VanDerWaalsContact O-CA 3.32Å; I97-W216 WeakPolarHBondContact O-CA 3.47Å; I97-Y217 PolarHBondContact O-N 3.12Å
98I84.7Confident80.5Confident63 Ų6345.8 Ų45.832%0.32326%0.263SS..EExtended strand (participates in β ladder)trans-103.4-23.7-174.767.7176.1000113.1T91 D93 K96 Y217T91-I98 PolarHBondContact O-N 2.64Å; T91-I98 VanDerWaalsContact OG1-CG1 3.31Å; T91-I98 WeakPolarHBondContact OG1-CG1 3.11Å; D93-I98 HydrophobicContact CB-CD1 4Å; D93-I98 HydrophobicContact CB-CG2 3.99Å; K96-I98 PolarHBondContact O-N 2.85Å; I98-Y217 WeakPolarHBondContact O-CD2 3.34Å
99S84.2Confident79.2Confident36 Ų3646.1 Ų46.125%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-149.6156.1163.384.30000112.1T91T91-S99 WeakPolarHBondContact CG2-OG 3.35Å; T91-S99 PolarHBondContact N-O 2.88Å; T91-S99 PolarHBondContact O-N 3.48Å; T91-S99 WeakPolarHBondContact OG1-CB 3.39Å; T91-S99 PolarHBondContact OG1-N 3.49Å; T91-S99 PolarHBondContact OG1-OG 3.29Å
100V86.3Confident78.3Confident4 Ų445.1 Ų45.12%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-136.6145.9168.5-46.10000109.6S89 I90 I97 V115 Y217S89-V100 CarbonylContact O-C 3.46Å; S89-V100 WeakPolarHBondContact O-CA 3.38Å; I90-V100 HydrophobicContact CG1-CB 4.34Å; I90-V100 HydrophobicContact CG1-CG1 4.08Å; I90-V100 HydrophobicContact CG2-CG1 4.38Å; I97-V100 HydrophobicContact CG2-CG1 3.37Å; V100-V115 HydrophobicContact CB-CG1 3.88Å; V100-V115 HydrophobicContact CB-CG2 3.96Å; V100-V115 HydrophobicContact CG1-CG1 3.73Å; V100-V115 HydrophobicContact CG2-CB 4.43Å; V100-V115 HydrophobicContact CG2-CG1 3.86Å; V100-V115 HydrophobicContact CG2-CG2 3.76Å; V100-Y217 HydrophobicContact CB-CD1 4.27Å; V100-Y217 HydrophobicContact CG1-CD1 4.19Å; V100-Y217 HydrophobicContact CG2-CD1 3.73Å; V100-Y217 HydrophobicContact CG2-CE1 3.77Å
101C84.2Confident77.9Confident61 Ų6145.7 Ų45.741%0.41226%0.26SS..EExtended strand (participates in β ladder)trans-134.1142.8171.8-73.80000109.6V88 S89V88-C101 WeakPolarHBondContact CA-O 3.44Å; S89-C101 PolarHBondContact N-O 3.13Å; S89-C101 PolarHBondContact O-N 3.08Å
102C87Confident78Confident38 Ų3845 Ų4526%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-147.7141.3172.7179.60000109.6K87 V88 C104 V115K87-C102 WeakPolarHBondContact O-CA 3.5Å; V88-C102 HydrophobicContact CG2-CB 4.3Å; C102-C104 VanDerWaalsContact C-N 3.32Å; C102-C104 PolarHBondContact O-N 3.3Å; C102-C104 PolarHBondContact SG-SG 2.96Å; C102-V115 HydrophobicContact CB-CG2 4.14Å
103D84.6Confident78.1Confident66 Ų6645.7 Ų45.735%0.35326%0.26SS..SBendtrans-81.2-3.4-178.556.87000114.7F86 K87 G105F86-D103 WeakPolarHBondContact CA-OD1 3.47Å; F86-D103 VanDerWaalsContact CB-OD1 3.22Å; F86-D103 WeakPolarHBondContact CB-OD1 3.49Å; F86-D103 WeakPolarHBondContact CD1-OD1 3.36Å; K87-D103 WeakPolarHBondContact CB-OD2 3.45Å; K87-D103 PolarHBondContact N-OD1 2.89Å; K87-D103 PolarHBondContact N-OD2 3.11Å; K87-D103 PolarHBondContact O-N 3.24Å; D103-G105 PolarHBondContact O-N 3.33Å
104C82.6Confident78.6Confident29 Ų2945.6 Ų45.620%0.19626%0.259CS..SBendtrans-63.99.3-176.971.90000117.3F86 C102 N106 H114F86-C104 HydrophobicContact CB-CB 4.3Å; F86-C104 VanDerWaalsContact CD1-CA 3.45Å; F86-C104 HydrophobicContact CD1-CB 3.54Å; F86-C104 HydrophobicContact CD2-CB 4.08Å; F86-C104 HydrophobicContact CE1-CB 3.77Å; F86-C104 HydrophobicContact CE2-CB 4.26Å; F86-C104 HydrophobicContact CG-CB 3.69Å; F86-C104 HydrophobicContact CZ-CB 4.12Å; C102-C104 VanDerWaalsContact C-N 3.32Å; C102-C104 PolarHBondContact O-N 3.3Å; C102-C104 PolarHBondContact SG-SG 2.96Å; C104-N106 PolarHBondContact O-N 3.25Å; C104-H114 WeakPolarHBondContact CB-ND1 3.16Å; C104-H114 PolarHBondContact SG-ND1 3.5Å; C104-H114 VanDerWaalsContact SG-ND1 3.41Å
105G67.7Low79.2Confident61 Ų6140.9 Ų40.963%0.62924%0.242SC*.  trans66.74.4172.400000116.1D103 K107D103-G105 PolarHBondContact O-N 3.33Å; G105-K107 PolarHBondContact O-N 3.16Å; G105-K107 VanDerWaalsContact O-N 3.15Å
106N66.9Low79.5Confident88 Ų8838.2 Ų38.247%0.47122%0.224SC..  trans-66.4112.6-179.3-173.2-2.2000110.7C104 G108C104-N106 PolarHBondContact O-N 3.25Å; N106-G108 VanDerWaalsContact C-N 3.29Å; N106-G108 PolarHBondContact OD1-N 3.4Å
107K55.1Low79.9Confident198 Ų19835.1 Ų35.186%0.86121%0.211SC*.  trans-83.9-0.4179.6-57.4-178-177.4177.70113.9G105G105-K107 PolarHBondContact O-N 3.16Å; G105-K107 VanDerWaalsContact O-N 3.15Å
108G57.6Low80.2Confident22 Ų2235.1 Ų35.123%0.22721%0.211CC..SBendtrans-76.3-170.5170.600000111.8N106 S110N106-G108 VanDerWaalsContact C-N 3.29Å; N106-G108 PolarHBondContact OD1-N 3.4Å; G108-S110 PolarHBondContact O-N 2.83Å
109L63Low80.6Confident12 Ų1232.1 Ų32.16%0.06320%0.195CC..  trans-56.3126.7175.4-58.4170.8000110.4F31 W111 V223F31-L109 HydrophobicContact CB-CD1 3.32Å; F31-L109 HydrophobicContact CD1-CD1 3.75Å; F31-L109 HydrophobicContact CG-CD1 3.78Å; L109-W111 PolarHBondContact O-N 3.23Å; L109-V223 HydrophobicContact CD2-CB 4.14Å; L109-V223 HydrophobicContact CD2-CG2 3.37Å
110S67.5Low80.9Confident23 Ų2330.4 Ų30.416%0.16118%0.183CC..SBendtrans-42.3-23.5-173.561.10000118.5G108 C112 Y217 D219G108-S110 PolarHBondContact O-N 2.83Å; S110-C112 PolarHBondContact O-N 3.47Å; S110-Y217 WeakPolarHBondContact OG-CD1 3.3Å; S110-Y217 WeakPolarHBondContact OG-CE1 3.45Å; S110-D219 PolarHBondContact N-OD2 3.02Å; S110-D219 WeakPolarHBondContact OG-CB 3.32Å
111W82.1Confident81.2Confident12 Ų1231.1 Ų31.15%0.04519%0.186CC..  trans-73.161.7176.1-68.584.9000112.6I25 Y28 P43 I97 L109 V115 W216 Y217I25-W111 HydrophobicContact CD1-CH2 4.31Å; I25-W111 HydrophobicContact CD1-CZ3 4.11Å; I25-W111 HydrophobicContact CG2-CZ3 4.24Å; Y28-W111 HydrophobicContact CG-CZ2 4.02Å; P43-W111 VanDerWaalsContact CB-O 3.28Å; P43-W111 WeakPolarHBondContact CB-O 3.43Å; I97-W111 HydrophobicContact CB-CH2 4.08Å; I97-W111 HydrophobicContact CB-CZ2 4.39Å; I97-W111 HydrophobicContact CD1-CH2 3.81Å; I97-W111 HydrophobicContact CD1-CZ3 4.27Å; I97-W111 HydrophobicContact CG2-CH2 4Å; I97-W111 HydrophobicContact CG2-CZ2 4.06Å; L109-W111 PolarHBondContact O-N 3.23Å; W111-V115 HydrophobicContact CD2-CG1 4.45Å; W111-V115 HydrophobicContact CE3-CG1 3.96Å; W111-V115 HydrophobicContact CZ3-CG1 4.32Å; W111-W216 HydrophobicContact CH2-CE3 4.3Å; W111-W216 HydrophobicContact CH2-CZ3 4.11Å; W111-W216 HydrophobicContact CZ2-CE3 4.37Å; W111-Y217 PolarHBondContact NE1-O 3.44Å
112C86.8Confident81.5Confident3 Ų328.7 Ų28.72%0.0217%0.168CC..  trans-71163.8173.471.30000112.2S110 H114 V115 V116S110-C112 PolarHBondContact O-N 3.47Å; C112-H114 PolarHBondContact O-N 3.33Å; C112-H114 VanDerWaalsContact O-N 3.17Å; C112-V115 PolarHBondContact O-N 2.82Å; C112-V115 VanDerWaalsContact O-N 3.1Å; C112-V116 PolarHBondContact O-N 2.68Å; C112-V116 VanDerWaalsContact O-N 3.09Å
113P88.1Confident81.7Confident14 Ų1428.3 Ų28.39%0.09116%0.163CC..Hα-helixtrans-53.5-35.9178.3-29.237.4000114.2P43 Q46 G47 Y50 V116 A117P43-P113 HydrophobicContact CB-CG 4.3Å; Q46-P113 HydrophobicContact CB-CB 3.84Å; Q46-P113 HydrophobicContact CB-CG 3.76Å; Q46-P113 VanDerWaalsContact OE1-CG 3.27Å; G47-P113 WeakPolarHBondContact CA-O 3.41Å; Y50-P113 HydrophobicContact CD2-CB 3.95Å; Y50-P113 HydrophobicContact CE2-CB 3.64Å; P113-V116 PolarHBondContact O-N 3.28Å; P113-A117 WeakPolarHBondContact O-CB 3.35Å; P113-A117 PolarHBondContact O-N 3.33Å
114H89.7Confident82Confident8 Ų830.1 Ų30.14%0.03717%0.165CC..Hα-helixtrans-67.6-39.3179.3-44.8123.5000112.6Y50 V70 F86 V88 C104 C112 A117 L118Y50-H114 AromaticContact CD2-CD2 3.77Å; Y50-H114 AromaticContact CE2-CD2 3.55Å; Y50-H114 AromaticContact CE2-NE2 3.53Å; V70-H114 HydrophobicContact CB-CB 4.04Å; V70-H114 HydrophobicContact CG1-CB 4.45Å; V70-H114 HydrophobicContact CG2-CB 4.08Å; F86-H114 AromaticContact CD2-CE1 3.32Å; F86-H114 WeakPolarHBondContact CD2-CE1 3.07Å; F86-H114 AromaticContact CD2-ND1 3.83Å; F86-H114 AromaticContact CD2-NE2 3.49Å; F86-H114 WeakPolarHBondContact CD2-NE2 3.41Å; F86-H114 AromaticContact CE2-CE1 3.67Å; F86-H114 AromaticContact CE2-NE2 3.89Å; V88-H114 HydrophobicContact CG2-CB 3.71Å; C104-H114 WeakPolarHBondContact CB-ND1 3.16Å; C104-H114 PolarHBondContact SG-ND1 3.5Å; C104-H114 VanDerWaalsContact SG-ND1 3.41Å; C112-H114 PolarHBondContact O-N 3.33Å; C112-H114 VanDerWaalsContact O-N 3.17Å; H114-A117 PolarHBondContact O-N 3.41Å; H114-L118 PolarHBondContact O-N 3.4Å; H114-L118 VanDerWaalsContact O-N 3.12Å
115V90.2Very high82.2Confident0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-63.8-44.3172.4165.60000110.7V88 I90 V100 C102 W111 C112 A119V88-V115 HydrophobicContact CG1-CB 4.49Å; V88-V115 HydrophobicContact CG1-CG2 3.86Å; I90-V115 HydrophobicContact CD1-CG1 4.23Å; V100-V115 HydrophobicContact CB-CG1 3.88Å; V100-V115 HydrophobicContact CB-CG2 3.96Å; V100-V115 HydrophobicContact CG1-CG1 3.73Å; V100-V115 HydrophobicContact CG2-CB 4.43Å; V100-V115 HydrophobicContact CG2-CG1 3.86Å; V100-V115 HydrophobicContact CG2-CG2 3.76Å; C102-V115 HydrophobicContact CB-CG2 4.14Å; W111-V115 HydrophobicContact CD2-CG1 4.45Å; W111-V115 HydrophobicContact CE3-CG1 3.96Å; W111-V115 HydrophobicContact CZ3-CG1 4.32Å; C112-V115 PolarHBondContact O-N 2.82Å; C112-V115 VanDerWaalsContact O-N 3.1Å; V115-A119 WeakPolarHBondContact O-CB 3.49Å; V115-A119 PolarHBondContact O-N 3.04Å
116V90.8Very high82.9Confident0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-61.3-45.8176.6171.40000110.9I25 A29 Y44 C112 P113 L118 A119 L120I25-V116 HydrophobicContact CG2-CG1 4.21Å; I25-V116 HydrophobicContact CG2-CG2 4.45Å; A29-V116 HydrophobicContact CB-CG2 3.61Å; Y44-V116 HydrophobicContact CD2-CG1 4.19Å; C112-V116 PolarHBondContact O-N 2.68Å; C112-V116 VanDerWaalsContact O-N 3.09Å; P113-V116 PolarHBondContact O-N 3.28Å; V116-L118 PolarHBondContact O-N 2.79Å; V116-A119 PolarHBondContact O-N 2.95Å; V116-L120 HydrophobicContact CG1-CD1 3.69Å; V116-L120 HydrophobicContact CG1-CG 4.11Å; V116-L120 WeakPolarHBondContact O-CB 3.32Å; V116-L120 WeakPolarHBondContact O-CG 3.38Å; V116-L120 PolarHBondContact O-N 2.92Å
117A92.2Very high83.7Confident0 Ų031.8 Ų31.80%015%0.152CC..Hα-helixtrans-59.9-46.6-179.300000112G47 V56 V70 P113 H114 L120 F121G47-A117 WeakPolarHBondContact O-CA 3.22Å; G47-A117 WeakPolarHBondContact O-CB 3.43Å; V56-A117 HydrophobicContact CG2-CB 3.76Å; V70-A117 HydrophobicContact CG1-CB 4.27Å; V70-A117 HydrophobicContact CG2-CB 4.35Å; P113-A117 WeakPolarHBondContact O-CB 3.35Å; P113-A117 PolarHBondContact O-N 3.33Å; H114-A117 PolarHBondContact O-N 3.41Å; A117-L120 PolarHBondContact O-N 2.82Å; A117-F121 WeakPolarHBondContact O-CB 3.41Å; A117-F121 PolarHBondContact O-N 3.42Å
118L92.8Very high85Confident0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-65.4-38.8176.4-176.561.9000112.4V56 V59 L66 V88 I90 H114 V116 R122V56-L118 HydrophobicContact CG1-CD1 3.89Å; V59-L118 HydrophobicContact CB-CD1 4.44Å; V59-L118 HydrophobicContact CG1-CD1 3.77Å; V59-L118 HydrophobicContact CG2-CD1 3.86Å; L66-L118 HydrophobicContact CD2-CD1 4.32Å; L66-L118 HydrophobicContact CD2-CD2 4.28Å; L66-L118 HydrophobicContact CD2-CG 3.9Å; L66-L118 HydrophobicContact CG-CD1 4.42Å; L66-L118 HydrophobicContact CG-CD2 4.25Å; L66-L118 HydrophobicContact CG-CG 4.27Å; V88-L118 HydrophobicContact CB-CD2 3.79Å; V88-L118 HydrophobicContact CG1-CB 4.23Å; V88-L118 HydrophobicContact CG1-CD2 3.64Å; I90-L118 HydrophobicContact CD1-CB 4.05Å; I90-L118 HydrophobicContact CD1-CD2 3.96Å; I90-L118 HydrophobicContact CD1-CG 4.02Å; I90-L118 HydrophobicContact CG1-CD2 4.17Å; H114-L118 PolarHBondContact O-N 3.4Å; H114-L118 VanDerWaalsContact O-N 3.12Å; V116-L118 PolarHBondContact O-N 2.79Å; L118-R122 PolarHBondContact O-N 3.5Å; L118-R122 VanDerWaalsContact O-N 3.11Å
119A92.3Very high86.2Confident0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-66.8-41.9176.500000112.5I25 I90 I97 V115 V116 R122 I123I25-A119 HydrophobicContact CD1-CB 3.92Å; I25-A119 HydrophobicContact CG1-CB 4.3Å; I25-A119 HydrophobicContact CG2-CB 4.32Å; I90-A119 HydrophobicContact CD1-CB 4.12Å; I97-A119 HydrophobicContact CD1-CB 4.12Å; V115-A119 WeakPolarHBondContact O-CB 3.49Å; V115-A119 PolarHBondContact O-N 3.04Å; V116-A119 PolarHBondContact O-N 2.95Å; A119-R122 PolarHBondContact O-N 2.88Å; A119-I123 WeakPolarHBondContact O-CG1 3.22Å; A119-I123 PolarHBondContact O-N 2.96Å; A119-I123 VanDerWaalsContact O-N 3.15Å
120L91.9Very high87.1Confident0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-67.6-39.1175.8-71.1176.7000111.8D22 Y44 L48 F51 V116 A117 R122 I123 R124D22-L120 HydrophobicContact CB-CD2 4.36Å; Y44-L120 HydrophobicContact CE2-CD1 4.39Å; Y44-L120 HydrophobicContact CE2-CD2 4.19Å; L48-L120 HydrophobicContact CB-CD1 3.91Å; L48-L120 HydrophobicContact CD1-CD1 4.03Å; F51-L120 HydrophobicContact CB-CB 4.39Å; F51-L120 HydrophobicContact CG-CB 4.27Å; V116-L120 HydrophobicContact CG1-CD1 3.69Å; V116-L120 HydrophobicContact CG1-CG 4.11Å; V116-L120 WeakPolarHBondContact O-CB 3.32Å; V116-L120 WeakPolarHBondContact O-CG 3.38Å; V116-L120 PolarHBondContact O-N 2.92Å; A117-L120 PolarHBondContact O-N 2.82Å; L120-R122 VanDerWaalsContact C-N 3.34Å; L120-R122 PolarHBondContact O-N 2.65Å; L120-I123 PolarHBondContact O-N 2.89Å; L120-R124 WeakPolarHBondContact O-CB 3.38Å; L120-R124 WeakPolarHBondContact O-CG 3.41Å; L120-R124 PolarHBondContact O-N 3.41Å
121F92Very high87.6Confident19 Ų1930.9 Ų30.98%0.08315%0.147CC..Hα-helixtrans-55.5-50172.5-173.5-84.7000111F51 V56 V59 A117 I123 R124 Q125 L128 V129F51-F121 HydrophobicContact CD2-CB 3.93Å; F51-F121 HydrophobicContact CD2-CD2 4.16Å; F51-F121 HydrophobicContact CE2-CB 4.2Å; F51-F121 HydrophobicContact CE2-CD2 4.07Å; F51-F121 HydrophobicContact CE2-CG 4.48Å; V56-F121 HydrophobicContact CB-CB 4.47Å; V56-F121 HydrophobicContact CB-CD2 3.95Å; V56-F121 HydrophobicContact CB-CG 4.35Å; V56-F121 HydrophobicContact CG1-CB 4.11Å; V56-F121 HydrophobicContact CG1-CD2 4.12Å; V56-F121 HydrophobicContact CG1-CG 4.05Å; V59-F121 HydrophobicContact CB-CD1 4.23Å; V59-F121 HydrophobicContact CB-CE1 3.86Å; V59-F121 HydrophobicContact CG1-CD1 3.98Å; V59-F121 HydrophobicContact CG1-CE1 4Å; V59-F121 HydrophobicContact CG2-CD1 3.89Å; V59-F121 HydrophobicContact CG2-CE1 3.73Å; V59-F121 HydrophobicContact CG2-CZ 4.21Å; A117-F121 WeakPolarHBondContact O-CB 3.41Å; A117-F121 PolarHBondContact O-N 3.42Å; F121-I123 VanDerWaalsContact C-N 3.29Å; F121-I123 PolarHBondContact O-N 3.3Å; F121-R124 PolarHBondContact O-N 3.43Å; F121-Q125 VanDerWaalsContact CD2-OE1 3.32Å; F121-Q125 CarbonylContact O-C 3.58Å; F121-Q125 WeakPolarHBondContact O-CA 3.49Å; F121-Q125 PolarHBondContact O-N 2.94Å; F121-L128 HydrophobicContact CE1-CB 4.08Å; F121-L128 HydrophobicContact CZ-CB 3.73Å; F121-L128 HydrophobicContact CZ-CD1 4.35Å; F121-V129 HydrophobicContact CD1-CG2 4.09Å; F121-V129 HydrophobicContact CE1-CG2 3.86Å
122R91.2Very high87Confident10 Ų1036.3 Ų36.34%0.03817%0.167CC..Hα-helixtrans-65.8-26.4179.6178.257.3-176.381.41.9114.3Y15 F18 L66 L118 A119 L120 Y131Y15-R122 PolarHBondContact O-NH2 3.16Å; F18-R122 HydrophobicContact CB-CG 4.48Å; F18-R122 HydrophobicContact CD1-CB 4.19Å; F18-R122 HydrophobicContact CD1-CG 3.42Å; F18-R122 VanDerWaalsContact CD1-CG 3.42Å; F18-R122 HydrophobicContact CD2-CG 3.9Å; F18-R122 HydrophobicContact CE1-CB 3.76Å; F18-R122 HydrophobicContact CE1-CG 3.47Å; F18-R122 VanDerWaalsContact CE1-CG 3.47Å; F18-R122 HydrophobicContact CE2-CG 3.95Å; F18-R122 HydrophobicContact CG-CG 3.66Å; F18-R122 HydrophobicContact CZ-CB 3.97Å; F18-R122 HydrophobicContact CZ-CG 3.74Å; L66-R122 HydrophobicContact CD1-CG 4.45Å; L66-R122 HydrophobicContact CD2-CB 3.7Å; L66-R122 HydrophobicContact CD2-CG 3.92Å; L118-R122 PolarHBondContact O-N 3.5Å; L118-R122 VanDerWaalsContact O-N 3.11Å; A119-R122 PolarHBondContact O-N 2.88Å; L120-R122 VanDerWaalsContact C-N 3.34Å; L120-R122 PolarHBondContact O-N 2.65Å; R122-Y131 PolarHBondContact NE-OH 3.46Å; R122-Y131 PolarHBondContact NH1-OH 3.41Å; R122-Y131 PolarHBondContact NH2-OH 3.4Å
123I90.6Very high85.9Confident30 Ų3036.3 Ų36.315%0.15417%0.167CC..Hα-helixtrans-80.4-45.2175.4-67.6166.1000111.3F18 P19 D22 I25 A119 L120 F121F18-I123 HydrophobicContact CD1-CG1 4.24Å; F18-I123 HydrophobicContact CE1-CG1 4.05Å; P19-I123 WeakPolarHBondContact O-CG1 3.49Å; D22-I123 WeakPolarHBondContact OD1-CG2 3.38Å; I25-I123 HydrophobicContact CD1-CD1 4.13Å; I25-I123 HydrophobicContact CG1-CD1 3.52Å; A119-I123 WeakPolarHBondContact O-CG1 3.22Å; A119-I123 PolarHBondContact O-N 2.96Å; A119-I123 VanDerWaalsContact O-N 3.15Å; L120-I123 PolarHBondContact O-N 2.89Å; F121-I123 VanDerWaalsContact C-N 3.29Å; F121-I123 PolarHBondContact O-N 3.3Å
124R90.4Very high84.8Confident103 Ų10336.2 Ų36.239%0.38917%0.166SC..Hα-helixtrans-91.8-30.3-168.7-65.1174.8168-141.9-2.1114.1D22 F51 L120 F121 P126D22-R124 IonicContact OD1-NE 3.43Å; D22-R124 IonicContact OD2-CZ 3.62Å; D22-R124 VanDerWaalsContact OD2-CZ 3.22Å; D22-R124 IonicContact OD2-NE 2.69Å; D22-R124 PolarHBondContact OD2-NE 3.15Å; D22-R124 IonicContact OD2-NH2 3.19Å; D22-R124 PolarHBondContact OD2-NH2 3.38Å; F51-R124 HydrophobicContact CE1-CB 4.3Å; F51-R124 VanDerWaalsContact CE1-CD 3.42Å; F51-R124 HydrophobicContact CE2-CB 4.28Å; F51-R124 HydrophobicContact CZ-CB 3.72Å; F51-R124 HydrophobicContact CZ-CG 4.39Å; L120-R124 WeakPolarHBondContact O-CB 3.38Å; L120-R124 WeakPolarHBondContact O-CG 3.41Å; L120-R124 PolarHBondContact O-N 3.41Å; F121-R124 PolarHBondContact O-N 3.43Å; R124-P126 WeakPolarHBondContact O-CD 3.21Å
125Q87.2Confident83.4Confident47 Ų4737.2 Ų37.222%0.2217%0.172CC..  trans-124.654.4178.7-71.2172.3-2800111.1F51 F121 H127 L128F51-Q125 HydrophobicContact CE2-CG 4.33Å; F51-Q125 HydrophobicContact CZ-CG 4.31Å; F121-Q125 VanDerWaalsContact CD2-OE1 3.32Å; F121-Q125 CarbonylContact O-C 3.58Å; F121-Q125 WeakPolarHBondContact O-CA 3.49Å; F121-Q125 PolarHBondContact O-N 2.94Å; Q125-H127 PolarHBondContact O-N 3.18Å; Q125-L128 HydrophobicContact CB-CB 4.45Å; Q125-L128 HydrophobicContact CB-CD1 4.07Å; Q125-L128 HydrophobicContact CB-CG 4.3Å; Q125-L128 HydrophobicContact CG-CD1 4.24Å; Q125-L128 PolarHBondContact O-N 3.41Å; Q125-L128 VanDerWaalsContact O-N 3.07Å
126P82.3Confident81.7Confident21 Ų2139.7 Ų39.714%0.13619%0.189CC..THydrogen-bonded Turntrans-67.2-10-174.131.8-38.9000113.8Y15 R124 Y131Y15-P126 HydrophobicContact CE2-CB 3.85Å; Y15-P126 HydrophobicContact CE2-CG 4.5Å; Y15-P126 WeakPolarHBondContact OH-CG 3.4Å; R124-P126 WeakPolarHBondContact O-CD 3.21Å; P126-Y131 VanDerWaalsContact O-CE2 3.22Å; P126-Y131 WeakPolarHBondContact O-CE2 3.43Å; P126-Y131 PolarHBondContact O-OH 2.94Å
127H83.4Confident79.7Confident145 Ų14541.6 Ų41.667%0.67120%0.204SC*.THydrogen-bonded Turntrans-90.4-9.2176.361.6-93.5000113.5Q125 V129Q125-H127 PolarHBondContact O-N 3.18Å; H127-V129 VanDerWaalsContact C-N 3.34Å
128L83.9Confident77.5Confident92 Ų9245.1 Ų45.148%0.48222%0.223SC..SBendtrans-98.524.1175.7-57.6-178.1000112.2F121 Q125F121-L128 HydrophobicContact CE1-CB 4.08Å; F121-L128 HydrophobicContact CZ-CB 3.73Å; F121-L128 HydrophobicContact CZ-CD1 4.35Å; Q125-L128 HydrophobicContact CB-CB 4.45Å; Q125-L128 HydrophobicContact CB-CD1 4.07Å; Q125-L128 HydrophobicContact CB-CG 4.3Å; Q125-L128 HydrophobicContact CG-CD1 4.24Å; Q125-L128 PolarHBondContact O-N 3.41Å; Q125-L128 VanDerWaalsContact O-N 3.07Å
129V82.8Confident75.4Confident7 Ų747 Ų474%0.04223%0.231CC..SBendtrans-118.2122-176.3175.30000108.3V59 Q61 L66 F121 H127 Y131V59-V129 HydrophobicContact CG1-CB 4.46Å; V59-V129 HydrophobicContact CG1-CG1 4.2Å; V59-V129 HydrophobicContact CG1-CG2 3.84Å; Q61-V129 HydrophobicContact CB-CG1 3.67Å; L66-V129 HydrophobicContact CD1-CG1 4.12Å; F121-V129 HydrophobicContact CD1-CG2 4.09Å; F121-V129 HydrophobicContact CE1-CG2 3.86Å; H127-V129 VanDerWaalsContact C-N 3.34Å; V129-Y131 HydrophobicContact CB-CE1 4.47Å; V129-Y131 HydrophobicContact CB-CE2 4.11Å; V129-Y131 HydrophobicContact CG1-CD1 4.45Å; V129-Y131 HydrophobicContact CG1-CE1 4Å; V129-Y131 HydrophobicContact CG1-CE2 4.4Å; V129-Y131 WeakPolarHBondContact O-CD2 3.22Å; V129-Y131 VanDerWaalsContact O-CE2 3.29Å; V129-Y131 WeakPolarHBondContact O-CE2 3.38Å; V129-Y131 PolarHBondContact O-N 2.88Å
130D81Confident73Confident89 Ų8950.3 Ų50.348%0.47625%0.254SS..EExtended strand (participates in β ladder)trans-70.398.5175.6-84.71.5000109.6V59 I60 Q61 R132V59-D130 PolarHBondContact O-N 3.24Å; V59-D130 VanDerWaalsContact O-N 3.14Å; I60-D130 HydrophobicContact CB-CB 4.38Å; I60-D130 HydrophobicContact CG1-CB 4.17Å; I60-D130 HydrophobicContact CG2-CB 4.14Å; Q61-D130 PolarHBondContact N-O 2.85Å; D130-R132 IonicContact OD2-NH2 3.81Å
131Y77.2Confident70.4Confident49 Ų4960.1 Ų60.119%0.19229%0.293CS..EExtended strand (participates in β ladder)trans-75.1138.3171.1-60.9-75.4000110.7I14 Y15 Q61 R122 P126 V129I14-Y131 HydrophobicContact CG2-CD1 4.2Å; Y15-Y131 HydrophobicContact CD2-CE1 4.21Å; Y15-Y131 AromaticContact CD2-CE2 3.93Å; Y15-Y131 HydrophobicContact CD2-CE2 3.93Å; Y15-Y131 AromaticContact CD2-CZ 3.63Å; Y15-Y131 HydrophobicContact CE2-CE2 4.35Å; Q61-Y131 HydrophobicContact CB-CD1 4.07Å; Q61-Y131 HydrophobicContact CB-CE1 4.27Å; Q61-Y131 HydrophobicContact CG-CD1 4.46Å; Q61-Y131 CarbonylContact O-C 3.22Å; Q61-Y131 WeakPolarHBondContact O-CA 3.44Å; R122-Y131 PolarHBondContact NE-OH 3.46Å; R122-Y131 PolarHBondContact NH1-OH 3.41Å; R122-Y131 PolarHBondContact NH2-OH 3.4Å; P126-Y131 VanDerWaalsContact O-CE2 3.22Å; P126-Y131 WeakPolarHBondContact O-CE2 3.43Å; P126-Y131 PolarHBondContact O-OH 2.94Å; V129-Y131 HydrophobicContact CB-CE1 4.47Å; V129-Y131 HydrophobicContact CB-CE2 4.11Å; V129-Y131 HydrophobicContact CG1-CD1 4.45Å; V129-Y131 HydrophobicContact CG1-CE1 4Å; V129-Y131 HydrophobicContact CG1-CE2 4.4Å; V129-Y131 WeakPolarHBondContact O-CD2 3.22Å; V129-Y131 VanDerWaalsContact O-CE2 3.29Å; V129-Y131 WeakPolarHBondContact O-CE2 3.38Å; V129-Y131 PolarHBondContact O-N 2.88Å
132R70.7Confident67.7Low126 Ų12663.3 Ų63.348%0.47532%0.317SS..EExtended strand (participates in β ladder)trans-137.9141.2171.7-61.9-176.9-178.4-88.3-7.9109.5Q61 I62 G63 D130Q61-R132 PolarHBondContact O-N 3.28Å; I62-R132 HydrophobicContact CG1-CB 4.35Å; I62-R132 HydrophobicContact CG2-CB 4.23Å; G63-R132 PolarHBondContact N-O 3.21Å; D130-R132 IonicContact OD2-NH2 3.81Å
133S63.8Low65.2Low2 Ų267 Ų671%0.01434%0.337CS..  trans-54.5155.5173-730000112.1E7E7-S133 WeakPolarHBondContact CG-OG 3.41Å; E7-S133 VanDerWaalsContact OE1-CB 3.28Å; E7-S133 WeakPolarHBondContact OE1-CB 3.46Å; E7-S133 PolarHBondContact OE1-OG 2.81Å
134P64Low62.6Low12 Ų1273 Ų738%0.07837%0.369CS..  trans-59.8145.3177.1-17.733.5000109.8Q10 I14 S136 A137 T205Q10-P134 VanDerWaalsContact OE1-CD 3.28Å; I14-P134 HydrophobicContact CD1-CG 3.99Å; P134-S136 PolarHBondContact O-N 3.44Å; P134-S136 VanDerWaalsContact O-N 3.14Å; P134-A137 WeakPolarHBondContact O-CB 3.32Å; P134-A137 PolarHBondContact O-N 3.32Å; P134-T205 WeakPolarHBondContact CA-OG1 3.21Å
135I61Low60Low30 Ų3074.7 Ų74.715%0.15438%0.384CS..Hα-helixtrans-62.8-29.3-168.9-76172.6000111.5I62 A137 L138 F139 I170 D203 T205I62-I135 HydrophobicContact CG2-CD1 3.95Å; I62-I135 HydrophobicContact CG2-CG1 3.76Å; I135-A137 PolarHBondContact O-N 3.1Å; I135-A137 VanDerWaalsContact O-N 3.16Å; I135-L138 PolarHBondContact O-N 3.12Å; I135-F139 HydrophobicContact CG2-CD2 3.55Å; I135-F139 HydrophobicContact CG2-CE2 3.54Å; I135-F139 WeakPolarHBondContact O-CD2 3.25Å; I135-F139 PolarHBondContact O-N 3.39Å; I135-F139 VanDerWaalsContact O-N 3.1Å; I135-I170 HydrophobicContact CD1-CD1 3.52Å; I135-I170 HydrophobicContact CG2-CD1 4.22Å; I135-D203 PolarHBondContact N-OD2 3.02Å; I135-T205 HydrophobicContact CD1-CG2 3.86Å; I135-T205 HydrophobicContact CG1-CG2 4.22Å; I135-T205 PolarHBondContact N-OG1 3.41Å
136S54.5Low57.6Low52 Ų5282.8 Ų82.836%0.36441%0.414SS..Hα-helixtrans-54.5-25.1169.247.80000115.6P134 D203P134-S136 PolarHBondContact O-N 3.44Å; P134-S136 VanDerWaalsContact O-N 3.14Å; S136-D203 WeakPolarHBondContact CB-OD2 3.49Å; S136-D203 PolarHBondContact N-OD2 3.17Å; S136-D203 PolarHBondContact OG-OD2 3.08Å
137A49.5Very low55.7Low39 Ų3986.5 Ų86.532%0.32243%0.432SS..Hα-helixtrans-80.6-45.3173.800000112.3P134 I135 F139 S140P134-A137 WeakPolarHBondContact O-CB 3.32Å; P134-A137 PolarHBondContact O-N 3.32Å; I135-A137 PolarHBondContact O-N 3.1Å; I135-A137 VanDerWaalsContact O-N 3.16Å; A137-F139 PolarHBondContact O-N 3.01Å; A137-S140 PolarHBondContact O-N 2.9Å
138L44.7Very low53.5Low75 Ų7589.3 Ų89.339%0.39344%0.438SS..Hα-helixtrans-65-25.5179.6-80.4162.2000113.3I135 S140 Y141I135-L138 PolarHBondContact O-N 3.12Å; L138-S140 PolarHBondContact O-N 2.84Å; L138-Y141 PolarHBondContact O-N 2.82Å; L138-Y141 VanDerWaalsContact O-N 3.14Å
139F48Very low51.6Low40 Ų4091 Ų9118%0.17545%0.452CS..THydrogen-bonded Turntrans-63.76.6176.1-104.3-77.5000116I135 A137 I143 R159 A166I135-F139 HydrophobicContact CG2-CD2 3.55Å; I135-F139 HydrophobicContact CG2-CE2 3.54Å; I135-F139 WeakPolarHBondContact O-CD2 3.25Å; I135-F139 PolarHBondContact O-N 3.39Å; I135-F139 VanDerWaalsContact O-N 3.1Å; A137-F139 PolarHBondContact O-N 3.01Å; F139-I143 HydrophobicContact CD1-CD1 3.58Å; F139-I143 HydrophobicContact CD2-CD1 4.42Å; F139-I143 HydrophobicContact CE1-CD1 3.23Å; F139-I143 HydrophobicContact CE2-CD1 4.13Å; F139-I143 HydrophobicContact CG-CD1 4.16Å; F139-I143 HydrophobicContact CZ-CD1 3.51Å; F139-R159 PolarHBondContact O-NH2 2.9Å; F139-A166 HydrophobicContact CE2-CB 3.62Å; F139-A166 HydrophobicContact CZ-CB 3.35Å
140S42.7Very low50Low69 Ų6994.1 Ų94.148%0.48346%0.464SS..THydrogen-bonded Turntrans-107.3-8.7171.2-64.30000115.3A137 L138 R159A137-S140 PolarHBondContact O-N 2.9Å; L138-S140 PolarHBondContact O-N 2.84Å; S140-R159 PolarHBondContact OG-NH2 3.15Å; S140-R159 VanDerWaalsContact OG-NH2 3.14Å
141Y36.7Very low48.4Very low206 Ų20694 Ų9481%0.80846%0.462SS*.THydrogen-bonded Turntrans-140.1-13.1-167.4-78.6-71.6000118.8L138L138-Y141 PolarHBondContact O-N 2.82Å; L138-Y141 VanDerWaalsContact O-N 3.14Å
142S36.1Very low47.1Very low85 Ų8596.5 Ų96.559%0.59448%0.479SS*.  trans-142.838-163.4-49.30000117.6
143I39.3Very low46.3Very low87 Ų8791.4 Ų91.445%0.44646%0.464SS..  trans-123.265.4178.6-47.1-176.4000112.1F139F139-I143 HydrophobicContact CD1-CD1 3.58Å; F139-I143 HydrophobicContact CD2-CD1 4.42Å; F139-I143 HydrophobicContact CE1-CD1 3.23Å; F139-I143 HydrophobicContact CE2-CD1 4.13Å; F139-I143 HydrophobicContact CG-CD1 4.16Å; F139-I143 HydrophobicContact CZ-CD1 3.51Å
144D35.5Very low45.8Very low156 Ų15692.7 Ų92.783%0.83447%0.47SS*.SBendtrans-122.4-9.2171-72.4-63000113.8
145I36.7Very low45.6Very low139 Ų13997.6 Ų97.671%0.71350%0.5SS*.SBendtrans-116-20.1-157.2-59.5-177.1000115.7
146Y36.8Very low45.6Very low217 Ų217103.8 Ų103.885%0.85152%0.521SS*.SBendtrans-130.513.3-162.8-97-73.1000119.6
147I42.2Very low46Very low100 Ų100102 Ų10251%0.51351%0.507SS..  trans-130.571.5178-45.7-178.7000112.6V149 L154I147-V149 VanDerWaalsContact C-N 3.33Å; I147-V149 PolarHBondContact O-N 3.34Å; I147-L154 HydrophobicContact CG2-CD1 3.73Å
148Y36.1Very low46.9Very low203 Ų203104.1 Ų104.180%0.79651%0.513SS*.THydrogen-bonded Turntrans-84.23.8-179.5-118.6-83.8000115.5I151Y148-I151 HydrophobicContact CD1-CD1 3.96Å; Y148-I151 HydrophobicContact CE1-CD1 4.08Å
149V44.8Very low47.5Very low128 Ų128108.8 Ų108.878%0.77653%0.526SS*.THydrogen-bonded Turntrans-108.8-9.2-167.6-177.50000113.8I147I147-V149 VanDerWaalsContact C-N 3.33Å; I147-V149 PolarHBondContact O-N 3.34Å
150Y49.4Very low48.3Very low72 Ų72110 Ų11028%0.28254%0.539SS..  trans-13326.8-172.9-94.4-75.3000114.6D152 A153 L154 L178Y150-D152 PolarHBondContact O-N 3.01Å; Y150-A153 PolarHBondContact O-N 3.48Å; Y150-L154 WeakPolarHBondContact O-CG 3.43Å; Y150-L154 PolarHBondContact O-N 2.89Å; Y150-L178 HydrophobicContact CE2-CD2 4.07Å
151I47.6Very low49.4Very low87 Ų87107.9 Ų107.945%0.44652%0.522SS..Hα-helixtrans-51.7-53.8-168.4-66.9174.9000113.5Y148 A153 L154 V155Y148-I151 HydrophobicContact CD1-CD1 3.96Å; Y148-I151 HydrophobicContact CE1-CD1 4.08Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 3.43Å; I151-L154 PolarHBondContact O-N 2.84Å; I151-V155 HydrophobicContact CG2-CG2 3.91Å; I151-V155 WeakPolarHBondContact O-CB 3.31Å; I151-V155 VanDerWaalsContact O-CG2 3.29Å; I151-V155 WeakPolarHBondContact O-CG2 3.35Å; I151-V155 PolarHBondContact O-N 3.24Å
152D48.5Very low50.7Low102 Ų102100.8 Ų100.855%0.54550%0.497SS..Hα-helixtrans-67.6-27.9-170-169.626.4000114.2Y150 R156Y150-D152 PolarHBondContact O-N 3.01Å; D152-R156 WeakPolarHBondContact O-CD 3.36Å; D152-R156 VanDerWaalsContact O-CG 3.25Å; D152-R156 WeakPolarHBondContact O-CG 3.39Å; D152-R156 PolarHBondContact O-NE 3.42Å; D152-R156 VanDerWaalsContact O-NE 3.13Å; D152-R156 IonicContact OD1-CZ 3.28Å; D152-R156 VanDerWaalsContact OD1-CZ 3.22Å; D152-R156 IonicContact OD1-NE 3.58Å; D152-R156 PolarHBondContact OD1-NE 3.11Å; D152-R156 IonicContact OD1-NH2 2.79Å; D152-R156 PolarHBondContact OD1-NH2 2.83Å; D152-R156 IonicContact OD2-CZ 3.69Å; D152-R156 IonicContact OD2-NE 3.79Å; D152-R156 IonicContact OD2-NH2 2.84Å; D152-R156 PolarHBondContact OD2-NH2 3.13Å
153A55.2Low51.9Low19 Ų1999.6 Ų99.616%0.15748%0.483CS..Hα-helixtrans-79.9-38.3173.500000112.2Y150 I151 M157Y150-A153 PolarHBondContact O-N 3.48Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 3.43Å; A153-M157 VanDerWaalsContact O-CE 3.3Å; A153-M157 WeakPolarHBondContact O-CE 3.34Å
154L53.3Low53.2Low28 Ų2896.2 Ų96.215%0.14747%0.465CS..Hα-helixtrans-76-37-175.8-65.2170.1000112.4I147 Y150 I151 R156 M157 L162 F165I147-L154 HydrophobicContact CG2-CD1 3.73Å; Y150-L154 WeakPolarHBondContact O-CG 3.43Å; Y150-L154 PolarHBondContact O-N 2.89Å; I151-L154 PolarHBondContact O-N 2.84Å; L154-R156 PolarHBondContact O-N 3.02Å; L154-M157 HydrophobicContact CD2-CE 4.04Å; L154-M157 PolarHBondContact O-N 3.2Å; L154-L162 HydrophobicContact CB-CD1 4.43Å; L154-L162 HydrophobicContact CD2-CD1 3.7Å; L154-F165 HydrophobicContact CD2-CD1 3.94Å; L154-F165 HydrophobicContact CD2-CE1 3.79Å; L154-F165 HydrophobicContact CD2-CZ 4.23Å
155V59Low54.7Low115 Ų11589.9 Ų89.970%0.69743%0.429SS*.THydrogen-bonded Turntrans-64.3-26176.7168.80000112.4I151I151-V155 HydrophobicContact CG2-CG2 3.91Å; I151-V155 WeakPolarHBondContact O-CB 3.31Å; I151-V155 VanDerWaalsContact O-CG2 3.29Å; I151-V155 WeakPolarHBondContact O-CG2 3.35Å; I151-V155 PolarHBondContact O-N 3.24Å
156R60.2Low55.8Low161 Ų16184 Ų8461%0.60840%0.402SS*.THydrogen-bonded Turntrans-84.5-11.2178.5-63.7174.4-164.5-149.27113.8D152 L154 L189D152-R156 WeakPolarHBondContact O-CD 3.36Å; D152-R156 VanDerWaalsContact O-CG 3.25Å; D152-R156 WeakPolarHBondContact O-CG 3.39Å; D152-R156 PolarHBondContact O-NE 3.42Å; D152-R156 VanDerWaalsContact O-NE 3.13Å; D152-R156 IonicContact OD1-CZ 3.28Å; D152-R156 VanDerWaalsContact OD1-CZ 3.22Å; D152-R156 IonicContact OD1-NE 3.58Å; D152-R156 PolarHBondContact OD1-NE 3.11Å; D152-R156 IonicContact OD1-NH2 2.79Å; D152-R156 PolarHBondContact OD1-NH2 2.83Å; D152-R156 IonicContact OD2-CZ 3.69Å; D152-R156 IonicContact OD2-NE 3.79Å; D152-R156 IonicContact OD2-NH2 2.84Å; D152-R156 PolarHBondContact OD2-NH2 3.13Å; L154-R156 PolarHBondContact O-N 3.02Å; R156-L189 HydrophobicContact CB-CD2 3.71Å
157M64.9Low56.9Low13 Ų1374.3 Ų74.36%0.06436%0.364CS..SBendtrans-91.8129.5178.2-78.9-174.8-101.400111.2A153 L154 Q161 F165 A185 L188 L189A153-M157 VanDerWaalsContact O-CE 3.3Å; A153-M157 WeakPolarHBondContact O-CE 3.34Å; L154-M157 HydrophobicContact CD2-CE 4.04Å; L154-M157 PolarHBondContact O-N 3.2Å; M157-Q161 HydrophobicContact CB-CB 3.83Å; M157-Q161 HydrophobicContact CG-CB 4.04Å; M157-Q161 HydrophobicContact SD-CB 4.43Å; M157-F165 HydrophobicContact CE-CD2 4.22Å; M157-F165 HydrophobicContact SD-CB 4.3Å; M157-F165 HydrophobicContact SD-CD2 4.45Å; M157-A185 HydrophobicContact CE-CB 3.76Å; M157-L188 HydrophobicContact CG-CB 4.49Å; M157-L188 HydrophobicContact SD-CB 3.65Å; M157-L188 HydrophobicContact SD-CD1 4.17Å; M157-L189 HydrophobicContact CG-CD2 4.14Å; M157-L189 HydrophobicContact CG-CG 4.41Å
158N67.7Low57.9Low84 Ų8472.5 Ų72.545%0.44935%0.352SS..  trans-70.6169.7175.870.639.1000112S160 Q161 L162N158-S160 VanDerWaalsContact C-N 3.28Å; N158-S160 PolarHBondContact O-N 2.83Å; N158-S160 VanDerWaalsContact O-N 3.14Å; N158-S160 PolarHBondContact OD1-N 2.79Å; N158-S160 PolarHBondContact OD1-OG 3.28Å; N158-Q161 VanDerWaalsContact CG-OE1 3.26Å; N158-Q161 PolarHBondContact ND2-OE1 2.68Å; N158-Q161 WeakPolarHBondContact O-CB 3.43Å; N158-Q161 PolarHBondContact O-N 2.9Å; N158-Q161 WeakPolarHBondContact OD1-CG 3.45Å; N158-Q161 PolarHBondContact OD1-N 2.65Å; N158-L162 PolarHBondContact O-N 2.93Å
159R57.8Low59.2Low173 Ų17364.8 Ų64.865%0.65332%0.324SS*.Hα-helixtrans-52.4-40.1-175.3-177.6174.5177.7157.34.2113.9F139 S140 Q163F139-R159 PolarHBondContact O-NH2 2.9Å; S140-R159 PolarHBondContact OG-NH2 3.15Å; S140-R159 VanDerWaalsContact OG-NH2 3.14Å; R159-Q163 WeakPolarHBondContact O-CB 3.49Å; R159-Q163 PolarHBondContact O-N 2.88Å
160S63.9Low59.9Low66 Ų6661.9 Ų61.946%0.46230%0.304SS..Hα-helixtrans-79.3-29.4-179.957.70000112.6N158 K164N158-S160 VanDerWaalsContact C-N 3.28Å; N158-S160 PolarHBondContact O-N 2.83Å; N158-S160 VanDerWaalsContact O-N 3.14Å; N158-S160 PolarHBondContact OD1-N 2.79Å; N158-S160 PolarHBondContact OD1-OG 3.28Å; S160-K164 WeakPolarHBondContact O-CB 3.12Å; S160-K164 WeakPolarHBondContact O-CG 3.41Å; S160-K164 PolarHBondContact O-N 3.15Å
161Q66.8Low60.1Low25 Ų2561.5 Ų61.512%0.11732%0.315CS..Hα-helixtrans-67.8-44169.3-73.7167.8-2900111.9M157 N158 K164 F165 L188 N196M157-Q161 HydrophobicContact CB-CB 3.83Å; M157-Q161 HydrophobicContact CG-CB 4.04Å; M157-Q161 HydrophobicContact SD-CB 4.43Å; N158-Q161 VanDerWaalsContact CG-OE1 3.26Å; N158-Q161 PolarHBondContact ND2-OE1 2.68Å; N158-Q161 WeakPolarHBondContact O-CB 3.43Å; N158-Q161 PolarHBondContact O-N 2.9Å; N158-Q161 WeakPolarHBondContact OD1-CG 3.45Å; N158-Q161 PolarHBondContact OD1-N 2.65Å; Q161-K164 PolarHBondContact O-N 2.61Å; Q161-F165 WeakPolarHBondContact O-CB 3.34Å; Q161-F165 PolarHBondContact O-N 3.17Å; Q161-L188 HydrophobicContact CB-CD2 4.11Å; Q161-L188 HydrophobicContact CG-CD2 4.09Å; Q161-L188 PolarHBondContact NE2-O 3.25Å; Q161-N196 WeakPolarHBondContact CG-OD1 3.47Å; Q161-N196 PolarHBondContact NE2-OD1 3.26Å
162L63.8Low60.5Low56 Ų5658.5 Ų58.529%0.29330%0.302SS..Hα-helixtrans-65.1-38.9177.3-17169.4000111.9L154 N158 F165 A166L154-L162 HydrophobicContact CB-CD1 4.43Å; L154-L162 HydrophobicContact CD2-CD1 3.7Å; N158-L162 PolarHBondContact O-N 2.93Å; L162-F165 WeakPolarHBondContact O-CB 3.33Å; L162-F165 PolarHBondContact O-N 3.22Å; L162-A166 PolarHBondContact O-N 3.08Å
163Q60.2Low60.7Low61 Ų6160 Ų6029%0.28531%0.305SS..Hα-helixtrans-62.9-48.5172.1-174.2179.6-8.500111.2R159 F165 A166 Q167R159-Q163 WeakPolarHBondContact O-CB 3.49Å; R159-Q163 PolarHBondContact O-N 2.88Å; Q163-F165 VanDerWaalsContact C-N 3.32Å; Q163-F165 PolarHBondContact O-N 2.85Å; Q163-A166 PolarHBondContact O-N 2.79Å; Q163-Q167 VanDerWaalsContact O-CG 3.25Å; Q163-Q167 WeakPolarHBondContact O-CG 3.47Å; Q163-Q167 PolarHBondContact O-N 3.21Å; Q163-Q167 PolarHBondContact O-OE1 3.46Å
164K66Low60.7Low16 Ų1663.6 Ų63.67%0.0733%0.327CS..Hα-helixtrans-58.5-42174.4-76.4171.8177.3-170.50111.8S160 Q161 A166 Q167 Y168 L188 I195 N196 T198 A201S160-K164 WeakPolarHBondContact O-CB 3.12Å; S160-K164 WeakPolarHBondContact O-CG 3.41Å; S160-K164 PolarHBondContact O-N 3.15Å; Q161-K164 PolarHBondContact O-N 2.61Å; K164-A166 PolarHBondContact O-N 3Å; K164-Q167 PolarHBondContact O-N 3.42Å; K164-Y168 HydrophobicContact CB-CD2 4.27Å; K164-Y168 HydrophobicContact CB-CE2 4.37Å; K164-Y168 WeakPolarHBondContact O-CD2 3.39Å; K164-Y168 PolarHBondContact O-N 3.5Å; K164-L188 HydrophobicContact CB-CD1 4.36Å; K164-L188 HydrophobicContact CB-CD2 3.82Å; K164-L188 HydrophobicContact CD-CD2 4.12Å; K164-I195 HydrophobicContact CD-CG2 4.37Å; K164-I195 WeakPolarHBondContact CD-O 3.47Å; K164-I195 WeakPolarHBondContact CE-O 3.17Å; K164-I195 PolarHBondContact NZ-O 2.83Å; K164-N196 PolarHBondContact NZ-O 2.64Å; K164-T198 WeakPolarHBondContact CE-O 3.2Å; K164-T198 PolarHBondContact NZ-O 2.93Å; K164-A201 HydrophobicContact CG-CB 4.47Å
165F68.6Low60.5Low22 Ų2267.8 Ų67.810%0.09635%0.35CS..Hα-helixtrans-53.2-54.4178.5176.3-101.5000110.8L154 M157 Q161 L162 Q163 L169 A181 L184 A185 L188L154-F165 HydrophobicContact CD2-CD1 3.94Å; L154-F165 HydrophobicContact CD2-CE1 3.79Å; L154-F165 HydrophobicContact CD2-CZ 4.23Å; M157-F165 HydrophobicContact CE-CD2 4.22Å; M157-F165 HydrophobicContact SD-CB 4.3Å; M157-F165 HydrophobicContact SD-CD2 4.45Å; Q161-F165 WeakPolarHBondContact O-CB 3.34Å; Q161-F165 PolarHBondContact O-N 3.17Å; L162-F165 WeakPolarHBondContact O-CB 3.33Å; L162-F165 PolarHBondContact O-N 3.22Å; Q163-F165 VanDerWaalsContact C-N 3.32Å; Q163-F165 PolarHBondContact O-N 2.85Å; F165-L169 HydrophobicContact CE1-CD2 4.31Å; F165-L169 VanDerWaalsContact O-CB 3.22Å; F165-L169 WeakPolarHBondContact O-CB 3.4Å; F165-L169 PolarHBondContact O-N 3.43Å; F165-A181 WeakPolarHBondContact CE2-O 3.47Å; F165-A181 HydrophobicContact CZ-CB 4.19Å; F165-L184 HydrophobicContact CD2-CB 4.24Å; F165-L184 HydrophobicContact CE2-CB 4.39Å; F165-A185 HydrophobicContact CD2-CB 4.35Å; F165-A185 HydrophobicContact CE2-CB 3.93Å; F165-L188 VanDerWaalsContact CA-CD1 3.4Å; F165-L188 HydrophobicContact CB-CD1 3.6Å; F165-L188 HydrophobicContact CD2-CD1 4.18Å; F165-L188 HydrophobicContact CG-CD1 4.42Å
166A59.9Low60.2Low17 Ų1768.1 Ų68.114%0.1434%0.342CS..Hα-helixtrans-65.8-43.4178.900000112.8F139 L162 Q163 K164 Y168 L169 I170F139-A166 HydrophobicContact CE2-CB 3.62Å; F139-A166 HydrophobicContact CZ-CB 3.35Å; L162-A166 PolarHBondContact O-N 3.08Å; Q163-A166 PolarHBondContact O-N 2.79Å; K164-A166 PolarHBondContact O-N 3Å; A166-Y168 PolarHBondContact O-N 3.35Å; A166-L169 PolarHBondContact O-N 3.48Å; A166-I170 VanDerWaalsContact O-CD1 3.29Å; A166-I170 WeakPolarHBondContact O-CD1 3.34Å; A166-I170 VanDerWaalsContact O-CG1 3.26Å; A166-I170 WeakPolarHBondContact O-CG1 3.43Å; A166-I170 PolarHBondContact O-N 2.86Å
167Q60.1Low60Low12 Ų1264.6 Ų64.66%0.05633%0.334CS..Hα-helixtrans-57.7-46.1177.9-71171.6-49.100111.8Q163 K164 A171 A201Q163-Q167 VanDerWaalsContact O-CG 3.25Å; Q163-Q167 WeakPolarHBondContact O-CG 3.47Å; Q163-Q167 PolarHBondContact O-N 3.21Å; Q163-Q167 PolarHBondContact O-OE1 3.46Å; K164-Q167 PolarHBondContact O-N 3.42Å; Q167-A171 WeakPolarHBondContact O-CB 3.4Å; Q167-A171 PolarHBondContact O-N 2.65Å; Q167-A171 VanDerWaalsContact O-N 3.15Å; Q167-A201 HydrophobicContact CB-CB 3.97Å; Q167-A201 PolarHBondContact NE2-O 3.47Å
168Y63.1Low59.1Low62 Ų6269.5 Ų69.524%0.24336%0.36CS..Hα-helixtrans-73.2-31.3175.8-75.2-68.2000113.2K164 A166 A171 S172 L184 I195 A201K164-Y168 HydrophobicContact CB-CD2 4.27Å; K164-Y168 HydrophobicContact CB-CE2 4.37Å; K164-Y168 WeakPolarHBondContact O-CD2 3.39Å; K164-Y168 PolarHBondContact O-N 3.5Å; A166-Y168 PolarHBondContact O-N 3.35Å; Y168-A171 PolarHBondContact O-N 3.04Å; Y168-S172 WeakPolarHBondContact O-CB 3.3Å; Y168-S172 PolarHBondContact O-N 3.09Å; Y168-L184 HydrophobicContact CG-CD2 4.21Å; Y168-I195 HydrophobicContact CD2-CD1 4.49Å; Y168-I195 HydrophobicContact CD2-CG2 3.93Å; Y168-I195 HydrophobicContact CE2-CB 4.5Å; Y168-I195 HydrophobicContact CE2-CG1 4.36Å; Y168-I195 HydrophobicContact CE2-CG2 3.6Å; Y168-A201 HydrophobicContact CD2-CB 4.1Å; Y168-A201 HydrophobicContact CE1-CB 4.41Å; Y168-A201 HydrophobicContact CE2-CB 3.49Å; Y168-A201 VanDerWaalsContact CE2-CB 3.49Å
169L62.1Low58.4Low42 Ų4269.9 Ų69.922%0.2237%0.367CS..Hα-helixtrans-63.4-43.7175.5-170.573.3000111.1F165 A166 S172 I177 A181 L184F165-L169 HydrophobicContact CE1-CD2 4.31Å; F165-L169 VanDerWaalsContact O-CB 3.22Å; F165-L169 WeakPolarHBondContact O-CB 3.4Å; F165-L169 PolarHBondContact O-N 3.43Å; A166-L169 PolarHBondContact O-N 3.48Å; L169-S172 WeakPolarHBondContact O-CB 3.25Å; L169-S172 PolarHBondContact O-N 3.29Å; L169-S172 VanDerWaalsContact O-N 3.16Å; L169-S172 PolarHBondContact O-OG 3.36Å; L169-I177 HydrophobicContact CD1-CG2 4.39Å; L169-A181 HydrophobicContact CD1-CB 3.71Å; L169-L184 HydrophobicContact CB-CD1 4.42Å
170I59Low58.2Low67 Ų6762.8 Ų62.834%0.34434%0.344SS..Hα-helixtrans-68.9-35.3177.6-64.3156000111.4I135 A166 S172 P204I135-I170 HydrophobicContact CD1-CD1 3.52Å; I135-I170 HydrophobicContact CG2-CD1 4.22Å; A166-I170 VanDerWaalsContact O-CD1 3.29Å; A166-I170 WeakPolarHBondContact O-CD1 3.34Å; A166-I170 VanDerWaalsContact O-CG1 3.26Å; A166-I170 WeakPolarHBondContact O-CG1 3.43Å; A166-I170 PolarHBondContact O-N 2.86Å; I170-S172 VanDerWaalsContact C-N 3.25Å; I170-S172 PolarHBondContact O-N 3.02Å; I170-P204 HydrophobicContact CB-CG 3.84Å; I170-P204 HydrophobicContact CG2-CB 4.25Å; I170-P204 HydrophobicContact CG2-CG 3.59Å
171A55.3Low57.9Low64 Ų6460 Ų6053%0.52933%0.325SS..Hα-helixtrans-71.4-18.7172.300000113.3Q167 Y168Q167-A171 WeakPolarHBondContact O-CB 3.4Å; Q167-A171 PolarHBondContact O-N 2.65Å; Q167-A171 VanDerWaalsContact O-N 3.15Å; Y168-A171 PolarHBondContact O-N 3.04Å
172S54.7Low57.7Low23 Ų2362.3 Ų62.316%0.16134%0.336CS..SBendtrans-81.114117384.90000110.7Y168 L169 I170Y168-S172 WeakPolarHBondContact O-CB 3.3Å; Y168-S172 PolarHBondContact O-N 3.09Å; L169-S172 WeakPolarHBondContact O-CB 3.25Å; L169-S172 PolarHBondContact O-N 3.29Å; L169-S172 VanDerWaalsContact O-N 3.16Å; L169-S172 PolarHBondContact O-OG 3.36Å; I170-S172 VanDerWaalsContact C-N 3.25Å; I170-S172 PolarHBondContact O-N 3.02Å
173H53.3Low57.9Low134 Ų13465.3 Ų65.362%0.6235%0.348SS*.  trans-63.4135.4-172.3-7037.8000111.2N175 K176H173-N175 PolarHBondContact O-N 2.84Å; H173-K176 PolarHBondContact O-N 2.99Å
174P54.9Low58.3Low94 Ų9463.3 Ų63.361%0.6134%0.339SS*.G310 helixtrans-62.6-10.4-174.224.7-35.2000114.2K176 I177P174-K176 VanDerWaalsContact C-N 3.3Å; P174-K176 PolarHBondContact O-N 3.15Å; P174-I177 HydrophobicContact CB-CD1 4.31Å; P174-I177 VanDerWaalsContact O-CD1 3.27Å; P174-I177 WeakPolarHBondContact O-CD1 3.33Å; P174-I177 WeakPolarHBondContact O-CG1 3.2Å
175N48.8Very low58.3Low117 Ų11762.7 Ų62.763%0.62634%0.337SS*.G310 helixtrans-85.93.8178.5-58.80000113H173H173-N175 PolarHBondContact O-N 2.84Å
176K53.8Low58.4Low121 Ų12165 Ų6553%0.52635%0.35SS..G310 helixtrans-14026.3177.7-66.1-169.8179.51800114.4H173 P174 L178 P179 S180H173-K176 PolarHBondContact O-N 2.99Å; P174-K176 VanDerWaalsContact C-N 3.3Å; P174-K176 PolarHBondContact O-N 3.15Å; K176-L178 PolarHBondContact O-N 3.01Å; K176-P179 WeakPolarHBondContact O-CD 3.37Å; K176-S180 WeakPolarHBondContact O-CB 3.5Å; K176-S180 PolarHBondContact O-N 3.19Å; K176-S180 VanDerWaalsContact O-N 3.11Å; K176-S180 PolarHBondContact O-OG 3.28Å
177I55.9Low59Low87 Ų8767.4 Ų67.445%0.44636%0.359SS..Hα-helixtrans-50.2-48.9-171.1-66.3163.1000113.2L169 P174 S180 A181L169-I177 HydrophobicContact CD1-CG2 4.39Å; P174-I177 HydrophobicContact CB-CD1 4.31Å; P174-I177 VanDerWaalsContact O-CD1 3.27Å; P174-I177 WeakPolarHBondContact O-CD1 3.33Å; P174-I177 WeakPolarHBondContact O-CG1 3.2Å; I177-S180 PolarHBondContact O-N 3.09Å; I177-A181 WeakPolarHBondContact O-CB 3.16Å; I177-A181 PolarHBondContact O-N 3.01Å
178L46.1Very low59.5Low117 Ų11766.8 Ų66.861%0.61336%0.356SS*.Hα-helixtrans-65.4-54.9-174.6-81.7161.9000113.9Y150 K176 S180 A181 Q182Y150-L178 HydrophobicContact CE2-CD2 4.07Å; K176-L178 PolarHBondContact O-N 3.01Å; L178-S180 VanDerWaalsContact C-N 3.31Å; L178-S180 PolarHBondContact O-N 3.17Å; L178-A181 PolarHBondContact O-N 3.37Å; L178-Q182 PolarHBondContact O-N 3.46Å; L178-Q182 VanDerWaalsContact O-N 3.14Å
179P52.1Low59.8Low92 Ų9267 Ų6760%0.59736%0.361SS*.Hα-helixtrans-60.5-36.8174.6-26.234.9000113.8K176 Q183K176-P179 WeakPolarHBondContact O-CD 3.37Å; P179-Q183 VanDerWaalsContact O-CB 3.26Å; P179-Q183 WeakPolarHBondContact O-CB 3.3Å; P179-Q183 PolarHBondContact O-N 2.76Å
180S53.6Low60.3Low23 Ų2370.6 Ų70.616%0.16138%0.377CS..Hα-helixtrans-72.7-34.3178.3-69.80000112.6K176 I177 L178 L184K176-S180 WeakPolarHBondContact O-CB 3.5Å; K176-S180 PolarHBondContact O-N 3.19Å; K176-S180 VanDerWaalsContact O-N 3.11Å; K176-S180 PolarHBondContact O-OG 3.28Å; I177-S180 PolarHBondContact O-N 3.09Å; L178-S180 VanDerWaalsContact C-N 3.31Å; L178-S180 PolarHBondContact O-N 3.17Å; S180-L184 VanDerWaalsContact O-CB 3.3Å; S180-L184 WeakPolarHBondContact O-CB 3.49Å; S180-L184 WeakPolarHBondContact O-CD1 3.37Å; S180-L184 WeakPolarHBondContact O-CG 3.41Å; S180-L184 PolarHBondContact O-N 3.21Å
181A58.3Low60.7Low8 Ų872.6 Ų72.67%0.06639%0.394CS..Hα-helixtrans-60.1-52.9171.700000110.9F165 L169 I177 L178 Q183 L184 A185F165-A181 WeakPolarHBondContact CE2-O 3.47Å; F165-A181 HydrophobicContact CZ-CB 4.19Å; L169-A181 HydrophobicContact CD1-CB 3.71Å; I177-A181 WeakPolarHBondContact O-CB 3.16Å; I177-A181 PolarHBondContact O-N 3.01Å; L178-A181 PolarHBondContact O-N 3.37Å; A181-Q183 PolarHBondContact O-N 3.39Å; A181-L184 PolarHBondContact O-N 2.81Å; A181-A185 WeakPolarHBondContact O-CB 3.31Å; A181-A185 PolarHBondContact O-N 3.43Å
182Q61.8Low61.3Low74 Ų7476.3 Ų76.335%0.34640%0.4SS..Hα-helixtrans-59.6-49178.8-167.164.350.700111.2L178 L184 A185 D186L178-Q182 PolarHBondContact O-N 3.46Å; L178-Q182 VanDerWaalsContact O-N 3.14Å; Q182-L184 VanDerWaalsContact C-N 3.25Å; Q182-L184 PolarHBondContact O-N 3.45Å; Q182-A185 PolarHBondContact O-N 3.01Å; Q182-D186 PolarHBondContact NE2-OD1 2.87Å; Q182-D186 WeakPolarHBondContact O-CB 3.49Å; Q182-D186 PolarHBondContact O-N 3.12Å
183Q68.6Low62Low118 Ų11875.9 Ų75.955%0.55140%0.397SS*.Hα-helixtrans-60.1-32.4179.6-178.8172.23400113.5P179 A181 Q187P179-Q183 VanDerWaalsContact O-CB 3.26Å; P179-Q183 WeakPolarHBondContact O-CB 3.3Å; P179-Q183 PolarHBondContact O-N 2.76Å; A181-Q183 PolarHBondContact O-N 3.39Å; Q183-Q187 VanDerWaalsContact CG-NE2 3.28Å; Q183-Q187 WeakPolarHBondContact O-CB 3.47Å; Q183-Q187 VanDerWaalsContact O-CG 3.27Å; Q183-Q187 WeakPolarHBondContact O-CG 3.35Å; Q183-Q187 PolarHBondContact O-N 2.95Å; Q183-Q187 PolarHBondContact O-NE2 2.95Å
184L68Low62.5Low20 Ų2075.8 Ų75.811%0.10540%0.401CS..Hα-helixtrans-78.9-39.8175.9-72.3170.1000112.3F165 Y168 L169 S180 A181 Q182 Q187 L188 I195F165-L184 HydrophobicContact CD2-CB 4.24Å; F165-L184 HydrophobicContact CE2-CB 4.39Å; Y168-L184 HydrophobicContact CG-CD2 4.21Å; L169-L184 HydrophobicContact CB-CD1 4.42Å; S180-L184 VanDerWaalsContact O-CB 3.3Å; S180-L184 WeakPolarHBondContact O-CB 3.49Å; S180-L184 WeakPolarHBondContact O-CD1 3.37Å; S180-L184 WeakPolarHBondContact O-CG 3.41Å; S180-L184 PolarHBondContact O-N 3.21Å; A181-L184 PolarHBondContact O-N 2.81Å; Q182-L184 VanDerWaalsContact C-N 3.25Å; Q182-L184 PolarHBondContact O-N 3.45Å; L184-Q187 PolarHBondContact O-N 2.71Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 WeakPolarHBondContact O-CD1 3.46Å; L184-L188 WeakPolarHBondContact O-CG 3.23Å; L184-L188 PolarHBondContact O-N 2.93Å; L184-I195 HydrophobicContact CD2-CD1 3.83Å
185A66.7Low63.1Low3 Ų372 Ų723%0.02538%0.376CS..Hα-helixtrans-60.3-49.3173.500000111M157 F165 A181 Q182 Q187 L188 L189M157-A185 HydrophobicContact CE-CB 3.76Å; F165-A185 HydrophobicContact CD2-CB 4.35Å; F165-A185 HydrophobicContact CE2-CB 3.93Å; A181-A185 WeakPolarHBondContact O-CB 3.31Å; A181-A185 PolarHBondContact O-N 3.43Å; Q182-A185 PolarHBondContact O-N 3.01Å; A185-Q187 VanDerWaalsContact C-N 3.29Å; A185-Q187 PolarHBondContact O-N 2.96Å; A185-L188 PolarHBondContact O-N 3.09Å; A185-L188 VanDerWaalsContact O-N 3.1Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 VanDerWaalsContact O-CG 3.29Å; A185-L189 WeakPolarHBondContact O-CG 3.41Å; A185-L189 PolarHBondContact O-N 2.83Å
186D70.6Confident64.1Low69 Ų6968.1 Ų68.137%0.36936%0.355SS..Hα-helixtrans-60-39179.4-60.9-18.6000111.7Q182 Q190Q182-D186 PolarHBondContact NE2-OD1 2.87Å; Q182-D186 WeakPolarHBondContact O-CB 3.49Å; Q182-D186 PolarHBondContact O-N 3.12Å; D186-Q190 WeakPolarHBondContact O-CG 3.29Å; D186-Q190 PolarHBondContact O-N 2.85Å
187Q72.3Confident64.8Low68 Ų6867.8 Ų67.832%0.31835%0.354SS..Hα-helixtrans-72.8-32.4175.6-75.9175.14800113.1Q183 L184 A185 S193 I195Q183-Q187 VanDerWaalsContact CG-NE2 3.28Å; Q183-Q187 WeakPolarHBondContact O-CB 3.47Å; Q183-Q187 VanDerWaalsContact O-CG 3.27Å; Q183-Q187 WeakPolarHBondContact O-CG 3.35Å; Q183-Q187 PolarHBondContact O-N 2.95Å; Q183-Q187 PolarHBondContact O-NE2 2.95Å; L184-Q187 PolarHBondContact O-N 2.71Å; A185-Q187 VanDerWaalsContact C-N 3.29Å; A185-Q187 PolarHBondContact O-N 2.96Å; Q187-S193 WeakPolarHBondContact O-CB 3.43Å; Q187-S193 PolarHBondContact O-OG 2.72Å; Q187-I195 HydrophobicContact CB-CD1 4.13Å
188L69.9Low65Low0 Ų066.4 Ų66.40%035%0.349CS..Hα-helixtrans-77-29.7177.3-81.7160.1000112.7M157 Q161 K164 F165 L184 A185 Q190 I195 N196M157-L188 HydrophobicContact CG-CB 4.49Å; M157-L188 HydrophobicContact SD-CB 3.65Å; M157-L188 HydrophobicContact SD-CD1 4.17Å; Q161-L188 HydrophobicContact CB-CD2 4.11Å; Q161-L188 HydrophobicContact CG-CD2 4.09Å; Q161-L188 PolarHBondContact NE2-O 3.25Å; K164-L188 HydrophobicContact CB-CD1 4.36Å; K164-L188 HydrophobicContact CB-CD2 3.82Å; K164-L188 HydrophobicContact CD-CD2 4.12Å; F165-L188 VanDerWaalsContact CA-CD1 3.4Å; F165-L188 HydrophobicContact CB-CD1 3.6Å; F165-L188 HydrophobicContact CD2-CD1 4.18Å; F165-L188 HydrophobicContact CG-CD1 4.42Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 WeakPolarHBondContact O-CD1 3.46Å; L184-L188 WeakPolarHBondContact O-CG 3.23Å; L184-L188 PolarHBondContact O-N 2.93Å; A185-L188 PolarHBondContact O-N 3.09Å; A185-L188 VanDerWaalsContact O-N 3.1Å; L188-Q190 VanDerWaalsContact C-N 3.29Å; L188-Q190 PolarHBondContact O-N 2.81Å; L188-I195 HydrophobicContact CD1-CG2 4.49Å; L188-I195 HydrophobicContact CD2-CG2 3.46Å; L188-I195 VanDerWaalsContact CD2-CG2 3.46Å; L188-I195 HydrophobicContact CG-CG2 3.84Å; L188-N196 PolarHBondContact O-ND2 2.68Å
189L71Confident65.3Low67 Ų6767.5 Ų67.535%0.35137%0.366SS..Hα-helixtrans-71.3-21.5172.5-71164.2000112.9R156 M157 A185 P191R156-L189 HydrophobicContact CB-CD2 3.71Å; M157-L189 HydrophobicContact CG-CD2 4.14Å; M157-L189 HydrophobicContact CG-CG 4.41Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 VanDerWaalsContact O-CG 3.29Å; A185-L189 WeakPolarHBondContact O-CG 3.41Å; A185-L189 PolarHBondContact O-N 2.83Å; L189-P191 WeakPolarHBondContact O-CD 3.46Å
190Q72.6Confident65.5Low117 Ų11765.1 Ų65.155%0.54736%0.359SS..SBendtrans-85.4111.4174.7-72175.816.800111.6D186 L188 E192 S193 N196D186-Q190 WeakPolarHBondContact O-CG 3.29Å; D186-Q190 PolarHBondContact O-N 2.85Å; L188-Q190 VanDerWaalsContact C-N 3.29Å; L188-Q190 PolarHBondContact O-N 2.81Å; Q190-E192 VanDerWaalsContact C-N 3.26Å; Q190-E192 PolarHBondContact O-N 3.21Å; Q190-S193 WeakPolarHBondContact O-CB 3.39Å; Q190-S193 PolarHBondContact O-N 3.25Å; Q190-S193 VanDerWaalsContact O-N 3.09Å; Q190-S193 PolarHBondContact O-OG 3.5Å; Q190-N196 PolarHBondContact O-ND2 2.82Å
191P65.8Low65.3Low108 Ų10864.5 Ų64.570%0.70136%0.355SS*.THydrogen-bonded Turntrans-63.8-29.4-173.224.8-34.4000113.7L189 S193L189-P191 WeakPolarHBondContact O-CD 3.46Å; P191-S193 VanDerWaalsContact C-N 3.27Å; P191-S193 PolarHBondContact O-N 3.27Å
192E69Low65.1Low143 Ų14369.5 Ų69.567%0.66839%0.387SS*.THydrogen-bonded Turntrans-76.1-5.1178.1-84.4-65.512800114.5Q190 K197Q190-E192 VanDerWaalsContact C-N 3.26Å; Q190-E192 PolarHBondContact O-N 3.21Å; E192-K197 WeakPolarHBondContact O-CE 3.2Å; E192-K197 PolarHBondContact O-NZ 3.23Å; E192-K197 IonicContact OE2-NZ 2.91Å; E192-K197 PolarHBondContact OE2-NZ 3.4Å
193S68.8Low64.9Low13 Ų1366.5 Ų66.59%0.09137%0.373CS..SBendtrans-67.9149.9-17281.10000113.5Q187 Q190 P191 I195 N196 K197Q187-S193 WeakPolarHBondContact O-CB 3.43Å; Q187-S193 PolarHBondContact O-OG 2.72Å; Q190-S193 WeakPolarHBondContact O-CB 3.39Å; Q190-S193 PolarHBondContact O-N 3.25Å; Q190-S193 VanDerWaalsContact O-N 3.09Å; Q190-S193 PolarHBondContact O-OG 3.5Å; P191-S193 VanDerWaalsContact C-N 3.27Å; P191-S193 PolarHBondContact O-N 3.27Å; S193-I195 PolarHBondContact O-N 3.5Å; S193-I195 VanDerWaalsContact O-N 3.17Å; S193-N196 PolarHBondContact O-N 2.86Å; S193-N196 PolarHBondContact OG-N 2.92Å; S193-N196 PolarHBondContact OG-ND2 3.3Å; S193-K197 PolarHBondContact O-N 3.3Å
194N63.5Low64.4Low132 Ų13261.9 Ų61.971%0.70635%0.354SS*.Hα-helixtrans-58.8-29175.8-67.6-18.4000112.3K197 T198N194-K197 PolarHBondContact O-N 3.16Å; N194-T198 PolarHBondContact O-N 3.05Å; N194-T198 VanDerWaalsContact O-N 3.16Å
195I68.3Low64.2Low16 Ų1661.1 Ų61.18%0.08235%0.349CS..Hα-helixtrans-70.7-36.7176-65.7-178.3000111.3K164 Y168 L184 Q187 L188 S193 T198K164-I195 HydrophobicContact CD-CG2 4.37Å; K164-I195 WeakPolarHBondContact CD-O 3.47Å; K164-I195 WeakPolarHBondContact CE-O 3.17Å; K164-I195 PolarHBondContact NZ-O 2.83Å; Y168-I195 HydrophobicContact CD2-CD1 4.49Å; Y168-I195 HydrophobicContact CD2-CG2 3.93Å; Y168-I195 HydrophobicContact CE2-CB 4.5Å; Y168-I195 HydrophobicContact CE2-CG1 4.36Å; Y168-I195 HydrophobicContact CE2-CG2 3.6Å; L184-I195 HydrophobicContact CD2-CD1 3.83Å; Q187-I195 HydrophobicContact CB-CD1 4.13Å; L188-I195 HydrophobicContact CD1-CG2 4.49Å; L188-I195 HydrophobicContact CD2-CG2 3.46Å; L188-I195 VanDerWaalsContact CD2-CG2 3.46Å; L188-I195 HydrophobicContact CG-CG2 3.84Å; S193-I195 PolarHBondContact O-N 3.5Å; S193-I195 VanDerWaalsContact O-N 3.17Å; I195-T198 PolarHBondContact O-OG1 2.97Å; I195-T198 VanDerWaalsContact O-OG1 3.12Å
196N69.5Low63.9Low34 Ų3462.9 Ų62.918%0.18236%0.364CS..Hα-helixtrans-70.8-38.6172.8-82.9-44.1000111.6Q161 K164 L188 Q190 S193 T198Q161-N196 WeakPolarHBondContact CG-OD1 3.47Å; Q161-N196 PolarHBondContact NE2-OD1 3.26Å; K164-N196 PolarHBondContact NZ-O 2.64Å; L188-N196 PolarHBondContact O-ND2 2.68Å; Q190-N196 PolarHBondContact O-ND2 2.82Å; S193-N196 PolarHBondContact O-N 2.86Å; S193-N196 PolarHBondContact OG-N 2.92Å; S193-N196 PolarHBondContact OG-ND2 3.3Å; N196-T198 PolarHBondContact O-N 2.77Å
197K67.9Low63.5Low115 Ų11561 Ų6150%0.536%0.362SS..Hα-helixtrans-70.6-21.2-179.1-72167.8174.8161.90115.7E192 S193 N194E192-K197 WeakPolarHBondContact O-CE 3.2Å; E192-K197 PolarHBondContact O-NZ 3.23Å; E192-K197 IonicContact OE2-NZ 2.91Å; E192-K197 PolarHBondContact OE2-NZ 3.4Å; S193-K197 PolarHBondContact O-N 3.3Å; N194-K197 PolarHBondContact O-N 3.16Å
198T61.8Low63Low58 Ų5859.4 Ų59.436%0.35636%0.363SS..SBendtrans-74134.6171.948.60000111.2K164 N194 I195 N196 G200K164-T198 WeakPolarHBondContact CE-O 3.2Å; K164-T198 PolarHBondContact NZ-O 2.93Å; N194-T198 PolarHBondContact O-N 3.05Å; N194-T198 VanDerWaalsContact O-N 3.16Å; I195-T198 PolarHBondContact O-OG1 2.97Å; I195-T198 VanDerWaalsContact O-OG1 3.12Å; N196-T198 PolarHBondContact O-N 2.77Å; T198-G200 PolarHBondContact O-N 3.41Å
199S52.5Low62.6Low139 Ų13962 Ų6297%0.97238%0.381SS*.SBendtrans-64.4-7.6-175.2-41.40000115.1
200G55Low61.8Low42 Ų4266.4 Ų66.443%0.43340%0.404SS..  trans171.5148.1175.500000108.4T198T198-G200 PolarHBondContact O-N 3.41Å
201A50.5Low60.9Low11 Ų1168.2 Ų68.29%0.09141%0.412CS..PPolyproline II helixtrans-78139.4159.900000107.5K164 Q167 Y168 D203K164-A201 HydrophobicContact CG-CB 4.47Å; Q167-A201 HydrophobicContact CB-CB 3.97Å; Q167-A201 PolarHBondContact NE2-O 3.47Å; Y168-A201 HydrophobicContact CD2-CB 4.1Å; Y168-A201 HydrophobicContact CE1-CB 4.41Å; Y168-A201 HydrophobicContact CE2-CB 3.49Å; Y168-A201 VanDerWaalsContact CE2-CB 3.49Å; A201-D203 PolarHBondContact O-N 2.9Å
202P53.6Low60.8Low113 Ų11367.2 Ų67.273%0.73440%0.401SS*.PPolyproline II helixtrans-57.8129.3163.326.6-32.2000107.5P204P202-P204 WeakPolarHBondContact O-CD 3.43Å
203D58.1Low60.5Low11 Ų1166.3 Ų66.36%0.05941%0.405CS..PPolyproline II helixtrans-59.5119.4169.8173.7-3.3000107.2I135 S136 A201 T205 A206I135-D203 PolarHBondContact N-OD2 3.02Å; S136-D203 WeakPolarHBondContact CB-OD2 3.49Å; S136-D203 PolarHBondContact N-OD2 3.17Å; S136-D203 PolarHBondContact OG-OD2 3.08Å; A201-D203 PolarHBondContact O-N 2.9Å; D203-T205 VanDerWaalsContact CG-OG1 3.29Å; D203-T205 PolarHBondContact O-N 3.5Å; D203-T205 VanDerWaalsContact O-N 3.15Å; D203-T205 WeakPolarHBondContact OD1-CA 3.38Å; D203-T205 WeakPolarHBondContact OD1-CB 3.28Å; D203-T205 PolarHBondContact OD1-N 2.91Å; D203-T205 PolarHBondContact OD1-OG1 3.2Å; D203-T205 PolarHBondContact OD2-OG1 3.28Å; D203-A206 HydrophobicContact CB-CB 3.81Å; D203-A206 WeakPolarHBondContact O-CB 3.5Å; D203-A206 PolarHBondContact O-N 2.75Å
204P58.2Low60.4Low21 Ų2166.1 Ų66.114%0.13641%0.405CS..THydrogen-bonded Turntrans-60.2-27.6-17924.5-33.7000111.6H65 I170 P202 A206H65-P204 PolarHBondContact CE1-O 2.59Å; H65-P204 PolarHBondContact ND1-O 3.02Å; H65-P204 VanDerWaalsContact ND1-O 3.13Å; H65-P204 PolarHBondContact NE2-O 2.98Å; I170-P204 HydrophobicContact CB-CG 3.84Å; I170-P204 HydrophobicContact CG2-CB 4.25Å; I170-P204 HydrophobicContact CG2-CG 3.59Å; P202-P204 WeakPolarHBondContact O-CD 3.43Å; P204-A206 VanDerWaalsContact C-N 3.34Å
205T63.1Low61Low3 Ų360.8 Ų60.82%0.01838%0.379CS..THydrogen-bonded Turntrans-85.6-1.717665.50000113.8I62 G63 F64 H65 P134 I135 D203I62-T205 HydrophobicContact CB-CG2 4.14Å; I62-T205 HydrophobicContact CG2-CG2 3.88Å; I62-T205 WeakPolarHBondContact O-CB 3.41Å; G63-T205 CarbonylContact C-O 3.6Å; G63-T205 WeakPolarHBondContact CA-O 3.12Å; F64-T205 WeakPolarHBondContact CD2-O 3.46Å; F64-T205 PolarHBondContact N-O 3.06Å; H65-T205 HydrophobicContact CB-CG2 4.49Å; P134-T205 WeakPolarHBondContact CA-OG1 3.21Å; I135-T205 HydrophobicContact CD1-CG2 3.86Å; I135-T205 HydrophobicContact CG1-CG2 4.22Å; I135-T205 PolarHBondContact N-OG1 3.41Å; D203-T205 VanDerWaalsContact CG-OG1 3.29Å; D203-T205 PolarHBondContact O-N 3.5Å; D203-T205 VanDerWaalsContact O-N 3.15Å; D203-T205 WeakPolarHBondContact OD1-CA 3.38Å; D203-T205 WeakPolarHBondContact OD1-CB 3.28Å; D203-T205 PolarHBondContact OD1-N 2.91Å; D203-T205 PolarHBondContact OD1-OG1 3.2Å; D203-T205 PolarHBondContact OD2-OG1 3.28Å
206A59.8Low61.8Low41 Ų4161.1 Ų61.134%0.33938%0.379SS..SBendtrans-89.2154.6166.400000111.1D203 P204D203-A206 HydrophobicContact CB-CB 3.81Å; D203-A206 WeakPolarHBondContact O-CB 3.5Å; D203-A206 PolarHBondContact O-N 2.75Å; P204-A206 VanDerWaalsContact C-N 3.34Å
207G62.6Low62.5Low30 Ų3062.1 Ų62.131%0.30938%0.381SS..PPolyproline II helixtrans-70.3171.4177.300000112.8
208G62.3Low63.1Low34 Ų3457 Ų5735%0.35136%0.359SS..PPolyproline II helixtrans-59.6157.1172.800000112.2
209S60.1Low64Low53 Ų5355.3 Ų55.337%0.37135%0.348SS..PPolyproline II helixtrans-62.6162173.372.50000111Q211 D212S209-Q211 PolarHBondContact O-N 3.47Å; S209-Q211 VanDerWaalsContact O-N 3.09Å; S209-D212 WeakPolarHBondContact CA-OD2 3.45Å; S209-D212 VanDerWaalsContact CB-OD2 3.26Å; S209-D212 WeakPolarHBondContact CB-OD2 3.19Å; S209-D212 PolarHBondContact N-OD2 3.16Å; S209-D212 PolarHBondContact O-N 2.59Å; S209-D212 VanDerWaalsContact OG-CG 3.22Å; S209-D212 PolarHBondContact OG-N 2.81Å; S209-D212 PolarHBondContact OG-OD2 2.83Å
210L54.3Low65.4Low160 Ų16051.5 Ų51.584%0.83831%0.314SS*.THydrogen-bonded Turntrans-58.6-26.9178.5-159.279.3000112.1
211Q55.3Low66.5Low155 Ų15552.8 Ų52.872%0.72432%0.321SS*.THydrogen-bonded Turntrans-85.2-21.5179.4-66.574.317.100113.4S209S209-Q211 PolarHBondContact O-N 3.47Å; S209-Q211 VanDerWaalsContact O-N 3.09Å
212D62.1Low67.7Low87 Ų8752.7 Ų52.747%0.46532%0.321SS..SBendtrans-67.9142.8176.2-71.7-57.4000110.7R94 S209R94-D212 VanDerWaalsContact CZ-O 3.25Å; R94-D212 PolarHBondContact NH1-O 3.12Å; R94-D212 PolarHBondContact NH2-O 2.84Å; S209-D212 WeakPolarHBondContact CA-OD2 3.45Å; S209-D212 VanDerWaalsContact CB-OD2 3.26Å; S209-D212 WeakPolarHBondContact CB-OD2 3.19Å; S209-D212 PolarHBondContact N-OD2 3.16Å; S209-D212 PolarHBondContact O-N 2.59Å; S209-D212 VanDerWaalsContact OG-CG 3.22Å; S209-D212 PolarHBondContact OG-N 2.81Å; S209-D212 PolarHBondContact OG-OD2 2.83Å
213V62.4Low68.9Low125 Ų12547.3 Ų47.376%0.75829%0.286SS*.  trans-95.8100.5178.4-178.70000109.9A215V213-A215 PolarHBondContact O-N 3.36Å
214A67Low70.1Confident9 Ų949 Ų497%0.07429%0.292CS..  trans-60.1106.6170.100000110.2D93 R94 K96D93-A214 HydrophobicContact CB-CB 4.41Å; R94-A214 HydrophobicContact CB-CB 4.1Å; K96-A214 HydrophobicContact CD-CB 4.42Å; K96-A214 VanDerWaalsContact CD-O 3.29Å; K96-A214 WeakPolarHBondContact CD-O 3.26Å; K96-A214 WeakPolarHBondContact CE-O 3.27Å; K96-A214 PolarHBondContact NZ-O 3.02Å
215A76.2Confident71.1Confident20 Ų2052.7 Ų52.717%0.16531%0.307CS..  trans-114.2149.9170.600000109.1V213V213-A215 PolarHBondContact O-N 3.36Å
216W84.9Confident71.8Confident22 Ų2254.3 Ų54.38%0.08332%0.315CS..  trans-61.2153174.6-79.9101.4000111.4P19 D24 I25 Y28 K96 I97 W111 L218 N482P19-W216 HydrophobicContact CB-CH2 3.59Å; P19-W216 HydrophobicContact CB-CZ2 4.23Å; P19-W216 HydrophobicContact CB-CZ3 4.44Å; P19-W216 HydrophobicContact CG-CH2 3.42Å; P19-W216 VanDerWaalsContact CG-CH2 3.42Å; P19-W216 HydrophobicContact CG-CZ2 4.19Å; P19-W216 HydrophobicContact CG-CZ3 3.86Å; D24-W216 HydrophobicContact CB-CH2 3.83Å; D24-W216 HydrophobicContact CB-CZ2 3.61Å; I25-W216 HydrophobicContact CD1-CH2 4.33Å; I25-W216 HydrophobicContact CD1-CZ3 4.22Å; Y28-W216 HydrophobicContact CD2-CB 4.27Å; Y28-W216 HydrophobicContact CD2-CD2 4.1Å; Y28-W216 HydrophobicContact CD2-CE3 4.07Å; Y28-W216 HydrophobicContact CD2-CG 4.22Å; Y28-W216 HydrophobicContact CE1-CB 3.98Å; Y28-W216 HydrophobicContact CE2-CB 3.52Å; Y28-W216 AromaticContact CE2-CD1 3.91Å; Y28-W216 AromaticContact CE2-CD2 3.81Å; Y28-W216 HydrophobicContact CE2-CD2 3.81Å; Y28-W216 HydrophobicContact CE2-CE3 4.25Å; Y28-W216 AromaticContact CE2-CG 3.5Å; Y28-W216 HydrophobicContact CE2-CG 3.5Å; Y28-W216 VanDerWaalsContact CE2-CG 3.5Å; Y28-W216 AromaticContact CZ-CG 3.87Å; Y28-W216 WeakPolarHBondContact OH-CB 3.35Å; K96-W216 HydrophobicContact CB-CD2 4.05Å; K96-W216 HydrophobicContact CB-CG 4.22Å; K96-W216 HydrophobicContact CD-CG 4.44Å; K96-W216 HydrophobicContact CG-CD2 4.35Å; K96-W216 HydrophobicContact CG-CG 4.36Å; I97-W216 HydrophobicContact CB-CE3 4.04Å; I97-W216 HydrophobicContact CB-CZ3 3.94Å; I97-W216 HydrophobicContact CD1-CZ3 4.34Å; I97-W216 HydrophobicContact CG1-CZ3 4.27Å; I97-W216 CarbonylContact O-C 3.59Å; I97-W216 VanDerWaalsContact O-CA 3.32Å; I97-W216 WeakPolarHBondContact O-CA 3.47Å; W111-W216 HydrophobicContact CH2-CE3 4.3Å; W111-W216 HydrophobicContact CH2-CZ3 4.11Å; W111-W216 HydrophobicContact CZ2-CE3 4.37Å; W216-L218 PolarHBondContact O-N 3.04Å; W216-L218 VanDerWaalsContact O-N 3.12Å; W216-N482 WeakPolarHBondContact CB-ND2 3.34Å; W216-N482 PolarHBondContact O-ND2 2.99Å
217Y84Confident72.9Confident56 Ų5652.4 Ų52.422%0.2230%0.299CS..  trans-73110.1-178.9-173.1-128.8000112.1I97 I98 V100 S110 W111 D219I97-Y217 PolarHBondContact O-N 3.12Å; I98-Y217 WeakPolarHBondContact O-CD2 3.34Å; V100-Y217 HydrophobicContact CB-CD1 4.27Å; V100-Y217 HydrophobicContact CG1-CD1 4.19Å; V100-Y217 HydrophobicContact CG2-CD1 3.73Å; V100-Y217 HydrophobicContact CG2-CE1 3.77Å; S110-Y217 WeakPolarHBondContact OG-CD1 3.3Å; S110-Y217 WeakPolarHBondContact OG-CE1 3.45Å; W111-Y217 PolarHBondContact NE1-O 3.44Å; Y217-D219 HydrophobicContact CE1-CB 4.22Å
218L81.9Confident73.8Confident8 Ų855.9 Ų55.94%0.04230%0.302CS..  trans-109.4114.2166.1-175.567000108.5F31 W216 E220 V223 N482 R485 L486 L489F31-L218 HydrophobicContact CE1-CD1 3.92Å; F31-L218 HydrophobicContact CE2-CD1 4.34Å; F31-L218 HydrophobicContact CZ-CD1 3.55Å; W216-L218 PolarHBondContact O-N 3.04Å; W216-L218 VanDerWaalsContact O-N 3.12Å; L218-E220 PolarHBondContact O-N 3.4Å; L218-V223 HydrophobicContact CD1-CG2 3.92Å; L218-V223 HydrophobicContact CG-CG2 4.32Å; L218-N482 HydrophobicContact CD2-CB 4.35Å; L218-R485 HydrophobicContact CD2-CB 4.49Å; L218-R485 HydrophobicContact CD2-CG 4.39Å; L218-L486 HydrophobicContact CD2-CB 4.06Å; L218-L489 HydrophobicContact CD2-CD1 3.94Å
219D79.8Confident74.5Confident22 Ų2257.6 Ų57.612%0.11831%0.306CS..  trans-70.191172.2164.625.3000110.2S110 Y217 A221 G222 V223S110-D219 PolarHBondContact N-OD2 3.02Å; S110-D219 WeakPolarHBondContact OG-CB 3.32Å; Y217-D219 HydrophobicContact CE1-CB 4.22Å; D219-A221 PolarHBondContact O-N 2.69Å; D219-A221 PolarHBondContact OD1-N 3.36Å; D219-A221 VanDerWaalsContact OD1-N 3.1Å; D219-G222 VanDerWaalsContact CG-N 3.34Å; D219-G222 PolarHBondContact OD1-N 3.02Å; D219-G222 WeakPolarHBondContact OD2-CA 3.38Å; D219-G222 PolarHBondContact OD2-N 3.09Å; D219-V223 WeakPolarHBondContact O-CB 3.26Å; D219-V223 VanDerWaalsContact O-CG2 3.24Å; D219-V223 WeakPolarHBondContact O-CG2 3.49Å; D219-V223 PolarHBondContact O-N 2.91Å
220E82.3Confident75.2Confident58 Ų5855.5 Ų55.527%0.27129%0.29SS..Hα-helixtrans-60.5-30.3178.2-58.8-162.1-167.900112.7L218 R224 R485 L489L218-E220 PolarHBondContact O-N 3.4Å; E220-R224 VanDerWaalsContact O-CB 3.27Å; E220-R224 WeakPolarHBondContact O-CB 2.99Å; E220-R224 WeakPolarHBondContact O-CG 3.2Å; E220-R224 PolarHBondContact O-N 3.11Å; E220-R224 IonicContact OE2-NE 2.76Å; E220-R224 IonicContact OE2-NH2 3.75Å; E220-R485 IonicContact OE1-CZ 3.9Å; E220-R485 IonicContact OE1-NE 2.69Å; E220-R485 PolarHBondContact OE1-NE 2.96Å; E220-R485 IonicContact OE1-NH2 2.68Å; E220-R485 PolarHBondContact OE1-NH2 2.98Å; E220-L489 HydrophobicContact CB-CD1 4.09Å; E220-L489 HydrophobicContact CB-CD2 4.09Å; E220-L489 HydrophobicContact CG-CD1 3.97Å; E220-L489 HydrophobicContact CG-CD2 4.02Å; E220-L489 VanDerWaalsContact OE2-CD2 3.31Å; E220-L489 WeakPolarHBondContact OE2-CD2 3.38Å
221A78.1Confident76.2Confident70 Ų7047.9 Ų47.958%0.57925%0.251SS*.Hα-helixtrans-71.9-50.8-176.100000110.5D219 V223 R224 E225D219-A221 PolarHBondContact O-N 2.69Å; D219-A221 PolarHBondContact OD1-N 3.36Å; D219-A221 VanDerWaalsContact OD1-N 3.1Å; A221-V223 PolarHBondContact O-N 2.9Å; A221-R224 PolarHBondContact O-N 3.15Å; A221-E225 WeakPolarHBondContact O-CB 3.24Å; A221-E225 PolarHBondContact O-N 2.79Å
222G75.5Confident77Confident9 Ų942.7 Ų42.79%0.09323%0.23CC..Hα-helixtrans-60.9-40.6172.600000112.6D219 E225 Q226D219-G222 VanDerWaalsContact CG-N 3.34Å; D219-G222 PolarHBondContact OD1-N 3.02Å; D219-G222 WeakPolarHBondContact OD2-CA 3.38Å; D219-G222 PolarHBondContact OD2-N 3.09Å; G222-E225 PolarHBondContact O-N 3.27Å; G222-Q226 WeakPolarHBondContact O-CB 3.3Å; G222-Q226 PolarHBondContact O-N 3.38Å
223V79.4Confident77.3Confident0 Ų040.1 Ų40.10%022%0.216CC..Hα-helixtrans-59.8-50.9174.2168.20000111.3L109 L218 D219 A221 L227 M468 L486 L489L109-V223 HydrophobicContact CD2-CB 4.14Å; L109-V223 HydrophobicContact CD2-CG2 3.37Å; L218-V223 HydrophobicContact CD1-CG2 3.92Å; L218-V223 HydrophobicContact CG-CG2 4.32Å; D219-V223 WeakPolarHBondContact O-CB 3.26Å; D219-V223 VanDerWaalsContact O-CG2 3.24Å; D219-V223 WeakPolarHBondContact O-CG2 3.49Å; D219-V223 PolarHBondContact O-N 2.91Å; A221-V223 PolarHBondContact O-N 2.9Å; V223-L227 HydrophobicContact CG1-CD1 3.8Å; V223-L227 WeakPolarHBondContact O-CB 3.44Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.34Å; V223-L227 PolarHBondContact O-N 3.49Å; V223-M468 HydrophobicContact CG1-CE 3.91Å; V223-L486 HydrophobicContact CG1-CD1 3.75Å; V223-L486 HydrophobicContact CG2-CD1 4.3Å; V223-L489 HydrophobicContact CB-CD1 3.9Å; V223-L489 HydrophobicContact CG1-CB 3.95Å; V223-L489 HydrophobicContact CG1-CD1 3.53Å; V223-L489 HydrophobicContact CG1-CG 4.38Å; V223-L489 HydrophobicContact CG2-CD1 4.35Å
224R83.9Confident77.5Confident46 Ų4635.9 Ų35.917%0.17419%0.189CC..Hα-helixtrans-64.5-40.5-178.5-73.8174.1-172-83.32.8111.5E220 A221 L227 R228 L489 E492 E493E220-R224 VanDerWaalsContact O-CB 3.27Å; E220-R224 WeakPolarHBondContact O-CB 2.99Å; E220-R224 WeakPolarHBondContact O-CG 3.2Å; E220-R224 PolarHBondContact O-N 3.11Å; E220-R224 IonicContact OE2-NE 2.76Å; E220-R224 IonicContact OE2-NH2 3.75Å; A221-R224 PolarHBondContact O-N 3.15Å; R224-L227 WeakPolarHBondContact O-CB 3.43Å; R224-L227 PolarHBondContact O-N 2.94Å; R224-R228 VanDerWaalsContact O-CG 3.28Å; R224-R228 WeakPolarHBondContact O-CG 3.34Å; R224-R228 PolarHBondContact O-N 3.35Å; R224-L489 HydrophobicContact CG-CD2 4.29Å; R224-L489 VanDerWaalsContact CZ-CD2 3.46Å; R224-E492 IonicContact CZ-OE2 2.87Å; R224-E492 VanDerWaalsContact CZ-OE2 3.3Å; R224-E492 IonicContact NH1-OE2 2.69Å; R224-E492 PolarHBondContact NH1-OE2 3.27Å; R224-E492 IonicContact NH2-OE2 2.67Å; R224-E492 PolarHBondContact NH2-OE2 3.47Å; R224-E493 HydrophobicContact CB-CG 4.13Å; R224-E493 WeakPolarHBondContact CD-OE1 3.35Å; R224-E493 HydrophobicContact CG-CG 3.95Å; R224-E493 WeakPolarHBondContact CG-OE1 3.38Å; R224-E493 IonicContact CZ-OE1 2.71Å; R224-E493 IonicContact NH1-OE1 3.22Å; R224-E493 PolarHBondContact NH1-OE1 3.01Å
225E78.7Confident77.4Confident99 Ų9936 Ų3646%0.46319%0.189SC..Hα-helixtrans-71-41.9-179.4-163.755.8-153.600112.1A221 G222 L227 R228 V229A221-E225 WeakPolarHBondContact O-CB 3.24Å; A221-E225 PolarHBondContact O-N 2.79Å; G222-E225 PolarHBondContact O-N 3.27Å; E225-L227 VanDerWaalsContact C-N 3.3Å; E225-L227 PolarHBondContact O-N 2.93Å; E225-R228 PolarHBondContact O-N 2.91Å; E225-R228 VanDerWaalsContact O-N 3.11Å; E225-R228 WeakPolarHBondContact OE2-CD 3.36Å; E225-R228 IonicContact OE2-CZ 3.92Å; E225-R228 IonicContact OE2-NH1 2.68Å; E225-R228 PolarHBondContact OE2-NH1 3.49Å; E225-V229 WeakPolarHBondContact O-CG2 3.39Å; E225-V229 PolarHBondContact O-N 2.87Å
226Q78.4Confident76.6Confident37 Ų3737.7 Ų37.717%0.17320%0.2CC..Hα-helixtrans-59.9-39.6172.2-173.2165.569.900111.8G222 E230 Q464G222-Q226 WeakPolarHBondContact O-CB 3.3Å; G222-Q226 PolarHBondContact O-N 3.38Å; Q226-E230 PolarHBondContact O-N 2.97Å; Q226-Q464 VanDerWaalsContact OE1-NE2 3.08Å
227L81.5Confident75Confident1 Ų141.8 Ų41.81%0.00522%0.223CC..Hα-helixtrans-62.6-41.7172.1-77.8165000112.7V223 R224 E225 E230 L231 I465 M468 L489 I490 E493V223-L227 HydrophobicContact CG1-CD1 3.8Å; V223-L227 WeakPolarHBondContact O-CB 3.44Å; V223-L227 VanDerWaalsContact O-CG 3.3Å; V223-L227 WeakPolarHBondContact O-CG 3.34Å; V223-L227 PolarHBondContact O-N 3.49Å; R224-L227 WeakPolarHBondContact O-CB 3.43Å; R224-L227 PolarHBondContact O-N 2.94Å; E225-L227 VanDerWaalsContact C-N 3.3Å; E225-L227 PolarHBondContact O-N 2.93Å; L227-E230 PolarHBondContact O-N 2.83Å; L227-L231 WeakPolarHBondContact O-CB 3.4Å; L227-L231 WeakPolarHBondContact O-CG 3.45Å; L227-L231 PolarHBondContact O-N 3.45Å; L227-I465 HydrophobicContact CD2-CG1 4.5Å; L227-M468 HydrophobicContact CD1-CE 4.23Å; L227-M468 HydrophobicContact CD2-CE 4Å; L227-M468 HydrophobicContact CD2-SD 3.72Å; L227-M468 HydrophobicContact CG-CE 3.86Å; L227-M468 HydrophobicContact CG-SD 4.15Å; L227-L489 HydrophobicContact CD1-CB 4.5Å; L227-I490 HydrophobicContact CD1-CB 4.5Å; L227-I490 HydrophobicContact CD1-CG1 3.96Å; L227-I490 HydrophobicContact CD2-CG1 4.12Å; L227-E493 HydrophobicContact CB-CB 4.25Å; L227-E493 HydrophobicContact CB-CG 4.37Å; L227-E493 HydrophobicContact CD1-CB 4.4Å; L227-E493 HydrophobicContact CD1-CG 4.27Å
228R81.7Confident73.1Confident102 Ų10241.1 Ų41.139%0.38523%0.234SC..Hα-helixtrans-67.9-37.8179.1-71.6164.6-165.2151.63.3112.9R224 E225 T232 E493R224-R228 VanDerWaalsContact O-CG 3.28Å; R224-R228 WeakPolarHBondContact O-CG 3.34Å; R224-R228 PolarHBondContact O-N 3.35Å; E225-R228 PolarHBondContact O-N 2.91Å; E225-R228 VanDerWaalsContact O-N 3.11Å; E225-R228 WeakPolarHBondContact OE2-CD 3.36Å; E225-R228 IonicContact OE2-CZ 3.92Å; E225-R228 IonicContact OE2-NH1 2.68Å; E225-R228 PolarHBondContact OE2-NH1 3.49Å; R228-T232 VanDerWaalsContact O-CB 3.23Å; R228-T232 WeakPolarHBondContact O-CB 3.29Å; R228-T232 PolarHBondContact O-N 3.12Å; R228-T232 PolarHBondContact O-OG1 2.69Å; R228-E493 IonicContact CZ-OE1 2.64Å; R228-E493 IonicContact CZ-OE2 2.68Å; R228-E493 IonicContact NE-OE1 3.86Å; R228-E493 IonicContact NE-OE2 2.93Å; R228-E493 PolarHBondContact NE-OE2 3.34Å; R228-E493 IonicContact NH2-OE1 2.91Å; R228-E493 PolarHBondContact NH2-OE1 3.01Å; R228-E493 IonicContact NH2-OE2 3.93Å; R228-E493 PolarHBondContact NH2-OE2 3.34Å
229V77.1Confident70.8Confident71 Ų7147.8 Ų47.843%0.4327%0.269SS..Hα-helixtrans-63.4-53.8173.1172.10000109.9E225 L231 T232 N233E225-V229 WeakPolarHBondContact O-CG2 3.39Å; E225-V229 PolarHBondContact O-N 2.87Å; V229-L231 PolarHBondContact O-N 3.1Å; V229-T232 WeakPolarHBondContact O-CA 3.49Å; V229-T232 WeakPolarHBondContact O-CB 2.96Å; V229-T232 PolarHBondContact O-N 3.28Å; V229-T232 VanDerWaalsContact O-N 3.12Å; V229-N233 VanDerWaalsContact O-CG 3.23Å; V229-N233 PolarHBondContact O-N 2.69Å; V229-N233 PolarHBondContact O-ND2 3.2Å
230E74Confident68.3Low8 Ų855.7 Ų55.74%0.03730%0.298CS..Hα-helixtrans-66.8-37.6-178.6-78.3-68.887.100113.5Q226 L227 T232 N233 L234 G462 Q464 I465Q226-E230 PolarHBondContact O-N 2.97Å; L227-E230 PolarHBondContact O-N 2.83Å; E230-T232 VanDerWaalsContact C-N 3.29Å; E230-T232 PolarHBondContact O-N 2.76Å; E230-N233 PolarHBondContact O-N 3.42Å; E230-N233 PolarHBondContact OE1-ND2 2.91Å; E230-L234 WeakPolarHBondContact O-CB 3.5Å; E230-L234 VanDerWaalsContact O-CG 3.3Å; E230-L234 WeakPolarHBondContact O-CG 3.44Å; E230-L234 PolarHBondContact O-N 2.76Å; E230-G462 PolarHBondContact OE2-N 3.36Å; E230-Q464 HydrophobicContact CG-CB 4.2Å; E230-I465 HydrophobicContact CB-CD1 4.35Å; E230-I465 HydrophobicContact CB-CG1 4.26Å
231L75.7Confident65.6Low1 Ų156.7 Ų56.71%0.00532%0.324CS..Hα-helixtrans-67.8-29.6172.9-71170.9000112.5L227 V229 A235 I465 E493 L494 C497L227-L231 WeakPolarHBondContact O-CB 3.4Å; L227-L231 WeakPolarHBondContact O-CG 3.45Å; L227-L231 PolarHBondContact O-N 3.45Å; V229-L231 PolarHBondContact O-N 3.1Å; L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.48Å; L231-A235 PolarHBondContact O-N 2.75Å; L231-A235 VanDerWaalsContact O-N 3.15Å; L231-I465 HydrophobicContact CD2-CD1 3.51Å; L231-I465 HydrophobicContact CG-CD1 3.87Å; L231-E493 HydrophobicContact CD1-CB 4.43Å; L231-L494 HydrophobicContact CD1-CD2 3.88Å; L231-L494 HydrophobicContact CD1-CG 4.5Å; L231-L494 HydrophobicContact CD2-CD2 3.53Å; L231-L494 HydrophobicContact CG-CD2 4.37Å; L231-C497 HydrophobicContact CD1-CB 4.26Å
232T73.3Confident63.2Low46 Ų4659.7 Ų59.728%0.28234%0.335SS..Hα-helixtrans-67.9-48.1169.8-76.50000111R228 V229 E230 L234 A235 S236 K499R228-T232 VanDerWaalsContact O-CB 3.23Å; R228-T232 WeakPolarHBondContact O-CB 3.29Å; R228-T232 PolarHBondContact O-N 3.12Å; R228-T232 PolarHBondContact O-OG1 2.69Å; V229-T232 WeakPolarHBondContact O-CA 3.49Å; V229-T232 WeakPolarHBondContact O-CB 2.96Å; V229-T232 PolarHBondContact O-N 3.28Å; V229-T232 VanDerWaalsContact O-N 3.12Å; E230-T232 VanDerWaalsContact C-N 3.29Å; E230-T232 PolarHBondContact O-N 2.76Å; T232-L234 PolarHBondContact O-N 2.79Å; T232-A235 PolarHBondContact O-N 2.8Å; T232-S236 PolarHBondContact O-N 3.32Å; T232-S236 PolarHBondContact O-OG 3.26Å; T232-K499 HydrophobicContact CG2-CD 4.36Å; T232-K499 PolarHBondContact OG1-NZ 2.88Å
233N68Low60.8Low33 Ų3365.4 Ų65.418%0.17636%0.364CS..Hα-helixtrans-59.2-45.8179-66.1-22.4000111.8V229 E230 A235 S236 N237 N461V229-N233 VanDerWaalsContact O-CG 3.23Å; V229-N233 PolarHBondContact O-N 2.69Å; V229-N233 PolarHBondContact O-ND2 3.2Å; E230-N233 PolarHBondContact O-N 3.42Å; E230-N233 PolarHBondContact OE1-ND2 2.91Å; N233-A235 VanDerWaalsContact C-N 3.33Å; N233-A235 PolarHBondContact O-N 3.23Å; N233-S236 PolarHBondContact O-OG 3.12Å; N233-N237 VanDerWaalsContact O-CB 3.28Å; N233-N237 WeakPolarHBondContact O-CB 3.43Å; N233-N237 PolarHBondContact O-N 2.59Å; N233-N237 PolarHBondContact O-ND2 3.41Å; N233-N461 HydrophobicContact CB-CB 4.18Å
234L67.3Low58.3Low36 Ų3673.9 Ų73.919%0.18840%0.403CS..Hα-helixtrans-66.6-32.9177.6-72.5167.5000112.7E230 T232 G238 I465 W567E230-L234 WeakPolarHBondContact O-CB 3.5Å; E230-L234 VanDerWaalsContact O-CG 3.3Å; E230-L234 WeakPolarHBondContact O-CG 3.44Å; E230-L234 PolarHBondContact O-N 2.76Å; T232-L234 PolarHBondContact O-N 2.79Å; L234-G238 PolarHBondContact O-N 3.12Å; L234-I465 HydrophobicContact CD1-CD1 3.58Å; L234-I465 HydrophobicContact CD1-CG1 4.3Å; L234-W567 HydrophobicContact CB-CH2 3.75Å; L234-W567 HydrophobicContact CB-CZ2 4.03Å; L234-W567 HydrophobicContact CB-CZ3 4.31Å; L234-W567 HydrophobicContact CD1-CZ3 4.31Å
235A64.2Low55.6Low10 Ų1078 Ų788%0.08343%0.428CS..Hα-helixtrans-76.6-37.4177.600000113.1L231 T232 N233 G238 K499L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.48Å; L231-A235 PolarHBondContact O-N 2.75Å; L231-A235 VanDerWaalsContact O-N 3.15Å; T232-A235 PolarHBondContact O-N 2.8Å; N233-A235 VanDerWaalsContact C-N 3.33Å; N233-A235 PolarHBondContact O-N 3.23Å; A235-G238 PolarHBondContact O-N 3.36Å; A235-K499 HydrophobicContact CB-CB 3.46Å; A235-K499 VanDerWaalsContact CB-CB 3.46Å
236S58.5Low53.1Low56 Ų5678.1 Ų78.139%0.39244%0.436SS..Hα-helixtrans-67-44.117353.10000111.6T232 N233 G238 L239T232-S236 PolarHBondContact O-N 3.32Å; T232-S236 PolarHBondContact O-OG 3.26Å; N233-S236 PolarHBondContact O-OG 3.12Å; S236-G238 PolarHBondContact O-N 2.98Å; S236-L239 PolarHBondContact O-N 2.8Å
237N52.5Low50.7Low108 Ų10883 Ų8358%0.57846%0.463SS*.Hα-helixtrans-72-13.9-179.3-63.9-9.9000112.9N233N233-N237 VanDerWaalsContact O-CB 3.28Å; N233-N237 WeakPolarHBondContact O-CB 3.43Å; N233-N237 PolarHBondContact O-N 2.59Å; N233-N237 PolarHBondContact O-ND2 3.41Å
238G43.8Very low48.1Very low43 Ų4389.3 Ų89.344%0.44350%0.497SS..THydrogen-bonded Turntrans-80.8-9.9176.600000115.6L234 A235 S236L234-G238 PolarHBondContact O-N 3.12Å; A235-G238 PolarHBondContact O-N 3.36Å; S236-G238 PolarHBondContact O-N 2.98Å
239L33.4Very low45.5Very low147 Ų14789.7 Ų89.777%0.7751%0.506SS*.SBendtrans-98.4-18.1-174.7-80.3162.7000114.5S236S236-L239 PolarHBondContact O-N 2.8Å
240Y27.8Very low43.1Very low189 Ų18996.8 Ų96.874%0.74153%0.525SS*.SBendtrans-107.4121.8173.2-73-83.5000110.2
241G24.9Very low40.8Very low78 Ų78102.2 Ų102.280%0.80455%0.553SS**  trans-85.3131.5-167.900000114.6
242T27.2Very low38.3Very low133 Ų133107.5 Ų107.582%0.81659%0.59SS**  trans-148.9126.6150.216.90000111.3H244T242-H244 VanDerWaalsContact C-N 3.28Å; T242-H244 PolarHBondContact O-N 3.29Å
243N26.1Very low36Very low129 Ų129110.9 Ų110.969%0.6962%0.616SS**  trans-80.959.5176.3-79.5-60.8000112.3
244H25.4Very low34Very low178 Ų178112.9 Ų112.982%0.82464%0.644SS**  trans-149.456.5177.4-85.1-55.4000115.8T242T242-H244 VanDerWaalsContact C-N 3.28Å; T242-H244 PolarHBondContact O-N 3.29Å
245N28.4Very low31.9Very low132 Ų132114 Ų11471%0.70667%0.665SS**  trans-158.128.1153.2-122.3-27.4000116.2N247N245-N247 VanDerWaalsContact C-N 3.33Å; N245-N247 PolarHBondContact O-N 3.5Å
246V26.2Very low30.1Very low102 Ų102121 Ų12162%0.61869%0.689SS**THydrogen-bonded Turntrans-8269.7-172-166.10000112.2
247N28.6Very low28.4Very low140 Ų140123.6 Ų123.675%0.74971%0.707SS**THydrogen-bonded Turntrans-154.7-18.2167.8-99.4-33.3000115.9N245 L249N245-N247 VanDerWaalsContact C-N 3.33Å; N245-N247 PolarHBondContact O-N 3.5Å; N247-L249 PolarHBondContact O-N 3.4Å
248N26.4Very low27.1Very low133 Ų133122.6 Ų122.671%0.71170%0.701SS**  trans-82.756.1-174.1-71.8-7.3000114
249L27.2Very low26.3Very low110 Ų110124.8 Ų124.858%0.57671%0.71SS**  trans-125.558.4164.6-72.8175.2000109.5N247 P466N247-L249 PolarHBondContact O-N 3.4Å; L249-P466 HydrophobicContact CD2-CB 3.98Å; L249-P466 HydrophobicContact CD2-CG 3.44Å; L249-P466 VanDerWaalsContact CD2-CG 3.44Å
250R27.2Very low26.4Very low220 Ų220121.9 Ų121.983%0.8370%0.7SS**  trans-95.5118.9171.7-80.6-173.6167.8-166.1-6.2110.3
251L25.1Very low26.2Very low122 Ų122120.8 Ų120.864%0.63971%0.706SS**  trans-59.1138.6154.5-72.8162000107.9A470L251-A470 HydrophobicContact CD2-CB 4.33Å
252S23.9Very low26.3Very low112 Ų112120.3 Ų120.378%0.78370%0.702SS**  trans-104.9118.9-175.8-63.20000110.6
253S24.7Very low26.2Very low117 Ų117119.8 Ų119.882%0.81870%0.698SS**  trans-141.5153.3167.252.80000108.4
254G25Very low26.3Very low75 Ų75118.6 Ų118.677%0.77370%0.7SS**  trans74102.3176.300000114.9
255G24.3Very low26.4Very low61 Ų61116.3 Ų116.363%0.62969%0.694SS**  trans-151122.6165.900000111
256R25.2Very low26.2Very low156 Ų156118.2 Ų118.259%0.58970%0.696SS**  trans-138.3145.3160.9-75.1-166.8178.4174.55.9109H1158R256-H1158 PolarHBondContact NH1-NE2 2.84Å; R256-H1158 PolarHBondContact NH2-NE2 2.96Å; R256-H1158 VanDerWaalsContact NH2-NE2 3.12Å
257C23.1Very low26.3Very low111 Ų111120.6 Ų120.675%0.7571%0.705SS**  trans-152.4134.3179.6520000108.8
258N26.3Very low26.2Very low86 Ų86118.7 Ų118.746%0.4670%0.703SS.*  trans-159.6122.5160.8-83.7-24.7000103.2Y429 Y430N258-Y429 PolarHBondContact ND2-OH 3.01Å; N258-Y430 PolarHBondContact ND2-OH 2.9Å
259S26.1Very low26.2Very low90 Ų90117.7 Ų117.763%0.62971%0.713SS**  cis75.614933.2-127.10000112.6
260P34.7Very low26.4Very low86 Ų86116 Ų11656%0.55872%0.722SS**  -139.2-179-89.339.1-21.4000114.4
261N25.1Very low26.4Very low165 Ų165114.2 Ų114.288%0.88272%0.724SS**  trans-175.8160.4147.7-89.7-32.1000107.2
262G25.8Very low26.5Very low69 Ų69115.6 Ų115.671%0.71173%0.727SS**  cis147.3157.88.300000107.5
263V25Very low26.7Very low122 Ų122115 Ų11574%0.73971%0.712SS**  cis-153164.5-1.8-179.30000108
264S28.5Very low26.8Very low104 Ų104113.3 Ų113.373%0.72769%0.691SS**  trans106.9138.5153.481.60000118.6
265N28.2Very low26.9Very low129 Ų129113.3 Ų113.369%0.6968%0.679SS**  cis-152.6158.6-17.4-112.2-4.4000113.1
266F23.6Very low27.1Very low173 Ų173116.1 Ų116.176%0.75968%0.68SS**  trans-25.6159.9159.1-63-93.2000117.2
267N28.8Very low27.2Very low151 Ų151114.5 Ų114.581%0.80769%0.687SS**  cis-163.4-176.543.3-136.1-21.4000116.5
268S25.9Very low27.3Very low101 Ų101114.6 Ų114.671%0.70668%0.684SS**  trans-115.7162.8-154.6-47.30000118.5
269A27.2Very low27.8Very low111 Ų111118.3 Ų118.392%0.91770%0.704SS**  trans75.9149.5139.100000124
270G29.8Very low27.8Very low75 Ų75121.4 Ų121.477%0.77370%0.702SS**  trans176.8156.7172.900000112.3
271Q29Very low27.3Very low183 Ų183122 Ų12286%0.85571%0.708SS**  trans-142.7131.3-165.7-82.7-173.2-7.700118
272Q26Very low27.4Very low150 Ų150118.9 Ų118.970%0.70170%0.699SS**  60.4149.9119.9-132.7-173.476.600124.8
273Q28.6Very low27.5Very low100 Ų100121.6 Ų121.647%0.46770%0.703SS.*  trans79.2155.4162.3-57176.919.600116.9T1624 S1625Q273-T1624 VanDerWaalsContact OE1-C 3.26Å; Q273-S1625 VanDerWaalsContact OE1-CA 3.26Å
274Q27.2Very low27.5Very low82 Ų82121 Ų12138%0.38370%0.704SS.*  cis-167.2173.8-20.4-106.3-162.5-128.100107.8S1625 N1626Q274-S1625 PolarHBondContact NE2-O 3.27Å; Q274-S1625 VanDerWaalsContact NE2-O 3.09Å; Q274-S1625 VanDerWaalsContact OE1-C 3.26Å; Q274-S1625 PolarHBondContact OE1-O 2.68Å; Q274-N1626 PolarHBondContact NE2-O 3.27Å
275S27.2Very low27.4Very low74 Ų74120.6 Ų120.652%0.51770%0.701SS.*  cis-176-177.1-21.355.40000112.2
276N26.9Very low27.4Very low121 Ų121118.7 Ų118.765%0.64770%0.698SS**  trans98.2129.5149.4-75.5-17.6000125.4
277T27.4Very low27.7Very low121 Ų121116.9 Ų116.974%0.74269%0.69SS**  trans67143.7143.453.80000121.8
278T26.4Very low27.6Very low114 Ų114116.8 Ų116.870%0.69969%0.686SS**  cis-168.5151.7-14.8160000111.6
279N35.4Very low27.7Very low164 Ų164118.3 Ų118.388%0.87768%0.682SS**  trans174.2169.9134.1-89.2-17.4000113.8
280R26.1Very low27.6Very low154 Ų154123.3 Ų123.358%0.58168%0.677SS**  trans-143.5160.8-163.2-50.7-177.3-169.71752.5117.5H1630 S1631R280-H1630 PolarHBondContact NH2-O 2.74Å; R280-H1630 VanDerWaalsContact NH2-O 3.09Å; R280-S1631 PolarHBondContact NH1-O 3.29Å; R280-S1631 PolarHBondContact NH2-O 2.99Å
281S25.9Very low27.5Very low99 Ų99123.8 Ų123.869%0.69267%0.669SS**  trans60.699.7135.661.70000125.6
282S26.4Very low27.5Very low99 Ų99121.7 Ų121.769%0.69266%0.664SS**  42.9123.3108.365.30000126.8
283T27.2Very low27.6Very low127 Ų127121.7 Ų121.778%0.77967%0.668SS**  65.4137.5127.958.90000125.6
284S26.4Very low27.6Very low109 Ų109121.1 Ų121.176%0.76268%0.675SS**  159.3156.4112.5-73.90000119.8
285S26.5Very low27.7Very low95 Ų95125.1 Ų125.166%0.66469%0.694SS**  trans88.5158.814379.30000124.1
286S28.2Very low27.7Very low90 Ų90129.6 Ų129.663%0.62970%0.699SS**  cis-175.8-157.3-4368.40000113.7
287F28.8Very low27.7Very low135 Ų135127.5 Ų127.559%0.59269%0.694SS**  trans78.1159.7179.4-67.4-102.7000117.3
288M27Very low27.5Very low148 Ų148132 Ų13273%0.72970%0.699SS**  cis-169.4-178-34.8-102.7-160.8-172.200107.7
289Q27.1Very low28Very low134 Ų134132.1 Ų132.163%0.62670%0.702SS**  cis-160.8168.85-144-178.793.700111.7
290R25.6Very low27.5Very low215 Ų215132.1 Ų132.181%0.81170%0.702SS**  trans69.2149.4155.2-72-173.8-174.5-154.1-4.5122.5
291S27.6Very low27.5Very low85 Ų85129.9 Ų129.959%0.59471%0.709SS**  cis-177.9146.8-29.751.50000114.4
292N29.6Very low27.5Very low140 Ų140130.4 Ų130.475%0.74971%0.713SS**  trans116.1125.2147.6-67.6-6.4000121.4
293N28.8Very low27.5Very low150 Ų150131.8 Ų131.880%0.80272%0.718SS**  trans52.9135.8151.3-56-3.1000120.8
294S28.7Very low27.5Very low87 Ų87130.7 Ų130.761%0.60872%0.715SS**  cis-174.7168.4-1644.60000106.7
295H28.5Very low27.5Very low166 Ų166133.9 Ų133.977%0.76972%0.723SS**  cis-130.6-179.29.6-62.8-100.5000108.4
296R27.1Very low27.6Very low169 Ų169132.5 Ų132.564%0.63872%0.723SS**  cis72.7135.127.3-84.2-154.6179.2-164.42.5116.3S386R296-S386 PolarHBondContact NH1-OG 3.38Å
297S27.2Very low27.6Very low77 Ų77135.4 Ų135.454%0.53873%0.73SS.*  cis-176.3140.6-12.733.80000118.2
298Y23.8Very low27.4Very low215 Ų215136 Ų13684%0.84374%0.739SS**  65.2155.7128.8-56.3-48.5000126.5
299P35.3Very low27.5Very low117 Ų117134.5 Ų134.576%0.7674%0.744SS**  trans-115.5165.4179.243.2-33.8000116.8
300N26.3Very low27.5Very low164 Ų164131.6 Ų131.688%0.87775%0.75SS**  trans-172.8174.8160.6-118.1-20.1000108.9
301S24.6Very low27.5Very low106 Ų106130.8 Ų130.874%0.74176%0.758SS**  cis-165.1178.6-8.540.20000108.5
302S26.3Very low27.4Very low111 Ų111130.3 Ų130.378%0.77677%0.766SS**  trans-146163.4175.464.50000117.4
303T26.4Very low27.2Very low127 Ų127128.2 Ų128.278%0.77976%0.762SS**  trans8188.8170.147.80000122.3
304S27.3Very low27Very low105 Ų105128.4 Ų128.473%0.73476%0.758SS**  69.5125.3116.765.70000124.6
305L27.7Very low26.7Very low176 Ų176130.2 Ų130.292%0.92176%0.761SS**  162.4143.1130-87.4163.5000109.1
306G27.6Very low26.5Very low65 Ų65128 Ų12867%0.6776%0.755SS**  cis169.6168.4-11.500000113.5
307I28.7Very low26.4Very low152 Ų152126.8 Ų126.878%0.77976%0.76SS**  trans83.289.8157.6-46.9178.2000120.4
308D25.3Very low26.3Very low146 Ų146129.7 Ų129.778%0.78177%0.769SS**  41.7135.7112.8-50.2-35000125.7
309S28.2Very low26.6Very low117 Ų117128.2 Ų128.282%0.81876%0.763SS**  trans-171.2130.5139.1-74.70000108.7
310G27.5Very low26.2Very low73 Ų73127.6 Ų127.675%0.75375%0.754SS**  cis-166.2169.4-800000113
311M24.5Very low26.3Very low199 Ų199126.2 Ų126.298%0.9875%0.747SS**  trans-18.4156.8154.4-49.3172.373.900117.2
312G26.2Very low26.4Very low75 Ų75125.7 Ų125.777%0.77374%0.743SS**  cis-178.6-164.73.900000108
313S24.9Very low26.6Very low95 Ų95125.7 Ų125.766%0.66474%0.738SS**  cis-166.6164.5-7.6-158.40000109.6
314Q24.2Very low26.6Very low154 Ų154127.8 Ų127.872%0.7274%0.739SS**  trans46.2115.9149.8-71.4157.7-69.300120.8
315N23.4Very low26.7Very low125 Ų125129.9 Ų129.967%0.66875%0.747SS**  115.6158.291.1-85.930000109.3
316D23.9Very low26.6Very low120 Ų120124.6 Ų124.664%0.64274%0.735SS**  cis-161.8170.8-3.1-111.8-22.3000109.8
317I26.4Very low26.5Very low144 Ų144130.4 Ų130.474%0.73875%0.75SS**  trans67.5134.7154.7-68.7155.2000118.5
318D25.1Very low26.3Very low137 Ų137128.8 Ų128.873%0.73374%0.743SS**  cis-160.1-128.4-32.6-94.1-32.6000105.7
319Y28.1Very low26.2Very low184 Ų184132.8 Ų132.872%0.72275%0.747SS**  cis-162.8113-6-167.9-96.4000112.3
320N27.3Very low26.1Very low104 Ų104134.4 Ų134.456%0.55675%0.746SS**  trans59.2159.6152.2-67.235.3000120.6
321D28Very low26Very low136 Ų136138 Ų13873%0.72775%0.747SS**  cis-155.5174.4-3.9-124-40.2000107.7
322S26.7Very low26Very low94 Ų94139.7 Ų139.766%0.65774%0.742SS**  cis-161173.7-3.755.90000106.5
323T30.9Very low25.9Very low111 Ų111146.4 Ų146.468%0.68175%0.746SS**  cis-113.9-157.9-6.150.20000108.3
324E27.3Very low26Very low172 Ų172153.6 Ų153.680%0.80476%0.758SS**  cis-159.81768.4-147.6151.9101.800111
325V29.9Very low26Very low148 Ų148157.5 Ų157.590%0.89777%0.767SS**  trans-106.1138.8-177.11780000111.2
326G25.7Very low26Very low65 Ų65159.1 Ų159.167%0.6777%0.774SS**  cis164.1161.9-2.800000112.6
327L24.9Very low26.1Very low188 Ų188159.7 Ų159.798%0.98478%0.782SS**  trans-136.686.9177.4-100.2171.2000109.9
328D23.4Very low26.2Very low117 Ų117159 Ų15963%0.62678%0.779SS**  trans-134.5135.7163.3-177.130.5000111.3L330D328-L330 PolarHBondContact OD1-N 3.42Å
329W24.2Very low26.2Very low231 Ų231158.6 Ų158.688%0.87578%0.777SS**  trans-152.39.4159.798.5-62.8000112.3L331W329-L331 VanDerWaalsContact C-N 3.29Å; W329-L331 PolarHBondContact O-N 3.32Å
330L25.3Very low26.2Very low151 Ų151157.2 Ų157.279%0.79178%0.777SS**  trans-89.913.1-170.7-100.3168.8000113.8D328D328-L330 PolarHBondContact OD1-N 3.42Å
331L25.3Very low26.3Very low148 Ų148159.1 Ų159.178%0.77579%0.788SS**  trans-120.652.3179.1-70.7176000113.8W329W329-L331 VanDerWaalsContact C-N 3.29Å; W329-L331 PolarHBondContact O-N 3.32Å
332R25.3Very low26.2Very low234 Ų234159.7 Ų159.788%0.88379%0.79SS**SBendtrans-133.719.2166.8-75.9-158.6180-149.51.1116.5
333Y24.7Very low26.4Very low217 Ų217160.4 Ų160.485%0.85179%0.786SS**SBendtrans-143.359.4173.9-112.7-73.5000114.7
334R25.4Very low26.2Very low246 Ų246163 Ų16393%0.92879%0.793SS**  trans-141.3143.8159.8-146.9169.1-170.9168.71.3111.9
335R24.1Very low26.2Very low236 Ų236158.3 Ų158.389%0.89179%0.791SS**  trans-58.7146.3173.1-58168.5173.3177.9-5.8110.3
336L24.7Very low26.1Very low159 Ų159155.4 Ų155.483%0.83279%0.792SS**  178.5118.5118-99.4163.8000113.2
337T26.2Very low26.3Very low131 Ų131155.6 Ų155.680%0.80479%0.793SS**  trans-151.1140.4138.243.20000107.1
338L27.9Very low26.5Very low130 Ų130155.1 Ų155.168%0.68179%0.79SS**  cis-160145-24.1-123.8169.1000107.4
339N25.8Very low26.7Very low129 Ų129157.9 Ų157.969%0.6980%0.799SS**  trans65.5155.5168.5-65.1-15.5000117.5
340Q27.9Very low26.9Very low154 Ų154151.9 Ų151.972%0.7279%0.792SS**  cis-151.1143.73-133.4159.88.600112.9
341N29.9Very low27Very low145 Ų145148.3 Ų148.378%0.77578%0.78SS**  trans61.7161.9152.7-63.2-4.8000123.4
342L25.9Very low27.1Very low147 Ų147149.1 Ų149.177%0.7778%0.783SS**  trans-104.9157.3-177.3-67.269.4000111.2L370L342-L370 WeakPolarHBondContact O-CD1 3.38Å
343L29.1Very low27.2Very low109 Ų109141 Ų14157%0.57177%0.773SS**  -177.1-178.5114.4-110.2146.3000113.4L370L343-L370 HydrophobicContact CB-CD1 3.94Å; L343-L370 HydrophobicContact CB-CD2 3.3Å; L343-L370 HydrophobicContact CB-CG 4.21Å; L343-L370 HydrophobicContact CD1-CB 4.38Å; L343-L370 HydrophobicContact CD1-CD1 3.92Å; L343-L370 HydrophobicContact CD1-CD2 4.09Å; L343-L370 HydrophobicContact CD1-CG 4.34Å; L343-L370 HydrophobicContact CG-CD2 4.26Å
344I27.2Very low27.7Very low165 Ų165135 Ų13585%0.84678%0.776SS**  trans-134.5144-173.9-63.9170.5000109.1
345G27.2Very low28.3Very low74 Ų74127.1 Ų127.176%0.76375%0.752SS**  trans154.5105.6153.500000119.3
346G29.2Very low28.5Very low88 Ų88121.3 Ų121.391%0.90774%0.739SS**  trans71.3158.4154.500000118.7
347G29.1Very low28.6Very low68 Ų68120.3 Ų120.370%0.70173%0.734SS**  cis162.8157.2-9.500000113
348I29.4Very low28.6Very low178 Ų178119.4 Ų119.491%0.91373%0.729SS**  trans77.5147.1171.9-52.2165.7000116
349H26.5Very low28.3Very low176 Ų176118.6 Ų118.682%0.81573%0.733SS**  cis-173.5116.8-43.9-169.3-113.2000110.6
350S28.1Very low28.2Very low104 Ų104118.4 Ų118.473%0.72774%0.737SS**  trans-165.9110.8165.953.10000116.7
351S28.9Very low27.9Very low77 Ų77117.9 Ų117.954%0.53874%0.739SS.*  trans33.1124.913858.70000123.5N355S351-N355 PolarHBondContact O-ND2 3.5Å
352I26.2Very low27.5Very low165 Ų165115.5 Ų115.585%0.84673%0.733SS**  43119.1118.9-52.1160.6000118.1N355I352-N355 PolarHBondContact O-ND2 3.01Å
353G28.2Very low27.3Very low64 Ų64118.6 Ų118.666%0.6674%0.737SS**SBendtrans160.4-13.4156.700000121.9N355G353-N355 VanDerWaalsContact CA-OD1 3.32Å; G353-N355 WeakPolarHBondContact CA-OD1 3.27Å
354G35.8Very low27.1Very low89 Ų89119 Ų11992%0.91874%0.744SS**SBendcis-129.578.1-1100000112.6
355N36.5Very low26.8Very low81 Ų81118.3 Ų118.343%0.43374%0.741SS.*  cis-153145-19.2-156.96000110.8S351 I352 G353S351-N355 PolarHBondContact O-ND2 3.5Å; I352-N355 PolarHBondContact O-ND2 3.01Å; G353-N355 VanDerWaalsContact CA-OD1 3.32Å; G353-N355 WeakPolarHBondContact CA-OD1 3.27Å
356N27.9Very low26.7Very low115 Ų115123.7 Ų123.762%0.61575%0.746SS**  trans42.6112.6160.4-69.1-25.1000120.9
357N27.2Very low26.5Very low137 Ų137122.5 Ų122.573%0.73373%0.734SS**  53.5145.2113.5-56.1-3.7000121.3
358T26.4Very low26.3Very low113 Ų113126.9 Ų126.969%0.69374%0.74SS**  cis-177.3140-23.331.40000106.6
359C21.3Very low26.1Very low113 Ų113124.4 Ų124.476%0.76473%0.729SS**  trans66.5146.1151.4-61.10000121.9
360T24Very low26.1Very low125 Ų125121.1 Ų121.177%0.76772%0.717SS**  trans69.7124.1156.748.80000122.1
361N22.8Very low26.1Very low142 Ų142119.9 Ų119.976%0.75971%0.713SS**  trans67.8105.3141.9-60.8-0.8000122.2
362S20.7Very low26Very low95 Ų95125.8 Ų125.866%0.66473%0.725SS**  68.3104.2115.1-55.70000122.7
363Y22.1Very low26.1Very low213 Ų213123.6 Ų123.684%0.83572%0.715SS**  trans75.5131.9140.6-67-67.1000123.9
364T23.4Very low26.2Very low118 Ų118126.1 Ų126.172%0.72471%0.713SS**  trans81.2116.214045.20000125.8
365L22.7Very low25.7Very low150 Ų150131.1 Ų131.179%0.78571%0.706SS**  72.3103.5127.7-70.4162.2000125.4
366H23.5Very low25.1Very low186 Ų186133.5 Ų133.586%0.86172%0.717SS**  61.8136.4126.4-88.4-103.9000125.7
367G26.2Very low25.3Very low64 Ų64133.3 Ų133.366%0.6672%0.722SS**  trans-159.4176.8174.100000114.6
368L25Very low25.1Very low159 Ų159134.2 Ų134.283%0.83273%0.726SS**  trans-154.5166-159.7-76.1178.5000119.3
369D25.4Very low24.9Very low127 Ų127133.5 Ų133.568%0.67973%0.726SS**  trans73.774.8142.3-60-19.4000127.9
370L26.2Very low25.3Very low106 Ų106136.3 Ų136.356%0.55573%0.731SS**  60146.5104.6-57.9-177.5000129.7L342 L343L342-L370 WeakPolarHBondContact O-CD1 3.38Å; L343-L370 HydrophobicContact CB-CD1 3.94Å; L343-L370 HydrophobicContact CB-CD2 3.3Å; L343-L370 HydrophobicContact CB-CG 4.21Å; L343-L370 HydrophobicContact CD1-CB 4.38Å; L343-L370 HydrophobicContact CD1-CD1 3.92Å; L343-L370 HydrophobicContact CD1-CD2 4.09Å; L343-L370 HydrophobicContact CD1-CG 4.34Å; L343-L370 HydrophobicContact CG-CD2 4.26Å
371A27.4Very low25.2Very low79 Ų79137.1 Ų137.165%0.65373%0.731SS**  trans101.9160.1155.700000119.6
372Y26.6Very low25.3Very low201 Ų201139 Ų13979%0.78874%0.735SS**  cis-165.3159.6-6.4-127-35.9000115
373N29.7Very low25.4Very low118 Ų118139 Ų13963%0.63174%0.735SS**  trans62.4113.2146.6-79.8-11.3000127.1
374N29.4Very low25.6Very low117 Ų117137.1 Ų137.163%0.62673%0.734SS**  146.1137.684.6-115-19.1000119.9
375Y25.8Very low25.6Very low194 Ų194136 Ų13676%0.76173%0.731SS**  trans68.1146.7171.4-62.9-79.2000120.5
376I23.6Very low25.5Very low131 Ų131132.3 Ų132.367%0.67272%0.717SS**  cis91.5119.45.4-54.1165.7000115.5
377P31.3Very low25.7Very low111 Ų111127.8 Ų127.872%0.72171%0.707SS**  -161.5176.271.244.5-22.3000122.2
378L24.4Very low25.8Very low156 Ų156131.5 Ų131.582%0.81772%0.717SS**  trans61.9107.6145.1-75.4168.5000127.9
379S21.5Very low25.8Very low99 Ų99127.5 Ų127.569%0.69271%0.707SS**  40.7134123.1-52.80000127.1
380I30.2Very low25.7Very low171 Ų171126.5 Ų126.588%0.87771%0.71SS**  175.2147.6117.4-92.1163000112.9
381D21.3Very low25.6Very low142 Ų142128.2 Ų128.276%0.75972%0.72SS**  trans-81.1146.2173.4-67.7-76.5000114.4
382H25.7Very low25.6Very low182 Ų182130.6 Ų130.684%0.84372%0.721SS**  -179.5145.1125-100.7-3000117.2
383S23Very low25.6Very low94 Ų94126.7 Ų126.766%0.65772%0.718SS**  trans61.4130.2139.471.10000124.4
384Q25.1Very low25.6Very low174 Ų174126.5 Ų126.581%0.81372%0.722SS**  71.195.1128.5-68.6178.92100122.1
385S22.8Very low25.7Very low95 Ų95126.6 Ų126.666%0.66473%0.727SS**  47.4110.4117.863.70000122.2
386S22.3Very low25.9Very low72 Ų72123.7 Ų123.750%0.50373%0.725SS.*  trans70.9109.1132.871.60000121.2R296R296-S386 PolarHBondContact NH1-OG 3.38Å
387S27.2Very low26.4Very low91 Ų91124 Ų12464%0.63673%0.727SS**  trans61.576.8131.667.80000118.8
388T28.7Very low26.2Very low142 Ų142124.9 Ų124.987%0.87173%0.726SS**  -89.8127.9126.345.60000106.9
389A23.4Very low26.6Very low76 Ų76123 Ų12363%0.62872%0.72SS**  cis72.1115.227.700000114.2
390S24.6Very low27Very low106 Ų106124.4 Ų124.474%0.74172%0.72SS**  trans75.1142.5151.480.90000118.3
391N24.2Very low27Very low142 Ų142122 Ų12276%0.75971%0.709SS**  cis-169.8179.3-16.5-114.5-4.8000111.2
392N27.1Very low27.5Very low128 Ų128121 Ų12168%0.68470%0.704SS**  trans101.4120.1139.9-76.1-18.5000119.6
393T26.8Very low27.7Very low119 Ų119119.8 Ų119.873%0.7370%0.698SS**  trans73.2139.9133.459.50000118.2
394T28.6Very low28.1Very low114 Ų114118.7 Ų118.770%0.69969%0.685SS**  cis-156.9165.310.9-11.50000112.8
395T31.7Very low28.5Very low120 Ų120115.6 Ų115.674%0.73667%0.674SS**  trans66.7144.7166.963.90000116.3
396N30.8Very low28.9Very low133 Ų133117.1 Ų117.171%0.71168%0.675SS**  cis-166.9153.6-7.3-109.92.5000107.2
397L33.1Very low29.4Very low137 Ų137119.7 Ų119.772%0.71768%0.683SS**  cis-127.2170.6-6.4-78.2176.6000107.4
398N28.8Very low29.6Very low130 Ų130120.7 Ų120.770%0.69568%0.681SS**  cis71134.638.4-74.42.3000114.3
399T31Very low29.8Very low115 Ų115121 Ų12171%0.70667%0.672SS**  cis-167.6158.30.210.40000108.2
400N29.8Very low30Very low130 Ų130121.2 Ų121.270%0.69566%0.663SS**  cis-163.5-177.5-9.6-155.3-4.6000109.7
401N31.6Very low30.2Very low121 Ų121119 Ų11965%0.64764%0.643SS**  trans71.9137.4156.2-61.8-15.6000118.2
402N31.1Very low30.4Very low120 Ų120116.1 Ų116.164%0.64263%0.627SS**  cis-160.2141.2-8.7-131.5-21.6000112.6
403H31.1Very low30.4Very low157 Ų157115.7 Ų115.773%0.72762%0.621SS**  trans61.6143.9158.9-73.836.1000119.1
404N31Very low30.5Very low70 Ų70112.5 Ų112.537%0.37460%0.602SS.*  cis-163.3126.8-23.9-121.8-20.4000110.2
405N32.4Very low30.4Very low109 Ų109112.8 Ų112.858%0.58360%0.599SS**  trans30.5133.3131.7-59.6-2.9000119.7
406N32.3Very low30.2Very low127 Ų127112.9 Ų112.968%0.67960%0.595SS**  cis-157.9150.913.3-93.8-15.1000108.5
407N32.2Very low29.9Very low126 Ų126113.2 Ų113.267%0.67460%0.597SS**  65.4136.659.5-65.253.6000112.6
408D31.2Very low29.5Very low112 Ų112116.1 Ų116.160%0.59960%0.598SS**  cis-162.1177.32.1-112.9-48.1000108.1
409H32.3Very low29.2Very low148 Ų148115.5 Ų115.569%0.68559%0.594SS**  cis-154.8131.66.2-13752000105.9
410N29.6Very low28.8Very low82 Ų82118 Ų11844%0.43959%0.592SS.*  75.8126.685.9-74.9-16.5000119.7
411N27.8Very low28.4Very low60 Ų60121 Ų12132%0.32160%0.595SS.*  58.9146.2112-41.6-21.1000119.8N1634 N1635N411-N1634 PolarHBondContact ND2-ND2 3.06Å; N411-N1634 WeakPolarHBondContact OD1-CB 3.34Å; N411-N1634 PolarHBondContact OD1-OD1 3.03Å; N411-N1635 VanDerWaalsContact CA-C 3.49Å; N411-N1635 VanDerWaalsContact CA-O 3.28Å; N411-N1635 WeakPolarHBondContact CA-O 3.3Å; N411-N1635 HydrophobicContact CB-CB 3.95Å; N411-N1635 PolarHBondContact N-O 2.95Å; N411-N1635 WeakPolarHBondContact OD1-CA 3.31Å; N411-N1635 WeakPolarHBondContact OD1-CB 3.44Å; N411-N1635 PolarHBondContact OD1-N 2.98Å; N411-N1635 PolarHBondContact OD1-O 3.38Å; N411-N1635 VanDerWaalsContact OD1-O 3.13Å
412N28.1Very low27.9Very low81 Ų81119.7 Ų119.743%0.43360%0.595SS.*  cis-163.5162.712.6-138.4-9.2000108.8N1635 S1636 N1637N412-N1635 WeakPolarHBondContact OD1-CB 3.48Å; N412-N1635 PolarHBondContact OD1-OD1 3.04Å; N412-S1636 CarbonylContact C-O 3.59Å; N412-S1636 WeakPolarHBondContact CA-O 3.14Å; N412-S1636 PolarHBondContact N-O 3.11Å; N412-S1636 PolarHBondContact OD1-OG 2.91Å; N412-N1637 CarbonylContact C-O 3.56Å
413H28.5Very low27.4Very low118 Ų118119 Ų11955%0.54660%0.6SS.*  cis-167116.329.6-156.5-64.1000114.8S1636 N1637H413-S1636 WeakPolarHBondContact CA-OG 3.43Å; H413-S1636 PolarHBondContact N-O 2.79Å; H413-N1637 PolarHBondContact N-O 2.96Å; H413-N1637 VanDerWaalsContact N-O 3.16Å
414T27Very low27Very low53 Ų53118.1 Ų118.133%0.32561%0.606SS.*  trans57.6162.6156.756.50000121.1S1636 N1637 N1638T414-S1636 PolarHBondContact N-OG 3.08Å; T414-S1636 VanDerWaalsContact N-OG 3.11Å; T414-N1637 PolarHBondContact O-ND2 2.88Å; T414-N1638 PolarHBondContact O-ND2 3.32Å
415N27.8Very low26.8Very low120 Ų120119.8 Ų119.864%0.64262%0.622SS**  cis-152.9158.5-8.7-116.5-11.6000111.9N1637N415-N1637 PolarHBondContact N-ND2 2.87Å
416N26.7Very low26.6Very low122 Ų122120.2 Ų120.265%0.65263%0.631SS**  trans18.1125.1150.6-66.1-26.9000121.4
417N25.8Very low26.1Very low140 Ų140122 Ų12275%0.74963%0.633SS**  77.1154.768-79.6-36.1000115.5
418R23.4Very low25.7Very low198 Ų198122.2 Ų122.275%0.74763%0.63SS**  cis175.7135.7-38.3-137.1-168170.1-167.2-1.2109.5
419L22.4Very low25.3Very low117 Ų117123.4 Ų123.461%0.61363%0.627SS**  trans67.6161.6159.6-41.1-174.8000116.9
420Y22.2Very low24.8Very low168 Ų168121.2 Ų121.266%0.65961%0.614SS**  cis-169.9151.2-24.9-110.7-33.6000111.9
421Y22.2Very low24.5Very low192 Ų192123.6 Ų123.675%0.75362%0.617SS**  trans60.5156.8150.4-68.1-51.7000120
422S20.9Very low24.4Very low93 Ų93127.1 Ų127.165%0.6563%0.627SS**  cis-169.2165.7-9.745.10000112.5
423S21Very low24.2Very low106 Ų106134.4 Ų134.474%0.74165%0.65SS**  trans66.7152.4158.649.80000118.2
424T21.7Very low24Very low139 Ų139138.1 Ų138.185%0.85366%0.66SS**  cis-152.1176.46.3-11.70000112.4
425S27.7Very low24.3Very low104 Ų104140.5 Ų140.573%0.72768%0.676SS**  trans-108.8164.6-174.556.70000115.9
426P27Very low24.1Very low119 Ų119141.9 Ų141.977%0.77368%0.683SS**  -137.3-172.5129.836.4-21.3000115.1
427F23.2Very low23.9Very low163 Ų163139.9 Ų139.972%0.71568%0.679SS**  trans-83.3-175.3-166.2-42-83000114.2
428H22.4Very low23.9Very low132 Ų132140.5 Ų140.561%0.61168%0.681SS**  cis-163.1-168.910.9-139.3-173.9000109.4
429Y22.6Very low23.8Very low136 Ų136137.3 Ų137.353%0.53368%0.678SS.*  cis-148-87-3.7-173.7-146.8000114.1N258N258-Y429 PolarHBondContact ND2-OH 3.01Å
430Y22.5Very low23.8Very low103 Ų103137.6 Ų137.640%0.40469%0.685SS.*  trans-134.6-178.2-159.8-101.6-138.1000112N258 Y432N258-Y430 PolarHBondContact ND2-OH 2.9Å; Y430-Y432 HydrophobicContact CD1-CE2 4.15Å; Y430-Y432 HydrophobicContact CE1-CE2 4.37Å
431Y23.6Very low23.8Very low131 Ų131136.9 Ų136.951%0.51469%0.688SS.*  cis179.3167.6-41.3-149.3-80.2000107.9
432Y25Very low23.8Very low134 Ų134136.4 Ų136.453%0.52569%0.69SS.*  trans101.6151158-66.9-67.3000122.5Y430Y430-Y432 HydrophobicContact CD1-CE2 4.15Å; Y430-Y432 HydrophobicContact CE1-CE2 4.37Å
433Y25.2Very low23.8Very low235 Ų235137.9 Ų137.992%0.92269%0.691SS**  trans-64.3147.4160.3-83.1-124.5000109.4
434W24.5Very low23.8Very low196 Ų196137.4 Ų137.474%0.74269%0.687SS**  trans-104.4168178.5-87.961.6000111
435P31.7Very low23.9Very low103 Ų103137.7 Ų137.767%0.66968%0.684SS**  cis-125.2-171.21444.1-28.1000113.4
436N24Very low23.5Very low148 Ų148139.5 Ų139.579%0.79168%0.684SS**  cis-149.8174.321.5-121.4-20.1000112.4
437S22.8Very low23.4Very low80 Ų80141.5 Ų141.556%0.55968%0.683SS**  trans-87.1163.8-166.3-43.80000117.8
438I25.4Very low23.4Very low154 Ų154140 Ų14079%0.7968%0.682SS**  -173.7113.1118.7-92.6159.1000112.5
439D21.9Very low23.4Very low130 Ų130138.2 Ų138.270%0.69568%0.683SS**  trans51.4146.7138.1-49.3-33.8000128.4
440T23.1Very low23.3Very low124 Ų124135.6 Ų135.676%0.76168%0.679SS**  trans70.2141.915651.30000121.4
441Q21.4Very low23.4Very low152 Ų152134.1 Ų134.171%0.7168%0.678SS**  cis-165.3-172.7-24.8-143.6169.3-13.400110.7
442F22.3Very low23.3Very low182 Ų182134 Ų13480%0.79868%0.682SS**  trans85.771.1170-70.2-76.2000121.5
443D20.3Very low23.2Very low125 Ų125132.4 Ų132.467%0.66868%0.682SS**  56.7126105.2-64.4-51000125.6
444S21Very low23Very low96 Ų96126.8 Ų126.867%0.67167%0.668SS**  113.614812071.80000121.8
445N23.4Very low22.9Very low145 Ų145124.2 Ų124.278%0.77566%0.664SS**  trans73.795.8170.2-52.1-43000116.2
446L21.3Very low22.5Very low141 Ų141126.8 Ų126.874%0.73867%0.672SS**  cis7996.626.5-164.784.5000116.2
447H24.7Very low22.4Very low162 Ų162123 Ų12375%0.7567%0.668SS**  trans179.9113.7134.7-9938.3000108.3
448N23Very low22.5Very low131 Ų131127.1 Ų127.170%0.70168%0.684SS**  73135.992.8-91.725.6000115.5
449C21.2Very low22.6Very low94 Ų94126.1 Ų126.164%0.63568%0.68SS**  cis-172.3177.8-26.4-127.10000110.9
450D22Very low23Very low82 Ų82122.8 Ų122.844%0.43968%0.676SS.*  trans83.7103143.2-66.2-26.2000126.2
451N22.8Very low23.6Very low71 Ų71119.7 Ų119.738%0.3866%0.655SS.*  85.1141.5112.6-53.5-16.8000122.8T76 C77T76-N451 VanDerWaalsContact CA-ND2 3.3Å; T76-N451 WeakPolarHBondContact CA-ND2 3.46Å; T76-N451 VanDerWaalsContact CA-OD1 3.23Å; T76-N451 WeakPolarHBondContact CA-OD1 3.42Å; T76-N451 WeakPolarHBondContact CB-OD1 3.22Å; T76-N451 HydrophobicContact CG2-CB 3.44Å; T76-N451 VanDerWaalsContact CG2-CB 3.44Å; T76-N451 WeakPolarHBondContact CG2-OD1 3.22Å; C77-N451 WeakPolarHBondContact CA-ND2 3.48Å; C77-N451 PolarHBondContact N-ND2 3.2Å; C77-N451 PolarHBondContact O-ND2 2.89Å
452Q22.6Very low24.8Very low129 Ų129114.1 Ų114.160%0.60364%0.638SS**  cis-161.216723-170.1158.8137.600119T76T76-Q452 HydrophobicContact CG2-CB 3.64Å; T76-Q452 HydrophobicContact CG2-CG 3.47Å; T76-Q452 VanDerWaalsContact CG2-CG 3.47Å; T76-Q452 WeakPolarHBondContact OG1-CG 3.13Å; T76-Q452 PolarHBondContact OG1-NE2 2.86Å
453L21.8Very low26.4Very low101 Ų101107.7 Ų107.753%0.52961%0.614SS.*  trans-34.2158.5166.2-54.2157000115.3A75A75-L453 HydrophobicContact CB-CD2 4.12Å; A75-L453 HydrophobicContact CB-CG 4.43Å
454N21.8Very low28.7Very low116 Ų116103.1 Ų103.162%0.6259%0.588SS**  cis-167.7167.925.5-146.2-16.2000114.6
455H23.5Very low31.4Very low143 Ų14398.8 Ų98.866%0.66256%0.558SS**  trans74.7127.7148.7-75-9.1000125.4
456N22.2Very low33.7Very low157 Ų15794.4 Ų94.484%0.8454%0.537SS*.  trans70.4129.9145.9-63.6-20.2000120.5
457G22.5Very low36.2Very low68 Ų6888.7 Ų88.770%0.70151%0.51SS*.  trans173.9-23.616400000122.4
458N23.9Very low38.8Very low167 Ų16781.1 Ų81.189%0.89348%0.475SS*.  trans175.4130.8162.9-98.7-45000112.8
459N28Very low41.8Very low132 Ų13275.4 Ų75.471%0.70644%0.444SS*.  trans-95.9150176.1-70.3-4.4000111.9N461N459-N461 WeakPolarHBondContact CB-OD1 3.23Å; N459-N461 PolarHBondContact O-N 2.9Å
460G29.9Very low44.6Very low60 Ų6072.4 Ų72.462%0.61943%0.426SS*.  trans-76.550.6178.400000115.2G462 T463G460-G462 PolarHBondContact O-N 2.83Å; G460-T463 PolarHBondContact O-N 3.27Å
461N36.2Very low47.5Very low60 Ų6068.8 Ų68.832%0.32141%0.407SS..THydrogen-bonded Turntrans-64.859.6-168.9-62.2-12.5000115N233 N459N233-N461 HydrophobicContact CB-CB 4.18Å; N459-N461 WeakPolarHBondContact CB-OD1 3.23Å; N459-N461 PolarHBondContact O-N 2.9Å
462G45.5Very low50.6Low34 Ų3465.4 Ų65.435%0.35139%0.389SS..THydrogen-bonded Turntrans-175.1-7.5178.900000115.3E230 G460E230-G462 PolarHBondContact OE2-N 3.36Å; G460-G462 PolarHBondContact O-N 2.83Å
463T56.3Low53.4Low47 Ų4762.3 Ų62.329%0.28837%0.371SS..SBendtrans-95.2-14.6176.669.60000113.5S33 T35 G460 P466 A467S33-T463 PolarHBondContact OG-OG1 2.76Å; T35-T463 HydrophobicContact CG2-CG2 4.07Å; T35-T463 PolarHBondContact OG1-OG1 3.42Å; G460-T463 PolarHBondContact O-N 3.27Å; T463-P466 WeakPolarHBondContact O-CD 3.35Å; T463-A467 PolarHBondContact O-N 2.77Å
464Q68.4Low56.3Low29 Ų2959.7 Ų59.714%0.13636%0.356CS..Hα-helixtrans-74.4-44.3-166.7-171.3157.629.700114Q226 E230 A467 M468Q226-Q464 VanDerWaalsContact OE1-NE2 3.08Å; E230-Q464 HydrophobicContact CG-CB 4.2Å; Q464-A467 CarbonylContact O-C 3.49Å; Q464-A467 WeakPolarHBondContact O-CA 3.48Å; Q464-A467 WeakPolarHBondContact O-CB 3.44Å; Q464-A467 PolarHBondContact O-N 3.21Å; Q464-M468 HydrophobicContact CG-CG 4.31Å; Q464-M468 HydrophobicContact CG-SD 4.28Å; Q464-M468 WeakPolarHBondContact O-CG 3.43Å; Q464-M468 PolarHBondContact O-N 2.9Å
465I77.7Confident59.3Low5 Ų554.2 Ų54.23%0.02633%0.327CS..Hα-helixtrans-60-43.1178.2-58.1-173.9000112.3L227 E230 L231 L234 A467 M468 F469 L571L227-I465 HydrophobicContact CD2-CG1 4.5Å; E230-I465 HydrophobicContact CB-CD1 4.35Å; E230-I465 HydrophobicContact CB-CG1 4.26Å; L231-I465 HydrophobicContact CD2-CD1 3.51Å; L231-I465 HydrophobicContact CG-CD1 3.87Å; L234-I465 HydrophobicContact CD1-CD1 3.58Å; L234-I465 HydrophobicContact CD1-CG1 4.3Å; I465-A467 VanDerWaalsContact C-N 3.31Å; I465-A467 PolarHBondContact O-N 3.48Å; I465-M468 PolarHBondContact O-N 3.11Å; I465-F469 HydrophobicContact CG2-CD2 4.1Å; I465-F469 HydrophobicContact CG2-CE2 3.68Å; I465-F469 HydrophobicContact CG2-CZ 4.41Å; I465-F469 WeakPolarHBondContact O-CD2 3.39Å; I465-F469 PolarHBondContact O-N 2.9Å; I465-L571 HydrophobicContact CG2-CD1 3.84Å
466P73.5Confident62.2Low53 Ų5347.6 Ų47.634%0.34430%0.297SS..Hα-helixtrans-55.2-40.3167.5-27.634.3000114.3L249 T463 F469 A470L249-P466 HydrophobicContact CD2-CB 3.98Å; L249-P466 HydrophobicContact CD2-CG 3.44Å; L249-P466 VanDerWaalsContact CD2-CG 3.44Å; T463-P466 WeakPolarHBondContact O-CD 3.35Å; P466-F469 PolarHBondContact O-N 3.26Å; P466-A470 PolarHBondContact O-N 2.91Å
467A72.5Confident65Low21 Ų2142.5 Ų42.517%0.17428%0.276CS..Hα-helixtrans-66.8-36.1175.500000112.3T463 Q464 I465 A470 K471T463-A467 PolarHBondContact O-N 2.77Å; Q464-A467 CarbonylContact O-C 3.49Å; Q464-A467 WeakPolarHBondContact O-CA 3.48Å; Q464-A467 WeakPolarHBondContact O-CB 3.44Å; Q464-A467 PolarHBondContact O-N 3.21Å; I465-A467 VanDerWaalsContact C-N 3.31Å; I465-A467 PolarHBondContact O-N 3.48Å; A467-A470 CarbonylContact O-C 3.5Å; A467-A470 WeakPolarHBondContact O-CB 3.27Å; A467-A470 PolarHBondContact O-N 3.47Å; A467-K471 WeakPolarHBondContact O-CB 3.44Å; A467-K471 PolarHBondContact O-N 2.89Å
468M80.6Confident67.6Low3 Ų343.8 Ų43.82%0.01526%0.262CS..Hα-helixtrans-67-38.3174.6-63.7177.488.300111.9V223 L227 Q464 I465 K471 V472 L486 I490V223-M468 HydrophobicContact CG1-CE 3.91Å; L227-M468 HydrophobicContact CD1-CE 4.23Å; L227-M468 HydrophobicContact CD2-CE 4Å; L227-M468 HydrophobicContact CD2-SD 3.72Å; L227-M468 HydrophobicContact CG-CE 3.86Å; L227-M468 HydrophobicContact CG-SD 4.15Å; Q464-M468 HydrophobicContact CG-CG 4.31Å; Q464-M468 HydrophobicContact CG-SD 4.28Å; Q464-M468 WeakPolarHBondContact O-CG 3.43Å; Q464-M468 PolarHBondContact O-N 2.9Å; I465-M468 PolarHBondContact O-N 3.11Å; M468-K471 CarbonylContact O-C 3.58Å; M468-K471 WeakPolarHBondContact O-CB 3.28Å; M468-K471 PolarHBondContact O-N 3.34Å; M468-K471 VanDerWaalsContact O-N 3.15Å; M468-V472 PolarHBondContact O-N 3.2Å; M468-L486 HydrophobicContact CE-CD1 4.27Å; M468-I490 HydrophobicContact CB-CD1 4.17Å
469F85.1Confident70.3Confident12 Ų1241.8 Ų41.85%0.05324%0.242CC..Hα-helixtrans-66.8-37.9170.3-71.8-53.5000112.8I465 P466 K471 V472 R473 L487 I490 L571 E574 V575 L578I465-F469 HydrophobicContact CG2-CD2 4.1Å; I465-F469 HydrophobicContact CG2-CE2 3.68Å; I465-F469 HydrophobicContact CG2-CZ 4.41Å; I465-F469 WeakPolarHBondContact O-CD2 3.39Å; I465-F469 PolarHBondContact O-N 2.9Å; P466-F469 PolarHBondContact O-N 3.26Å; F469-K471 PolarHBondContact O-N 3.31Å; F469-V472 PolarHBondContact O-N 3.23Å; F469-R473 WeakPolarHBondContact O-CG 3.16Å; F469-R473 PolarHBondContact O-N 3.02Å; F469-L487 HydrophobicContact CD1-CD1 4.4Å; F469-L487 HydrophobicContact CE1-CD1 4.14Å; F469-I490 HydrophobicContact CD1-CD1 4.27Å; F469-I490 HydrophobicContact CE1-CD1 4.27Å; F469-I490 HydrophobicContact CE1-CG2 3.74Å; F469-I490 HydrophobicContact CZ-CG2 3.8Å; F469-L571 HydrophobicContact CE2-CD1 3.84Å; F469-L571 HydrophobicContact CZ-CD1 4.32Å; F469-E574 HydrophobicContact CD2-CB 4.38Å; F469-E574 HydrophobicContact CE2-CB 4.32Å; F469-E574 HydrophobicContact CZ-CB 4.47Å; F469-V575 HydrophobicContact CE1-CG2 3.84Å; F469-V575 HydrophobicContact CZ-CG2 3.67Å; F469-L578 HydrophobicContact CB-CD1 4.18Å; F469-L578 HydrophobicContact CD1-CD1 3.39Å; F469-L578 HydrophobicContact CE1-CD1 4.09Å; F469-L578 HydrophobicContact CG-CD1 4.11Å
470A80.4Confident72.8Confident31 Ų3136.5 Ų36.526%0.25621%0.214SC..Hα-helixtrans-61.5-34.6170.300000111.3L251 P466 A467 R473 E474L251-A470 HydrophobicContact CD2-CB 4.33Å; P466-A470 PolarHBondContact O-N 2.91Å; A467-A470 CarbonylContact O-C 3.5Å; A467-A470 WeakPolarHBondContact O-CB 3.27Å; A467-A470 PolarHBondContact O-N 3.47Å; A470-R473 WeakPolarHBondContact O-CB 3.49Å; A470-R473 PolarHBondContact O-N 3.07Å; A470-E474 PolarHBondContact O-N 3.2Å
471K82.3Confident75.3Confident6 Ų636.4 Ų36.43%0.02620%0.204CC..Hα-helixtrans-71.5-38.4175.8-15864.9172.1-175.70113.4T27 S30 F31 A467 M468 F469 R473 E474 L475 L486T27-K471 WeakPolarHBondContact O-CE 3.23Å; T27-K471 PolarHBondContact O-NZ 3.32Å; S30-K471 PolarHBondContact O-NZ 3.5Å; S30-K471 PolarHBondContact OG-NZ 3.44Å; F31-K471 HydrophobicContact CD1-CG 4.17Å; F31-K471 HydrophobicContact CD2-CD 4.45Å; F31-K471 HydrophobicContact CD2-CG 4.14Å; F31-K471 HydrophobicContact CE1-CG 4.02Å; F31-K471 HydrophobicContact CE2-CG 3.98Å; F31-K471 HydrophobicContact CG-CG 4.24Å; F31-K471 HydrophobicContact CZ-CG 3.92Å; A467-K471 WeakPolarHBondContact O-CB 3.44Å; A467-K471 PolarHBondContact O-N 2.89Å; M468-K471 CarbonylContact O-C 3.58Å; M468-K471 WeakPolarHBondContact O-CB 3.28Å; M468-K471 PolarHBondContact O-N 3.34Å; M468-K471 VanDerWaalsContact O-N 3.15Å; F469-K471 PolarHBondContact O-N 3.31Å; K471-R473 VanDerWaalsContact C-N 3.28Å; K471-R473 PolarHBondContact O-N 2.87Å; K471-E474 HydrophobicContact CD-CB 4.39Å; K471-E474 IonicContact NZ-OE1 3.22Å; K471-E474 PolarHBondContact NZ-OE1 2.91Å; K471-E474 IonicContact NZ-OE2 2.98Å; K471-E474 PolarHBondContact O-N 3.48Å; K471-L475 WeakPolarHBondContact O-CB 3.37Å; K471-L475 WeakPolarHBondContact O-CG 3.19Å; K471-L475 PolarHBondContact O-N 3.21Å; K471-L486 HydrophobicContact CB-CD2 4.33Å; K471-L486 HydrophobicContact CG-CD2 4.47Å
472V87.6Confident77.6Confident0 Ų033.6 Ų33.60%019%0.189CC..Hα-helixtrans-55.7-46.1167.7171.40000110M468 F469 E474 L475 L476 L486 L487 I490 L578M468-V472 PolarHBondContact O-N 3.2Å; F469-V472 PolarHBondContact O-N 3.23Å; V472-E474 PolarHBondContact O-N 2.97Å; V472-L475 PolarHBondContact O-N 3.22Å; V472-L476 HydrophobicContact CG1-CD1 3.77Å; V472-L476 HydrophobicContact CG1-CG 4.25Å; V472-L476 WeakPolarHBondContact O-CB 3.28Å; V472-L476 VanDerWaalsContact O-CG 3.24Å; V472-L476 WeakPolarHBondContact O-CG 3.3Å; V472-L476 PolarHBondContact O-N 3.31Å; V472-L486 HydrophobicContact CG2-CB 4.12Å; V472-L486 HydrophobicContact CG2-CD2 3.67Å; V472-L486 HydrophobicContact CG2-CG 3.71Å; V472-L487 HydrophobicContact CG1-CB 4.12Å; V472-L487 HydrophobicContact CG1-CD1 4.36Å; V472-L487 HydrophobicContact CG1-CD2 4.49Å; V472-L487 HydrophobicContact CG2-CB 4.22Å; V472-L487 HydrophobicContact CG2-CD1 4.49Å; V472-I490 HydrophobicContact CG2-CD1 3.95Å; V472-L578 HydrophobicContact CG1-CD1 4.24Å; V472-L578 HydrophobicContact CG1-CD2 4.2Å
473R82.9Confident79.6Confident64 Ų6432 Ų3224%0.24217%0.172CC..Hα-helixtrans-63.7-39.1177-65.8175.8-173.8-74.30.9112.6F469 A470 K471 A477 E574 L578F469-R473 WeakPolarHBondContact O-CG 3.16Å; F469-R473 PolarHBondContact O-N 3.02Å; A470-R473 WeakPolarHBondContact O-CB 3.49Å; A470-R473 PolarHBondContact O-N 3.07Å; K471-R473 VanDerWaalsContact C-N 3.28Å; K471-R473 PolarHBondContact O-N 2.87Å; R473-A477 VanDerWaalsContact O-CB 3.32Å; R473-A477 WeakPolarHBondContact O-CB 3.39Å; R473-A477 PolarHBondContact O-N 2.89Å; R473-E574 IonicContact CZ-OE2 2.83Å; R473-E574 IonicContact NH2-OE2 3.18Å; R473-E574 PolarHBondContact NH2-OE2 2.85Å; R473-L578 HydrophobicContact CG-CD2 3.67Å
474E81.8Confident81Confident46 Ų4630.8 Ų30.822%0.21517%0.165CC..Hα-helixtrans-64.5-42176.4-159.4-178.7107.500111.9K34 A470 K471 V472 K478K34-E474 IonicContact NZ-OE2 3.01Å; K34-E474 PolarHBondContact NZ-OE2 3.27Å; A470-E474 PolarHBondContact O-N 3.2Å; K471-E474 HydrophobicContact CD-CB 4.39Å; K471-E474 IonicContact NZ-OE1 3.22Å; K471-E474 PolarHBondContact NZ-OE1 2.91Å; K471-E474 IonicContact NZ-OE2 2.98Å; K471-E474 PolarHBondContact O-N 3.48Å; V472-E474 PolarHBondContact O-N 2.97Å; E474-K478 PolarHBondContact O-N 3.46Å
475L84.3Confident81.9Confident0 Ų033.7 Ų33.70%018%0.175CC..Hα-helixtrans-70.5-40.6176.5-69.6172.2000112.5T27 Y28 F31 K471 V472 K478 R479 D480 N482 L486T27-L475 HydrophobicContact CG2-CD2 3.87Å; Y28-L475 HydrophobicContact CE1-CD2 4.44Å; Y28-L475 HydrophobicContact CE2-CD2 4.38Å; Y28-L475 WeakPolarHBondContact OH-CD2 3.27Å; F31-L475 HydrophobicContact CZ-CD1 4.14Å; K471-L475 WeakPolarHBondContact O-CB 3.37Å; K471-L475 WeakPolarHBondContact O-CG 3.19Å; K471-L475 PolarHBondContact O-N 3.21Å; V472-L475 PolarHBondContact O-N 3.22Å; L475-K478 CarbonylContact O-C 2.84Å; L475-K478 PolarHBondContact O-N 3.47Å; L475-R479 PolarHBondContact O-N 2.89Å; L475-R479 VanDerWaalsContact O-N 3.07Å; L475-D480 HydrophobicContact CB-CB 4.29Å; L475-D480 HydrophobicContact CD2-CB 4.1Å; L475-D480 PolarHBondContact O-N 3.12Å; L475-N482 HydrophobicContact CD1-CB 4.24Å; L475-L486 HydrophobicContact CD1-CD2 4.04Å
476L84.5Confident82.4Confident5 Ų533.5 Ų33.53%0.02617%0.174CC..Hα-helixtrans-64.5-39.5173.9-69.6172.8000111.9V472 K478 R479 P484 L578 V582 S778 N779V472-L476 HydrophobicContact CG1-CD1 3.77Å; V472-L476 HydrophobicContact CG1-CG 4.25Å; V472-L476 WeakPolarHBondContact O-CB 3.28Å; V472-L476 VanDerWaalsContact O-CG 3.24Å; V472-L476 WeakPolarHBondContact O-CG 3.3Å; V472-L476 PolarHBondContact O-N 3.31Å; L476-K478 PolarHBondContact O-N 2.94Å; L476-R479 WeakPolarHBondContact O-CA 3.39Å; L476-R479 PolarHBondContact O-N 3.19Å; L476-P484 HydrophobicContact CD2-CG 3.98Å; L476-L578 HydrophobicContact CD1-CD2 4.39Å; L476-V582 HydrophobicContact CD1-CG2 4.01Å; L476-V582 HydrophobicContact CD2-CG2 3.85Å; L476-S778 CarbonylContact C-O 3.44Å; L476-S778 VanDerWaalsContact CB-O 3.31Å; L476-S778 WeakPolarHBondContact CB-O 3.42Å; L476-N779 WeakPolarHBondContact O-CA 3.48Å
477A80.6Confident83.2Confident49 Ų4931 Ų3141%0.40516%0.157SC..Hα-helixtrans-64.9-27.317500000112.7R473 R479 S778R473-A477 VanDerWaalsContact O-CB 3.32Å; R473-A477 WeakPolarHBondContact O-CB 3.39Å; R473-A477 PolarHBondContact O-N 2.89Å; A477-R479 VanDerWaalsContact C-N 3.34Å; A477-S778 WeakPolarHBondContact CA-O 3.19Å; A477-S778 PolarHBondContact N-O 3.3Å; A477-S778 VanDerWaalsContact N-O 3.08Å
478K78.7Confident84.1Confident96 Ų9630.3 Ų30.342%0.41715%0.152SC..THydrogen-bonded Turntrans-861.5168.8-75.1-166.1164.5-161.10114.3S23 D24 T27 E474 L475 L476 D480S23-K478 PolarHBondContact O-NZ 2.68Å; D24-K478 IonicContact OD1-NZ 3.76Å; D24-K478 PolarHBondContact OD1-NZ 2.84Å; T27-K478 HydrophobicContact CG2-CD 4.27Å; T27-K478 PolarHBondContact OG1-NZ 3.48Å; E474-K478 PolarHBondContact O-N 3.46Å; L475-K478 CarbonylContact O-C 2.84Å; L475-K478 PolarHBondContact O-N 3.47Å; L476-K478 PolarHBondContact O-N 2.94Å; K478-D480 PolarHBondContact O-N 3Å
479R79.5Confident84.4Confident125 Ų12530.3 Ų30.347%0.47215%0.152SC..THydrogen-bonded Turntrans53.132.7-174.6-50.1-170.4-164.116511.9114.2L475 L476 A477 D587 N779 Y781L475-R479 PolarHBondContact O-N 2.89Å; L475-R479 VanDerWaalsContact O-N 3.07Å; L476-R479 WeakPolarHBondContact O-CA 3.39Å; L476-R479 PolarHBondContact O-N 3.19Å; A477-R479 VanDerWaalsContact C-N 3.34Å; R479-D587 WeakPolarHBondContact CD-OD1 3.33Å; R479-D587 IonicContact CZ-OD1 3.98Å; R479-D587 IonicContact NE-OD1 3.78Å; R479-D587 IonicContact NE-OD2 3.89Å; R479-D587 IonicContact NH1-OD1 2.79Å; R479-D587 PolarHBondContact NH1-OD1 3.46Å; R479-D587 IonicContact NH1-OD2 3.37Å; R479-N779 PolarHBondContact NE-O 2.95Å; R479-Y781 VanDerWaalsContact CZ-OH 3.23Å; R479-Y781 PolarHBondContact NH1-OH 3.33Å; R479-Y781 VanDerWaalsContact NH2-CE2 3.34Å; R479-Y781 PolarHBondContact NH2-OH 3.23Å
480D81.2Confident84.6Confident20 Ų2029.8 Ų29.811%0.10715%0.149CC..  trans-79.9131.9-179.7-162-45.6000110.9Y28 L475 K478 N482 G483 P484Y28-D480 PolarHBondContact OH-OD1 3.1Å; Y28-D480 PolarHBondContact OH-OD2 3.14Å; L475-D480 HydrophobicContact CB-CB 4.29Å; L475-D480 HydrophobicContact CD2-CB 4.1Å; L475-D480 PolarHBondContact O-N 3.12Å; K478-D480 PolarHBondContact O-N 3Å; D480-N482 PolarHBondContact O-N 3.45Å; D480-N482 VanDerWaalsContact O-N 3.11Å; D480-N482 WeakPolarHBondContact OD1-CB 3.38Å; D480-N482 PolarHBondContact OD1-N 3.27Å; D480-G483 PolarHBondContact O-N 2.97Å; D480-P484 WeakPolarHBondContact O-CD 3.4Å
481S81.4Confident85Confident59 Ų5928.3 Ų28.341%0.41314%0.137SC..THydrogen-bonded Turntrans-59.4-20.1175.851.10000113.2G483 P484 R485S481-G483 VanDerWaalsContact C-N 3.31Å; S481-G483 PolarHBondContact O-N 3.25Å; S481-P484 WeakPolarHBondContact O-CD 3.39Å; S481-R485 PolarHBondContact O-N 2.97Å
482N85Confident85.3Confident0 Ų029.5 Ų29.50%014%0.143CC..Hα-helixtrans-72.7-16.7171.6-76.3-32.8000114.5Y28 W216 L218 L475 D480 R485 L486Y28-N482 HydrophobicContact CE1-CB 4.44Å; Y28-N482 WeakPolarHBondContact OH-CB 3.36Å; Y28-N482 PolarHBondContact OH-ND2 2.91Å; W216-N482 WeakPolarHBondContact CB-ND2 3.34Å; W216-N482 PolarHBondContact O-ND2 2.99Å; L218-N482 HydrophobicContact CD2-CB 4.35Å; L475-N482 HydrophobicContact CD1-CB 4.24Å; D480-N482 PolarHBondContact O-N 3.45Å; D480-N482 VanDerWaalsContact O-N 3.11Å; D480-N482 WeakPolarHBondContact OD1-CB 3.38Å; D480-N482 PolarHBondContact OD1-N 3.27Å; N482-R485 PolarHBondContact O-N 2.84Å; N482-R485 VanDerWaalsContact OD1-CD 3.23Å; N482-R485 WeakPolarHBondContact OD1-CD 3.24Å; N482-L486 WeakPolarHBondContact O-CB 3.35Å; N482-L486 PolarHBondContact O-N 3.45Å
483G86.6Confident85.3Confident0 Ų029.9 Ų29.90%015%0.145CC..Hα-helixtrans-61-58.3173.100000112D480 S481 R485 L487D480-G483 PolarHBondContact O-N 2.97Å; S481-G483 VanDerWaalsContact C-N 3.31Å; S481-G483 PolarHBondContact O-N 3.25Å; G483-R485 VanDerWaalsContact C-N 3.33Å; G483-R485 PolarHBondContact O-N 2.84Å; G483-L487 PolarHBondContact O-N 2.76Å; G483-L487 VanDerWaalsContact O-N 3.1Å
484P87.1Confident85.4Confident22 Ų2227 Ų2714%0.14313%0.134CC..Hα-helixtrans-60.1-37.8171.7-24.634.6000113.4L476 D480 S481 L487 S488 W579 V582 W596L476-P484 HydrophobicContact CD2-CG 3.98Å; D480-P484 WeakPolarHBondContact O-CD 3.4Å; S481-P484 WeakPolarHBondContact O-CD 3.39Å; P484-L487 PolarHBondContact O-N 2.93Å; P484-S488 PolarHBondContact O-N 2.77Å; P484-W579 WeakPolarHBondContact O-CH2 3.12Å; P484-V582 HydrophobicContact CB-CG1 3.99Å; P484-V582 HydrophobicContact CB-CG2 4.33Å; P484-V582 HydrophobicContact CG-CG1 3.92Å; P484-V582 HydrophobicContact CG-CG2 4.14Å; P484-W596 HydrophobicContact CB-CH2 4.07Å; P484-W596 HydrophobicContact CB-CZ2 3.63Å
485R87.1Confident85.5Confident91 Ų9125.3 Ų25.334%0.34313%0.127SC..Hα-helixtrans-61-53.6178-164.3-177.5-177.5174.91.8111.5L218 E220 S481 N482 G483 L487 S488 L489L218-R485 HydrophobicContact CD2-CB 4.49Å; L218-R485 HydrophobicContact CD2-CG 4.39Å; E220-R485 IonicContact OE1-CZ 3.9Å; E220-R485 IonicContact OE1-NE 2.69Å; E220-R485 PolarHBondContact OE1-NE 2.96Å; E220-R485 IonicContact OE1-NH2 2.68Å; E220-R485 PolarHBondContact OE1-NH2 2.98Å; S481-R485 PolarHBondContact O-N 2.97Å; N482-R485 PolarHBondContact O-N 2.84Å; N482-R485 VanDerWaalsContact OD1-CD 3.23Å; N482-R485 WeakPolarHBondContact OD1-CD 3.24Å; G483-R485 VanDerWaalsContact C-N 3.33Å; G483-R485 PolarHBondContact O-N 2.84Å; R485-L487 VanDerWaalsContact C-N 3.27Å; R485-L487 PolarHBondContact O-N 2.74Å; R485-S488 WeakPolarHBondContact O-CA 3.32Å; R485-S488 WeakPolarHBondContact O-CB 3.4Å; R485-S488 PolarHBondContact O-N 2.82Å; R485-L489 WeakPolarHBondContact O-CG 3.19Å; R485-L489 PolarHBondContact O-N 3.02Å
486L88Confident85.3Confident0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-57.4-40.1176.4177.860.5000111.7F31 L218 V223 M468 K471 V472 L475 N482 S488 L489 I490F31-L486 HydrophobicContact CE1-CD1 4.06Å; F31-L486 HydrophobicContact CE1-CD2 3.63Å; F31-L486 HydrophobicContact CE1-CG 4.49Å; F31-L486 HydrophobicContact CZ-CD2 3.95Å; L218-L486 HydrophobicContact CD2-CB 4.06Å; V223-L486 HydrophobicContact CG1-CD1 3.75Å; V223-L486 HydrophobicContact CG2-CD1 4.3Å; M468-L486 HydrophobicContact CE-CD1 4.27Å; K471-L486 HydrophobicContact CB-CD2 4.33Å; K471-L486 HydrophobicContact CG-CD2 4.47Å; V472-L486 HydrophobicContact CG2-CB 4.12Å; V472-L486 HydrophobicContact CG2-CD2 3.67Å; V472-L486 HydrophobicContact CG2-CG 3.71Å; L475-L486 HydrophobicContact CD1-CD2 4.04Å; N482-L486 WeakPolarHBondContact O-CB 3.35Å; N482-L486 PolarHBondContact O-N 3.45Å; L486-S488 VanDerWaalsContact C-N 3.31Å; L486-S488 PolarHBondContact O-N 3.43Å; L486-L489 PolarHBondContact O-N 3.45Å; L486-I490 HydrophobicContact CD1-CD1 4.39Å; L486-I490 HydrophobicContact CG-CD1 4.13Å; L486-I490 VanDerWaalsContact O-CG1 3.3Å; L486-I490 WeakPolarHBondContact O-CG1 3.5Å; L486-I490 PolarHBondContact O-N 2.96Å
487L90.7Very high84.9Confident0 Ų030.9 Ų30.90%016%0.158CC..Hα-helixtrans-65.4-33.9174.6-170.465000112.4F469 V472 G483 P484 R485 T491 L578 W579 V582F469-L487 HydrophobicContact CD1-CD1 4.4Å; F469-L487 HydrophobicContact CE1-CD1 4.14Å; V472-L487 HydrophobicContact CG1-CB 4.12Å; V472-L487 HydrophobicContact CG1-CD1 4.36Å; V472-L487 HydrophobicContact CG1-CD2 4.49Å; V472-L487 HydrophobicContact CG2-CB 4.22Å; V472-L487 HydrophobicContact CG2-CD1 4.49Å; G483-L487 PolarHBondContact O-N 2.76Å; G483-L487 VanDerWaalsContact O-N 3.1Å; P484-L487 PolarHBondContact O-N 2.93Å; R485-L487 VanDerWaalsContact C-N 3.27Å; R485-L487 PolarHBondContact O-N 2.74Å; L487-T491 VanDerWaalsContact O-CB 3.28Å; L487-T491 WeakPolarHBondContact O-CB 3.42Å; L487-T491 PolarHBondContact O-N 3.15Å; L487-T491 PolarHBondContact O-OG1 3.1Å; L487-L578 HydrophobicContact CD1-CB 3.87Å; L487-L578 HydrophobicContact CD1-CD1 3.96Å; L487-L578 HydrophobicContact CD2-CB 3.64Å; L487-L578 HydrophobicContact CG-CB 4.43Å; L487-W579 HydrophobicContact CB-CH2 4.16Å; L487-W579 HydrophobicContact CB-CZ2 3.98Å; L487-W579 HydrophobicContact CD2-CD2 3.46Å; L487-W579 VanDerWaalsContact CD2-CD2 3.46Å; L487-W579 HydrophobicContact CD2-CE3 3.76Å; L487-W579 HydrophobicContact CD2-CG 3.87Å; L487-W579 HydrophobicContact CD2-CH2 4.2Å; L487-W579 HydrophobicContact CD2-CZ2 3.94Å; L487-W579 HydrophobicContact CD2-CZ3 4.12Å; L487-W579 HydrophobicContact CG-CD2 4.02Å; L487-W579 HydrophobicContact CG-CH2 4.17Å; L487-W579 HydrophobicContact CG-CZ2 3.63Å; L487-V582 HydrophobicContact CD2-CG2 4Å
488S90.1Very high84Confident8 Ų832.6 Ų32.66%0.05617%0.167CC..Hα-helixtrans-63.3-46.5170.6-154.30000111.6P484 R485 L486 I490 T491 E492 R599 W603P484-S488 PolarHBondContact O-N 2.77Å; R485-S488 WeakPolarHBondContact O-CA 3.32Å; R485-S488 WeakPolarHBondContact O-CB 3.4Å; R485-S488 PolarHBondContact O-N 2.82Å; L486-S488 VanDerWaalsContact C-N 3.31Å; L486-S488 PolarHBondContact O-N 3.43Å; S488-I490 PolarHBondContact O-N 2.87Å; S488-T491 PolarHBondContact O-N 3.17Å; S488-T491 VanDerWaalsContact O-N 3.17Å; S488-E492 WeakPolarHBondContact O-CB 3.3Å; S488-E492 VanDerWaalsContact O-CG 3.24Å; S488-E492 WeakPolarHBondContact O-CG 3.42Å; S488-E492 PolarHBondContact O-N 2.97Å; S488-E492 PolarHBondContact OG-OE1 3.36Å; S488-R599 PolarHBondContact OG-NH1 3.41Å; S488-W603 WeakPolarHBondContact OG-CH2 3.4Å; S488-W603 WeakPolarHBondContact OG-CZ2 3.43Å
489L88.7Confident83.1Confident2 Ų233.6 Ų33.61%0.0117%0.171CC..Hα-helixtrans-58.1-48.9176.2-54.8177.6000111.3L218 E220 V223 R224 L227 R485 L486 T491 E492 E493L218-L489 HydrophobicContact CD2-CD1 3.94Å; E220-L489 HydrophobicContact CB-CD1 4.09Å; E220-L489 HydrophobicContact CB-CD2 4.09Å; E220-L489 HydrophobicContact CG-CD1 3.97Å; E220-L489 HydrophobicContact CG-CD2 4.02Å; E220-L489 VanDerWaalsContact OE2-CD2 3.31Å; E220-L489 WeakPolarHBondContact OE2-CD2 3.38Å; V223-L489 HydrophobicContact CB-CD1 3.9Å; V223-L489 HydrophobicContact CG1-CB 3.95Å; V223-L489 HydrophobicContact CG1-CD1 3.53Å; V223-L489 HydrophobicContact CG1-CG 4.38Å; V223-L489 HydrophobicContact CG2-CD1 4.35Å; R224-L489 HydrophobicContact CG-CD2 4.29Å; R224-L489 VanDerWaalsContact CZ-CD2 3.46Å; L227-L489 HydrophobicContact CD1-CB 4.5Å; R485-L489 WeakPolarHBondContact O-CG 3.19Å; R485-L489 PolarHBondContact O-N 3.02Å; L486-L489 PolarHBondContact O-N 3.45Å; L489-T491 VanDerWaalsContact C-N 3.33Å; L489-T491 PolarHBondContact O-N 3.18Å; L489-E492 PolarHBondContact O-N 3.4Å; L489-E493 WeakPolarHBondContact O-CG 3.43Å; L489-E493 PolarHBondContact O-N 2.83Å
490I87.7Confident82.3Confident1 Ų128.3 Ų28.31%0.00515%0.152CC..Hα-helixtrans-57.9-47.2175.7-64.9163.4000110.3L227 M468 F469 V472 L486 S488 L494L227-I490 HydrophobicContact CD1-CB 4.5Å; L227-I490 HydrophobicContact CD1-CG1 3.96Å; L227-I490 HydrophobicContact CD2-CG1 4.12Å; M468-I490 HydrophobicContact CB-CD1 4.17Å; F469-I490 HydrophobicContact CD1-CD1 4.27Å; F469-I490 HydrophobicContact CE1-CD1 4.27Å; F469-I490 HydrophobicContact CE1-CG2 3.74Å; F469-I490 HydrophobicContact CZ-CG2 3.8Å; V472-I490 HydrophobicContact CG2-CD1 3.95Å; L486-I490 HydrophobicContact CD1-CD1 4.39Å; L486-I490 HydrophobicContact CG-CD1 4.13Å; L486-I490 VanDerWaalsContact O-CG1 3.3Å; L486-I490 WeakPolarHBondContact O-CG1 3.5Å; L486-I490 PolarHBondContact O-N 2.96Å; S488-I490 PolarHBondContact O-N 2.87Å; I490-L494 HydrophobicContact CG2-CD1 3.78Å; I490-L494 HydrophobicContact CG2-CG 4.31Å; I490-L494 VanDerWaalsContact O-CB 3.31Å; I490-L494 WeakPolarHBondContact O-CB 3.32Å; I490-L494 WeakPolarHBondContact O-CG 3.31Å; I490-L494 PolarHBondContact O-N 2.91Å
491T89.7Confident81Confident0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-67.2-40.8-176.4-57.10000112.5L487 S488 L489 L495 V575 W579 W603 F662L487-T491 VanDerWaalsContact O-CB 3.28Å; L487-T491 WeakPolarHBondContact O-CB 3.42Å; L487-T491 PolarHBondContact O-N 3.15Å; L487-T491 PolarHBondContact O-OG1 3.1Å; S488-T491 PolarHBondContact O-N 3.17Å; S488-T491 VanDerWaalsContact O-N 3.17Å; L489-T491 VanDerWaalsContact C-N 3.33Å; L489-T491 PolarHBondContact O-N 3.18Å; T491-L495 HydrophobicContact CG2-CD1 4.37Å; T491-L495 WeakPolarHBondContact O-CG 3.24Å; T491-L495 PolarHBondContact O-N 2.93Å; T491-L495 VanDerWaalsContact O-N 3.09Å; T491-V575 HydrophobicContact CG2-CG1 4.36Å; T491-W579 PolarHBondContact OG1-NE1 3.46Å; T491-W603 HydrophobicContact CG2-CD2 4.01Å; T491-W603 HydrophobicContact CG2-CE3 3.73Å; T491-W603 HydrophobicContact CG2-CH2 4.2Å; T491-W603 HydrophobicContact CG2-CZ2 4.41Å; T491-W603 HydrophobicContact CG2-CZ3 3.86Å; T491-F662 HydrophobicContact CG2-CE1 3.75Å; T491-F662 HydrophobicContact CG2-CZ 3.55Å
492E88.8Confident79.4Confident32 Ų3229.7 Ų29.715%0.1516%0.16CC..Hα-helixtrans-66.5-47.7177.5-71.8164.9-154.500111.4R224 S488 L489 L494 L495 N496 R599 W603R224-E492 IonicContact CZ-OE2 2.87Å; R224-E492 VanDerWaalsContact CZ-OE2 3.3Å; R224-E492 IonicContact NH1-OE2 2.69Å; R224-E492 PolarHBondContact NH1-OE2 3.27Å; R224-E492 IonicContact NH2-OE2 2.67Å; R224-E492 PolarHBondContact NH2-OE2 3.47Å; S488-E492 WeakPolarHBondContact O-CB 3.3Å; S488-E492 VanDerWaalsContact O-CG 3.24Å; S488-E492 WeakPolarHBondContact O-CG 3.42Å; S488-E492 PolarHBondContact O-N 2.97Å; S488-E492 PolarHBondContact OG-OE1 3.36Å; L489-E492 PolarHBondContact O-N 3.4Å; E492-L494 VanDerWaalsContact C-N 3.32Å; E492-L494 PolarHBondContact O-N 2.97Å; E492-L495 PolarHBondContact O-N 3.41Å; E492-L495 VanDerWaalsContact O-N 3.15Å; E492-N496 WeakPolarHBondContact O-CB 3.47Å; E492-N496 PolarHBondContact O-N 2.92Å; E492-N496 PolarHBondContact O-ND2 3.07Å; E492-R599 IonicContact OE1-CZ 3.3Å; E492-R599 IonicContact OE1-NH1 3.6Å; E492-R599 PolarHBondContact OE1-NH1 3.34Å; E492-W603 HydrophobicContact CG-CZ2 3.97Å
493E87Confident77.6Confident7 Ų731.6 Ų31.63%0.03317%0.169CC..Hα-helixtrans-68-30177.8-61.1-54.1145.200112.4R224 L227 R228 L231 L489 N496 C497R224-E493 HydrophobicContact CB-CG 4.13Å; R224-E493 WeakPolarHBondContact CD-OE1 3.35Å; R224-E493 HydrophobicContact CG-CG 3.95Å; R224-E493 WeakPolarHBondContact CG-OE1 3.38Å; R224-E493 IonicContact CZ-OE1 2.71Å; R224-E493 IonicContact NH1-OE1 3.22Å; R224-E493 PolarHBondContact NH1-OE1 3.01Å; L227-E493 HydrophobicContact CB-CB 4.25Å; L227-E493 HydrophobicContact CB-CG 4.37Å; L227-E493 HydrophobicContact CD1-CB 4.4Å; L227-E493 HydrophobicContact CD1-CG 4.27Å; R228-E493 IonicContact CZ-OE1 2.64Å; R228-E493 IonicContact CZ-OE2 2.68Å; R228-E493 IonicContact NE-OE1 3.86Å; R228-E493 IonicContact NE-OE2 2.93Å; R228-E493 PolarHBondContact NE-OE2 3.34Å; R228-E493 IonicContact NH2-OE1 2.91Å; R228-E493 PolarHBondContact NH2-OE1 3.01Å; R228-E493 IonicContact NH2-OE2 3.93Å; R228-E493 PolarHBondContact NH2-OE2 3.34Å; L231-E493 HydrophobicContact CD1-CB 4.43Å; L489-E493 WeakPolarHBondContact O-CG 3.43Å; L489-E493 PolarHBondContact O-N 2.83Å; E493-N496 PolarHBondContact O-N 3.31Å; E493-C497 WeakPolarHBondContact O-CB 3.33Å; E493-C497 PolarHBondContact O-N 3.48Å
494L84.9Confident75.2Confident4 Ų438.7 Ų38.72%0.02120%0.2CC..Hα-helixtrans-67.1-33.4170.5-74.1175.9000113.4L231 I490 E492 L500 L571 W572 V575L231-L494 HydrophobicContact CD1-CD2 3.88Å; L231-L494 HydrophobicContact CD1-CG 4.5Å; L231-L494 HydrophobicContact CD2-CD2 3.53Å; L231-L494 HydrophobicContact CG-CD2 4.37Å; I490-L494 HydrophobicContact CG2-CD1 3.78Å; I490-L494 HydrophobicContact CG2-CG 4.31Å; I490-L494 VanDerWaalsContact O-CB 3.31Å; I490-L494 WeakPolarHBondContact O-CB 3.32Å; I490-L494 WeakPolarHBondContact O-CG 3.31Å; I490-L494 PolarHBondContact O-N 2.91Å; E492-L494 VanDerWaalsContact C-N 3.32Å; E492-L494 PolarHBondContact O-N 2.97Å; L494-L500 HydrophobicContact CD2-CD1 3.84Å; L494-L500 WeakPolarHBondContact O-CD1 3.46Å; L494-L571 HydrophobicContact CD1-CD2 4.27Å; L494-L571 HydrophobicContact CD1-CG 4.22Å; L494-L571 HydrophobicContact CD2-CD2 3.46Å; L494-L571 VanDerWaalsContact CD2-CD2 3.46Å; L494-L571 HydrophobicContact CD2-CG 4.22Å; L494-W572 HydrophobicContact CB-CH2 3.64Å; L494-W572 HydrophobicContact CB-CZ2 3.89Å; L494-W572 HydrophobicContact CB-CZ3 4.38Å; L494-W572 HydrophobicContact CD1-CH2 4.49Å; L494-V575 HydrophobicContact CD1-CG2 3.81Å
495L83.4Confident72.8Confident11 Ų1139.9 Ų39.96%0.05821%0.209CC..Hα-helixtrans-76-34.8171.9-68168.5000111.3T491 E492 W572 W603 A606 R608 C609T491-L495 HydrophobicContact CG2-CD1 4.37Å; T491-L495 WeakPolarHBondContact O-CG 3.24Å; T491-L495 PolarHBondContact O-N 2.93Å; T491-L495 VanDerWaalsContact O-N 3.09Å; E492-L495 PolarHBondContact O-N 3.41Å; E492-L495 VanDerWaalsContact O-N 3.15Å; L495-W572 HydrophobicContact CD2-CH2 3.88Å; L495-W572 HydrophobicContact CG-CH2 4.1Å; L495-W603 HydrophobicContact CD1-CB 3.82Å; L495-W603 HydrophobicContact CD1-CD2 4.43Å; L495-W603 HydrophobicContact CD1-CG 3.68Å; L495-A606 HydrophobicContact CD2-CB 4.47Å; L495-R608 WeakPolarHBondContact O-CD 3.33Å; L495-R608 PolarHBondContact O-NH1 2.88Å; L495-C609 HydrophobicContact CD2-CB 4.26Å
496N81.6Confident70.1Confident103 Ų10344.7 Ų44.755%0.55123%0.227SC*.Hα-helixtrans-82.3-20.2-177.1-68.2-19000114.3E492 E493 S498 R608E492-N496 WeakPolarHBondContact O-CB 3.47Å; E492-N496 PolarHBondContact O-N 2.92Å; E492-N496 PolarHBondContact O-ND2 3.07Å; E493-N496 PolarHBondContact O-N 3.31Å; N496-S498 PolarHBondContact O-N 3.37Å; N496-R608 PolarHBondContact O-NH1 3.09Å
497C75.4Confident67.3Low19 Ų1954.1 Ų54.113%0.12826%0.263CS..  trans-64.9119.7176.2-178.70000112L231 E493 L500 R608L231-C497 HydrophobicContact CD1-CB 4.26Å; E493-C497 WeakPolarHBondContact O-CB 3.33Å; E493-C497 PolarHBondContact O-N 3.48Å; C497-L500 HydrophobicContact CB-CD1 4.02Å; C497-L500 HydrophobicContact CB-CG 4.22Å; C497-R608 VanDerWaalsContact C-NH1 3.33Å; C497-R608 PolarHBondContact O-NH1 3.35Å
498S62.1Low64.4Low85 Ų8559.4 Ų59.459%0.59429%0.291SS*.SBendtrans-81.3-20.1179.355.20000114.1N496N496-S498 PolarHBondContact O-N 3.37Å
499K60.1Low61.4Low117 Ų11766.7 Ų66.751%0.50932%0.324SS..SBendtrans-89.5-13.5-176-57.4177.7-177.7166.70113.2T232 A235T232-K499 HydrophobicContact CG2-CD 4.36Å; T232-K499 PolarHBondContact OG1-NZ 2.88Å; A235-K499 HydrophobicContact CB-CB 3.46Å; A235-K499 VanDerWaalsContact CB-CB 3.46Å
500L61.5Low58.4Low14 Ų1477.2 Ų77.27%0.07336%0.364CS..SBendtrans-63.1128.8167.8-81.6172.6000109.2L494 C497 V502 W567 T568L494-L500 HydrophobicContact CD2-CD1 3.84Å; L494-L500 WeakPolarHBondContact O-CD1 3.46Å; C497-L500 HydrophobicContact CB-CD1 4.02Å; C497-L500 HydrophobicContact CB-CG 4.22Å; L500-V502 PolarHBondContact O-N 3.36Å; L500-W567 HydrophobicContact CD2-CH2 3.45Å; L500-W567 VanDerWaalsContact CD2-CH2 3.45Å; L500-W567 HydrophobicContact CD2-CZ2 4.18Å; L500-W567 HydrophobicContact CD2-CZ3 3.98Å; L500-T568 HydrophobicContact CD2-CG2 3.96Å
501P53.5Low55.5Low59 Ų5985 Ų8538%0.38341%0.405SS..  trans-66101.817924.8-31.8000109.6I503 P565 T568P501-I503 PolarHBondContact O-N 2.95Å; P501-P565 HydrophobicContact CG-CG 3.84Å; P501-T568 HydrophobicContact CG-CG2 4.34Å
502V48.4Very low52.4Low49 Ų4988.9 Ų88.930%0.29744%0.437SS..  trans-56.3128.7-178-173.70000109.3L500 K504 R608L500-V502 PolarHBondContact O-N 3.36Å; V502-K504 HydrophobicContact CB-CG 4.09Å; V502-K504 HydrophobicContact CG1-CG 3.83Å; V502-K504 PolarHBondContact O-N 3.45Å; V502-R608 HydrophobicContact CG1-CG 4.47Å; V502-R608 HydrophobicContact CG2-CG 4.22Å
503I47.2Very low49.4Very low39 Ų3993.8 Ų93.820%0.247%0.47CS..  trans-71.973.8173.1-60.8168.3000107.9P501 S505 P610P501-I503 PolarHBondContact O-N 2.95Å; I503-S505 PolarHBondContact O-N 3.31Å; I503-P610 HydrophobicContact CD1-CB 3.97Å; I503-P610 HydrophobicContact CD1-CG 4.31Å
504K35.7Very low46.7Very low150 Ų150100.5 Ų100.565%0.65251%0.505SS*.  trans-74.771178.6-82.5-178.3176.6176.10110V502 R506V502-K504 HydrophobicContact CB-CG 4.09Å; V502-K504 HydrophobicContact CG1-CG 3.83Å; V502-K504 PolarHBondContact O-N 3.45Å; K504-R506 PolarHBondContact O-N 3.08Å
505S38.1Very low43.9Very low47 Ų47108 Ų10833%0.32955%0.545SS..  trans-47.2108.3153.3-94.80000107.9I503 R507 R611 R658I503-S505 PolarHBondContact O-N 3.31Å; S505-R507 PolarHBondContact O-N 3.4Å; S505-R611 PolarHBondContact OG-O 3.4Å; S505-R658 WeakPolarHBondContact OG-CD 3.3Å; S505-R658 PolarHBondContact OG-NH1 3.03Å
506R30.4Very low41.3Very low192 Ų192112.8 Ų112.873%0.72557%0.574SS**  trans-57.8120.5-162-163.7-175.8-166.5-156.17.2111.8K504 N508K504-R506 PolarHBondContact O-N 3.08Å; R506-N508 WeakPolarHBondContact CD-OD1 3.49Å; R506-N508 WeakPolarHBondContact CG-OD1 3.4Å; R506-N508 PolarHBondContact NE-OD1 3.42Å; R506-N508 VanDerWaalsContact NE-OD1 3.14Å; R506-N508 PolarHBondContact NH1-OD1 2.96Å; R506-N508 PolarHBondContact O-N 3.41Å
507R27.4Very low39.1Very low198 Ų198113.2 Ų113.275%0.74758%0.582SS**  trans-76.971.3175.5-161.2178.9-166.9144.9-2.2109.9S505 Q509S505-R507 PolarHBondContact O-N 3.4Å; R507-Q509 PolarHBondContact O-N 3.19Å
508N31.8Very low36.9Very low110 Ų110119.9 Ų119.959%0.58862%0.617SS**  trans-81.267.1178.5-110.350.8000111.5R506R506-N508 WeakPolarHBondContact CD-OD1 3.49Å; R506-N508 WeakPolarHBondContact CG-OD1 3.4Å; R506-N508 PolarHBondContact NE-OD1 3.42Å; R506-N508 VanDerWaalsContact NE-OD1 3.14Å; R506-N508 PolarHBondContact NH1-OD1 2.96Å; R506-N508 PolarHBondContact O-N 3.41Å
509Q26Very low35.3Very low162 Ų162126.4 Ų126.476%0.75763%0.628SS**  trans-94.491.8155.1-90.2-177.2-55.200108.5R507R507-Q509 PolarHBondContact O-N 3.19Å
510R25.1Very low33.6Very low223 Ų223128.3 Ų128.384%0.84264%0.643SS**  trans-176.9151.4154.1-100152.4-169.5176.53.1107.6
511N27.6Very low32.1Very low163 Ų163136.1 Ų136.187%0.87268%0.679SS**  trans67.250.2-174-5735.4000114.3
512A24.2Very low30.8Very low82 Ų82138.9 Ų138.968%0.67870%0.695SS**SBend-85.7137121.400000107.2
513T26.7Very low29.8Very low135 Ų135144.6 Ų144.683%0.82872%0.723SS**  trans43.3103.8162.557.60000119.2
514I29Very low28.7Very low149 Ų149146.3 Ų146.376%0.76474%0.742SS**  trans-137.3105.8139.8-65-171.2000107.8V516I514-V516 HydrophobicContact CG2-CG2 3.5Å; I514-V516 VanDerWaalsContact CG2-CG2 3.5Å
515D26.8Very low28.2Very low162 Ų162145.7 Ų145.787%0.86675%0.751SS**  trans-173.580.6156.8-93.7-26.5000103.9
516V28.3Very low27.9Very low110 Ų110148.8 Ų148.867%0.66777%0.77SS**  63.8125.666.5-172.70000111.7I514I514-V516 HydrophobicContact CG2-CG2 3.5Å; I514-V516 VanDerWaalsContact CG2-CG2 3.5Å
517P37Very low27.5Very low112 Ų112151.2 Ų151.273%0.72778%0.779SS**  cis-132.7177.9-19.239.4-23.5000114.4
518N28.4Very low27.5Very low159 Ų159150.2 Ų150.285%0.8579%0.787SS**  -143166.5126.1-141.7-20.8000111.1
519R29.1Very low27.2Very low222 Ų222149.1 Ų149.184%0.83879%0.788SS**  trans-79.5138.8-155.1-72.9-179.7168.1-168.3-3.4117
520L24.2Very low27.3Very low157 Ų157150.5 Ų150.582%0.82279%0.794SS**  trans13.7122.8130.1-60.2158.6000116.3
521Q28.8Very low27.5Very low178 Ų178143.4 Ų143.483%0.83279%0.79SS**  -166.6143.280.1-96.4-173.23.800114.4
522T26Very low27.4Very low117 Ų117144.3 Ų144.372%0.71879%0.79SS**  trans49.8146139.9-20.30000123.8
523I27.2Very low27.6Very low170 Ų170149.9 Ų149.987%0.87280%0.801SS**  trans84157164.2-49.2-171.6000116
524A25.4Very low27.6Very low75 Ų75147.3 Ų147.362%0.6279%0.789SS**  trans-115.7157-143.500000116.5
525T25.7Very low27.5Very low136 Ų136147.5 Ų147.583%0.83479%0.791SS**  trans67.9175.2163.671.70000115.3
526P30.2Very low27.4Very low113 Ų113145.7 Ų145.773%0.73478%0.781SS**  -130.8143.7-95.434.2-14.7000117.2
527R22Very low27.3Very low242 Ų242147 Ų14791%0.91379%0.785SS**  trans56.5121.4162.7-71.1-174.3174.3-174.80.2119
528I28.1Very low26.8Very low177 Ų177150.2 Ų150.291%0.90878%0.782SS**  -166.4171.4117.9-99.2156.8000108.7
529S25.7Very low26.6Very low88 Ų88151.1 Ų151.162%0.61578%0.781SS**  trans-131.3-179.2-16353.20000114.8
530H28.2Very low26.4Very low190 Ų190148.6 Ų148.688%0.8877%0.773SS**  trans82.3148.5-175.6-51.8-83.5000115
531G28.3Very low26.4Very low74 Ų74146.2 Ų146.276%0.76377%0.769SS**  cis-169.4152.3-3.900000111.8
532Q26.2Very low26.2Very low183 Ų183143.8 Ų143.886%0.85577%0.772SS**  trans-73153.5-168.6-59.9172.7-89.300115.5
533Q28.9Very low26Very low198 Ų198146.7 Ų146.793%0.92578%0.778SS**  -143.1168.4127.3-107.2177.911.900110.1
534S26.6Very low25.9Very low82 Ų82143.7 Ų143.757%0.57377%0.767SS**  trans-164.9172-154.2550000114.6
535L25.6Very low25.8Very low152 Ų152147.9 Ų147.980%0.79678%0.778SS**  trans81142.9173.8-47.1163.4000113.2
536N25.2Very low25.6Very low124 Ų124146.3 Ų146.366%0.66377%0.773SS**  cis-156.2176.4-10.1-121.924.2000108.6
537D27.1Very low25.3Very low138 Ų138144.9 Ų144.974%0.73877%0.771SS**  cis-156.2-179.344.4-116.7-35.6000116
538R25.4Very low25.5Very low179 Ų179140.7 Ų140.768%0.67577%0.766SS**  trans-150.6159.8-176.7-76.3173.4155.8-170.1-1.5113.1Y540R538-Y540 PolarHBondContact NH1-OH 2.87Å
539Q25.6Very low25.4Very low179 Ų179137 Ų13784%0.83676%0.757SS**  trans-172.9141.5140.1-96.6146.446.800108.9
540Y24.5Very low25.4Very low169 Ų169137.7 Ų137.766%0.66376%0.757SS**  cis97.9140.828.3-66.9-33.7000114.2R538R538-Y540 PolarHBondContact NH1-OH 2.87Å
541S24.4Very low25.3Very low106 Ų106135.4 Ų135.474%0.74175%0.751SS**  cis179.2137.1-37.2-98.60000110.7
542S23.2Very low25.2Very low127 Ų127138.2 Ų138.289%0.88875%0.749SS**  trans-168.9167.1168.6-83.60000114.9
543E22.2Very low25.1Very low179 Ų179132.2 Ų132.284%0.83674%0.735SS**  trans-115.9-162.6-173.6-59.5-173.759.400112.7
544T26.3Very low24.9Very low107 Ų107133.2 Ų133.266%0.65673%0.733SS**  cis-168.8166.921.2-16.60000112.5
545L22.9Very low24.7Very low162 Ų162137 Ų13785%0.84875%0.746SS**  trans69.3143.2158.7-70.7164.2000118.2
546S21.7Very low24.7Very low103 Ų103136.3 Ų136.372%0.7274%0.743SS**  cis-166.4165.217.346.80000114
547A23.7Very low24.7Very low84 Ų84135.5 Ų135.569%0.69475%0.748SS**  trans51.3137.3152.500000121.1
548N25.3Very low24.5Very low153 Ų153134.2 Ų134.282%0.81875%0.749SS**  cis-159.6178.8-4.8-89.8-25.1000106.4
549S26.7Very low24.5Very low101 Ų101131 Ų13171%0.70676%0.755SS**  cis-143.4146.14.4-164.90000105.8
550V25.2Very low24.5Very low101 Ų101127.7 Ų127.761%0.61275%0.751SS**  cis74.484.142.4-171.60000114.3
551N26.8Very low24.6Very low142 Ų142127.1 Ų127.176%0.75976%0.758SS**  173143.4118-95.7-32.4000112
552N26.3Very low25.1Very low134 Ų134127.9 Ų127.972%0.71775%0.754SS**  cis-155.8138.4-39.4-137.5-29.4000109.9
553G23.2Very low26Very low56 Ų56128.1 Ų128.158%0.57774%0.741SS**  trans-111.6-163.2178.700000113.2
554Y26.2Very low27.4Very low220 Ų220121.3 Ų121.386%0.86371%0.713SS**  trans82.370.9169.9-54.3-67.6000119N556Y554-N556 PolarHBondContact O-N 3.13Å
555N22.2Very low28.7Very low160 Ų160117.9 Ų117.986%0.85669%0.693SS**  trans-68.8102.7136.3-83.4-31.7000109.2
556N25.2Very low30.4Very low138 Ų138114.7 Ų114.774%0.73868%0.682SS**  trans-164.3101.5161.3-109.8-31.4000112.6Y554Y554-N556 PolarHBondContact O-N 3.13Å
557S24Very low32.4Very low108 Ų108112.9 Ų112.976%0.75566%0.659SS**  trans-148.742176.950.50000112.8S559S557-S559 VanDerWaalsContact C-N 3.34Å; S557-S559 PolarHBondContact O-N 3.4Å
558S23.2Very low34.5Very low110 Ų110109.1 Ų109.177%0.76963%0.627SS**  trans-80.668.7-179.760.10000113.1
559S24.9Very low36.5Very low113 Ų113103.2 Ų103.279%0.7960%0.597SS**  trans-146.531.9-174.9540000116S557S557-S559 VanDerWaalsContact C-N 3.34Å; S557-S559 PolarHBondContact O-N 3.4Å
560S25.6Very low38.5Very low108 Ų108101.7 Ų101.776%0.75558%0.576SS**  trans-122.8-7.5177.959.80000116.3
561L27.3Very low41.1Very low158 Ų15897.6 Ų97.683%0.82755%0.55SS**  trans-92.1100.7175.9-75.782.3000111.4
562N35.6Very low43.7Very low122 Ų12291.4 Ų91.465%0.65252%0.516SS*.  trans-175.869.8153.7-100.8-23.7000111.6
563Q42.4Very low46.1Very low132 Ų13285.8 Ų85.862%0.61749%0.486SS*.  trans-126.6123.5160.1-70.7-173.1-1.400108.1
564S50.6Low48.9Very low36 Ų3684.8 Ų84.825%0.25247%0.466SS..  trans-77.2147.2173.246.60000110.2
565P54.5Low51.8Low35 Ų3574.3 Ų74.323%0.22743%0.425CS..  trans-58.4136.3177.4-25.535.8000111.4P501 W567 T568P501-P565 HydrophobicContact CG-CG 3.84Å; P565-W567 VanDerWaalsContact CB-CD1 3.45Å; P565-W567 HydrophobicContact CB-CG 4.33Å; P565-W567 PolarHBondContact O-N 3Å; P565-T568 HydrophobicContact CB-CG2 4.49Å; P565-T568 PolarHBondContact O-N 2.92Å; P565-T568 PolarHBondContact O-OG1 2.82Å
566P57.2Low54.8Low94 Ų9466.8 Ų66.861%0.6139%0.385SS*.Hα-helixtrans-56.7-20.7-176.5-29.536.1000115.4
567W64.1Low57.5Low66 Ų6660.6 Ų60.625%0.2535%0.352CS..Hα-helixtrans-71.5-33.5175.273.1-99.3000113.2L234 L500 P565 V569 R570 L571L234-W567 HydrophobicContact CB-CH2 3.75Å; L234-W567 HydrophobicContact CB-CZ2 4.03Å; L234-W567 HydrophobicContact CB-CZ3 4.31Å; L234-W567 HydrophobicContact CD1-CZ3 4.31Å; L500-W567 HydrophobicContact CD2-CH2 3.45Å; L500-W567 VanDerWaalsContact CD2-CH2 3.45Å; L500-W567 HydrophobicContact CD2-CZ2 4.18Å; L500-W567 HydrophobicContact CD2-CZ3 3.98Å; P565-W567 VanDerWaalsContact CB-CD1 3.45Å; P565-W567 HydrophobicContact CB-CG 4.33Å; P565-W567 PolarHBondContact O-N 3Å; W567-V569 VanDerWaalsContact C-N 3.33Å; W567-V569 PolarHBondContact O-N 3.45Å; W567-R570 PolarHBondContact O-N 3.03Å; W567-L571 HydrophobicContact CE3-CD2 4.29Å; W567-L571 HydrophobicContact CZ3-CD2 3.84Å; W567-L571 WeakPolarHBondContact O-CB 3.43Å; W567-L571 PolarHBondContact O-N 3.49Å
568T68.2Low60.5Low4 Ų455.5 Ų55.53%0.02532%0.316CS..Hα-helixtrans-70.5-31.4179.864.10000111.6L500 P501 P565 L571 W572L500-T568 HydrophobicContact CD2-CG2 3.96Å; P501-T568 HydrophobicContact CG-CG2 4.34Å; P565-T568 HydrophobicContact CB-CG2 4.49Å; P565-T568 PolarHBondContact O-N 2.92Å; P565-T568 PolarHBondContact O-OG1 2.82Å; T568-L571 WeakPolarHBondContact O-CB 3.37Å; T568-L571 PolarHBondContact O-N 3.18Å; T568-W572 PolarHBondContact O-N 3.31Å
569V66.8Low63.7Low29 Ų2950.2 Ų50.218%0.17628%0.279CS..Hα-helixtrans-65.7-47.2174.5-177.40000110.4W567 L571 W572 E573W567-V569 VanDerWaalsContact C-N 3.33Å; W567-V569 PolarHBondContact O-N 3.45Å; V569-L571 VanDerWaalsContact C-N 3.3Å; V569-L571 PolarHBondContact O-N 3.15Å; V569-W572 PolarHBondContact O-N 3.23Å; V569-E573 WeakPolarHBondContact O-CG 3.35Å; V569-E573 PolarHBondContact O-N 2.77Å
570R69.9Low66.6Low70 Ų7044.9 Ų44.926%0.26424%0.242SC..Hα-helixtrans-57.2-42.4175.7-69.9174.5173.6157.73.9112.7W567 E573 E574 H1207W567-R570 PolarHBondContact O-N 3.03Å; R570-E573 PolarHBondContact O-N 2.92Å; R570-E574 PolarHBondContact O-N 3.34Å; R570-H1207 PolarHBondContact NE-CD2 3.47Å; R570-H1207 PolarHBondContact NE-CE1 3.09Å; R570-H1207 PolarHBondContact NE-NE2 3.31Å; R570-H1207 PolarHBondContact NH2-CE1 3.26Å; R570-H1207 VanDerWaalsContact NH2-CE1 3.35Å; R570-H1207 PolarHBondContact NH2-ND1 3.36Å
571L79.3Confident69.4Low15 Ų1539.8 Ų39.88%0.07921%0.206CC..Hα-helixtrans-57.8-51178.3-168.776.6000111.4I465 F469 L494 W567 T568 V569 E574 V575I465-L571 HydrophobicContact CG2-CD1 3.84Å; F469-L571 HydrophobicContact CE2-CD1 3.84Å; F469-L571 HydrophobicContact CZ-CD1 4.32Å; L494-L571 HydrophobicContact CD1-CD2 4.27Å; L494-L571 HydrophobicContact CD1-CG 4.22Å; L494-L571 HydrophobicContact CD2-CD2 3.46Å; L494-L571 VanDerWaalsContact CD2-CD2 3.46Å; L494-L571 HydrophobicContact CD2-CG 4.22Å; W567-L571 HydrophobicContact CE3-CD2 4.29Å; W567-L571 HydrophobicContact CZ3-CD2 3.84Å; W567-L571 WeakPolarHBondContact O-CB 3.43Å; W567-L571 PolarHBondContact O-N 3.49Å; T568-L571 WeakPolarHBondContact O-CB 3.37Å; T568-L571 PolarHBondContact O-N 3.18Å; V569-L571 VanDerWaalsContact C-N 3.3Å; V569-L571 PolarHBondContact O-N 3.15Å; L571-E574 PolarHBondContact O-N 3.25Å; L571-V575 WeakPolarHBondContact O-CG2 3.28Å; L571-V575 PolarHBondContact O-N 3.48Å; L571-V575 VanDerWaalsContact O-N 3.15Å
572W81.2Confident72.2Confident12 Ų1232.5 Ų32.55%0.04517%0.168CC..Hα-helixtrans-71.7-28.5179.1-72.8117.5000113.3L494 L495 T568 V569 V575 C576 P610 Y615 V661 F662L494-W572 HydrophobicContact CB-CH2 3.64Å; L494-W572 HydrophobicContact CB-CZ2 3.89Å; L494-W572 HydrophobicContact CB-CZ3 4.38Å; L494-W572 HydrophobicContact CD1-CH2 4.49Å; L495-W572 HydrophobicContact CD2-CH2 3.88Å; L495-W572 HydrophobicContact CG-CH2 4.1Å; T568-W572 PolarHBondContact O-N 3.31Å; V569-W572 PolarHBondContact O-N 3.23Å; W572-V575 HydrophobicContact CE3-CB 4.26Å; W572-V575 HydrophobicContact CE3-CG1 4.17Å; W572-V575 HydrophobicContact CE3-CG2 4.47Å; W572-V575 HydrophobicContact CZ3-CG1 4.26Å; W572-C576 VanDerWaalsContact O-CB 3.3Å; W572-C576 WeakPolarHBondContact O-CB 3.41Å; W572-C576 PolarHBondContact O-N 3.09Å; W572-P610 HydrophobicContact CB-CG 4.29Å; W572-P610 HydrophobicContact CD2-CG 3.48Å; W572-P610 VanDerWaalsContact CD2-CG 3.48Å; W572-P610 VanDerWaalsContact CE2-CG 3.5Å; W572-P610 HydrophobicContact CE3-CG 4.12Å; W572-P610 HydrophobicContact CG-CG 3.53Å; W572-P610 HydrophobicContact CZ2-CG 4.16Å; W572-Y615 WeakPolarHBondContact CB-OH 3.33Å; W572-V661 HydrophobicContact CB-CG2 4.17Å; W572-V661 HydrophobicContact CE3-CG1 4.1Å; W572-V661 HydrophobicContact CE3-CG2 4.46Å; W572-V661 HydrophobicContact CZ3-CG1 4.49Å; W572-V661 WeakPolarHBondContact O-CG2 3.33Å; W572-F662 HydrophobicContact CZ3-CZ 4.13Å
573E76Confident74.6Confident16 Ų1626.7 Ų26.78%0.07514%0.137CC..Hα-helixtrans-64.5-41.4169.2-76.2-175.4169.900112.9V569 R570 C576 L577 R1136V569-E573 WeakPolarHBondContact O-CG 3.35Å; V569-E573 PolarHBondContact O-N 2.77Å; R570-E573 PolarHBondContact O-N 2.92Å; E573-C576 PolarHBondContact O-N 3.15Å; E573-L577 WeakPolarHBondContact O-CB 3.38Å; E573-L577 PolarHBondContact O-N 2.7Å; E573-R1136 IonicContact OE2-CZ 3.81Å; E573-R1136 IonicContact OE2-NE 3.67Å; E573-R1136 PolarHBondContact OE2-NE 3.19Å; E573-R1136 IonicContact OE2-NH2 3.5Å; E573-R1136 PolarHBondContact OE2-NH2 2.9Å
574E81.7Confident76.4Confident35 Ų3520.4 Ų20.416%0.16411%0.108CC..Hα-helixtrans-65.6-42.5175.3-68.5-63.1145.100111.5F469 R473 R570 L571 C576 L577 L578 R1136F469-E574 HydrophobicContact CD2-CB 4.38Å; F469-E574 HydrophobicContact CE2-CB 4.32Å; F469-E574 HydrophobicContact CZ-CB 4.47Å; R473-E574 IonicContact CZ-OE2 2.83Å; R473-E574 IonicContact NH2-OE2 3.18Å; R473-E574 PolarHBondContact NH2-OE2 2.85Å; R570-E574 PolarHBondContact O-N 3.34Å; L571-E574 PolarHBondContact O-N 3.25Å; E574-C576 PolarHBondContact O-N 2.97Å; E574-L577 PolarHBondContact O-N 3.33Å; E574-L578 WeakPolarHBondContact O-CB 3.24Å; E574-L578 WeakPolarHBondContact O-CG 3.36Å; E574-L578 PolarHBondContact O-N 2.89Å; E574-R1136 IonicContact OE1-CZ 2.77Å; E574-R1136 IonicContact OE1-NH1 2.76Å; E574-R1136 PolarHBondContact OE1-NH1 3.49Å; E574-R1136 IonicContact OE1-NH2 2.88Å; E574-R1136 PolarHBondContact OE1-NH2 3.07Å
575V87.6Confident77.8Confident0 Ų019.3 Ų19.30%010%0.1CC..Hα-helixtrans-59.8-45.2174.71720000111.2F469 T491 L494 L571 W572 L578 W579 F662F469-V575 HydrophobicContact CE1-CG2 3.84Å; F469-V575 HydrophobicContact CZ-CG2 3.67Å; T491-V575 HydrophobicContact CG2-CG1 4.36Å; L494-V575 HydrophobicContact CD1-CG2 3.81Å; L571-V575 WeakPolarHBondContact O-CG2 3.28Å; L571-V575 PolarHBondContact O-N 3.48Å; L571-V575 VanDerWaalsContact O-N 3.15Å; W572-V575 HydrophobicContact CE3-CB 4.26Å; W572-V575 HydrophobicContact CE3-CG1 4.17Å; W572-V575 HydrophobicContact CE3-CG2 4.47Å; W572-V575 HydrophobicContact CZ3-CG1 4.26Å; V575-L578 PolarHBondContact O-N 3.34Å; V575-W579 PolarHBondContact O-N 2.85Å; V575-F662 HydrophobicContact CG1-CE1 4.2Å
576C85.4Confident78.8Confident2 Ų220 Ų201%0.01410%0.104CC..Hα-helixtrans-57.8-50.7176.3-171.60000111.6W572 E573 E574 T580 V661W572-C576 VanDerWaalsContact O-CB 3.3Å; W572-C576 WeakPolarHBondContact O-CB 3.41Å; W572-C576 PolarHBondContact O-N 3.09Å; E573-C576 PolarHBondContact O-N 3.15Å; E574-C576 PolarHBondContact O-N 2.97Å; C576-T580 PolarHBondContact O-N 2.9Å; C576-T580 VanDerWaalsContact O-N 3.12Å; C576-T580 PolarHBondContact O-OG1 3.41Å; C576-V661 HydrophobicContact CB-CG2 3.74Å; C576-V661 PolarHBondContact SG-O 3.43Å
577L81.9Confident79.6Confident8 Ų819.3 Ų19.34%0.04210%0.096CC..Hα-helixtrans-62.9-46.1179.7175.758.3000112E573 E574 T580 C581 L771 A774E573-L577 WeakPolarHBondContact O-CB 3.38Å; E573-L577 PolarHBondContact O-N 2.7Å; E574-L577 PolarHBondContact O-N 3.33Å; L577-T580 PolarHBondContact O-N 2.92Å; L577-C581 PolarHBondContact O-N 2.91Å; L577-C581 PolarHBondContact O-SG 3.38Å; L577-C581 VanDerWaalsContact O-SG 3.32Å; L577-L771 HydrophobicContact CD1-CD2 4.06Å; L577-A774 HydrophobicContact CD1-CB 4.23Å
578L87.7Confident80.3Confident0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-67-37.8-178-74.8170.9000112.7F469 V472 R473 L476 L487 E574 V575 C581 V582F469-L578 HydrophobicContact CB-CD1 4.18Å; F469-L578 HydrophobicContact CD1-CD1 3.39Å; F469-L578 HydrophobicContact CE1-CD1 4.09Å; F469-L578 HydrophobicContact CG-CD1 4.11Å; V472-L578 HydrophobicContact CG1-CD1 4.24Å; V472-L578 HydrophobicContact CG1-CD2 4.2Å; R473-L578 HydrophobicContact CG-CD2 3.67Å; L476-L578 HydrophobicContact CD1-CD2 4.39Å; L487-L578 HydrophobicContact CD1-CB 3.87Å; L487-L578 HydrophobicContact CD1-CD1 3.96Å; L487-L578 HydrophobicContact CD2-CB 3.64Å; L487-L578 HydrophobicContact CG-CB 4.43Å; E574-L578 WeakPolarHBondContact O-CB 3.24Å; E574-L578 WeakPolarHBondContact O-CG 3.36Å; E574-L578 PolarHBondContact O-N 2.89Å; V575-L578 PolarHBondContact O-N 3.34Å; L578-C581 WeakPolarHBondContact O-CB 3.34Å; L578-C581 PolarHBondContact O-N 2.86Å; L578-V582 WeakPolarHBondContact O-CG2 3.28Å; L578-V582 PolarHBondContact O-N 2.68Å
579W90.2Very high80.8Confident0 Ų020.1 Ų20.10%011%0.112CC..Hα-helixtrans-66.5-40.1173-79.2120.7000112.4P484 L487 T491 V575 C581 V582 V583 W596 F600 W603 F662 P665P484-W579 WeakPolarHBondContact O-CH2 3.12Å; L487-W579 HydrophobicContact CB-CH2 4.16Å; L487-W579 HydrophobicContact CB-CZ2 3.98Å; L487-W579 HydrophobicContact CD2-CD2 3.46Å; L487-W579 VanDerWaalsContact CD2-CD2 3.46Å; L487-W579 HydrophobicContact CD2-CE3 3.76Å; L487-W579 HydrophobicContact CD2-CG 3.87Å; L487-W579 HydrophobicContact CD2-CH2 4.2Å; L487-W579 HydrophobicContact CD2-CZ2 3.94Å; L487-W579 HydrophobicContact CD2-CZ3 4.12Å; L487-W579 HydrophobicContact CG-CD2 4.02Å; L487-W579 HydrophobicContact CG-CH2 4.17Å; L487-W579 HydrophobicContact CG-CZ2 3.63Å; T491-W579 PolarHBondContact OG1-NE1 3.46Å; V575-W579 PolarHBondContact O-N 2.85Å; W579-C581 VanDerWaalsContact C-N 3.27Å; W579-C581 PolarHBondContact O-N 2.74Å; W579-V582 HydrophobicContact CE3-CB 4.15Å; W579-V582 HydrophobicContact CE3-CG1 4.22Å; W579-V582 HydrophobicContact CE3-CG2 4.3Å; W579-V582 HydrophobicContact CZ3-CG1 4.17Å; W579-V582 HydrophobicContact CZ3-CG2 4.48Å; W579-V582 PolarHBondContact O-N 3.22Å; W579-V583 VanDerWaalsContact O-CB 3.28Å; W579-V583 WeakPolarHBondContact O-CB 3.41Å; W579-V583 WeakPolarHBondContact O-CG2 3.34Å; W579-V583 PolarHBondContact O-N 2.94Å; W579-W596 HydrophobicContact CE3-CE3 4.47Å; W579-W596 AromaticContact CH2-CE3 3.95Å; W579-W596 HydrophobicContact CH2-CE3 3.95Å; W579-W596 AromaticContact CH2-CH2 3.9Å; W579-W596 HydrophobicContact CH2-CH2 3.9Å; W579-W596 AromaticContact CH2-CZ3 3.45Å; W579-W596 HydrophobicContact CH2-CZ3 3.45Å; W579-W596 VanDerWaalsContact CH2-CZ3 3.45Å; W579-W596 HydrophobicContact CZ3-CD2 4.05Å; W579-W596 AromaticContact CZ3-CE3 3.6Å; W579-W596 HydrophobicContact CZ3-CE3 3.6Å; W579-W596 AromaticContact CZ3-CH2 3.91Å; W579-W596 HydrophobicContact CZ3-CH2 3.91Å; W579-W596 HydrophobicContact CZ3-CZ2 4.31Å; W579-W596 AromaticContact CZ3-CZ3 3.53Å; W579-W596 HydrophobicContact CZ3-CZ3 3.53Å; W579-F600 HydrophobicContact CB-CE1 3.87Å; W579-F600 HydrophobicContact CB-CZ 4Å; W579-F600 AromaticContact CD2-CE1 3.51Å; W579-F600 HydrophobicContact CD2-CE1 3.51Å; W579-F600 AromaticContact CD2-CZ 3.95Å; W579-F600 HydrophobicContact CD2-CZ 3.95Å; W579-F600 AromaticContact CE3-CE1 3.67Å; W579-F600 HydrophobicContact CE3-CE1 3.67Å; W579-F600 AromaticContact CE3-CZ 3.68Å; W579-F600 HydrophobicContact CE3-CZ 3.68Å; W579-F600 AromaticContact CG-CE1 3.6Å; W579-F600 HydrophobicContact CG-CE1 3.6Å; W579-F600 HydrophobicContact CG-CZ 4.11Å; W579-F600 HydrophobicContact CZ3-CE1 4.44Å; W579-F600 HydrophobicContact CZ3-CZ 4.48Å; W579-W603 HydrophobicContact CD2-CZ3 4.38Å; W579-W603 AromaticContact CE2-CZ3 3.61Å; W579-W603 AromaticContact CH2-CH2 3.92Å; W579-W603 HydrophobicContact CH2-CH2 3.92Å; W579-W603 HydrophobicContact CH2-CZ3 4.12Å; W579-W603 AromaticContact CZ2-CH2 3.45Å; W579-W603 HydrophobicContact CZ2-CH2 3.45Å; W579-W603 VanDerWaalsContact CZ2-CH2 3.45Å; W579-W603 AromaticContact CZ2-CZ3 3.47Å; W579-W603 HydrophobicContact CZ2-CZ3 3.47Å; W579-W603 VanDerWaalsContact CZ2-CZ3 3.47Å; W579-W603 AromaticContact NE1-CZ3 3.86Å; W579-F662 AromaticContact CD1-CE1 4Å; W579-P665 HydrophobicContact CB-CB 3.92Å; W579-P665 HydrophobicContact CB-CG 3.64Å
580T85.3Confident81.2Confident1 Ų123.5 Ų23.51%0.00613%0.132CC..Hα-helixtrans-60.1-38.5171.5-60.70000111.6C576 L577 V583 L584 A668 L771C576-T580 PolarHBondContact O-N 2.9Å; C576-T580 VanDerWaalsContact O-N 3.12Å; C576-T580 PolarHBondContact O-OG1 3.41Å; L577-T580 PolarHBondContact O-N 2.92Å; T580-V583 PolarHBondContact O-N 3.34Å; T580-L584 HydrophobicContact CG2-CD1 3.73Å; T580-L584 HydrophobicContact CG2-CG 4.32Å; T580-L584 VanDerWaalsContact O-CB 3.28Å; T580-L584 WeakPolarHBondContact O-CB 3.31Å; T580-L584 WeakPolarHBondContact O-CG 3.34Å; T580-L584 PolarHBondContact O-N 2.81Å; T580-A668 HydrophobicContact CG2-CB 3.89Å; T580-L771 HydrophobicContact CG2-CB 4.11Å; T580-L771 HydrophobicContact CG2-CD1 4.28Å; T580-L771 HydrophobicContact CG2-CD2 4Å; T580-L771 HydrophobicContact CG2-CG 4.35Å
581C84.9Confident81.6Confident1 Ų124.8 Ų24.81%0.00714%0.141CC..Hα-helixtrans-65.7-38.2174.9-76.30000114.5L577 L578 W579 S585 S778 N779L577-C581 PolarHBondContact O-N 2.91Å; L577-C581 PolarHBondContact O-SG 3.38Å; L577-C581 VanDerWaalsContact O-SG 3.32Å; L578-C581 WeakPolarHBondContact O-CB 3.34Å; L578-C581 PolarHBondContact O-N 2.86Å; W579-C581 VanDerWaalsContact C-N 3.27Å; W579-C581 PolarHBondContact O-N 2.74Å; C581-S585 PolarHBondContact O-N 2.91Å; C581-S778 VanDerWaalsContact CB-OG 3.23Å; C581-S778 WeakPolarHBondContact CB-OG 3.29Å; C581-S778 PolarHBondContact SG-OG 2.97Å; C581-S778 VanDerWaalsContact SG-OG 3.33Å; C581-N779 PolarHBondContact O-ND2 3.31Å
582V86.2Confident81.7Confident4 Ų425.2 Ų25.22%0.02415%0.147CC..Hα-helixtrans-65.2-48.3174167.90000110.5L476 P484 L487 L578 W579 L584 S585L476-V582 HydrophobicContact CD1-CG2 4.01Å; L476-V582 HydrophobicContact CD2-CG2 3.85Å; P484-V582 HydrophobicContact CB-CG1 3.99Å; P484-V582 HydrophobicContact CB-CG2 4.33Å; P484-V582 HydrophobicContact CG-CG1 3.92Å; P484-V582 HydrophobicContact CG-CG2 4.14Å; L487-V582 HydrophobicContact CD2-CG2 4Å; L578-V582 WeakPolarHBondContact O-CG2 3.28Å; L578-V582 PolarHBondContact O-N 2.68Å; W579-V582 HydrophobicContact CE3-CB 4.15Å; W579-V582 HydrophobicContact CE3-CG1 4.22Å; W579-V582 HydrophobicContact CE3-CG2 4.3Å; W579-V582 HydrophobicContact CZ3-CG1 4.17Å; W579-V582 HydrophobicContact CZ3-CG2 4.48Å; W579-V582 PolarHBondContact O-N 3.22Å; V582-L584 VanDerWaalsContact C-N 3.34Å; V582-L584 PolarHBondContact O-N 2.87Å; V582-S585 PolarHBondContact O-N 3.33Å; V582-S585 VanDerWaalsContact O-N 3.15Å; V582-S585 PolarHBondContact O-OG 3.05Å
583V85.3Confident81.8Confident0 Ų025.3 Ų25.30%015%0.148CC..Hα-helixtrans-69.8-32.3-174.2169.30000112.5W579 T580 K593 W596 F600 A668 S669W579-V583 VanDerWaalsContact O-CB 3.28Å; W579-V583 WeakPolarHBondContact O-CB 3.41Å; W579-V583 WeakPolarHBondContact O-CG2 3.34Å; W579-V583 PolarHBondContact O-N 2.94Å; T580-V583 PolarHBondContact O-N 3.34Å; V583-K593 VanDerWaalsContact O-CE 3.26Å; V583-K593 WeakPolarHBondContact O-CE 3.43Å; V583-W596 HydrophobicContact CG2-CB 4.46Å; V583-F600 HydrophobicContact CG2-CE2 3.39Å; V583-F600 HydrophobicContact CG2-CZ 3.52Å; V583-A668 HydrophobicContact CG1-CB 4.36Å; V583-S669 VanDerWaalsContact CG1-CB 3.43Å
584L81.4Confident82.1Confident0 Ų031.7 Ų31.70%017%0.171CC..THydrogen-bonded Turntrans-92.615.9173.1-63.7179.3000112.9T580 V582 A668 M671 W673 L771 R772 A775T580-L584 HydrophobicContact CG2-CD1 3.73Å; T580-L584 HydrophobicContact CG2-CG 4.32Å; T580-L584 VanDerWaalsContact O-CB 3.28Å; T580-L584 WeakPolarHBondContact O-CB 3.31Å; T580-L584 WeakPolarHBondContact O-CG 3.34Å; T580-L584 PolarHBondContact O-N 2.81Å; V582-L584 VanDerWaalsContact C-N 3.34Å; V582-L584 PolarHBondContact O-N 2.87Å; L584-A668 HydrophobicContact CD1-CB 4.23Å; L584-A668 HydrophobicContact CD2-CB 4.14Å; L584-A668 WeakPolarHBondContact CD2-O 3.28Å; L584-A668 HydrophobicContact CG-CB 4.07Å; L584-M671 HydrophobicContact CD1-SD 4.44Å; L584-M671 HydrophobicContact CD2-CB 4Å; L584-M671 HydrophobicContact CD2-CE 4.33Å; L584-M671 HydrophobicContact CD2-CG 4.38Å; L584-M671 HydrophobicContact CD2-SD 3.66Å; L584-W673 VanDerWaalsContact O-CE2 3.31Å; L584-W673 WeakPolarHBondContact O-CZ2 3.49Å; L584-W673 PolarHBondContact O-NE1 2.78Å; L584-L771 HydrophobicContact CD1-CB 4.12Å; L584-R772 HydrophobicContact CD1-CG 4.47Å; L584-A775 HydrophobicContact CB-CB 3.46Å; L584-A775 VanDerWaalsContact CB-CB 3.46Å; L584-A775 HydrophobicContact CD1-CB 4.44Å
585S80.2Confident82.2Confident14 Ų1435.3 Ų35.310%0.09819%0.188CC..  trans-67.8141.1168.388.60000109.7C581 V582 D587 C588 W673 N779C581-S585 PolarHBondContact O-N 2.91Å; V582-S585 PolarHBondContact O-N 3.33Å; V582-S585 VanDerWaalsContact O-N 3.15Å; V582-S585 PolarHBondContact O-OG 3.05Å; S585-D587 VanDerWaalsContact C-N 3.26Å; S585-C588 WeakPolarHBondContact O-CB 3.36Å; S585-C588 PolarHBondContact O-N 3.46Å; S585-C588 VanDerWaalsContact OG-CB 3.29Å; S585-C588 WeakPolarHBondContact OG-CB 3.41Å; S585-C588 PolarHBondContact OG-N 3.15Å; S585-C588 VanDerWaalsContact OG-N 3.12Å; S585-W673 PolarHBondContact O-NE1 2.99Å; S585-N779 VanDerWaalsContact CB-CG 3.41Å; S585-N779 VanDerWaalsContact CB-ND2 3.34Å; S585-N779 WeakPolarHBondContact CB-ND2 3.34Å; S585-N779 WeakPolarHBondContact CB-OD1 3.13Å
586P73.9Confident82.2Confident48 Ų4837.4 Ų37.431%0.31220%0.196SC..THydrogen-bonded Turntrans-68.5-28.1176.228.6-34.4000112C588 Y781P586-C588 PolarHBondContact O-N 2.89Å; P586-Y781 HydrophobicContact CG-CD2 3.9Å; P586-Y781 HydrophobicContact CG-CE1 4.07Å; P586-Y781 HydrophobicContact CG-CE2 3.25Å; P586-Y781 WeakPolarHBondContact CG-OH 3.19Å
587D73.8Confident82.2Confident80 Ų8039.9 Ų39.943%0.42821%0.205SC..THydrogen-bonded Turntrans-76.5-5175.1-35.8-108.4000113.2R479 S585 S589 Y781R479-D587 WeakPolarHBondContact CD-OD1 3.33Å; R479-D587 IonicContact CZ-OD1 3.98Å; R479-D587 IonicContact NE-OD1 3.78Å; R479-D587 IonicContact NE-OD2 3.89Å; R479-D587 IonicContact NH1-OD1 2.79Å; R479-D587 PolarHBondContact NH1-OD1 3.46Å; R479-D587 IonicContact NH1-OD2 3.37Å; S585-D587 VanDerWaalsContact C-N 3.26Å; D587-S589 PolarHBondContact O-N 3.31Å; D587-Y781 PolarHBondContact OD1-OH 2.89Å; D587-Y781 WeakPolarHBondContact OD2-CE2 3.35Å; D587-Y781 PolarHBondContact OD2-OH 3.48Å
588C79.4Confident82.5Confident18 Ų1847.6 Ų47.612%0.12224%0.235CC..  trans-78.4102.2179.8-171.40000111.2S585 P586 K593S585-C588 WeakPolarHBondContact O-CB 3.36Å; S585-C588 PolarHBondContact O-N 3.46Å; S585-C588 VanDerWaalsContact OG-CB 3.29Å; S585-C588 WeakPolarHBondContact OG-CB 3.41Å; S585-C588 PolarHBondContact OG-N 3.15Å; S585-C588 VanDerWaalsContact OG-N 3.12Å; P586-C588 PolarHBondContact O-N 2.89Å; C588-K593 HydrophobicContact CB-CG 4.39Å; C588-K593 WeakPolarHBondContact O-CE 3.37Å; C588-K593 VanDerWaalsContact SG-CG 3.54Å
589S78.9Confident82.4Confident70 Ų7052.6 Ų52.649%0.4925%0.253SS..  trans-54.9153.4176.973.50000112.9D587 E591 A592 K593D587-S589 PolarHBondContact O-N 3.31Å; S589-E591 PolarHBondContact O-N 3.32Å; S589-A592 PolarHBondContact O-N 3.47Å; S589-A592 VanDerWaalsContact O-N 3.09Å; S589-A592 WeakPolarHBondContact OG-CB 3.37Å; S589-A592 PolarHBondContact OG-N 3.15Å; S589-A592 VanDerWaalsContact OG-N 3.15Å; S589-K593 PolarHBondContact O-N 3.11Å
590V75.9Confident82.4Confident100 Ų10052.6 Ų52.661%0.60625%0.253SS*.Hα-helixtrans-56.1-37.7178.8-179.40000111.4K593 R594V590-K593 WeakPolarHBondContact O-CB 3.23Å; V590-K593 PolarHBondContact O-N 3.22Å; V590-R594 WeakPolarHBondContact O-CG 3.39Å; V590-R594 PolarHBondContact O-N 3.38Å
591E78.6Confident82.4Confident96 Ų9655.8 Ų55.845%0.44927%0.27SS..Hα-helixtrans-71.1-40.6177.4-178.547.7-146.700112.3S589 K593 R594 Q595S589-E591 PolarHBondContact O-N 3.32Å; E591-K593 VanDerWaalsContact C-N 3.29Å; E591-K593 PolarHBondContact O-N 2.68Å; E591-R594 WeakPolarHBondContact O-CB 3.38Å; E591-R594 PolarHBondContact O-N 3.37Å; E591-R594 VanDerWaalsContact O-N 3.11Å; E591-R594 WeakPolarHBondContact OE2-CD 3.39Å; E591-Q595 WeakPolarHBondContact O-CG 3.4Å; E591-Q595 PolarHBondContact O-N 2.88Å; E591-Q595 WeakPolarHBondContact OE1-CG 3.43Å; E591-Q595 PolarHBondContact OE1-NE2 3.26Å
592A80Confident82.4Confident24 Ų2458.8 Ų58.820%0.19829%0.289CS..Hα-helixtrans-60-40.5170.100000111.3S589 R594 Q595 W596S589-A592 PolarHBondContact O-N 3.47Å; S589-A592 VanDerWaalsContact O-N 3.09Å; S589-A592 WeakPolarHBondContact OG-CB 3.37Å; S589-A592 PolarHBondContact OG-N 3.15Å; S589-A592 VanDerWaalsContact OG-N 3.15Å; A592-R594 PolarHBondContact O-N 3.09Å; A592-Q595 PolarHBondContact O-N 3.13Å; A592-W596 PolarHBondContact O-N 3.18Å
593K83.3Confident82.5Confident15 Ų1559.7 Ų59.77%0.06529%0.292CS..Hα-helixtrans-60.9-41.5172.8-67.1-176.7180-176.60111.8V583 C588 S589 V590 E591 W596 R597 M671V583-K593 VanDerWaalsContact O-CE 3.26Å; V583-K593 WeakPolarHBondContact O-CE 3.43Å; C588-K593 HydrophobicContact CB-CG 4.39Å; C588-K593 WeakPolarHBondContact O-CE 3.37Å; C588-K593 VanDerWaalsContact SG-CG 3.54Å; S589-K593 PolarHBondContact O-N 3.11Å; V590-K593 WeakPolarHBondContact O-CB 3.23Å; V590-K593 PolarHBondContact O-N 3.22Å; E591-K593 VanDerWaalsContact C-N 3.29Å; E591-K593 PolarHBondContact O-N 2.68Å; K593-W596 PolarHBondContact O-N 3Å; K593-R597 VanDerWaalsContact O-CG 3.3Å; K593-R597 WeakPolarHBondContact O-CG 3.34Å; K593-R597 PolarHBondContact O-N 3.49Å; K593-M671 PolarHBondContact NZ-O 2.79Å
594R82.3Confident82.5Confident150 Ų15060.4 Ų60.457%0.56630%0.297SS*.Hα-helixtrans-61.4-44174.5-74175.2172.6-141.3-3.4112V590 E591 A592 R597 Y598V590-R594 WeakPolarHBondContact O-CG 3.39Å; V590-R594 PolarHBondContact O-N 3.38Å; E591-R594 WeakPolarHBondContact O-CB 3.38Å; E591-R594 PolarHBondContact O-N 3.37Å; E591-R594 VanDerWaalsContact O-N 3.11Å; E591-R594 WeakPolarHBondContact OE2-CD 3.39Å; A592-R594 PolarHBondContact O-N 3.09Å; R594-R597 WeakPolarHBondContact O-CB 3.38Å; R594-R597 PolarHBondContact O-N 3Å; R594-Y598 PolarHBondContact O-N 2.78Å; R594-Y598 VanDerWaalsContact O-N 3.14Å
595Q84.2Confident82.4Confident111 Ų11169.5 Ų69.552%0.51933%0.332SS..Hα-helixtrans-66.6-41.6177.4-67.1173.316.700112.3E591 A592 Y598 R599E591-Q595 WeakPolarHBondContact O-CG 3.4Å; E591-Q595 PolarHBondContact O-N 2.88Å; E591-Q595 WeakPolarHBondContact OE1-CG 3.43Å; E591-Q595 PolarHBondContact OE1-NE2 3.26Å; A592-Q595 PolarHBondContact O-N 3.13Å; Q595-Y598 PolarHBondContact O-N 3Å; Q595-R599 PolarHBondContact O-N 3.38Å
596W87Confident82.4Confident44 Ų4470.5 Ų70.517%0.16734%0.341CS..Hα-helixtrans-65.4-40.6173.9-66.8126.2000112.2P484 W579 V583 A592 K593 Y598 R599 F600P484-W596 HydrophobicContact CB-CH2 4.07Å; P484-W596 HydrophobicContact CB-CZ2 3.63Å; W579-W596 HydrophobicContact CE3-CE3 4.47Å; W579-W596 AromaticContact CH2-CE3 3.95Å; W579-W596 HydrophobicContact CH2-CE3 3.95Å; W579-W596 AromaticContact CH2-CH2 3.9Å; W579-W596 HydrophobicContact CH2-CH2 3.9Å; W579-W596 AromaticContact CH2-CZ3 3.45Å; W579-W596 HydrophobicContact CH2-CZ3 3.45Å; W579-W596 VanDerWaalsContact CH2-CZ3 3.45Å; W579-W596 HydrophobicContact CZ3-CD2 4.05Å; W579-W596 AromaticContact CZ3-CE3 3.6Å; W579-W596 HydrophobicContact CZ3-CE3 3.6Å; W579-W596 AromaticContact CZ3-CH2 3.91Å; W579-W596 HydrophobicContact CZ3-CH2 3.91Å; W579-W596 HydrophobicContact CZ3-CZ2 4.31Å; W579-W596 AromaticContact CZ3-CZ3 3.53Å; W579-W596 HydrophobicContact CZ3-CZ3 3.53Å; V583-W596 HydrophobicContact CG2-CB 4.46Å; A592-W596 PolarHBondContact O-N 3.18Å; K593-W596 PolarHBondContact O-N 3Å; W596-Y598 VanDerWaalsContact C-N 3.32Å; W596-Y598 PolarHBondContact O-N 3.12Å; W596-R599 HydrophobicContact CE3-CB 4.47Å; W596-R599 PolarHBondContact O-N 3.44Å; W596-F600 HydrophobicContact CB-CD2 4.41Å; W596-F600 HydrophobicContact CB-CE2 3.7Å; W596-F600 HydrophobicContact CB-CZ 3.98Å; W596-F600 WeakPolarHBondContact O-CD2 3.43Å; W596-F600 VanDerWaalsContact O-CG 3.24Å; W596-F600 WeakPolarHBondContact O-CG 3.45Å; W596-F600 PolarHBondContact O-N 3.02Å
597R86.9Confident82.1Confident53 Ų5374.9 Ų74.920%0.236%0.362CS..Hα-helixtrans-50.9-50.7170.8-78.5171.6-161.4171.88.9111.5K593 R594 F600 L601 S669K593-R597 VanDerWaalsContact O-CG 3.3Å; K593-R597 WeakPolarHBondContact O-CG 3.34Å; K593-R597 PolarHBondContact O-N 3.49Å; R594-R597 WeakPolarHBondContact O-CB 3.38Å; R594-R597 PolarHBondContact O-N 3Å; R597-F600 PolarHBondContact O-N 3.49Å; R597-L601 WeakPolarHBondContact O-CB 3.43Å; R597-L601 VanDerWaalsContact O-CG 3.3Å; R597-L601 WeakPolarHBondContact O-CG 3.35Å; R597-L601 PolarHBondContact O-N 2.93Å; R597-S669 WeakPolarHBondContact CG-OG 3.29Å; R597-S669 PolarHBondContact NE-O 3.42Å; R597-S669 PolarHBondContact NE-OG 3.23Å; R597-S669 PolarHBondContact NH2-O 3.44Å
598Y86.6Confident81.9Confident171 Ų17175.9 Ų75.967%0.67136%0.359SS*.Hα-helixtrans-61.6-44.5179.6-176.2-88.4000112.3R594 Q595 W596 L601 T602R594-Y598 PolarHBondContact O-N 2.78Å; R594-Y598 VanDerWaalsContact O-N 3.14Å; Q595-Y598 PolarHBondContact O-N 3Å; W596-Y598 VanDerWaalsContact C-N 3.32Å; W596-Y598 PolarHBondContact O-N 3.12Å; Y598-L601 PolarHBondContact O-N 3.28Å; Y598-T602 WeakPolarHBondContact O-CB 3.37Å; Y598-T602 PolarHBondContact O-N 3.18Å; Y598-T602 PolarHBondContact O-OG1 3.16Å
599R85.9Confident81.9Confident104 Ų10475.4 Ų75.439%0.39236%0.356SS..Hα-helixtrans-60.8-45.3174.3-80.7-176.6162.8-102.9-4.3112.3S488 E492 Q595 W596 T602 W603S488-R599 PolarHBondContact OG-NH1 3.41Å; E492-R599 IonicContact OE1-CZ 3.3Å; E492-R599 IonicContact OE1-NH1 3.6Å; E492-R599 PolarHBondContact OE1-NH1 3.34Å; Q595-R599 PolarHBondContact O-N 3.38Å; W596-R599 HydrophobicContact CE3-CB 4.47Å; W596-R599 PolarHBondContact O-N 3.44Å; R599-T602 WeakPolarHBondContact O-CB 3.45Å; R599-T602 PolarHBondContact O-N 3.16Å; R599-W603 HydrophobicContact CB-CH2 4.46Å; R599-W603 PolarHBondContact O-N 2.99Å
600F89.5Confident81.6Confident0 Ų072.2 Ų72.20%033%0.334CS..Hα-helixtrans-65.7-40177.6-59.1-43.6000113.3W579 V583 W596 R597 T602 W603 A604 F662 P665 I666W579-F600 HydrophobicContact CB-CE1 3.87Å; W579-F600 HydrophobicContact CB-CZ 4Å; W579-F600 AromaticContact CD2-CE1 3.51Å; W579-F600 HydrophobicContact CD2-CE1 3.51Å; W579-F600 AromaticContact CD2-CZ 3.95Å; W579-F600 HydrophobicContact CD2-CZ 3.95Å; W579-F600 AromaticContact CE3-CE1 3.67Å; W579-F600 HydrophobicContact CE3-CE1 3.67Å; W579-F600 AromaticContact CE3-CZ 3.68Å; W579-F600 HydrophobicContact CE3-CZ 3.68Å; W579-F600 AromaticContact CG-CE1 3.6Å; W579-F600 HydrophobicContact CG-CE1 3.6Å; W579-F600 HydrophobicContact CG-CZ 4.11Å; W579-F600 HydrophobicContact CZ3-CE1 4.44Å; W579-F600 HydrophobicContact CZ3-CZ 4.48Å; V583-F600 HydrophobicContact CG2-CE2 3.39Å; V583-F600 HydrophobicContact CG2-CZ 3.52Å; W596-F600 HydrophobicContact CB-CD2 4.41Å; W596-F600 HydrophobicContact CB-CE2 3.7Å; W596-F600 HydrophobicContact CB-CZ 3.98Å; W596-F600 WeakPolarHBondContact O-CD2 3.43Å; W596-F600 VanDerWaalsContact O-CG 3.24Å; W596-F600 WeakPolarHBondContact O-CG 3.45Å; W596-F600 PolarHBondContact O-N 3.02Å; R597-F600 PolarHBondContact O-N 3.49Å; F600-T602 VanDerWaalsContact C-N 3.25Å; F600-T602 PolarHBondContact O-N 3.32Å; F600-W603 AromaticContact CD1-CE3 3.87Å; F600-W603 HydrophobicContact CD1-CE3 3.87Å; F600-W603 AromaticContact CD1-CZ3 3.98Å; F600-W603 HydrophobicContact CD1-CZ3 3.98Å; F600-W603 HydrophobicContact CE1-CE3 4.32Å; F600-W603 AromaticContact CE1-CZ3 3.97Å; F600-W603 HydrophobicContact CE1-CZ3 3.97Å; F600-W603 PolarHBondContact O-N 3.47Å; F600-A604 WeakPolarHBondContact O-CB 3.18Å; F600-A604 PolarHBondContact O-N 3.36Å; F600-F662 HydrophobicContact CB-CB 4.28Å; F600-F662 AromaticContact CD1-CD1 3.97Å; F600-F662 HydrophobicContact CD1-CD1 3.97Å; F600-P665 HydrophobicContact CD1-CB 4.32Å; F600-P665 HydrophobicContact CD2-CB 4.09Å; F600-P665 HydrophobicContact CE1-CB 4.16Å; F600-P665 HydrophobicContact CE2-CB 3.92Å; F600-P665 HydrophobicContact CG-CB 4.32Å; F600-P665 HydrophobicContact CZ-CB 3.96Å; F600-I666 HydrophobicContact CB-CD1 3.93Å; F600-I666 HydrophobicContact CB-CG1 3.47Å; F600-I666 VanDerWaalsContact CB-CG1 3.47Å; F600-I666 HydrophobicContact CD2-CG1 4.28Å; F600-I666 HydrophobicContact CG-CG1 4.24Å
601L85.8Confident81.3Confident68 Ų6872.8 Ų72.836%0.35633%0.325SS..Hα-helixtrans-61.8-38.1175.1-73.7167.7000110.9R597 Y598 R605 I666R597-L601 WeakPolarHBondContact O-CB 3.43Å; R597-L601 VanDerWaalsContact O-CG 3.3Å; R597-L601 WeakPolarHBondContact O-CG 3.35Å; R597-L601 PolarHBondContact O-N 2.93Å; Y598-L601 PolarHBondContact O-N 3.28Å; L601-R605 WeakPolarHBondContact O-CD 3.49Å; L601-R605 WeakPolarHBondContact O-CG 3.39Å; L601-R605 PolarHBondContact O-N 2.97Å; L601-I666 HydrophobicContact CD2-CD1 4.16Å
602T85.7Confident80.7Confident65 Ų6569 Ų6940%0.39931%0.308SS..Hα-helixtrans-67.5-50.8175-57.60000111.6Y598 R599 F600 A604 R605 A606Y598-T602 WeakPolarHBondContact O-CB 3.37Å; Y598-T602 PolarHBondContact O-N 3.18Å; Y598-T602 PolarHBondContact O-OG1 3.16Å; R599-T602 WeakPolarHBondContact O-CB 3.45Å; R599-T602 PolarHBondContact O-N 3.16Å; F600-T602 VanDerWaalsContact C-N 3.25Å; F600-T602 PolarHBondContact O-N 3.32Å; T602-A604 PolarHBondContact O-N 3.04Å; T602-R605 WeakPolarHBondContact O-CB 3.4Å; T602-R605 PolarHBondContact O-N 3.45Å; T602-R605 VanDerWaalsContact O-N 3.1Å; T602-A606 PolarHBondContact O-N 2.99Å
603W88.2Confident79.6Confident23 Ų2369.3 Ų69.39%0.08731%0.305CS..Hα-helixtrans-63.4-37.3177.2-66.8-24.3000113S488 T491 E492 L495 W579 R599 F600 R605 A606 C609 F662S488-W603 WeakPolarHBondContact OG-CH2 3.4Å; S488-W603 WeakPolarHBondContact OG-CZ2 3.43Å; T491-W603 HydrophobicContact CG2-CD2 4.01Å; T491-W603 HydrophobicContact CG2-CE3 3.73Å; T491-W603 HydrophobicContact CG2-CH2 4.2Å; T491-W603 HydrophobicContact CG2-CZ2 4.41Å; T491-W603 HydrophobicContact CG2-CZ3 3.86Å; E492-W603 HydrophobicContact CG-CZ2 3.97Å; L495-W603 HydrophobicContact CD1-CB 3.82Å; L495-W603 HydrophobicContact CD1-CD2 4.43Å; L495-W603 HydrophobicContact CD1-CG 3.68Å; W579-W603 HydrophobicContact CD2-CZ3 4.38Å; W579-W603 AromaticContact CE2-CZ3 3.61Å; W579-W603 AromaticContact CH2-CH2 3.92Å; W579-W603 HydrophobicContact CH2-CH2 3.92Å; W579-W603 HydrophobicContact CH2-CZ3 4.12Å; W579-W603 AromaticContact CZ2-CH2 3.45Å; W579-W603 HydrophobicContact CZ2-CH2 3.45Å; W579-W603 VanDerWaalsContact CZ2-CH2 3.45Å; W579-W603 AromaticContact CZ2-CZ3 3.47Å; W579-W603 HydrophobicContact CZ2-CZ3 3.47Å; W579-W603 VanDerWaalsContact CZ2-CZ3 3.47Å; W579-W603 AromaticContact NE1-CZ3 3.86Å; R599-W603 HydrophobicContact CB-CH2 4.46Å; R599-W603 PolarHBondContact O-N 2.99Å; F600-W603 AromaticContact CD1-CE3 3.87Å; F600-W603 HydrophobicContact CD1-CE3 3.87Å; F600-W603 AromaticContact CD1-CZ3 3.98Å; F600-W603 HydrophobicContact CD1-CZ3 3.98Å; F600-W603 HydrophobicContact CE1-CE3 4.32Å; F600-W603 AromaticContact CE1-CZ3 3.97Å; F600-W603 HydrophobicContact CE1-CZ3 3.97Å; F600-W603 PolarHBondContact O-N 3.47Å; W603-R605 PolarHBondContact O-N 2.94Å; W603-A606 VanDerWaalsContact O-CB 3.29Å; W603-A606 WeakPolarHBondContact O-CB 3.36Å; W603-A606 PolarHBondContact O-N 3.4Å; W603-A606 VanDerWaalsContact O-N 3.14Å; W603-C609 WeakPolarHBondContact O-CB 3.07Å; W603-F662 HydrophobicContact CB-CD2 3.95Å; W603-F662 HydrophobicContact CB-CE2 3.62Å; W603-F662 HydrophobicContact CB-CZ 3.97Å; W603-F662 HydrophobicContact CE3-CD1 4.36Å; W603-F662 AromaticContact CE3-CE1 3.88Å; W603-F662 HydrophobicContact CE3-CE1 3.88Å; W603-F662 HydrophobicContact CE3-CZ 4.17Å
604A84.6Confident78.4Confident15 Ų1569 Ų6912%0.12431%0.306CS..Hα-helixtrans-65.1-26.5174.500000113F600 T602 R611 S660 F662 I666F600-A604 WeakPolarHBondContact O-CB 3.18Å; F600-A604 PolarHBondContact O-N 3.36Å; T602-A604 PolarHBondContact O-N 3.04Å; A604-R611 PolarHBondContact O-NH2 3.35Å; A604-S660 WeakPolarHBondContact CB-OG 3.47Å; A604-F662 HydrophobicContact CB-CB 4.45Å; A604-F662 HydrophobicContact CB-CD2 4.46Å; A604-I666 HydrophobicContact CB-CD1 4.4Å
605R78.9Confident77.7Confident190 Ų19062.4 Ų62.472%0.71728%0.281SS*.Hα-helixtrans-79.1-21.6173.9-72.3166.5-176.1-170.61.7112.9L601 T602 W603L601-R605 WeakPolarHBondContact O-CD 3.49Å; L601-R605 WeakPolarHBondContact O-CG 3.39Å; L601-R605 PolarHBondContact O-N 2.97Å; T602-R605 WeakPolarHBondContact O-CB 3.4Å; T602-R605 PolarHBondContact O-N 3.45Å; T602-R605 VanDerWaalsContact O-N 3.1Å; W603-R605 PolarHBondContact O-N 2.94Å
606A80.8Confident76.7Confident35 Ų3557.7 Ų57.729%0.28926%0.26SS..SBendtrans-60.2135.8-177.600000113.1L495 T602 W603 R608 C609L495-A606 HydrophobicContact CD2-CB 4.47Å; T602-A606 PolarHBondContact O-N 2.99Å; W603-A606 VanDerWaalsContact O-CB 3.29Å; W603-A606 WeakPolarHBondContact O-CB 3.36Å; W603-A606 PolarHBondContact O-N 3.4Å; W603-A606 VanDerWaalsContact O-N 3.14Å; A606-R608 PolarHBondContact O-N 3.04Å; A606-C609 VanDerWaalsContact O-CB 3.3Å; A606-C609 WeakPolarHBondContact O-CB 3.46Å; A606-C609 PolarHBondContact O-N 3.39Å
607N67.6Low75.5Confident141 Ų14157 Ų5775%0.75426%0.259SS*.THydrogen-bonded Turntrans-61.9-11.3-174.6-79-53.8000115.4
608R70.7Confident74.1Confident100 Ų10055.5 Ų55.538%0.37726%0.256SS..THydrogen-bonded Turntrans-109-3.1178.3-67.8174.4-179.4173.95.4113.9L495 N496 C497 V502 A606L495-R608 WeakPolarHBondContact O-CD 3.33Å; L495-R608 PolarHBondContact O-NH1 2.88Å; N496-R608 PolarHBondContact O-NH1 3.09Å; C497-R608 VanDerWaalsContact C-NH1 3.33Å; C497-R608 PolarHBondContact O-NH1 3.35Å; V502-R608 HydrophobicContact CG1-CG 4.47Å; V502-R608 HydrophobicContact CG2-CG 4.22Å; A606-R608 PolarHBondContact O-N 3.04Å
609C78.9Confident72.2Confident9 Ų952 Ų526%0.06126%0.257CS..SBendtrans-60.3129.6175.11790000110.6L495 W603 A606 R611 S660L495-C609 HydrophobicContact CD2-CB 4.26Å; W603-C609 WeakPolarHBondContact O-CB 3.07Å; A606-C609 VanDerWaalsContact O-CB 3.3Å; A606-C609 WeakPolarHBondContact O-CB 3.46Å; A606-C609 PolarHBondContact O-N 3.39Å; C609-R611 PolarHBondContact O-N 2.92Å; C609-S660 PolarHBondContact SG-OG 3.2Å
610P72.8Confident70.6Confident3 Ų349.4 Ų49.42%0.01925%0.249CC..  trans-52.4130.8170.7-26.233.2000112I503 W572 Y615 V661I503-P610 HydrophobicContact CD1-CB 3.97Å; I503-P610 HydrophobicContact CD1-CG 4.31Å; W572-P610 HydrophobicContact CB-CG 4.29Å; W572-P610 HydrophobicContact CD2-CG 3.48Å; W572-P610 VanDerWaalsContact CD2-CG 3.48Å; W572-P610 VanDerWaalsContact CE2-CG 3.5Å; W572-P610 HydrophobicContact CE3-CG 4.12Å; W572-P610 HydrophobicContact CG-CG 3.53Å; W572-P610 HydrophobicContact CZ2-CG 4.16Å; P610-Y615 HydrophobicContact CB-CE2 3.77Å; P610-V661 HydrophobicContact CB-CB 4.26Å; P610-V661 HydrophobicContact CB-CG1 4.28Å; P610-V661 HydrophobicContact CG-CB 4.47Å; P610-V661 HydrophobicContact CG-CG1 4.12Å; P610-V661 PolarHBondContact O-N 2.93Å
611R69.4Low68.8Low111 Ų11150.7 Ų50.742%0.41926%0.255SS..EExtended strand (participates in β ladder)trans-132.6106.6169.9-64.7-172.7-173.8177.34.6110.1S505 A604 C609 R658 A659S505-R611 PolarHBondContact OG-O 3.4Å; A604-R611 PolarHBondContact O-NH2 3.35Å; C609-R611 PolarHBondContact O-N 2.92Å; R611-R658 HydrophobicContact CB-CB 4.39Å; R611-A659 VanDerWaalsContact CA-O 3.28Å; R611-A659 WeakPolarHBondContact CA-O 3.24Å
612D65.1Low67.3Low18 Ų1848.2 Ų48.210%0.09624%0.242CC..EExtended strand (participates in β ladder)trans-141.7159.9-171.4-159.2-58.5000109.4S614 Y615 A659 S1200D612-S614 VanDerWaalsContact C-N 3.3Å; D612-S614 PolarHBondContact OD1-N 3.35Å; D612-S614 PolarHBondContact OD1-OG 3.49Å; D612-Y615 HydrophobicContact CB-CD2 3.74Å; D612-Y615 HydrophobicContact CB-CE2 3.86Å; D612-A659 PolarHBondContact N-O 2.85Å; D612-A659 VanDerWaalsContact N-O 3.14Å; D612-A659 PolarHBondContact O-N 2.92Å; D612-S1200 WeakPolarHBondContact OD1-CB 3.14Å; D612-S1200 WeakPolarHBondContact OD2-CB 3.4Å; D612-S1200 PolarHBondContact OD2-OG 2.95Å
613E57.2Low65.4Low29 Ų2948.6 Ų48.614%0.13624%0.244CC..G310 helixtrans-77.3-18.6173.1-67141.2-145.300111.3Y615 S616 R658 G1197 S1198E613-Y615 PolarHBondContact O-N 3.04Å; E613-S616 VanDerWaalsContact O-CB 3.29Å; E613-S616 WeakPolarHBondContact O-CB 3.29Å; E613-S616 PolarHBondContact O-N 3.41Å; E613-S616 PolarHBondContact O-OG 3.37Å; E613-R658 HydrophobicContact CG-CG 4.19Å; E613-R658 IonicContact OE1-CZ 3.18Å; E613-R658 IonicContact OE1-NE 2.64Å; E613-R658 PolarHBondContact OE1-NE 3.03Å; E613-R658 IonicContact OE1-NH2 2.64Å; E613-R658 PolarHBondContact OE1-NH2 3.48Å; E613-G1197 WeakPolarHBondContact OE2-CA 3.16Å; E613-S1198 WeakPolarHBondContact CB-OG 3.17Å; E613-S1198 WeakPolarHBondContact OE2-CB 3.07Å; E613-S1198 PolarHBondContact OE2-OG 2.71Å
614S59.1Low63.3Low10 Ų1050.4 Ų50.47%0.0726%0.26CS..G310 helixtrans-60.9-24.9170.266.30000113.3D612D612-S614 VanDerWaalsContact C-N 3.3Å; D612-S614 PolarHBondContact OD1-N 3.35Å; D612-S614 PolarHBondContact OD1-OG 3.49Å
615Y66.6Low61.7Low10 Ų1051.2 Ų51.24%0.03926%0.262CS..G310 helixtrans-92.92.4174-52.2-62.5000113W572 P610 D612 E613 I617 A659 V661W572-Y615 WeakPolarHBondContact CB-OH 3.33Å; P610-Y615 HydrophobicContact CB-CE2 3.77Å; D612-Y615 HydrophobicContact CB-CD2 3.74Å; D612-Y615 HydrophobicContact CB-CE2 3.86Å; E613-Y615 PolarHBondContact O-N 3.04Å; Y615-I617 PolarHBondContact O-N 3.35Å; Y615-A659 WeakPolarHBondContact O-CB 3.36Å; Y615-V661 HydrophobicContact CD1-CB 4.23Å; Y615-V661 HydrophobicContact CD1-CG2 4.18Å; Y615-V661 HydrophobicContact CD2-CB 4.29Å; Y615-V661 HydrophobicContact CE1-CB 4.13Å; Y615-V661 HydrophobicContact CE1-CG2 3.83Å; Y615-V661 HydrophobicContact CE2-CB 4.19Å; Y615-V661 HydrophobicContact CG-CB 4.32Å
616S63.2Low60.1Low12 Ų1248.4 Ų48.48%0.08426%0.257CS..PPolyproline II helixtrans-74.2118.1177.868.50000111.4E613 R1201E613-S616 VanDerWaalsContact O-CB 3.29Å; E613-S616 WeakPolarHBondContact O-CB 3.29Å; E613-S616 PolarHBondContact O-N 3.41Å; E613-S616 PolarHBondContact O-OG 3.37Å; S616-R1201 PolarHBondContact OG-NH1 2.89Å
617I63.1Low57.9Low30 Ų3054.3 Ų54.315%0.15428%0.278CS..PPolyproline II helixtrans-84.3123.9169.1-53.9171.5000106.8Y615 S619 F621 L622 R663 L664 E667 P1134Y615-I617 PolarHBondContact O-N 3.35Å; I617-S619 PolarHBondContact O-N 3.18Å; I617-F621 HydrophobicContact CG2-CB 3.98Å; I617-F621 HydrophobicContact CG2-CD2 4.01Å; I617-L622 HydrophobicContact CB-CD1 4.12Å; I617-L622 HydrophobicContact CD1-CD1 4.42Å; I617-L622 HydrophobicContact CG2-CD1 4.01Å; I617-L622 HydrophobicContact CG2-CD2 4.22Å; I617-L622 HydrophobicContact CG2-CG 3.98Å; I617-R663 HydrophobicContact CD1-CG 4.35Å; I617-L664 HydrophobicContact CD1-CB 4.03Å; I617-L664 HydrophobicContact CD1-CD1 3.66Å; I617-L664 HydrophobicContact CD1-CG 4.48Å; I617-L664 HydrophobicContact CG1-CD1 4.47Å; I617-E667 HydrophobicContact CD1-CG 4.03Å; I617-P1134 HydrophobicContact CG1-CG 4.23Å
618P56Low56.4Low21 Ų2154.1 Ų54.114%0.13628%0.277CS..PPolyproline II helixtrans-52.4131.6170.1-28.635.6000111.7H620 F621 V1128P618-H620 PolarHBondContact O-N 3.46Å; P618-H620 VanDerWaalsContact O-N 3.11Å; P618-F621 HydrophobicContact CB-CD2 3.93Å; P618-F621 HydrophobicContact CB-CE2 4.02Å; P618-F621 HydrophobicContact CG-CD2 4Å; P618-F621 HydrophobicContact CG-CE2 3.76Å; P618-F621 PolarHBondContact O-N 2.85Å; P618-V1128 HydrophobicContact CG-CG1 4.29Å; P618-V1128 HydrophobicContact CG-CG2 3.84Å
619S48.2Very low54.6Low97 Ų9755.6 Ų55.668%0.67829%0.292SS*.G310 helixtrans-57-32.3-171.7460000113.8I617 F621 L622 T623I617-S619 PolarHBondContact O-N 3.18Å; S619-F621 PolarHBondContact O-N 3.1Å; S619-F621 VanDerWaalsContact O-N 3.13Å; S619-L622 PolarHBondContact O-N 3.42Å; S619-T623 PolarHBondContact O-N 3.03Å
620H50.8Low52.2Low51 Ų5163 Ų6324%0.23633%0.331CS..G310 helixtrans-65.4-9.917867.2-109.4000114.8P618 P1123P618-H620 PolarHBondContact O-N 3.46Å; P618-H620 VanDerWaalsContact O-N 3.11Å; H620-P1123 HydrophobicContact CB-CB 3.99Å; H620-P1123 HydrophobicContact CB-CG 4.27Å; H620-P1123 PolarHBondContact CE1-O 3.41Å; H620-P1123 VanDerWaalsContact CE1-O 3.27Å; H620-P1123 PolarHBondContact ND1-O 3.29Å
621F53.3Low50.3Low27 Ų2768.8 Ų68.812%0.11837%0.366CS..G310 helixtrans-89.2-3.3170.8-61.8-41.7000113.5I617 P618 S619 P765 P767 L1133I617-F621 HydrophobicContact CG2-CB 3.98Å; I617-F621 HydrophobicContact CG2-CD2 4.01Å; P618-F621 HydrophobicContact CB-CD2 3.93Å; P618-F621 HydrophobicContact CB-CE2 4.02Å; P618-F621 HydrophobicContact CG-CD2 4Å; P618-F621 HydrophobicContact CG-CE2 3.76Å; P618-F621 PolarHBondContact O-N 2.85Å; S619-F621 PolarHBondContact O-N 3.1Å; S619-F621 VanDerWaalsContact O-N 3.13Å; F621-P765 HydrophobicContact CB-CB 4.25Å; F621-P765 HydrophobicContact CB-CG 4.03Å; F621-P765 HydrophobicContact CD1-CB 3.47Å; F621-P765 VanDerWaalsContact CD1-CB 3.47Å; F621-P765 HydrophobicContact CD1-CG 4.21Å; F621-P765 HydrophobicContact CE1-CB 4.18Å; F621-P765 HydrophobicContact CG-CB 4.2Å; F621-P765 HydrophobicContact CG-CG 4.49Å; F621-P765 WeakPolarHBondContact O-CG 3.42Å; F621-P767 HydrophobicContact CD2-CG 4.39Å; F621-P767 HydrophobicContact CE1-CG 4.19Å; F621-P767 HydrophobicContact CE2-CG 3.97Å; F621-P767 HydrophobicContact CZ-CG 3.86Å; F621-L1133 HydrophobicContact CE2-CD2 4.43Å
622L53Low48.4Very low16 Ų1669.7 Ų69.78%0.08438%0.379CS..THydrogen-bonded Turntrans-123.3-12.1-171.9-59.8176.9000114.1I617 S619 S624 I625 E667I617-L622 HydrophobicContact CB-CD1 4.12Å; I617-L622 HydrophobicContact CD1-CD1 4.42Å; I617-L622 HydrophobicContact CG2-CD1 4.01Å; I617-L622 HydrophobicContact CG2-CD2 4.22Å; I617-L622 HydrophobicContact CG2-CG 3.98Å; S619-L622 PolarHBondContact O-N 3.42Å; L622-S624 VanDerWaalsContact C-N 3.3Å; L622-S624 PolarHBondContact O-N 3.43Å; L622-I625 HydrophobicContact CD2-CD1 3.95Å; L622-I625 PolarHBondContact O-N 3.24Å; L622-I625 VanDerWaalsContact O-N 3.09Å; L622-E667 HydrophobicContact CD1-CG 3.85Å; L622-E667 HydrophobicContact CD2-CB 3.79Å; L622-E667 HydrophobicContact CD2-CG 3.58Å; L622-E667 HydrophobicContact CG-CG 4.37Å
623T45.6Very low46.9Very low72 Ų7276.5 Ų76.544%0.44242%0.416SS..Hα-helixtrans-51.7-49.5179.4-36.70000111.6S619 I625 H626S619-T623 PolarHBondContact O-N 3.03Å; T623-I625 PolarHBondContact O-N 2.86Å; T623-I625 VanDerWaalsContact O-N 3.15Å; T623-H626 PolarHBondContact O-N 2.8Å; T623-H626 VanDerWaalsContact O-N 3.16Å
624S45.2Very low45.7Very low61 Ų6178 Ų7843%0.42742%0.424SS..Hα-helixtrans-66.6-14-177.8-44.90000115.2L622L622-S624 VanDerWaalsContact C-N 3.3Å; L622-S624 PolarHBondContact O-N 3.43Å
625I50Low44.5Very low32 Ų3280.6 Ų80.616%0.16444%0.44CS..Hα-helixtrans-88.4-28.3178.1-55.1-179.1000110.6L622 T623 L768L622-I625 HydrophobicContact CD2-CD1 3.95Å; L622-I625 PolarHBondContact O-N 3.24Å; L622-I625 VanDerWaalsContact O-N 3.09Å; T623-I625 PolarHBondContact O-N 2.86Å; T623-I625 VanDerWaalsContact O-N 3.15Å; I625-L768 HydrophobicContact CD1-CD2 3.97Å
626H44.9Very low42.7Very low132 Ų13285.1 Ų85.161%0.61147%0.47SS*.Hα-helixtrans-88.7-18.4-174.8-103.2-69.3000114.5T623 L628T623-H626 PolarHBondContact O-N 2.8Å; T623-H626 VanDerWaalsContact O-N 3.16Å; H626-L628 VanDerWaalsContact C-N 3.34Å; H626-L628 PolarHBondContact O-N 2.99Å
627E35.4Very low41Very low158 Ų15886.2 Ų86.274%0.73848%0.484SS*.SBendtrans-86.95.2-176.1-68.2177.7154.100114.3
628L35.1Very low39.5Very low138 Ų13888.9 Ų88.972%0.72350%0.495SS*.SBendtrans-123.71-166.5-110.6167.8000116.5H626H626-L628 VanDerWaalsContact C-N 3.34Å; H626-L628 PolarHBondContact O-N 2.99Å
629N33.3Very low38Very low130 Ų13092.9 Ų92.970%0.69552%0.516SS*.  trans-148.395176.4-75.4-90.2000111
630D29.2Very low37Very low165 Ų16594.7 Ų94.788%0.88251%0.513SS*.  trans-144.768.4173.3-137.90.8000109.4
631V32.8Very low35.8Very low124 Ų12498.4 Ų98.475%0.75253%0.531SS*.  trans-144.8146.7176.8-147.80000109.6
632D30.2Very low34.6Very low131 Ų131103 Ų10370%0.70156%0.562SS**  trans63.888.7167.7-53.1-34.8000119
633D33.8Very low33.3Very low161 Ų161108.3 Ų108.386%0.86159%0.586SS**SBend-168.160.1126.1-101.2-26.4000111.3V635D633-V635 PolarHBondContact O-N 3.37Å
634D31.6Very low32.4Very low59 Ų59112 Ų11232%0.31660%0.598SS.*  trans43.770.9139.1-69.85.4000122.9S1050 V1051D634-S1050 VanDerWaalsContact CB-OG 3.24Å; D634-S1050 WeakPolarHBondContact CB-OG 3.28Å; D634-S1050 WeakPolarHBondContact OD2-CB 3.42Å; D634-S1050 PolarHBondContact OD2-OG 3.25Å; D634-V1051 HydrophobicContact CB-CB 3.91Å; D634-V1051 WeakPolarHBondContact OD2-CG2 3.45Å
635V33Very low31.6Very low65 Ų65116.4 Ų116.439%0.39461%0.611SS.*  49.4113.9111.2175.80000118.9D633 V1051 G1052 C1053D633-V635 PolarHBondContact O-N 3.37Å; V635-V1051 HydrophobicContact CB-CB 4.05Å; V635-V1051 HydrophobicContact CB-CG1 3.86Å; V635-V1051 HydrophobicContact CG1-CB 4.34Å; V635-V1051 HydrophobicContact CG1-CG1 3.78Å; V635-V1051 HydrophobicContact CG2-CG1 4.32Å; V635-V1051 WeakPolarHBondContact O-CA 3.44Å; V635-G1052 PolarHBondContact O-N 2.74Å; V635-C1053 HydrophobicContact CG1-CB 3.87Å; V635-C1053 WeakPolarHBondContact CG1-SG 3.21Å
636P29.4Very low30.4Very low105 Ų105123 Ų12368%0.68264%0.642SS**  -148.2119.996.436.7-19.3000117.6
637G27.9Very low29.5Very low35 Ų35122.6 Ų122.636%0.36165%0.651SS.*  trans-153.3176.2163.800000111.4C1053 A1054G637-C1053 CarbonylContact O-C 3.5Å; G637-C1053 WeakPolarHBondContact O-CA 3.3Å; G637-C1053 WeakPolarHBondContact O-CB 3.45Å; G637-C1053 PolarHBondContact O-SG 3.34Å; G637-A1054 PolarHBondContact O-N 3.06Å
638Q30Very low28.9Very low86 Ų86120.5 Ų120.540%0.40265%0.653SS.*  trans-142138.4161.7-86.7-163.65700110.8C1053 A1054 N1055Q638-C1053 HydrophobicContact CG-CB 4.11Å; Q638-A1054 WeakPolarHBondContact CB-O 3.31Å; Q638-A1054 WeakPolarHBondContact CG-O 3.15Å; Q638-A1054 PolarHBondContact NE2-O 3.42Å; Q638-N1055 HydrophobicContact CB-CB 3.8Å; Q638-N1055 WeakPolarHBondContact CB-O 3.45Å; Q638-N1055 WeakPolarHBondContact O-CB 3.48Å; Q638-N1055 PolarHBondContact O-ND2 2.94Å
639N26.5Very low28.4Very low106 Ų106120.3 Ų120.357%0.56766%0.662SS**  20.9150.9116.8-65.6-9.1000120.1
640Q26.1Very low28Very low134 Ų134122.8 Ų122.863%0.62667%0.67SS**  cis-179.8149.2-29.9-120.9-177.978.500107.8
641Q24.7Very low27.8Very low129 Ų129124.5 Ų124.560%0.60367%0.672SS**  trans59.6142.9156.1-56.6-172.434.800117.5
642T30Very low27.5Very low125 Ų125123.4 Ų123.477%0.76767%0.67SS**  -132.71426230.20000111.9
643Q25.5Very low27.4Very low127 Ų127123.5 Ų123.559%0.59368%0.676SS**  64131.669.1-65.6-173.241.200112.4
644Q25.3Very low27.1Very low148 Ų148126.8 Ų126.869%0.69268%0.676SS**  cis-138167.54-87.7138.235.800108.3
645H28.7Very low27.1Very low154 Ų154129.5 Ų129.571%0.71370%0.697SS**  cis-150.7148.247.3-109.3-88000115.2
646Q24.4Very low27.4Very low171 Ų171130.8 Ų130.880%0.79971%0.708SS**  trans1.5157.4163.1-74.5169.2-30.400124.9
647P27.1Very low28.3Very low124 Ų124137 Ų13781%0.80572%0.718SS**  trans-108.6164.1-172.141.8-34000115.5
648S23.5Very low29.7Very low113 Ų113141.3 Ų141.379%0.7972%0.723SS**  trans-137.1103.4162.850.10000113.1Q650S648-Q650 PolarHBondContact O-N 3.36Å
649C23Very low31.5Very low134 Ų134138 Ų13891%0.90571%0.71SS**  trans23.979.5150.9-57.80000120
650Q25.1Very low34.1Very low183 Ų183133.7 Ų133.786%0.85569%0.688SS**  trans-132.1109149.1-71.1-164.61.600111.3S648 S652S648-Q650 PolarHBondContact O-N 3.36Å; Q650-S652 VanDerWaalsContact C-N 3.27Å; Q650-S652 PolarHBondContact O-N 3.45Å
651Q25.3Very low36.7Very low200 Ų200127.3 Ų127.394%0.93566%0.659SS**  trans-75.378.7172.6-73.9-176.5-16.800110.3T653Q651-T653 PolarHBondContact O-N 2.95Å
652S26.7Very low39.6Very low101 Ų101121.2 Ų121.271%0.70663%0.63SS**  trans-65.2119178.2-174.80000111.4Q650 R654Q650-S652 VanDerWaalsContact C-N 3.27Å; Q650-S652 PolarHBondContact O-N 3.45Å; S652-R654 VanDerWaalsContact C-N 3.34Å; S652-R654 PolarHBondContact O-N 3.5Å
653T27.8Very low42.1Very low133 Ų133119.7 Ų119.782%0.81661%0.61SS**  trans-6981178.238.60000111.6Q651 P655Q651-T653 PolarHBondContact O-N 2.95Å; T653-P655 WeakPolarHBondContact O-CD 3.45Å; T653-P655 VanDerWaalsContact O-N 3.16Å
654R27.2Very low44.6Very low230 Ų230114.1 Ų114.187%0.86859%0.585SS**PPolyproline II helixtrans-57.5118.3172.1-74.5-173.8172.7-175.3-0.8109.8S652S652-R654 VanDerWaalsContact C-N 3.34Å; S652-R654 PolarHBondContact O-N 3.5Å
655P31.2Very low47.4Very low117 Ų117107 Ų10776%0.7655%0.552SS**PPolyproline II helixtrans-66.9140-175.626.2-34.2000111.1T653 R657T653-P655 WeakPolarHBondContact O-CD 3.45Å; T653-P655 VanDerWaalsContact O-N 3.16Å; P655-R657 PolarHBondContact O-N 3.15Å; P655-R657 VanDerWaalsContact O-N 3.16Å
656C40.7Very low49.9Very low91 Ų91100.2 Ų100.262%0.61552%0.52SS*.PPolyproline II helixtrans-60118.3-177.6-168.40000110.7R658C656-R658 PolarHBondContact O-N 3.33Å
657R48.4Very low52.4Low236 Ų23692.2 Ų92.289%0.89148%0.483SS*.PPolyproline II helixtrans-69.1120176-72.4-173.7174.2-167.6-0.6109.2P655 A659P655-R657 PolarHBondContact O-N 3.15Å; P655-R657 VanDerWaalsContact O-N 3.16Å; R657-A659 PolarHBondContact O-N 3.32Å
658R56.2Low54.8Low125 Ų12586.3 Ų86.347%0.47245%0.445SS..PPolyproline II helixtrans-50124.7-179.1-61.4-166.1171.8137.910.2111.7S505 R611 E613 C656S505-R658 WeakPolarHBondContact OG-CD 3.3Å; S505-R658 PolarHBondContact OG-NH1 3.03Å; R611-R658 HydrophobicContact CB-CB 4.39Å; E613-R658 HydrophobicContact CG-CG 4.19Å; E613-R658 IonicContact OE1-CZ 3.18Å; E613-R658 IonicContact OE1-NE 2.64Å; E613-R658 PolarHBondContact OE1-NE 3.03Å; E613-R658 IonicContact OE1-NH2 2.64Å; E613-R658 PolarHBondContact OE1-NH2 3.48Å; C656-R658 PolarHBondContact O-N 3.33Å
659A68.3Low57.5Low16 Ų1681 Ų8113%0.13241%0.407CS..EExtended strand (participates in β ladder)trans-85.8149.6-17100000111.8R611 D612 Y615 R657 R663R611-A659 VanDerWaalsContact CA-O 3.28Å; R611-A659 WeakPolarHBondContact CA-O 3.24Å; D612-A659 PolarHBondContact N-O 2.85Å; D612-A659 VanDerWaalsContact N-O 3.14Å; D612-A659 PolarHBondContact O-N 2.92Å; Y615-A659 WeakPolarHBondContact O-CB 3.36Å; R657-A659 PolarHBondContact O-N 3.32Å; A659-R663 HydrophobicContact CB-CB 4.41Å
660S81.6Confident59.8Low16 Ų1679.3 Ų79.311%0.11238%0.382CS..EExtended strand (participates in β ladder)trans-70.5146.3170.4174.20000110.8A604 C609 F662 R663A604-S660 WeakPolarHBondContact CB-OG 3.47Å; C609-S660 PolarHBondContact SG-OG 3.2Å; S660-F662 PolarHBondContact O-N 3.24Å; S660-F662 VanDerWaalsContact O-N 3.16Å; S660-F662 PolarHBondContact OG-N 3.05Å; S660-F662 VanDerWaalsContact OG-N 3.08Å; S660-R663 VanDerWaalsContact O-CB 3.28Å; S660-R663 WeakPolarHBondContact O-CB 3.3Å; S660-R663 PolarHBondContact O-N 2.68Å
661V81Confident62Low1 Ų171.2 Ų71.21%0.00635%0.345CS..THydrogen-bonded Turntrans-52.7-31.4166.462.20000112.5W572 C576 P610 Y615 R663W572-V661 HydrophobicContact CB-CG2 4.17Å; W572-V661 HydrophobicContact CE3-CG1 4.1Å; W572-V661 HydrophobicContact CE3-CG2 4.46Å; W572-V661 HydrophobicContact CZ3-CG1 4.49Å; W572-V661 WeakPolarHBondContact O-CG2 3.33Å; C576-V661 HydrophobicContact CB-CG2 3.74Å; C576-V661 PolarHBondContact SG-O 3.43Å; P610-V661 HydrophobicContact CB-CB 4.26Å; P610-V661 HydrophobicContact CB-CG1 4.28Å; P610-V661 HydrophobicContact CG-CB 4.47Å; P610-V661 HydrophobicContact CG-CG1 4.12Å; P610-V661 PolarHBondContact O-N 2.93Å; Y615-V661 HydrophobicContact CD1-CB 4.23Å; Y615-V661 HydrophobicContact CD1-CG2 4.18Å; Y615-V661 HydrophobicContact CD2-CB 4.29Å; Y615-V661 HydrophobicContact CE1-CB 4.13Å; Y615-V661 HydrophobicContact CE1-CG2 3.83Å; Y615-V661 HydrophobicContact CE2-CB 4.19Å; Y615-V661 HydrophobicContact CG-CB 4.32Å; V661-R663 VanDerWaalsContact C-N 3.33Å; V661-R663 PolarHBondContact O-N 2.93Å
662F86Confident64Low0 Ų064.1 Ų64.10%032%0.317CS..THydrogen-bonded Turntrans-82.2-1.3177.5-56.1-72.3000114.2T491 W572 V575 W579 F600 W603 A604 S660 L664 P665 I666T491-F662 HydrophobicContact CG2-CE1 3.75Å; T491-F662 HydrophobicContact CG2-CZ 3.55Å; W572-F662 HydrophobicContact CZ3-CZ 4.13Å; V575-F662 HydrophobicContact CG1-CE1 4.2Å; W579-F662 AromaticContact CD1-CE1 4Å; F600-F662 HydrophobicContact CB-CB 4.28Å; F600-F662 AromaticContact CD1-CD1 3.97Å; F600-F662 HydrophobicContact CD1-CD1 3.97Å; W603-F662 HydrophobicContact CB-CD2 3.95Å; W603-F662 HydrophobicContact CB-CE2 3.62Å; W603-F662 HydrophobicContact CB-CZ 3.97Å; W603-F662 HydrophobicContact CE3-CD1 4.36Å; W603-F662 AromaticContact CE3-CE1 3.88Å; W603-F662 HydrophobicContact CE3-CE1 3.88Å; W603-F662 HydrophobicContact CE3-CZ 4.17Å; A604-F662 HydrophobicContact CB-CB 4.45Å; A604-F662 HydrophobicContact CB-CD2 4.46Å; S660-F662 PolarHBondContact O-N 3.24Å; S660-F662 VanDerWaalsContact O-N 3.16Å; S660-F662 PolarHBondContact OG-N 3.05Å; S660-F662 VanDerWaalsContact OG-N 3.08Å; F662-L664 VanDerWaalsContact C-N 3.32Å; F662-L664 PolarHBondContact O-N 2.73Å; F662-P665 WeakPolarHBondContact O-CD 3.34Å; F662-I666 HydrophobicContact CB-CD1 4.37Å; F662-I666 WeakPolarHBondContact O-CB 3.46Å; F662-I666 WeakPolarHBondContact O-CD1 3.26Å; F662-I666 VanDerWaalsContact O-CG1 3.23Å; F662-I666 WeakPolarHBondContact O-CG1 3.1Å; F662-I666 PolarHBondContact O-N 2.68Å
663R81.7Confident65.9Low93 Ų9360.5 Ų60.535%0.35129%0.288SS..Hα-helixtrans-59.3-43.5179.3-177.858.7170.91693.2110.9I617 A659 S660 V661 I666 E667I617-R663 HydrophobicContact CD1-CG 4.35Å; A659-R663 HydrophobicContact CB-CB 4.41Å; S660-R663 VanDerWaalsContact O-CB 3.28Å; S660-R663 WeakPolarHBondContact O-CB 3.3Å; S660-R663 PolarHBondContact O-N 2.68Å; V661-R663 VanDerWaalsContact C-N 3.33Å; V661-R663 PolarHBondContact O-N 2.93Å; R663-I666 PolarHBondContact O-N 2.91Å; R663-E667 WeakPolarHBondContact CD-OE1 3.34Å; R663-E667 HydrophobicContact CG-CG 4.48Å; R663-E667 IonicContact CZ-OE1 2.86Å; R663-E667 IonicContact CZ-OE2 2.76Å; R663-E667 IonicContact NE-OE1 2.68Å; R663-E667 PolarHBondContact NE-OE1 3.37Å; R663-E667 IonicContact NH1-OE1 3.9Å; R663-E667 PolarHBondContact NH1-OE1 3.14Å; R663-E667 IonicContact NH1-OE2 3.35Å; R663-E667 IonicContact NH2-OE1 3.17Å; R663-E667 PolarHBondContact NH2-OE1 2.9Å; R663-E667 IonicContact NH2-OE2 3.36Å; R663-E667 PolarHBondContact NH2-OE2 3.37Å; R663-E667 WeakPolarHBondContact O-CG 3.34Å; R663-E667 PolarHBondContact O-N 3.29Å
664L77.8Confident67.3Low10 Ų1060.9 Ų60.95%0.05229%0.285CS..Hα-helixtrans-65.1-47.4178.8-178.267.9000113.3I617 F662 I666 E667 A668 L771 P1134I617-L664 HydrophobicContact CD1-CB 4.03Å; I617-L664 HydrophobicContact CD1-CD1 3.66Å; I617-L664 HydrophobicContact CD1-CG 4.48Å; I617-L664 HydrophobicContact CG1-CD1 4.47Å; F662-L664 VanDerWaalsContact C-N 3.32Å; F662-L664 PolarHBondContact O-N 2.73Å; L664-I666 VanDerWaalsContact C-N 3.3Å; L664-I666 PolarHBondContact O-N 3.29Å; L664-E667 PolarHBondContact O-N 2.99Å; L664-A668 VanDerWaalsContact O-CB 3.25Å; L664-A668 WeakPolarHBondContact O-CB 3.28Å; L664-A668 PolarHBondContact O-N 2.88Å; L664-L771 HydrophobicContact CD1-CD1 3.8Å; L664-L771 HydrophobicContact CD2-CD1 3.81Å; L664-L771 HydrophobicContact CD2-CD2 4.47Å; L664-L771 HydrophobicContact CG-CD1 4.19Å; L664-P1134 HydrophobicContact CD2-CB 4.11Å; L664-P1134 HydrophobicContact CD2-CG 4.44Å
665P83Confident68.4Low0 Ų052.6 Ų52.60%026%0.258CS..Hα-helixtrans-54.7-37.8167.5-31.234.7000115.2W579 F600 F662 S669W579-P665 HydrophobicContact CB-CB 3.92Å; W579-P665 HydrophobicContact CB-CG 3.64Å; F600-P665 HydrophobicContact CD1-CB 4.32Å; F600-P665 HydrophobicContact CD2-CB 4.09Å; F600-P665 HydrophobicContact CE1-CB 4.16Å; F600-P665 HydrophobicContact CE2-CB 3.92Å; F600-P665 HydrophobicContact CG-CB 4.32Å; F600-P665 HydrophobicContact CZ-CB 3.96Å; F662-P665 WeakPolarHBondContact O-CD 3.34Å; P665-S669 WeakPolarHBondContact O-CB 3.03Å; P665-S669 PolarHBondContact O-N 3.32Å; P665-S669 VanDerWaalsContact O-N 3.12Å
666I82.7Confident69.2Low11 Ų1152 Ų526%0.05625%0.252CS..Hα-helixtrans-64.5-52.7176.3-69.8163.4000110.2F600 L601 A604 F662 R663 L664 A668 S669 Y670F600-I666 HydrophobicContact CB-CD1 3.93Å; F600-I666 HydrophobicContact CB-CG1 3.47Å; F600-I666 VanDerWaalsContact CB-CG1 3.47Å; F600-I666 HydrophobicContact CD2-CG1 4.28Å; F600-I666 HydrophobicContact CG-CG1 4.24Å; L601-I666 HydrophobicContact CD2-CD1 4.16Å; A604-I666 HydrophobicContact CB-CD1 4.4Å; F662-I666 HydrophobicContact CB-CD1 4.37Å; F662-I666 WeakPolarHBondContact O-CB 3.46Å; F662-I666 WeakPolarHBondContact O-CD1 3.26Å; F662-I666 VanDerWaalsContact O-CG1 3.23Å; F662-I666 WeakPolarHBondContact O-CG1 3.1Å; F662-I666 PolarHBondContact O-N 2.68Å; R663-I666 PolarHBondContact O-N 2.91Å; L664-I666 VanDerWaalsContact C-N 3.3Å; L664-I666 PolarHBondContact O-N 3.29Å; I666-A668 PolarHBondContact O-N 3.36Å; I666-S669 WeakPolarHBondContact O-CB 3.39Å; I666-S669 PolarHBondContact O-N 3.12Å; I666-S669 VanDerWaalsContact O-N 3.13Å; I666-S669 PolarHBondContact O-OG 3.4Å; I666-Y670 HydrophobicContact CG2-CE2 4.03Å; I666-Y670 WeakPolarHBondContact O-CD2 3.38Å
667E76.1Confident69.6Low3 Ų349.6 Ų49.61%0.01423%0.23CC..Hα-helixtrans-60.8-46178.9-57.1-45.8104.500111.9I617 L622 R663 L664 S669 Y670I617-E667 HydrophobicContact CD1-CG 4.03Å; L622-E667 HydrophobicContact CD1-CG 3.85Å; L622-E667 HydrophobicContact CD2-CB 3.79Å; L622-E667 HydrophobicContact CD2-CG 3.58Å; L622-E667 HydrophobicContact CG-CG 4.37Å; R663-E667 WeakPolarHBondContact CD-OE1 3.34Å; R663-E667 HydrophobicContact CG-CG 4.48Å; R663-E667 IonicContact CZ-OE1 2.86Å; R663-E667 IonicContact CZ-OE2 2.76Å; R663-E667 IonicContact NE-OE1 2.68Å; R663-E667 PolarHBondContact NE-OE1 3.37Å; R663-E667 IonicContact NH1-OE1 3.9Å; R663-E667 PolarHBondContact NH1-OE1 3.14Å; R663-E667 IonicContact NH1-OE2 3.35Å; R663-E667 IonicContact NH2-OE1 3.17Å; R663-E667 PolarHBondContact NH2-OE1 2.9Å; R663-E667 IonicContact NH2-OE2 3.36Å; R663-E667 PolarHBondContact NH2-OE2 3.37Å; R663-E667 WeakPolarHBondContact O-CG 3.34Å; R663-E667 PolarHBondContact O-N 3.29Å; L664-E667 PolarHBondContact O-N 2.99Å; E667-S669 PolarHBondContact O-N 2.92Å; E667-S669 VanDerWaalsContact O-N 3.11Å; E667-Y670 PolarHBondContact O-N 3.14Å; E667-Y670 VanDerWaalsContact O-N 3.07Å
668A78.7Confident69.4Low0 Ų040.5 Ų40.50%020%0.196CC..Hα-helixtrans-59.7-24.7178.600000113T580 V583 L584 L664 I666 Y670 M671T580-A668 HydrophobicContact CG2-CB 3.89Å; V583-A668 HydrophobicContact CG1-CB 4.36Å; L584-A668 HydrophobicContact CD1-CB 4.23Å; L584-A668 HydrophobicContact CD2-CB 4.14Å; L584-A668 WeakPolarHBondContact CD2-O 3.28Å; L584-A668 HydrophobicContact CG-CB 4.07Å; L664-A668 VanDerWaalsContact O-CB 3.25Å; L664-A668 WeakPolarHBondContact O-CB 3.28Å; L664-A668 PolarHBondContact O-N 2.88Å; I666-A668 PolarHBondContact O-N 3.36Å; A668-Y670 VanDerWaalsContact C-N 3.33Å; A668-Y670 PolarHBondContact O-N 3.01Å; A668-M671 HydrophobicContact CB-SD 4.31Å; A668-M671 WeakPolarHBondContact O-CB 3.26Å; A668-M671 WeakPolarHBondContact O-CG 3.46Å; A668-M671 PolarHBondContact O-N 2.69Å
669S79.7Confident68.9Low0 Ų040.1 Ų40.10%020%0.203CC..Hα-helixtrans-74.2-20.5178.378.90000114.5V583 R597 P665 I666 E667V583-S669 VanDerWaalsContact CG1-CB 3.43Å; R597-S669 WeakPolarHBondContact CG-OG 3.29Å; R597-S669 PolarHBondContact NE-O 3.42Å; R597-S669 PolarHBondContact NE-OG 3.23Å; R597-S669 PolarHBondContact NH2-O 3.44Å; P665-S669 WeakPolarHBondContact O-CB 3.03Å; P665-S669 PolarHBondContact O-N 3.32Å; P665-S669 VanDerWaalsContact O-N 3.12Å; I666-S669 WeakPolarHBondContact O-CB 3.39Å; I666-S669 PolarHBondContact O-N 3.12Å; I666-S669 VanDerWaalsContact O-N 3.13Å; I666-S669 PolarHBondContact O-OG 3.4Å; E667-S669 PolarHBondContact O-N 2.92Å; E667-S669 VanDerWaalsContact O-N 3.11Å
670Y71.7Confident67.7Low99 Ų9945.7 Ų45.739%0.38823%0.226SC..THydrogen-bonded Turntrans-78.9-10.6174.1-69-84.4000112.2I666 E667 A668I666-Y670 HydrophobicContact CG2-CE2 4.03Å; I666-Y670 WeakPolarHBondContact O-CD2 3.38Å; E667-Y670 PolarHBondContact O-N 3.14Å; E667-Y670 VanDerWaalsContact O-N 3.07Å; A668-Y670 VanDerWaalsContact C-N 3.33Å; A668-Y670 PolarHBondContact O-N 3.01Å
671M70.7Confident65.9Low14 Ų1446.3 Ų46.37%0.06923%0.228CC..  trans-75.5128.1175.7-53.7174.168.800111.6L584 K593 A668 E764 L768 R772L584-M671 HydrophobicContact CD1-SD 4.44Å; L584-M671 HydrophobicContact CD2-CB 4Å; L584-M671 HydrophobicContact CD2-CE 4.33Å; L584-M671 HydrophobicContact CD2-CG 4.38Å; L584-M671 HydrophobicContact CD2-SD 3.66Å; K593-M671 PolarHBondContact NZ-O 2.79Å; A668-M671 HydrophobicContact CB-SD 4.31Å; A668-M671 WeakPolarHBondContact O-CB 3.26Å; A668-M671 WeakPolarHBondContact O-CG 3.46Å; A668-M671 PolarHBondContact O-N 2.69Å; M671-E764 WeakPolarHBondContact CE-OE1 3.42Å; M671-L768 HydrophobicContact CE-CD1 4.33Å; M671-L768 HydrophobicContact CE-CD2 3.48Å; M671-L768 VanDerWaalsContact CE-CD2 3.48Å; M671-L768 HydrophobicContact CE-CG 3.51Å; M671-L768 HydrophobicContact CG-CD2 4.48Å; M671-L768 HydrophobicContact SD-CD1 3.7Å; M671-L768 HydrophobicContact SD-CD2 3.66Å; M671-L768 HydrophobicContact SD-CG 3.57Å; M671-L768 VanDerWaalsContact SD-CG 3.57Å; M671-R772 HydrophobicContact CE-CG 4.2Å
672S66.6Low63.7Low51 Ų5150 Ų5036%0.35725%0.254SS..  trans-78.8177.3160.654.50000111.1D674 R772S672-D674 WeakPolarHBondContact CB-OD2 3.34Å; S672-R772 PolarHBondContact O-NH2 3.36Å
673W67.1Low61.2Low24 Ų2455 Ų559%0.09128%0.28CS..SBendtrans-112.16.9161.7-77.5120.8000111.6L584 S585 D675 W678 R772 L776L584-W673 VanDerWaalsContact O-CE2 3.31Å; L584-W673 WeakPolarHBondContact O-CZ2 3.49Å; L584-W673 PolarHBondContact O-NE1 2.78Å; S585-W673 PolarHBondContact O-NE1 2.99Å; W673-D675 PolarHBondContact O-N 3.27Å; W673-W678 AromaticContact CD2-NE1 3.79Å; W673-W678 AromaticContact CE3-CD1 3.98Å; W673-W678 AromaticContact CE3-CE2 3.82Å; W673-W678 HydrophobicContact CE3-CZ2 4.08Å; W673-W678 AromaticContact CE3-NE1 3Å; W673-W678 AromaticContact CH2-CZ2 3.86Å; W673-W678 HydrophobicContact CH2-CZ2 3.86Å; W673-W678 AromaticContact CZ3-CE2 3.77Å; W673-W678 AromaticContact CZ3-CZ2 3.61Å; W673-W678 HydrophobicContact CZ3-CZ2 3.61Å; W673-W678 AromaticContact CZ3-NE1 3.3Å; W673-W678 VanDerWaalsContact CZ3-NE1 3.3Å; W673-R772 HydrophobicContact CE3-CG 4.34Å; W673-R772 HydrophobicContact CH2-CB 3.62Å; W673-R772 HydrophobicContact CH2-CG 3.53Å; W673-R772 HydrophobicContact CZ2-CG 4.33Å; W673-R772 HydrophobicContact CZ3-CB 3.88Å; W673-R772 VanDerWaalsContact CZ3-CD 3.42Å; W673-R772 HydrophobicContact CZ3-CG 3.5Å; W673-R772 VanDerWaalsContact CZ3-NE 3.34Å; W673-L776 HydrophobicContact CH2-CD1 4.1Å; W673-L776 HydrophobicContact CH2-CD2 4.11Å; W673-L776 HydrophobicContact CH2-CG 3.94Å; W673-L776 HydrophobicContact CZ2-CD2 4.14Å; W673-L776 HydrophobicContact CZ2-CG 4.26Å
674D56.7Low58.9Low142 Ų14258.4 Ų58.476%0.75930%0.299SS*.  trans-79.318.7-169.2-49.3-56.4000113.6S672 V676S672-D674 WeakPolarHBondContact CB-OD2 3.34Å; D674-V676 PolarHBondContact O-N 3.48Å
675D51Low56.5Low55 Ų5562.2 Ų62.229%0.29432%0.319SS..  trans-66.8127.6170.2-63.5-54.7000109.8W673 W677 W678 R772W673-D675 PolarHBondContact O-N 3.27Å; D675-W677 HydrophobicContact CB-CB 4.38Å; D675-W677 PolarHBondContact O-N 3.32Å; D675-W678 PolarHBondContact O-N 2.92Å; D675-R772 IonicContact OD2-CZ 3.66Å; D675-R772 IonicContact OD2-NH1 2.77Å; D675-R772 PolarHBondContact OD2-NH1 3.46Å; D675-R772 IonicContact OD2-NH2 3.79Å; D675-R772 PolarHBondContact OD2-NH2 2.72Å
676V47.6Very low54Low105 Ų10567.4 Ų67.464%0.63635%0.351SS*.THydrogen-bonded Turntrans-49-25-178.2-174.40000113.7D674 W678 N679 H680D674-V676 PolarHBondContact O-N 3.48Å; V676-W678 PolarHBondContact O-N 3.48Å; V676-N679 PolarHBondContact O-N 3.5Å; V676-H680 PolarHBondContact O-N 3.48Å
677W48.9Very low51.4Low41 Ų4176 Ų7616%0.15539%0.389CS..Hα-helixtrans-43.6-41168.5143.9-90.3000114.6D675 H680 L681 L762 L788D675-W677 HydrophobicContact CB-CB 4.38Å; D675-W677 PolarHBondContact O-N 3.32Å; W677-H680 PolarHBondContact O-N 3.37Å; W677-L681 HydrophobicContact CH2-CD1 3.75Å; W677-L681 HydrophobicContact CH2-CD2 4.11Å; W677-L681 HydrophobicContact CH2-CG 4.46Å; W677-L681 HydrophobicContact CZ2-CD1 4.17Å; W677-L681 HydrophobicContact CZ2-CD2 3.69Å; W677-L681 HydrophobicContact CZ2-CG 4.4Å; W677-L681 HydrophobicContact CZ3-CD1 4.13Å; W677-L681 PolarHBondContact O-N 3.09Å; W677-L762 HydrophobicContact CB-CD2 4Å; W677-L762 HydrophobicContact CD2-CD1 4.38Å; W677-L762 HydrophobicContact CD2-CD2 4.25Å; W677-L762 HydrophobicContact CE3-CD1 4.21Å; W677-L762 HydrophobicContact CG-CD2 3.9Å; W677-L788 HydrophobicContact CH2-CB 4.49Å; W677-L788 HydrophobicContact CH2-CD1 4.07Å; W677-L788 HydrophobicContact CZ2-CB 4.17Å; W677-L788 HydrophobicContact CZ2-CD1 3.75Å; W677-L788 HydrophobicContact CZ2-CG 4.44Å
678W45.4Very low49Very low45 Ų4583.2 Ų83.217%0.1743%0.426CS..Hα-helixtrans-69.3-38.2-174-89.8110000113.7W673 D675 V676 H680 L681 S682 L776 Q784W673-W678 AromaticContact CD2-NE1 3.79Å; W673-W678 AromaticContact CE3-CD1 3.98Å; W673-W678 AromaticContact CE3-CE2 3.82Å; W673-W678 HydrophobicContact CE3-CZ2 4.08Å; W673-W678 AromaticContact CE3-NE1 3Å; W673-W678 AromaticContact CH2-CZ2 3.86Å; W673-W678 HydrophobicContact CH2-CZ2 3.86Å; W673-W678 AromaticContact CZ3-CE2 3.77Å; W673-W678 AromaticContact CZ3-CZ2 3.61Å; W673-W678 HydrophobicContact CZ3-CZ2 3.61Å; W673-W678 AromaticContact CZ3-NE1 3.3Å; W673-W678 VanDerWaalsContact CZ3-NE1 3.3Å; D675-W678 PolarHBondContact O-N 2.92Å; V676-W678 PolarHBondContact O-N 3.48Å; W678-H680 VanDerWaalsContact C-N 3.31Å; W678-H680 PolarHBondContact O-N 2.96Å; W678-L681 HydrophobicContact CE3-CB 4.45Å; W678-L681 HydrophobicContact CE3-CD2 4.11Å; W678-L681 HydrophobicContact CH2-CD2 4.38Å; W678-L681 HydrophobicContact CZ3-CD2 3.74Å; W678-L681 PolarHBondContact O-N 3.37Å; W678-S682 WeakPolarHBondContact O-CB 3.34Å; W678-S682 PolarHBondContact O-N 3Å; W678-L776 HydrophobicContact CH2-CD1 3.71Å; W678-L776 HydrophobicContact CH2-CD2 3.6Å; W678-L776 HydrophobicContact CH2-CG 4.3Å; W678-L776 HydrophobicContact CZ2-CD1 3.81Å; W678-L776 HydrophobicContact CZ2-CD2 3.79Å; W678-L776 HydrophobicContact CZ2-CG 4.35Å; W678-Q784 HydrophobicContact CH2-CB 3.71Å; W678-Q784 HydrophobicContact CH2-CG 4.24Å; W678-Q784 HydrophobicContact CZ3-CB 3.78Å; W678-Q784 HydrophobicContact CZ3-CG 3.85Å
679N44.3Very low46.5Very low116 Ų11689.5 Ų89.562%0.6246%0.46SS*.Hα-helixtrans-63.8-40.3173.7-69.7-19.8000110.4V676 L681 S682 I683V676-N679 PolarHBondContact O-N 3.5Å; N679-L681 VanDerWaalsContact C-N 3.34Å; N679-L681 PolarHBondContact O-N 3.22Å; N679-S682 PolarHBondContact O-N 3.4Å; N679-I683 VanDerWaalsContact O-CD1 3.28Å; N679-I683 WeakPolarHBondContact O-CD1 3.28Å; N679-I683 WeakPolarHBondContact O-CG1 3.4Å; N679-I683 PolarHBondContact O-N 2.92Å
680H44Very low44Very low133 Ų13398.8 Ų98.862%0.61650%0.5SS*.Hα-helixtrans-64.6-33.8174.3-81.5-71.2000113.8V676 W677 W678V676-H680 PolarHBondContact O-N 3.48Å; W677-H680 PolarHBondContact O-N 3.37Å; W678-H680 VanDerWaalsContact C-N 3.31Å; W678-H680 PolarHBondContact O-N 2.96Å
681L42.6Very low41.9Very low30 Ų30102.7 Ų102.716%0.15752%0.521CS..Hα-helixtrans-73.6-33.6176.2-158.372.4000112.2W677 W678 N679 I683 Q784 Q787W677-L681 HydrophobicContact CH2-CD1 3.75Å; W677-L681 HydrophobicContact CH2-CD2 4.11Å; W677-L681 HydrophobicContact CH2-CG 4.46Å; W677-L681 HydrophobicContact CZ2-CD1 4.17Å; W677-L681 HydrophobicContact CZ2-CD2 3.69Å; W677-L681 HydrophobicContact CZ2-CG 4.4Å; W677-L681 HydrophobicContact CZ3-CD1 4.13Å; W677-L681 PolarHBondContact O-N 3.09Å; W678-L681 HydrophobicContact CE3-CB 4.45Å; W678-L681 HydrophobicContact CE3-CD2 4.11Å; W678-L681 HydrophobicContact CH2-CD2 4.38Å; W678-L681 HydrophobicContact CZ3-CD2 3.74Å; W678-L681 PolarHBondContact O-N 3.37Å; N679-L681 VanDerWaalsContact C-N 3.34Å; N679-L681 PolarHBondContact O-N 3.22Å; L681-I683 VanDerWaalsContact C-N 3.33Å; L681-I683 PolarHBondContact O-N 3.28Å; L681-Q784 HydrophobicContact CD2-CB 4.3Å; L681-Q787 HydrophobicContact CD1-CB 4.14Å
682S35.3Very low39.6Very low78 Ų78109.6 Ų109.655%0.54555%0.554SS.*Hα-helixtrans-79.8-6.4-177.8-1660000115.1W678 N679W678-S682 WeakPolarHBondContact O-CB 3.34Å; W678-S682 PolarHBondContact O-N 3Å; N679-S682 PolarHBondContact O-N 3.4Å
683I33.3Very low37.8Very low106 Ų106114.7 Ų114.754%0.54457%0.572SS.*THydrogen-bonded Turntrans-82.8-8.9-173.6-83.5165.9000113.7N679 L681N679-I683 VanDerWaalsContact O-CD1 3.28Å; N679-I683 WeakPolarHBondContact O-CD1 3.28Å; N679-I683 WeakPolarHBondContact O-CG1 3.4Å; N679-I683 PolarHBondContact O-N 2.92Å; L681-I683 VanDerWaalsContact C-N 3.33Å; L681-I683 PolarHBondContact O-N 3.28Å
684H33Very low35.9Very low164 Ų164120.6 Ų120.676%0.75960%0.6SS**THydrogen-bonded Turntrans-88.7-13.8-172.7-105-70.5000116.9
685D29.1Very low34.5Very low89 Ų89121.3 Ų121.348%0.47660%0.598SS.*SBendtrans-108.8-0.2-177.1-69.6-46.6000114.1
686T29.8Very low33.2Very low109 Ų109127.1 Ų127.167%0.66962%0.616SS**SBendtrans-105.923.5-172.557.90000115
687K27Very low32.1Very low193 Ų193128.7 Ų128.784%0.83962%0.617SS**SBendtrans-136.550.7175.3-76.3-163.7173.9-172.60113.9
688L26.3Very low31.1Very low154 Ų154135 Ų13581%0.80665%0.653SS**SBendtrans-142.5134.8157.7-95.1112000112
689N25.8Very low30.3Very low132 Ų132136.9 Ų136.971%0.70668%0.679SS**  trans65.374.2154.7-59.712000120.1
690K27.3Very low29.5Very low194 Ų194139.7 Ų139.784%0.84369%0.694SS**SBend-142.5134.7114.6-66.2-168.3179-178.30106.8
691H28.6Very low28.7Very low181 Ų181137.1 Ų137.184%0.83870%0.703SS**  cis-121.8170.212.9-81.7-111.5000112.9
692E22Very low27.9Very low159 Ų159139.2 Ų139.274%0.74373%0.732SS**  trans-106.9170.1167-66175.3119.900110.6
693H28.3Very low27.4Very low159 Ų159142.4 Ų142.474%0.73673%0.732SS**  trans68.4134.3-178.4-59.7-101.6000115
694E27.2Very low26.9Very low148 Ų148143.4 Ų143.469%0.69273%0.734SS**  cis-155.6165.7-0.5-129.2167.9-135.100112.8
695H27.7Very low26.7Very low156 Ų156141.8 Ų141.872%0.72273%0.731SS**  trans15.9143.5151.9-76.7-45.3000122.1
696R23.7Very low26.7Very low178 Ų178145.5 Ų145.567%0.67275%0.745SS**  cis-172.2161.2-0.8-175.1170.5174.7155.56.4109.5
697E24.1Very low26.5Very low137 Ų137145.5 Ų145.564%0.6475%0.75SS**  trans23.4108.8160.5-69.5146.8-160.800119
698D27.9Very low26.4Very low173 Ų173142 Ų14293%0.92575%0.745SS**  -173.4167.3104.6-110.9-26.2000113.1
699A28Very low26.4Very low85 Ų85141.6 Ų141.670%0.70274%0.744SS**  trans-120.7117.8-179.800000112.4
700N28.5Very low26.5Very low176 Ų176142.6 Ų142.694%0.94175%0.747SS**  trans177.3169152.4-101.9-48.6000112.8
701G28.1Very low26.3Very low78 Ų78138.1 Ų138.180%0.80474%0.74SS**  trans81.597.9149.200000117.2
702G24.7Very low26.2Very low74 Ų74136.3 Ų136.376%0.76374%0.736SS**  trans-97.7-173.9175.200000115.1
703R24.1Very low26.4Very low145 Ų145133.1 Ų133.155%0.54772%0.723SS.*  trans64.2102.6158.2-61.1-169.2179.5-132.5-6.6116.4D713 E714R703-D713 IonicContact CZ-OD1 3.29Å; R703-D713 IonicContact CZ-OD2 2.64Å; R703-D713 IonicContact NH1-OD1 2.75Å; R703-D713 IonicContact NH1-OD2 3.54Å; R703-D713 PolarHBondContact NH1-OD2 3.43Å; R703-D713 VanDerWaalsContact NH2-CG 3.26Å; R703-D713 IonicContact NH2-OD1 2.87Å; R703-D713 PolarHBondContact NH2-OD1 3.01Å; R703-D713 IonicContact NH2-OD2 3.77Å; R703-D713 PolarHBondContact NH2-OD2 3.4Å; R703-E714 IonicContact CZ-OE2 2.73Å; R703-E714 IonicContact NE-OE2 2.8Å; R703-E714 IonicContact NH2-OE2 3.33Å; R703-E714 PolarHBondContact NH2-OE2 2.84Å
704Q24.7Very low26.2Very low127 Ų127132.9 Ų132.959%0.59372%0.723SS**  97.1130.178.8-87.8166.74.900110.7
705N28.1Very low26Very low131 Ų131131.6 Ų131.670%0.70173%0.73SS**  trans-174.7118.7137.7-97.8-20000113.6
706H28.6Very low25.8Very low166 Ų166129.1 Ų129.177%0.76973%0.731SS**  trans61.5142.5151.2-43-36.6000119.5
707S25.7Very low25.9Very low109 Ų109126 Ų12676%0.76274%0.736SS**  cis-161150.7-16.846.40000106.6
708T25Very low26Very low121 Ų121126.7 Ų126.774%0.74274%0.744SS**SBendcis-137.4169.940.952.30000113.5
709N27Very low25.8Very low145 Ų145124.5 Ų124.578%0.77574%0.741SS**SBendtrans65.264.1172.3-61.9-8.8000118.1
710I26.7Very low25.6Very low152 Ų152123.6 Ų123.678%0.77974%0.739SS**  23.7107.1125.4-50.3171000115
711S23.1Very low25.4Very low100 Ų100126.7 Ų126.770%0.69974%0.738SS**  cis83.2162.526.8-47.40000117
712I27.4Very low25.2Very low144 Ų144129.7 Ų129.774%0.73873%0.734SS**  trans83.6121-175.9-57.5176.9000113.3
713D25.5Very low25.3Very low91 Ų91134.2 Ų134.249%0.48773%0.733SS.*  cis-156.4-146.3-11.7-1121.4000110.6R703R703-D713 IonicContact CZ-OD1 3.29Å; R703-D713 IonicContact CZ-OD2 2.64Å; R703-D713 IonicContact NH1-OD1 2.75Å; R703-D713 IonicContact NH1-OD2 3.54Å; R703-D713 PolarHBondContact NH1-OD2 3.43Å; R703-D713 VanDerWaalsContact NH2-CG 3.26Å; R703-D713 IonicContact NH2-OD1 2.87Å; R703-D713 PolarHBondContact NH2-OD1 3.01Å; R703-D713 IonicContact NH2-OD2 3.77Å; R703-D713 PolarHBondContact NH2-OD2 3.4Å
714E24Very low25.3Very low154 Ų154139.3 Ų139.372%0.7275%0.752SS**  trans-110.9-175-161.3-55.2164.3102.800112.1R703R703-E714 IonicContact CZ-OE2 2.73Å; R703-E714 IonicContact NE-OE2 2.8Å; R703-E714 IonicContact NH2-OE2 3.33Å; R703-E714 PolarHBondContact NH2-OE2 2.84Å
715S23.9Very low25.3Very low121 Ų121144 Ų14485%0.84676%0.764SS**  cis-151.9-142.915.863.30000113.2
716S24Very low25.1Very low105 Ų105143.9 Ų143.973%0.73477%0.771SS**  trans-136.5173.4-144.674.10000119.9
717S24.8Very low24.8Very low111 Ų111140.7 Ų140.778%0.77677%0.767SS**  trans106156.1156.578.70000121.2
718D26.1Very low24.9Very low153 Ų153140.5 Ų140.582%0.81877%0.766SS**  trans58.789.2170.2-71.3-7.1000124.4
719C22.8Very low25.1Very low127 Ų127143 Ų14386%0.85877%0.773SS**  51.689.2111-152.70000121.5
720G24.5Very low25Very low65 Ų65141.5 Ų141.567%0.6777%0.769SS**  102.7135125.500000120.5
721R24Very low25.6Very low242 Ų242139 Ų13991%0.91376%0.763SS**  trans67.8153.3169.2-57.5-179.7-177.2-170.93114.5
722I25.2Very low25.6Very low140 Ų140143.9 Ų143.972%0.71877%0.766SS**  cis-154.1166.6-12.2-112.6165.6000107.9
723F25.4Very low25.5Very low170 Ų170145.4 Ų145.475%0.74676%0.763SS**  trans-27.5131.5169.9-74.7-104.4000117.4
724R24.6Very low25.7Very low252 Ų252146.4 Ų146.495%0.95178%0.777SS**  trans-158.6170.2137.3-110.9166.6-160.2-132.24.4112.9
725R24.2Very low25.8Very low224 Ų224147.3 Ų147.385%0.84579%0.785SS**  trans-79.6153.7-168.2-62.9172.4172.5163.2-6.6113.9
726P25.3Very low26Very low129 Ų129144.6 Ų144.684%0.83878%0.776SS**  trans-105.5112.4154.134.4-24.8000112.5
727S22.4Very low26Very low99 Ų99146.8 Ų146.869%0.69277%0.772SS**  trans-173.5125159.958.40000109.1
728S27.3Very low26Very low105 Ų105147.6 Ų147.673%0.73477%0.768SS**  cis-166.3132.1-7.548.90000108.9
729I28.4Very low26.1Very low173 Ų173146.6 Ų146.689%0.88776%0.763SS**  trans-127.5133.6164.8-66.3-176.3000109.2
730T25.4Very low26.3Very low115 Ų115150.4 Ų150.471%0.70676%0.759SS**  trans-142.6-167.2-178.660.30000106
731P38.3Very low26.3Very low100 Ų100152 Ų15265%0.64976%0.76SS**  cis-113.5-172.2-47.821.60.4000109.7
732R24.5Very low26.5Very low201 Ų201150.8 Ų150.876%0.75876%0.762SS**  175.2142.575.7-82.1-173.4176.8-143.3-2.9114
733R25.1Very low26.4Very low177 Ų177151.4 Ų151.467%0.66876%0.761SS**  trans46.5125.5136.2-63.6-178.4169.1-149.3-5.7122.2
734S28.7Very low26.5Very low112 Ų112148.8 Ų148.878%0.78376%0.762SS**  -150.9148.6126.451.70000108.9
735I27.4Very low26.5Very low173 Ų173142.6 Ų142.689%0.88775%0.748SS**SBendcis-145.2147.2-20.8-95.6157.7000106.4
736G27Very low26.6Very low64 Ų64137.7 Ų137.766%0.6675%0.747SS**  trans138.7144173.500000114.2
737F24.3Very low26.7Very low150 Ų150136 Ų13666%0.65874%0.738SS**  trans-154.2144.8-166.7-103.3-75.2000113.8
738N25.4Very low27.1Very low129 Ų129137.4 Ų137.469%0.6975%0.746SS**  trans62.6146.3161.6-50.6-33.7000115.7
739N27.2Very low27.2Very low132 Ų132138.9 Ų138.971%0.70674%0.735SS**  cis-136.5173.812.7-74.7-96.8000108.4
740R27.9Very low27.4Very low206 Ų206138.5 Ų138.578%0.77773%0.729SS**  cis-149.2-151.22.9-140.5175.8-164.7-1580.3110.2
741S25Very low28Very low99 Ų99135 Ų13569%0.69271%0.709SS**  trans-145.5149179.853.40000113.1
742F28Very low28Very low216 Ų216137.6 Ų137.695%0.94771%0.713SS**  trans-151.4151.9134.5-107.9-73.7000109.4
743Q23.2Very low28.7Very low153 Ų153128.2 Ų128.272%0.71568%0.678SS**  trans-107.7162.7-171.4-123.7177.6-0.500109.8N745Q743-N745 PolarHBondContact NE2-OD1 3.5Å
744P27Very low29.4Very low116 Ų116121.2 Ų121.275%0.75366%0.655SS**  -146.6134.965.935.9-15.1000118.2
745N23.5Very low30.1Very low122 Ų122119 Ų11965%0.65263%0.63SS**  44.385.7129.1-55.3-13.1000120.4Q743Q743-N745 PolarHBondContact NE2-OD1 3.5Å
746S27Very low30.7Very low120 Ų120111.9 Ų111.984%0.83960%0.596SS**  -157.5125.411153.40000110.7
747S28.3Very low31.1Very low93 Ų93111.9 Ų111.965%0.6558%0.58SS**  trans-92.5142.317350.50000110.5R749S747-R749 VanDerWaalsContact C-N 3.34Å; S747-R749 PolarHBondContact O-N 3.06Å
748P30.7Very low31.9Very low130 Ų130112.6 Ų112.684%0.84459%0.585SS**  trans-69.194.1169.729.2-32.7000108.4E750P748-E750 PolarHBondContact O-N 3.23Å
749R29.3Very low32.2Very low136 Ų136111.1 Ų111.151%0.51359%0.585SS.*  trans-60127.5-179.9-82.2178.9163.6-127.66.2110.5S747 C751 L1117S747-R749 VanDerWaalsContact C-N 3.34Å; S747-R749 PolarHBondContact O-N 3.06Å; R749-C751 PolarHBondContact O-N 3.11Å; R749-L1117 PolarHBondContact NH1-O 2.9Å
750E32.5Very low32.9Very low164 Ų164105.9 Ų105.977%0.76656%0.562SS**  trans-48.5132.2178.5-66167.6114.400111.3P748P748-E750 PolarHBondContact O-N 3.23Å
751C38Very low33.7Very low41 Ų41101.8 Ų101.828%0.27756%0.562SS.*  trans-106.394.4-175.1-170.80000109.6R749 C753 C756 C1122R749-C751 PolarHBondContact O-N 3.11Å; C751-C753 PolarHBondContact O-N 3Å; C751-C756 HydrophobicContact CB-CB 4.32Å; C751-C1122 WeakPolarHBondContact SG-CB 3.47Å; C751-C1122 PolarHBondContact SG-SG 2.63Å
752Q38.3Very low34.7Very low156 Ų15697.5 Ų97.573%0.72953%0.532SS*.  trans-67.333.8176.5-108.981.649.700114.6
753C38.6Very low36Very low4 Ų492.5 Ų92.53%0.02752%0.515CS..  trans-91.1123.1171.51500000108.9C751 Y755 C756 D757 S1124C751-C753 PolarHBondContact O-N 3Å; C753-Y755 PolarHBondContact O-N 3.25Å; C753-Y755 VanDerWaalsContact SG-C 3.57Å; C753-Y755 PolarHBondContact SG-N 3.22Å; C753-C756 HydrophobicContact CB-CB 3.49Å; C753-C756 VanDerWaalsContact CB-CB 3.49Å; C753-C756 WeakPolarHBondContact CB-SG 3.43Å; C753-C756 CarbonylContact O-C 3.49Å; C753-C756 WeakPolarHBondContact O-CA 3.14Å; C753-C756 PolarHBondContact O-N 3.45Å; C753-C756 WeakPolarHBondContact SG-CB 3.48Å; C753-C756 PolarHBondContact SG-N 3.06Å; C753-C756 CovalentContact SG-SG 2.05Å; C753-C756 PolarHBondContact SG-SG 3Å; C753-D757 PolarHBondContact O-N 2.85Å; C753-S1124 PolarHBondContact SG-OG 3.21Å
754P40.6Very low37.9Very low30 Ų3087 Ų8720%0.19549%0.489CS..THydrogen-bonded Turntrans-69-0.7-179.727.4-35.5000114.9R795P754-R795 PolarHBondContact O-NH2 3.13Å
755Y42.8Very low39.7Very low65 Ų6582.4 Ų82.426%0.25546%0.459SS..THydrogen-bonded Turntrans-1064.4171.2-43.4-70.2000112.6C753 L796 S799 W1130C753-Y755 PolarHBondContact O-N 3.25Å; C753-Y755 VanDerWaalsContact SG-C 3.57Å; C753-Y755 PolarHBondContact SG-N 3.22Å; Y755-L796 HydrophobicContact CE1-CD2 4.31Å; Y755-S799 PolarHBondContact OH-OG 2.77Å; Y755-W1130 HydrophobicContact CD1-CH2 4.24Å; Y755-W1130 HydrophobicContact CE1-CH2 4.16Å; Y755-W1130 AromaticContact CE1-CZ2 3.99Å; Y755-W1130 HydrophobicContact CE1-CZ2 3.99Å; Y755-W1130 HydrophobicContact CE2-CZ2 4.28Å; Y755-W1130 AromaticContact CZ-CZ2 3.87Å
756C39.4Very low42Very low24 Ų2477.3 Ų77.316%0.16243%0.432CS..THydrogen-bonded Turntrans-139.1-7.6-169.5-410000112.9C751 C753 H758 C1122 S1124C751-C756 HydrophobicContact CB-CB 4.32Å; C753-C756 HydrophobicContact CB-CB 3.49Å; C753-C756 VanDerWaalsContact CB-CB 3.49Å; C753-C756 WeakPolarHBondContact CB-SG 3.43Å; C753-C756 CarbonylContact O-C 3.49Å; C753-C756 WeakPolarHBondContact O-CA 3.14Å; C753-C756 PolarHBondContact O-N 3.45Å; C753-C756 WeakPolarHBondContact SG-CB 3.48Å; C753-C756 PolarHBondContact SG-N 3.06Å; C753-C756 CovalentContact SG-SG 2.05Å; C753-C756 PolarHBondContact SG-SG 3Å; C756-H758 PolarHBondContact O-CE1 2.89Å; C756-H758 PolarHBondContact O-N 3.28Å; C756-H758 VanDerWaalsContact O-N 3.11Å; C756-H758 PolarHBondContact O-ND1 3.46Å; C756-C1122 PolarHBondContact SG-SG 2.98Å; C756-S1124 PolarHBondContact SG-OG 2.96Å
757D36.7Very low44Very low63 Ų6372.3 Ų72.334%0.33740%0.396SS..  trans-57107.4167.4-89-55.4000110.6C753 S759C753-D757 PolarHBondContact O-N 2.85Å; D757-S759 WeakPolarHBondContact CB-OG 3.2Å; D757-S759 PolarHBondContact O-N 3.28Å
758H40.1Very low46Very low165 Ų16568.4 Ų68.476%0.76437%0.368SS*.SBendtrans-76.334.5175.9-67.844.6000111.9C756C756-H758 PolarHBondContact O-CE1 2.89Å; C756-H758 PolarHBondContact O-N 3.28Å; C756-H758 VanDerWaalsContact O-N 3.11Å; C756-H758 PolarHBondContact O-ND1 3.46Å
759S32.8Very low48.2Very low98 Ų9862.7 Ų62.769%0.68533%0.33SS*.  trans-133.420.7-16457.90000113.2D757D757-S759 WeakPolarHBondContact CB-OG 3.2Å; D757-S759 PolarHBondContact O-N 3.28Å
760G41.6Very low50.5Low22 Ų2256.2 Ų56.223%0.22731%0.306CS..SBendtrans-139.4153.6173.300000111.9L762 N763G760-L762 PolarHBondContact O-N 2.81Å; G760-N763 PolarHBondContact O-OD1 3.28Å
761P43.9Very low52.6Low120 Ų12048.6 Ų48.678%0.77927%0.27SS*.SBendtrans-73.919.9-162.631.2-38.9000116.2
762L47.1Very low54.8Low9 Ų946.8 Ų46.85%0.04726%0.258CS..  trans-142.191.8174.7-74.1172.3000107.6W677 G760 E764 L769 F791W677-L762 HydrophobicContact CB-CD2 4Å; W677-L762 HydrophobicContact CD2-CD1 4.38Å; W677-L762 HydrophobicContact CD2-CD2 4.25Å; W677-L762 HydrophobicContact CE3-CD1 4.21Å; W677-L762 HydrophobicContact CG-CD2 3.9Å; G760-L762 PolarHBondContact O-N 2.81Å; L762-E764 PolarHBondContact O-N 3.13Å; L762-L769 HydrophobicContact CD1-CD2 4.26Å; L762-F791 HydrophobicContact CD1-CD1 4.21Å; L762-F791 HydrophobicContact CD1-CE1 3.67Å; L762-F791 HydrophobicContact CD1-CZ 4.29Å
763N55.6Low56.9Low112 Ų11239.4 Ų39.460%0.59922%0.223SC*.  trans-76.828.9-177.1-74.6-24.3000113.2G760G760-N763 PolarHBondContact O-OD1 3.28Å
764E62.4Low58.9Low36 Ų3639.6 Ų39.617%0.16823%0.225CC..  trans-110.4142.8-170.5-66.5-169.5136.500113.3M671 L762 L769 R772M671-E764 WeakPolarHBondContact CE-OE1 3.42Å; L762-E764 PolarHBondContact O-N 3.13Å; E764-L769 HydrophobicContact CB-CD1 4.38Å; E764-L769 HydrophobicContact CB-CD2 4.05Å; E764-L769 HydrophobicContact CB-CG 3.89Å; E764-L769 WeakPolarHBondContact OE2-CD2 3.39Å; E764-R772 VanDerWaalsContact CD-CZ 3.49Å; E764-R772 IonicContact OE1-CZ 2.82Å; E764-R772 IonicContact OE1-NE 3.86Å; E764-R772 PolarHBondContact OE1-NE 3.48Å; E764-R772 IonicContact OE1-NH1 3.87Å; E764-R772 PolarHBondContact OE1-NH1 3.23Å; E764-R772 IonicContact OE1-NH2 2.74Å; E764-R772 PolarHBondContact OE1-NH2 3.29Å; E764-R772 VanDerWaalsContact OE2-CD 3.27Å; E764-R772 WeakPolarHBondContact OE2-CD 3.34Å; E764-R772 IonicContact OE2-CZ 3.84Å; E764-R772 IonicContact OE2-NE 3.96Å; E764-R772 IonicContact OE2-NH1 2.93Å; E764-R772 PolarHBondContact OE2-NH1 3.37Å
765P64.1Low60.9Low20 Ų2038.1 Ų38.113%0.1322%0.216CC..  trans-72.2142.3176.629.1-32.8000111.8F621 P767 L768 L769F621-P765 HydrophobicContact CB-CB 4.25Å; F621-P765 HydrophobicContact CB-CG 4.03Å; F621-P765 HydrophobicContact CD1-CB 3.47Å; F621-P765 VanDerWaalsContact CD1-CB 3.47Å; F621-P765 HydrophobicContact CD1-CG 4.21Å; F621-P765 HydrophobicContact CE1-CB 4.18Å; F621-P765 HydrophobicContact CG-CB 4.2Å; F621-P765 HydrophobicContact CG-CG 4.49Å; F621-P765 WeakPolarHBondContact O-CG 3.42Å; P765-P767 WeakPolarHBondContact O-CD 3.29Å; P765-P767 VanDerWaalsContact O-N 3.09Å; P765-L768 HydrophobicContact CG-CB 4.06Å; P765-L768 HydrophobicContact CG-CD2 4.26Å; P765-L768 WeakPolarHBondContact O-CA 3.49Å; P765-L768 VanDerWaalsContact O-CB 3.23Å; P765-L768 WeakPolarHBondContact O-CB 3.19Å; P765-L768 PolarHBondContact O-N 2.86Å; P765-L769 PolarHBondContact O-N 3.09Å
766F71.9Confident62.8Low16 Ų1635 Ų357%0.0720%0.203CC..Hα-helixtrans-44.4-43.3-175.8167.4-90.4000116.5L768 L769 C770 I792 L796 W1130 P1137 I1138 L1141F766-L768 PolarHBondContact O-N 3.48Å; F766-L769 PolarHBondContact O-N 2.97Å; F766-C770 WeakPolarHBondContact CE2-SG 3.28Å; F766-C770 WeakPolarHBondContact CZ-SG 3.21Å; F766-C770 PolarHBondContact O-N 3.22Å; F766-C770 VanDerWaalsContact O-N 3.08Å; F766-C770 PolarHBondContact O-SG 2.98Å; F766-I792 HydrophobicContact CD2-CG2 3.74Å; F766-I792 HydrophobicContact CE2-CG2 3.43Å; F766-I792 VanDerWaalsContact CE2-CG2 3.43Å; F766-L796 HydrophobicContact CD2-CD1 4.36Å; F766-L796 HydrophobicContact CD2-CD2 3.83Å; F766-L796 HydrophobicContact CD2-CG 4.07Å; F766-L796 HydrophobicContact CE2-CD1 3.46Å; F766-L796 VanDerWaalsContact CE2-CD1 3.46Å; F766-L796 HydrophobicContact CE2-CD2 3.74Å; F766-L796 HydrophobicContact CE2-CG 3.64Å; F766-L796 HydrophobicContact CZ-CD1 3.81Å; F766-L796 HydrophobicContact CZ-CD2 4.33Å; F766-L796 HydrophobicContact CZ-CG 4.4Å; F766-W1130 HydrophobicContact CB-CH2 3.96Å; F766-W1130 HydrophobicContact CB-CZ3 3.83Å; F766-W1130 HydrophobicContact CD1-CD2 4.01Å; F766-W1130 AromaticContact CD1-CE3 3.36Å; F766-W1130 HydrophobicContact CD1-CE3 3.36Å; F766-W1130 AromaticContact CD1-CH2 3.99Å; F766-W1130 HydrophobicContact CD1-CH2 3.99Å; F766-W1130 AromaticContact CD1-CZ3 3.36Å; F766-W1130 HydrophobicContact CD1-CZ3 3.36Å; F766-W1130 HydrophobicContact CE1-CD2 4.09Å; F766-W1130 AromaticContact CE1-CE3 3.81Å; F766-W1130 HydrophobicContact CE1-CE3 3.81Å; F766-W1130 HydrophobicContact CE1-CZ3 4.25Å; F766-W1130 HydrophobicContact CG-CE3 4.3Å; F766-W1130 HydrophobicContact CG-CH2 4.14Å; F766-W1130 AromaticContact CG-CZ3 3.9Å; F766-W1130 HydrophobicContact CG-CZ3 3.9Å; F766-P1137 HydrophobicContact CE1-CB 4.46Å; F766-I1138 HydrophobicContact CE1-CG1 4.36Å; F766-I1138 HydrophobicContact CZ-CG1 4.32Å; F766-L1141 HydrophobicContact CE2-CD2 4.3Å; F766-L1141 HydrophobicContact CZ-CD2 4.37Å
767P69.2Low64.8Low15 Ų1536.8 Ų36.810%0.09721%0.207CC..Hα-helixtrans-61.8-32.7179.6-22.635.3000112.6F621 P765 L771 W1130 L1133 P1137F621-P767 HydrophobicContact CD2-CG 4.39Å; F621-P767 HydrophobicContact CE1-CG 4.19Å; F621-P767 HydrophobicContact CE2-CG 3.97Å; F621-P767 HydrophobicContact CZ-CG 3.86Å; P765-P767 WeakPolarHBondContact O-CD 3.29Å; P765-P767 VanDerWaalsContact O-N 3.09Å; P767-L771 WeakPolarHBondContact O-CD1 3.37Å; P767-L771 VanDerWaalsContact O-CG 3.28Å; P767-L771 WeakPolarHBondContact O-CG 3.49Å; P767-L771 PolarHBondContact O-N 3.31Å; P767-W1130 HydrophobicContact CG-CE3 4.48Å; P767-W1130 HydrophobicContact CG-CZ3 4.29Å; P767-L1133 HydrophobicContact CB-CD1 4.2Å; P767-L1133 HydrophobicContact CG-CD1 3.76Å; P767-P1137 HydrophobicContact CB-CB 4.42Å; P767-P1137 HydrophobicContact CB-CG 4.27Å
768L71.2Confident66.8Low11 Ų1134.3 Ų34.36%0.05819%0.194CC..Hα-helixtrans-76.1-42.6-177.8-149.769.2000111.1I625 M671 P765 F766 C770 L771 R772I625-L768 HydrophobicContact CD1-CD2 3.97Å; M671-L768 HydrophobicContact CE-CD1 4.33Å; M671-L768 HydrophobicContact CE-CD2 3.48Å; M671-L768 VanDerWaalsContact CE-CD2 3.48Å; M671-L768 HydrophobicContact CE-CG 3.51Å; M671-L768 HydrophobicContact CG-CD2 4.48Å; M671-L768 HydrophobicContact SD-CD1 3.7Å; M671-L768 HydrophobicContact SD-CD2 3.66Å; M671-L768 HydrophobicContact SD-CG 3.57Å; M671-L768 VanDerWaalsContact SD-CG 3.57Å; P765-L768 HydrophobicContact CG-CB 4.06Å; P765-L768 HydrophobicContact CG-CD2 4.26Å; P765-L768 WeakPolarHBondContact O-CA 3.49Å; P765-L768 VanDerWaalsContact O-CB 3.23Å; P765-L768 WeakPolarHBondContact O-CB 3.19Å; P765-L768 PolarHBondContact O-N 2.86Å; F766-L768 PolarHBondContact O-N 3.48Å; L768-C770 VanDerWaalsContact C-N 3.3Å; L768-C770 PolarHBondContact O-N 2.96Å; L768-L771 CarbonylContact O-C 3.49Å; L768-L771 WeakPolarHBondContact O-CA 3.23Å; L768-L771 WeakPolarHBondContact O-CB 3.5Å; L768-L771 PolarHBondContact O-N 3.45Å; L768-R772 PolarHBondContact O-N 2.97Å
769L75.6Confident68.8Low10 Ų1026.6 Ų26.65%0.05216%0.159CC..Hα-helixtrans-57.8-40.3170.2-72.4168.4000112L762 E764 P765 F766 L771 R772 V773 I792L762-L769 HydrophobicContact CD1-CD2 4.26Å; E764-L769 HydrophobicContact CB-CD1 4.38Å; E764-L769 HydrophobicContact CB-CD2 4.05Å; E764-L769 HydrophobicContact CB-CG 3.89Å; E764-L769 WeakPolarHBondContact OE2-CD2 3.39Å; P765-L769 PolarHBondContact O-N 3.09Å; F766-L769 PolarHBondContact O-N 2.97Å; L769-L771 VanDerWaalsContact C-N 3.29Å; L769-L771 PolarHBondContact O-N 3.23Å; L769-R772 PolarHBondContact O-N 3.44Å; L769-V773 PolarHBondContact O-N 2.89Å; L769-V773 VanDerWaalsContact O-N 3.11Å; L769-I792 HydrophobicContact CB-CD1 3.71Å; L769-I792 HydrophobicContact CB-CG1 4.05Å; L769-I792 WeakPolarHBondContact O-CD1 3.33Å
770C78.1Confident71Confident0 Ų023.6 Ų23.60%014%0.143CC..Hα-helixtrans-68.1-27174.4-64.80000113.3F766 L768 A774 P1137F766-C770 WeakPolarHBondContact CE2-SG 3.28Å; F766-C770 WeakPolarHBondContact CZ-SG 3.21Å; F766-C770 PolarHBondContact O-N 3.22Å; F766-C770 VanDerWaalsContact O-N 3.08Å; F766-C770 PolarHBondContact O-SG 2.98Å; L768-C770 VanDerWaalsContact C-N 3.3Å; L768-C770 PolarHBondContact O-N 2.96Å; C770-A774 PolarHBondContact O-N 3.31Å; C770-P1137 HydrophobicContact CB-CB 3.43Å; C770-P1137 VanDerWaalsContact CB-CB 3.43Å
771L77.1Confident72.9Confident3 Ų324.6 Ų24.62%0.01614%0.14CC..Hα-helixtrans-78.2-33.1174.5-70.5161.8000111.7L577 T580 L584 L664 P767 L768 L769 A774 A775L577-L771 HydrophobicContact CD1-CD2 4.06Å; T580-L771 HydrophobicContact CG2-CB 4.11Å; T580-L771 HydrophobicContact CG2-CD1 4.28Å; T580-L771 HydrophobicContact CG2-CD2 4Å; T580-L771 HydrophobicContact CG2-CG 4.35Å; L584-L771 HydrophobicContact CD1-CB 4.12Å; L664-L771 HydrophobicContact CD1-CD1 3.8Å; L664-L771 HydrophobicContact CD2-CD1 3.81Å; L664-L771 HydrophobicContact CD2-CD2 4.47Å; L664-L771 HydrophobicContact CG-CD1 4.19Å; P767-L771 WeakPolarHBondContact O-CD1 3.37Å; P767-L771 VanDerWaalsContact O-CG 3.28Å; P767-L771 WeakPolarHBondContact O-CG 3.49Å; P767-L771 PolarHBondContact O-N 3.31Å; L768-L771 CarbonylContact O-C 3.49Å; L768-L771 WeakPolarHBondContact O-CA 3.23Å; L768-L771 WeakPolarHBondContact O-CB 3.5Å; L768-L771 PolarHBondContact O-N 3.45Å; L769-L771 VanDerWaalsContact C-N 3.29Å; L769-L771 PolarHBondContact O-N 3.23Å; L771-A774 PolarHBondContact O-N 3.02Å; L771-A775 WeakPolarHBondContact O-CB 3.43Å; L771-A775 PolarHBondContact O-N 3Å
772R82.6Confident74.5Confident4 Ų422.2 Ų22.22%0.01512%0.121CC..Hα-helixtrans-58.8-43.7165.9-79.3177.8153.5-171.2-4.4111.3L584 M671 S672 W673 D675 E764 L768 L769 A774 A775 L776 L788L584-R772 HydrophobicContact CD1-CG 4.47Å; M671-R772 HydrophobicContact CE-CG 4.2Å; S672-R772 PolarHBondContact O-NH2 3.36Å; W673-R772 HydrophobicContact CE3-CG 4.34Å; W673-R772 HydrophobicContact CH2-CB 3.62Å; W673-R772 HydrophobicContact CH2-CG 3.53Å; W673-R772 HydrophobicContact CZ2-CG 4.33Å; W673-R772 HydrophobicContact CZ3-CB 3.88Å; W673-R772 VanDerWaalsContact CZ3-CD 3.42Å; W673-R772 HydrophobicContact CZ3-CG 3.5Å; W673-R772 VanDerWaalsContact CZ3-NE 3.34Å; D675-R772 IonicContact OD2-CZ 3.66Å; D675-R772 IonicContact OD2-NH1 2.77Å; D675-R772 PolarHBondContact OD2-NH1 3.46Å; D675-R772 IonicContact OD2-NH2 3.79Å; D675-R772 PolarHBondContact OD2-NH2 2.72Å; E764-R772 VanDerWaalsContact CD-CZ 3.49Å; E764-R772 IonicContact OE1-CZ 2.82Å; E764-R772 IonicContact OE1-NE 3.86Å; E764-R772 PolarHBondContact OE1-NE 3.48Å; E764-R772 IonicContact OE1-NH1 3.87Å; E764-R772 PolarHBondContact OE1-NH1 3.23Å; E764-R772 IonicContact OE1-NH2 2.74Å; E764-R772 PolarHBondContact OE1-NH2 3.29Å; E764-R772 VanDerWaalsContact OE2-CD 3.27Å; E764-R772 WeakPolarHBondContact OE2-CD 3.34Å; E764-R772 IonicContact OE2-CZ 3.84Å; E764-R772 IonicContact OE2-NE 3.96Å; E764-R772 IonicContact OE2-NH1 2.93Å; E764-R772 PolarHBondContact OE2-NH1 3.37Å; L768-R772 PolarHBondContact O-N 2.97Å; L769-R772 PolarHBondContact O-N 3.44Å; R772-A774 PolarHBondContact O-N 3.38Å; R772-A775 PolarHBondContact O-N 3.28Å; R772-L776 VanDerWaalsContact O-CG 3.28Å; R772-L776 WeakPolarHBondContact O-CG 3.15Å; R772-L776 PolarHBondContact O-N 3.39Å; R772-L788 HydrophobicContact CB-CD2 3.86Å
773V83.2Confident75.7Confident0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-58.2-48.2170.5173.90000111.9L769 A775 L776 R777 L788 A789 I792 L1141 C1144L769-V773 PolarHBondContact O-N 2.89Å; L769-V773 VanDerWaalsContact O-N 3.11Å; V773-A775 VanDerWaalsContact C-N 3.33Å; V773-A775 PolarHBondContact O-N 3.14Å; V773-L776 PolarHBondContact O-N 3.13Å; V773-R777 WeakPolarHBondContact O-CB 3.44Å; V773-R777 PolarHBondContact O-N 3.3Å; V773-L788 HydrophobicContact CG2-CB 4.01Å; V773-L788 HydrophobicContact CG2-CD2 3.69Å; V773-L788 HydrophobicContact CG2-CG 3.58Å; V773-A789 HydrophobicContact CG1-CB 4.01Å; V773-A789 HydrophobicContact CG2-CB 4.21Å; V773-I792 HydrophobicContact CG2-CD1 3.58Å; V773-L1141 HydrophobicContact CG2-CD1 4.49Å; V773-C1144 HydrophobicContact CG1-CB 4.05Å
774A80.5Confident76.9Confident8 Ų820.7 Ų20.77%0.06611%0.113CC..Hα-helixtrans-61.7-40.7-179.200000112.3L577 C770 L771 R772 S778 C1140L577-A774 HydrophobicContact CD1-CB 4.23Å; C770-A774 PolarHBondContact O-N 3.31Å; L771-A774 PolarHBondContact O-N 3.02Å; R772-A774 PolarHBondContact O-N 3.38Å; A774-S778 WeakPolarHBondContact O-CB 3.36Å; A774-S778 PolarHBondContact O-N 2.98Å; A774-S778 PolarHBondContact O-OG 3.27Å; A774-S778 VanDerWaalsContact O-OG 3.05Å; A774-C1140 HydrophobicContact CB-CB 3.89Å
775A82.3Confident77.9Confident0 Ų019 Ų190%011%0.105CC..Hα-helixtrans-64.6-48.717700000111.8L584 L771 R772 V773 R777 S778 N779L584-A775 HydrophobicContact CB-CB 3.46Å; L584-A775 VanDerWaalsContact CB-CB 3.46Å; L584-A775 HydrophobicContact CD1-CB 4.44Å; L771-A775 WeakPolarHBondContact O-CB 3.43Å; L771-A775 PolarHBondContact O-N 3Å; R772-A775 PolarHBondContact O-N 3.28Å; V773-A775 VanDerWaalsContact C-N 3.33Å; V773-A775 PolarHBondContact O-N 3.14Å; A775-R777 PolarHBondContact O-N 2.73Å; A775-S778 WeakPolarHBondContact CA-OG 3.3Å; A775-S778 PolarHBondContact O-N 3.34Å; A775-S778 PolarHBondContact O-OG 3.14Å; A775-N779 PolarHBondContact O-N 3.1Å; A775-N779 PolarHBondContact O-ND2 2.69Å
776L83.5Confident78.9Confident0 Ų018.8 Ų18.80%010%0.103CC..Hα-helixtrans-58.3-50.4176.6-68.7167000111.3W673 W678 R772 V773 S778 N779 G780 Y781 Q784 A785 L788W673-L776 HydrophobicContact CH2-CD1 4.1Å; W673-L776 HydrophobicContact CH2-CD2 4.11Å; W673-L776 HydrophobicContact CH2-CG 3.94Å; W673-L776 HydrophobicContact CZ2-CD2 4.14Å; W673-L776 HydrophobicContact CZ2-CG 4.26Å; W678-L776 HydrophobicContact CH2-CD1 3.71Å; W678-L776 HydrophobicContact CH2-CD2 3.6Å; W678-L776 HydrophobicContact CH2-CG 4.3Å; W678-L776 HydrophobicContact CZ2-CD1 3.81Å; W678-L776 HydrophobicContact CZ2-CD2 3.79Å; W678-L776 HydrophobicContact CZ2-CG 4.35Å; R772-L776 VanDerWaalsContact O-CG 3.28Å; R772-L776 WeakPolarHBondContact O-CG 3.15Å; R772-L776 PolarHBondContact O-N 3.39Å; V773-L776 PolarHBondContact O-N 3.13Å; L776-S778 VanDerWaalsContact C-N 3.26Å; L776-S778 PolarHBondContact O-N 3.03Å; L776-N779 PolarHBondContact O-N 3.26Å; L776-N779 VanDerWaalsContact O-N 3.13Å; L776-G780 PolarHBondContact O-N 3.3Å; L776-Y781 HydrophobicContact CD2-CG 4.06Å; L776-Y781 PolarHBondContact O-N 3.39Å; L776-Q784 HydrophobicContact CD1-CB 4.43Å; L776-A785 HydrophobicContact CB-CB 3.67Å; L776-L788 HydrophobicContact CD1-CD2 4.01Å
777R81.3Confident79.3Confident61 Ų6121.6 Ų21.623%0.2312%0.116CC..Hα-helixtrans-55.9-39.4175.9-179.3176.8172-128.72111.9V773 A775 L782 A785 E1143 D1147V773-R777 WeakPolarHBondContact O-CB 3.44Å; V773-R777 PolarHBondContact O-N 3.3Å; A775-R777 PolarHBondContact O-N 2.73Å; R777-L782 HydrophobicContact CG-CD2 4.26Å; R777-A785 HydrophobicContact CB-CB 4.16Å; R777-E1143 IonicContact CZ-OE2 2.74Å; R777-E1143 IonicContact NH1-OE2 3.72Å; R777-E1143 PolarHBondContact NH1-OE2 3Å; R777-E1143 IonicContact NH2-OE2 3.2Å; R777-D1147 IonicContact CZ-OD2 2.63Å; R777-D1147 IonicContact NE-OD2 2.6Å; R777-D1147 PolarHBondContact NE-OD2 3.36Å; R777-D1147 IonicContact NH2-OD1 3.48Å; R777-D1147 PolarHBondContact NH2-OD1 3.4Å; R777-D1147 IonicContact NH2-OD2 3.42Å; R777-D1147 PolarHBondContact NH2-OD2 3.46Å
778S79.3Confident79.9Confident10 Ų1021 Ų217%0.0711%0.112CC..Hα-helixtrans-77.6-20.7179.661.40000115.6L476 A477 C581 A774 A775 L776L476-S778 CarbonylContact C-O 3.44Å; L476-S778 VanDerWaalsContact CB-O 3.31Å; L476-S778 WeakPolarHBondContact CB-O 3.42Å; A477-S778 WeakPolarHBondContact CA-O 3.19Å; A477-S778 PolarHBondContact N-O 3.3Å; A477-S778 VanDerWaalsContact N-O 3.08Å; C581-S778 VanDerWaalsContact CB-OG 3.23Å; C581-S778 WeakPolarHBondContact CB-OG 3.29Å; C581-S778 PolarHBondContact SG-OG 2.97Å; C581-S778 VanDerWaalsContact SG-OG 3.33Å; A774-S778 WeakPolarHBondContact O-CB 3.36Å; A774-S778 PolarHBondContact O-N 2.98Å; A774-S778 PolarHBondContact O-OG 3.27Å; A774-S778 VanDerWaalsContact O-OG 3.05Å; A775-S778 WeakPolarHBondContact CA-OG 3.3Å; A775-S778 PolarHBondContact O-N 3.34Å; A775-S778 PolarHBondContact O-OG 3.14Å; L776-S778 VanDerWaalsContact C-N 3.26Å; L776-S778 PolarHBondContact O-N 3.03Å
779N81.7Confident80.6Confident4 Ų420.4 Ų20.42%0.02111%0.109CC..THydrogen-bonded Turntrans-102.916.2179.2-65.7-74.5000112.5L476 R479 C581 S585 A775 L776 Y781L476-N779 WeakPolarHBondContact O-CA 3.48Å; R479-N779 PolarHBondContact NE-O 2.95Å; C581-N779 PolarHBondContact O-ND2 3.31Å; S585-N779 VanDerWaalsContact CB-CG 3.41Å; S585-N779 VanDerWaalsContact CB-ND2 3.34Å; S585-N779 WeakPolarHBondContact CB-ND2 3.34Å; S585-N779 WeakPolarHBondContact CB-OD1 3.13Å; A775-N779 PolarHBondContact O-N 3.1Å; A775-N779 PolarHBondContact O-ND2 2.69Å; L776-N779 PolarHBondContact O-N 3.26Å; L776-N779 VanDerWaalsContact O-N 3.13Å; N779-Y781 HydrophobicContact CB-CD2 4.05Å; N779-Y781 HydrophobicContact CB-CE2 4.4Å; N779-Y781 WeakPolarHBondContact O-CD2 3.44Å
780G78Confident80.9Confident34 Ų3420.8 Ų20.835%0.35111%0.112SC..THydrogen-bonded Turntrans84.51.2176.300000116L776 L782L776-G780 PolarHBondContact O-N 3.3Å; G780-L782 VanDerWaalsContact C-N 3.27Å; G780-L782 PolarHBondContact O-N 3.27Å
781Y81.4Confident81.1Confident43 Ų4324.7 Ų24.717%0.16913%0.129CC..  trans-83.462.9-178.6-72.1-94.3000111.8R479 P586 D587 L776 N779 Q784 A785R479-Y781 VanDerWaalsContact CZ-OH 3.23Å; R479-Y781 PolarHBondContact NH1-OH 3.33Å; R479-Y781 VanDerWaalsContact NH2-CE2 3.34Å; R479-Y781 PolarHBondContact NH2-OH 3.23Å; P586-Y781 HydrophobicContact CG-CD2 3.9Å; P586-Y781 HydrophobicContact CG-CE1 4.07Å; P586-Y781 HydrophobicContact CG-CE2 3.25Å; P586-Y781 WeakPolarHBondContact CG-OH 3.19Å; D587-Y781 PolarHBondContact OD1-OH 2.89Å; D587-Y781 WeakPolarHBondContact OD2-CE2 3.35Å; D587-Y781 PolarHBondContact OD2-OH 3.48Å; L776-Y781 HydrophobicContact CD2-CG 4.06Å; L776-Y781 PolarHBondContact O-N 3.39Å; N779-Y781 HydrophobicContact CB-CD2 4.05Å; N779-Y781 HydrophobicContact CB-CE2 4.4Å; N779-Y781 WeakPolarHBondContact O-CD2 3.44Å; Y781-Q784 VanDerWaalsContact CA-OE1 3.27Å; Y781-Q784 PolarHBondContact O-OE1 3.08Å; Y781-A785 WeakPolarHBondContact O-CB 3.36Å; Y781-A785 PolarHBondContact O-N 2.79Å
782L78.2Confident81.2Confident71 Ų7124.8 Ų24.837%0.37213%0.129SC..Hα-helixtrans-68.5-43.3-169.2-66176.7000114R777 G780 A785 L786 W1168R777-L782 HydrophobicContact CG-CD2 4.26Å; G780-L782 VanDerWaalsContact C-N 3.27Å; G780-L782 PolarHBondContact O-N 3.27Å; L782-A785 PolarHBondContact O-N 2.76Å; L782-L786 WeakPolarHBondContact O-CB 3.36Å; L782-L786 PolarHBondContact O-N 2.72Å; L782-W1168 HydrophobicContact CB-CH2 3.81Å; L782-W1168 HydrophobicContact CB-CZ2 3.97Å; L782-W1168 HydrophobicContact CD1-CH2 4.25Å; L782-W1168 HydrophobicContact CD1-CZ2 4.18Å
783S72.2Confident81.2Confident35 Ų3524.6 Ų24.625%0.24513%0.129CC..Hα-helixtrans-66.3-42.9-18053.40000111.4L786 Q787S783-L786 PolarHBondContact O-N 2.81Å; S783-Q787 WeakPolarHBondContact O-CG 3.34Å; S783-Q787 PolarHBondContact O-N 3.34Å
784Q80.6Confident81Confident54 Ų5427.7 Ų27.725%0.25214%0.143SC..Hα-helixtrans-69.1-39.1178.5-52.482.33.500111.5W678 L681 L776 Y781 L786 L788W678-Q784 HydrophobicContact CH2-CB 3.71Å; W678-Q784 HydrophobicContact CH2-CG 4.24Å; W678-Q784 HydrophobicContact CZ3-CB 3.78Å; W678-Q784 HydrophobicContact CZ3-CG 3.85Å; L681-Q784 HydrophobicContact CD2-CB 4.3Å; L776-Q784 HydrophobicContact CD1-CB 4.43Å; Y781-Q784 VanDerWaalsContact CA-OE1 3.27Å; Y781-Q784 PolarHBondContact O-OE1 3.08Å; Q784-L786 VanDerWaalsContact C-N 3.32Å; Q784-L786 PolarHBondContact O-N 3.16Å; Q784-L788 WeakPolarHBondContact O-CB 3.46Å; Q784-L788 PolarHBondContact O-N 2.93Å; Q784-L788 VanDerWaalsContact O-N 3.09Å
785A84.2Confident80.7Confident0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-59.5-42.117200000111.9L776 R777 Y781 L782 A789L776-A785 HydrophobicContact CB-CB 3.67Å; R777-A785 HydrophobicContact CB-CB 4.16Å; Y781-A785 WeakPolarHBondContact O-CB 3.36Å; Y781-A785 PolarHBondContact O-N 2.79Å; L782-A785 PolarHBondContact O-N 2.76Å; A785-A789 WeakPolarHBondContact O-CB 3.42Å; A785-A789 PolarHBondContact O-N 2.98Å
786L84.2Confident80.3Confident15 Ų1531.3 Ų31.38%0.07916%0.156CC..Hα-helixtrans-69.7-44.5-179.7-178.757.8000112.3L782 S783 Q784 L788 A789 V790 L1145 A1148 M1171 Y1177L782-L786 WeakPolarHBondContact O-CB 3.36Å; L782-L786 PolarHBondContact O-N 2.72Å; S783-L786 PolarHBondContact O-N 2.81Å; Q784-L786 VanDerWaalsContact C-N 3.32Å; Q784-L786 PolarHBondContact O-N 3.16Å; L786-L788 PolarHBondContact O-N 3.19Å; L786-A789 WeakPolarHBondContact O-CB 3.44Å; L786-A789 PolarHBondContact O-N 3.16Å; L786-V790 HydrophobicContact CD1-CG2 4.14Å; L786-V790 WeakPolarHBondContact O-CG2 3.2Å; L786-V790 PolarHBondContact O-N 3.47Å; L786-L1145 HydrophobicContact CD1-CD2 4.19Å; L786-A1148 HydrophobicContact CD1-CB 3.5Å; L786-A1148 VanDerWaalsContact CD1-CB 3.5Å; L786-A1148 HydrophobicContact CD2-CB 3.63Å; L786-A1148 HydrophobicContact CG-CB 4.19Å; L786-M1171 HydrophobicContact CD2-CE 3.64Å; L786-Y1177 HydrophobicContact CD1-CD1 4.1Å; L786-Y1177 HydrophobicContact CD1-CE1 3.9Å; L786-Y1177 HydrophobicContact CD2-CE1 4.13Å; L786-Y1177 HydrophobicContact CG-CE1 4.26Å
787Q80.5Confident79.8Confident75 Ų7532.6 Ų32.635%0.3516%0.162SC..Hα-helixtrans-58.5-48176-72.5166.6-20.100111.2L681 S783 A789 V790 F791L681-Q787 HydrophobicContact CD1-CB 4.14Å; S783-Q787 WeakPolarHBondContact O-CG 3.34Å; S783-Q787 PolarHBondContact O-N 3.34Å; Q787-A789 PolarHBondContact O-N 2.92Å; Q787-V790 PolarHBondContact O-N 3.46Å; Q787-F791 WeakPolarHBondContact O-CB 3.42Å; Q787-F791 PolarHBondContact O-N 3.3Å
788L81.2Confident79.2Confident2 Ų236.3 Ų36.31%0.0118%0.177CC..Hα-helixtrans-62.9-41.1175.3-179.160.9000111.6W677 R772 V773 L776 Q784 L786 F791 I792W677-L788 HydrophobicContact CH2-CB 4.49Å; W677-L788 HydrophobicContact CH2-CD1 4.07Å; W677-L788 HydrophobicContact CZ2-CB 4.17Å; W677-L788 HydrophobicContact CZ2-CD1 3.75Å; W677-L788 HydrophobicContact CZ2-CG 4.44Å; R772-L788 HydrophobicContact CB-CD2 3.86Å; V773-L788 HydrophobicContact CG2-CB 4.01Å; V773-L788 HydrophobicContact CG2-CD2 3.69Å; V773-L788 HydrophobicContact CG2-CG 3.58Å; L776-L788 HydrophobicContact CD1-CD2 4.01Å; Q784-L788 WeakPolarHBondContact O-CB 3.46Å; Q784-L788 PolarHBondContact O-N 2.93Å; Q784-L788 VanDerWaalsContact O-N 3.09Å; L786-L788 PolarHBondContact O-N 3.19Å; L788-F791 PolarHBondContact O-N 2.95Å; L788-I792 HydrophobicContact CD1-CD1 3.98Å; L788-I792 HydrophobicContact CD1-CG1 4.22Å; L788-I792 HydrophobicContact CG-CD1 3.8Å; L788-I792 HydrophobicContact CG-CG1 4.49Å; L788-I792 WeakPolarHBondContact O-CB 3.23Å; L788-I792 WeakPolarHBondContact O-CD1 3.43Å; L788-I792 VanDerWaalsContact O-CG1 3.24Å; L788-I792 WeakPolarHBondContact O-CG1 3.5Å; L788-I792 PolarHBondContact O-N 3.38Å
789A85.9Confident78.5Confident0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-61.1-46.6176.500000112.4V773 A785 L786 Q787 I792 S793 L1141 C1144V773-A789 HydrophobicContact CG1-CB 4.01Å; V773-A789 HydrophobicContact CG2-CB 4.21Å; A785-A789 WeakPolarHBondContact O-CB 3.42Å; A785-A789 PolarHBondContact O-N 2.98Å; L786-A789 WeakPolarHBondContact O-CB 3.44Å; L786-A789 PolarHBondContact O-N 3.16Å; Q787-A789 PolarHBondContact O-N 2.92Å; A789-I792 PolarHBondContact O-N 3.5Å; A789-S793 VanDerWaalsContact O-CB 3.25Å; A789-S793 WeakPolarHBondContact O-CB 3.47Å; A789-S793 PolarHBondContact O-N 3.21Å; A789-S793 PolarHBondContact O-OG 3.44Å; A789-L1141 HydrophobicContact CB-CD1 3.71Å; A789-C1144 HydrophobicContact CB-CB 4.36Å
790V83.1Confident77.6Confident18 Ų1837 Ų3711%0.10918%0.181CC..Hα-helixtrans-63.2-43.3177173.50000110.7L786 Q787 S793 Q794 L1145 F1176 Y1177 L1180L786-V790 HydrophobicContact CD1-CG2 4.14Å; L786-V790 WeakPolarHBondContact O-CG2 3.2Å; L786-V790 PolarHBondContact O-N 3.47Å; Q787-V790 PolarHBondContact O-N 3.46Å; V790-S793 WeakPolarHBondContact O-CB 3.25Å; V790-S793 PolarHBondContact O-N 3.46Å; V790-Q794 HydrophobicContact CG1-CG 4.38Å; V790-Q794 WeakPolarHBondContact O-CG 3.38Å; V790-Q794 PolarHBondContact O-N 2.92Å; V790-L1145 HydrophobicContact CG2-CD2 4.11Å; V790-F1176 HydrophobicContact CG1-CE1 4.03Å; V790-F1176 HydrophobicContact CG1-CZ 4.13Å; V790-F1176 HydrophobicContact CG2-CE1 4.31Å; V790-Y1177 HydrophobicContact CG2-CD1 4.27Å; V790-Y1177 HydrophobicContact CG2-CE1 3.9Å; V790-L1180 HydrophobicContact CB-CD2 4.48Å; V790-L1180 HydrophobicContact CG1-CD2 4.28Å; V790-L1180 HydrophobicContact CG2-CD2 4.19Å
791F81.4Confident76.9Confident82 Ų8239.7 Ų39.736%0.3618%0.183SC..Hα-helixtrans-58.9-51.5176.7177-92.8000112.5L762 Q787 L788 S793 Q794 R795L762-F791 HydrophobicContact CD1-CD1 4.21Å; L762-F791 HydrophobicContact CD1-CE1 3.67Å; L762-F791 HydrophobicContact CD1-CZ 4.29Å; Q787-F791 WeakPolarHBondContact O-CB 3.42Å; Q787-F791 PolarHBondContact O-N 3.3Å; L788-F791 PolarHBondContact O-N 2.95Å; F791-S793 VanDerWaalsContact C-N 3.28Å; F791-S793 PolarHBondContact O-N 3.48Å; F791-Q794 PolarHBondContact O-N 3.26Å; F791-R795 PolarHBondContact O-N 3.37Å
792I80.5Confident75.9Confident4 Ų443.3 Ų43.32%0.02120%0.203CC..Hα-helixtrans-56.2-45.2176.7-70.4163.4000110.7F766 L769 V773 L788 A789 R795 L796 L1141F766-I792 HydrophobicContact CD2-CG2 3.74Å; F766-I792 HydrophobicContact CE2-CG2 3.43Å; F766-I792 VanDerWaalsContact CE2-CG2 3.43Å; L769-I792 HydrophobicContact CB-CD1 3.71Å; L769-I792 HydrophobicContact CB-CG1 4.05Å; L769-I792 WeakPolarHBondContact O-CD1 3.33Å; V773-I792 HydrophobicContact CG2-CD1 3.58Å; L788-I792 HydrophobicContact CD1-CD1 3.98Å; L788-I792 HydrophobicContact CD1-CG1 4.22Å; L788-I792 HydrophobicContact CG-CD1 3.8Å; L788-I792 HydrophobicContact CG-CG1 4.49Å; L788-I792 WeakPolarHBondContact O-CB 3.23Å; L788-I792 WeakPolarHBondContact O-CD1 3.43Å; L788-I792 VanDerWaalsContact O-CG1 3.24Å; L788-I792 WeakPolarHBondContact O-CG1 3.5Å; L788-I792 PolarHBondContact O-N 3.38Å; A789-I792 PolarHBondContact O-N 3.5Å; I792-R795 PolarHBondContact O-N 2.95Å; I792-L796 PolarHBondContact O-N 3.32Å; I792-L1141 HydrophobicContact CB-CD1 4.26Å; I792-L1141 HydrophobicContact CD1-CD1 4.5Å; I792-L1141 HydrophobicContact CG2-CD1 4.11Å; I792-L1141 HydrophobicContact CG2-CD2 3.88Å
793S82.5Confident74.8Confident0 Ų043.8 Ų43.80%020%0.202CC..Hα-helixtrans-64.2-43.2-179-59.50000112.4A789 V790 F791 L796 L797 I1184A789-S793 VanDerWaalsContact O-CB 3.25Å; A789-S793 WeakPolarHBondContact O-CB 3.47Å; A789-S793 PolarHBondContact O-N 3.21Å; A789-S793 PolarHBondContact O-OG 3.44Å; V790-S793 WeakPolarHBondContact O-CB 3.25Å; V790-S793 PolarHBondContact O-N 3.46Å; F791-S793 VanDerWaalsContact C-N 3.28Å; F791-S793 PolarHBondContact O-N 3.48Å; S793-L796 PolarHBondContact O-N 2.96Å; S793-L797 WeakPolarHBondContact O-CG 3.36Å; S793-L797 PolarHBondContact O-N 3.18Å; S793-L797 VanDerWaalsContact O-N 3.11Å; S793-I1184 WeakPolarHBondContact OG-CD1 3.27Å
794Q78.9Confident73.9Confident65 Ų6544.4 Ų44.430%0.30420%0.204SC..Hα-helixtrans-65.2-39.8173.1-71-167.231.100111.7V790 F791 L797 R798V790-Q794 HydrophobicContact CG1-CG 4.38Å; V790-Q794 WeakPolarHBondContact O-CG 3.38Å; V790-Q794 PolarHBondContact O-N 2.92Å; F791-Q794 PolarHBondContact O-N 3.26Å; Q794-L797 PolarHBondContact O-N 3.22Å; Q794-R798 WeakPolarHBondContact O-CB 2.95Å; Q794-R798 VanDerWaalsContact O-CG 3.25Å; Q794-R798 WeakPolarHBondContact O-CG 3.3Å; Q794-R798 PolarHBondContact O-N 2.93Å
795R73.8Confident72.5Confident77 Ų7744.4 Ų44.429%0.29121%0.21SC..Hα-helixtrans-63.2-41.6177.4-172.7171.5177.2153.51.2111.8P754 F791 I792 R798 S799P754-R795 PolarHBondContact O-NH2 3.13Å; F791-R795 PolarHBondContact O-N 3.37Å; I792-R795 PolarHBondContact O-N 2.95Å; R795-R798 PolarHBondContact O-N 2.64Å; R795-S799 PolarHBondContact O-N 2.64Å
796L72.9Confident70.8Confident7 Ų749.9 Ų49.94%0.03724%0.239CC..Hα-helixtrans-57.7-50.5171-79.3-176.6000112.2Y755 F766 I792 S793 R798 S799 V800 L1141 I1184Y755-L796 HydrophobicContact CE1-CD2 4.31Å; F766-L796 HydrophobicContact CD2-CD1 4.36Å; F766-L796 HydrophobicContact CD2-CD2 3.83Å; F766-L796 HydrophobicContact CD2-CG 4.07Å; F766-L796 HydrophobicContact CE2-CD1 3.46Å; F766-L796 VanDerWaalsContact CE2-CD1 3.46Å; F766-L796 HydrophobicContact CE2-CD2 3.74Å; F766-L796 HydrophobicContact CE2-CG 3.64Å; F766-L796 HydrophobicContact CZ-CD1 3.81Å; F766-L796 HydrophobicContact CZ-CD2 4.33Å; F766-L796 HydrophobicContact CZ-CG 4.4Å; I792-L796 PolarHBondContact O-N 3.32Å; S793-L796 PolarHBondContact O-N 2.96Å; L796-R798 VanDerWaalsContact C-N 3.31Å; L796-R798 PolarHBondContact O-N 3.13Å; L796-S799 PolarHBondContact O-N 3.44Å; L796-S799 PolarHBondContact O-OG 2.62Å; L796-V800 WeakPolarHBondContact O-CG2 3.09Å; L796-V800 PolarHBondContact O-N 3.38Å; L796-L1141 HydrophobicContact CD1-CD2 4.49Å; L796-I1184 HydrophobicContact CD1-CG2 4.08Å
797L74Confident68.9Low27 Ų2751.6 Ų51.614%0.14126%0.255CS..Hα-helixtrans-67.4-33.6-176.9-67.2176.2000112S793 Q794 K801 L1180 K1183 I1232S793-L797 WeakPolarHBondContact O-CG 3.36Å; S793-L797 PolarHBondContact O-N 3.18Å; S793-L797 VanDerWaalsContact O-N 3.11Å; Q794-L797 PolarHBondContact O-N 3.22Å; L797-K801 WeakPolarHBondContact O-CB 3.34Å; L797-K801 WeakPolarHBondContact O-CG 3.49Å; L797-K801 PolarHBondContact O-N 3.12Å; L797-L1180 HydrophobicContact CD1-CD1 3.68Å; L797-K1183 HydrophobicContact CD1-CB 4.17Å; L797-K1183 HydrophobicContact CD1-CD 4.07Å; L797-K1183 HydrophobicContact CD2-CB 4.14Å; L797-I1232 HydrophobicContact CD2-CD1 4.19Å
798R68.9Low67Low140 Ų14050.4 Ų50.453%0.52826%0.258SS..Hα-helixtrans-66.4-44.3171.7-68.6174.2-161.7-164.58.9111.7Q794 R795 L796 V800 K801 M802Q794-R798 WeakPolarHBondContact O-CB 2.95Å; Q794-R798 VanDerWaalsContact O-CG 3.25Å; Q794-R798 WeakPolarHBondContact O-CG 3.3Å; Q794-R798 PolarHBondContact O-N 2.93Å; R795-R798 PolarHBondContact O-N 2.64Å; L796-R798 VanDerWaalsContact C-N 3.31Å; L796-R798 PolarHBondContact O-N 3.13Å; R798-V800 VanDerWaalsContact C-N 3.35Å; R798-V800 PolarHBondContact O-N 3.09Å; R798-K801 PolarHBondContact O-N 3.2Å; R798-M802 WeakPolarHBondContact O-CG 3.45Å; R798-M802 PolarHBondContact O-N 3.3Å
799S64Low65.2Low5 Ų553.4 Ų53.44%0.03528%0.276CS..Hα-helixtrans-64.2-38.7179.972.60000112.4Y755 R795 L796 K803Y755-S799 PolarHBondContact OH-OG 2.77Å; R795-S799 PolarHBondContact O-N 2.64Å; L796-S799 PolarHBondContact O-N 3.44Å; L796-S799 PolarHBondContact O-OG 2.62Å; S799-K803 PolarHBondContact O-N 2.98Å; S799-K803 VanDerWaalsContact O-N 3.09Å
800V63.6Low62.9Low24 Ų2456.2 Ų56.215%0.14530%0.296CS..Hα-helixtrans-67.4-48175.1174.90000111.3L796 R798 M802 K803 T804 L1187L796-V800 WeakPolarHBondContact O-CG2 3.09Å; L796-V800 PolarHBondContact O-N 3.38Å; R798-V800 VanDerWaalsContact C-N 3.35Å; R798-V800 PolarHBondContact O-N 3.09Å; V800-M802 PolarHBondContact O-N 3.47Å; V800-K803 PolarHBondContact O-N 2.96Å; V800-T804 HydrophobicContact CG1-CG2 4.38Å; V800-T804 PolarHBondContact O-N 3.34Å; V800-T804 PolarHBondContact O-OG1 2.95Å; V800-L1187 HydrophobicContact CB-CD1 4.43Å; V800-L1187 HydrophobicContact CG1-CD1 4.08Å; V800-L1187 HydrophobicContact CG2-CD1 3.55Å; V800-L1187 HydrophobicContact CG2-CD2 3.66Å; V800-L1187 HydrophobicContact CG2-CG 4.23Å
801K63.5Low60.7Low90 Ų9060.4 Ų60.439%0.39132%0.317SS..Hα-helixtrans-58.1-37.6178.9-75.2-172.6-179.8-158.60112L797 R798 T804 S805 E1231L797-K801 WeakPolarHBondContact O-CB 3.34Å; L797-K801 WeakPolarHBondContact O-CG 3.49Å; L797-K801 PolarHBondContact O-N 3.12Å; R798-K801 PolarHBondContact O-N 3.2Å; K801-T804 WeakPolarHBondContact CA-OG1 3.35Å; K801-T804 PolarHBondContact O-N 3.43Å; K801-T804 PolarHBondContact O-OG1 2.73Å; K801-S805 PolarHBondContact O-N 3.26Å; K801-S805 PolarHBondContact O-OG 3.11Å; K801-E1231 IonicContact NZ-OE1 3.77Å; K801-E1231 PolarHBondContact NZ-OE1 2.93Å
802M59.8Low58.6Low119 Ų11961 Ų6159%0.58632%0.323SS*.Hα-helixtrans-65.5-43.5172-68.4-64.2-17700113.1R798 V800 T804 S805 L806R798-M802 WeakPolarHBondContact O-CG 3.45Å; R798-M802 PolarHBondContact O-N 3.3Å; V800-M802 PolarHBondContact O-N 3.47Å; M802-T804 PolarHBondContact O-N 3.07Å; M802-S805 WeakPolarHBondContact CA-OG 3.24Å; M802-S805 PolarHBondContact O-N 3.33Å; M802-S805 PolarHBondContact O-OG 3.35Å; M802-L806 WeakPolarHBondContact O-CB 3.41Å; M802-L806 WeakPolarHBondContact O-CD1 3.43Å; M802-L806 VanDerWaalsContact O-CG 3.27Å; M802-L806 WeakPolarHBondContact O-CG 3.28Å; M802-L806 PolarHBondContact O-N 3.35Å
803K54.3Low56.4Low81 Ų8165.6 Ų65.635%0.35235%0.347SS..Hα-helixtrans-63.4-39.8175.5-72.6-163.3-179.6-157.80112.2S799 V800 A807 H1125S799-K803 PolarHBondContact O-N 2.98Å; S799-K803 VanDerWaalsContact O-N 3.09Å; V800-K803 PolarHBondContact O-N 2.96Å; K803-A807 WeakPolarHBondContact O-CB 3.33Å; K803-A807 PolarHBondContact O-N 3.48Å; K803-A807 VanDerWaalsContact O-N 3.1Å; K803-H1125 PolarHBondContact NZ-NE2 2.75Å
804T54.8Low54.1Low47 Ų4771.3 Ų71.329%0.28838%0.378SS..Hα-helixtrans-69.2-37.4176.651.90000112.7V800 K801 M802 A808 Q1235V800-T804 HydrophobicContact CG1-CG2 4.38Å; V800-T804 PolarHBondContact O-N 3.34Å; V800-T804 PolarHBondContact O-OG1 2.95Å; K801-T804 WeakPolarHBondContact CA-OG1 3.35Å; K801-T804 PolarHBondContact O-N 3.43Å; K801-T804 PolarHBondContact O-OG1 2.73Å; M802-T804 PolarHBondContact O-N 3.07Å; T804-A808 PolarHBondContact O-N 3.18Å; T804-Q1235 WeakPolarHBondContact CG2-O 3.31Å
805S51.4Low51.9Low55 Ų5573.7 Ų73.739%0.38540%0.397SS..Hα-helixtrans-70.6-39.1176.659.70000112.1K801 M802 A807 A808 T809K801-S805 PolarHBondContact O-N 3.26Å; K801-S805 PolarHBondContact O-OG 3.11Å; M802-S805 WeakPolarHBondContact CA-OG 3.24Å; M802-S805 PolarHBondContact O-N 3.33Å; M802-S805 PolarHBondContact O-OG 3.35Å; S805-A807 VanDerWaalsContact C-N 3.35Å; S805-A807 PolarHBondContact O-N 2.57Å; S805-A808 PolarHBondContact O-N 3.43Å; S805-T809 PolarHBondContact O-N 2.83Å; S805-T809 PolarHBondContact O-OG1 3.11Å; S805-T809 VanDerWaalsContact O-OG1 3.07Å
806L47.9Very low49.8Very low115 Ų11577.2 Ų77.260%0.60242%0.416SS*.Hα-helixtrans-60.8-43.8174.7-74.7166.2000111.5M802 A808 T809 S810M802-L806 WeakPolarHBondContact O-CB 3.41Å; M802-L806 WeakPolarHBondContact O-CD1 3.43Å; M802-L806 VanDerWaalsContact O-CG 3.27Å; M802-L806 WeakPolarHBondContact O-CG 3.28Å; M802-L806 PolarHBondContact O-N 3.35Å; L806-A808 PolarHBondContact O-N 3.37Å; L806-T809 WeakPolarHBondContact CA-OG1 3.34Å; L806-T809 PolarHBondContact O-N 2.85Å; L806-T809 PolarHBondContact O-OG1 2.67Å; L806-S810 PolarHBondContact O-N 3.05Å; L806-S810 PolarHBondContact O-OG 3.44Å
807A43.9Very low47.6Very low51 Ų5187.4 Ų87.442%0.42145%0.454SS..Hα-helixtrans-63-37.5174.500000113K803 S805 S810 I811K803-A807 WeakPolarHBondContact O-CB 3.33Å; K803-A807 PolarHBondContact O-N 3.48Å; K803-A807 VanDerWaalsContact O-N 3.1Å; S805-A807 VanDerWaalsContact C-N 3.35Å; S805-A807 PolarHBondContact O-N 2.57Å; A807-S810 WeakPolarHBondContact CA-OG 3.36Å; A807-S810 PolarHBondContact O-OG 2.84Å; A807-I811 WeakPolarHBondContact O-CG1 3.36Å; A807-I811 PolarHBondContact O-N 3.46Å
808A41.4Very low45.2Very low49 Ų4991 Ų9141%0.40548%0.481SS..Hα-helixtrans-67.7-43.4174.400000112.1T804 S805 L806 I811 I812T804-A808 PolarHBondContact O-N 3.18Å; S805-A808 PolarHBondContact O-N 3.43Å; L806-A808 PolarHBondContact O-N 3.37Å; A808-I811 PolarHBondContact O-N 3.32Å; A808-I812 WeakPolarHBondContact O-CG1 3.37Å; A808-I812 PolarHBondContact O-N 3.4Å
809T42.8Very low43.4Very low66 Ų6689.8 Ų89.841%0.40549%0.492SS..Hα-helixtrans-70.3-30.2179.449.70000113.6S805 L806 I811 I812 N813S805-T809 PolarHBondContact O-N 2.83Å; S805-T809 PolarHBondContact O-OG1 3.11Å; S805-T809 VanDerWaalsContact O-OG1 3.07Å; L806-T809 WeakPolarHBondContact CA-OG1 3.34Å; L806-T809 PolarHBondContact O-N 2.85Å; L806-T809 PolarHBondContact O-OG1 2.67Å; T809-I811 VanDerWaalsContact C-N 3.31Å; T809-I812 PolarHBondContact O-N 3.13Å; T809-N813 WeakPolarHBondContact O-CB 3.42Å; T809-N813 PolarHBondContact O-N 3.33Å
810S37.1Very low41.7Very low59 Ų5995.5 Ų95.541%0.41353%0.529SS..Hα-helixtrans-67.4-32.4171.153.10000112.5L806 A807 N814L806-S810 PolarHBondContact O-N 3.05Å; L806-S810 PolarHBondContact O-OG 3.44Å; A807-S810 WeakPolarHBondContact CA-OG 3.36Å; A807-S810 PolarHBondContact O-OG 2.84Å; S810-N814 WeakPolarHBondContact O-CB 3.49Å; S810-N814 VanDerWaalsContact O-CG 3.3Å; S810-N814 PolarHBondContact O-N 3.07Å; S810-N814 VanDerWaalsContact O-N 3.13Å; S810-N814 PolarHBondContact O-ND2 3.18Å
811I37.2Very low40Very low106 Ų106101.7 Ų101.754%0.54456%0.556SS.*Hα-helixtrans-68.9-46.5173.8-67.7166.1000109.9A807 A808 T809 N813 N814 V815A807-I811 WeakPolarHBondContact O-CG1 3.36Å; A807-I811 PolarHBondContact O-N 3.46Å; A808-I811 PolarHBondContact O-N 3.32Å; T809-I811 VanDerWaalsContact C-N 3.31Å; I811-N813 PolarHBondContact O-N 2.92Å; I811-N814 PolarHBondContact O-N 3.23Å; I811-V815 HydrophobicContact CG2-CG2 4.28Å; I811-V815 WeakPolarHBondContact O-CB 3.37Å; I811-V815 WeakPolarHBondContact O-CG2 3.29Å; I811-V815 PolarHBondContact O-N 3.23Å
812I37.5Very low38.4Very low95 Ų95103.8 Ų103.849%0.48758%0.577SS.*Hα-helixtrans-58.5-47.8177.4-65.6166.7000110.9A808 T809 N814 V815 Q816A808-I812 WeakPolarHBondContact O-CG1 3.37Å; A808-I812 PolarHBondContact O-N 3.4Å; T809-I812 PolarHBondContact O-N 3.13Å; I812-N814 VanDerWaalsContact C-N 3.28Å; I812-N814 PolarHBondContact O-N 3.43Å; I812-V815 PolarHBondContact O-N 3Å; I812-V815 VanDerWaalsContact O-N 3.15Å; I812-Q816 VanDerWaalsContact O-CB 3.27Å; I812-Q816 WeakPolarHBondContact O-CB 3.44Å; I812-Q816 PolarHBondContact O-N 3.08Å
813N34.5Very low36.7Very low99 Ų99105.9 Ų105.953%0.52958%0.583SS.*Hα-helixtrans-66.8-25179.4-74.2-15.8000114.1T809 I811T809-N813 WeakPolarHBondContact O-CB 3.42Å; T809-N813 PolarHBondContact O-N 3.33Å; I811-N813 PolarHBondContact O-N 2.92Å
814N33.8Very low35.4Very low120 Ų120106.8 Ų106.864%0.64260%0.599SS**Hα-helixtrans-85.6-23.5173.4-74.4-10.1000113S810 I811 I812S810-N814 WeakPolarHBondContact O-CB 3.49Å; S810-N814 VanDerWaalsContact O-CG 3.3Å; S810-N814 PolarHBondContact O-N 3.07Å; S810-N814 VanDerWaalsContact O-N 3.13Å; S810-N814 PolarHBondContact O-ND2 3.18Å; I811-N814 PolarHBondContact O-N 3.23Å; I812-N814 VanDerWaalsContact C-N 3.28Å; I812-N814 PolarHBondContact O-N 3.43Å
815V33.8Very low34Very low116 Ų116109.5 Ų109.570%0.70362%0.62SS**Hα-helixtrans-80.8-23.3170.9170.80000111.4I811 I812I811-V815 HydrophobicContact CG2-CG2 4.28Å; I811-V815 WeakPolarHBondContact O-CB 3.37Å; I811-V815 WeakPolarHBondContact O-CG2 3.29Å; I811-V815 PolarHBondContact O-N 3.23Å; I812-V815 PolarHBondContact O-N 3Å; I812-V815 VanDerWaalsContact O-N 3.15Å
816Q29.4Very low32.9Very low150 Ų150115 Ų11570%0.70164%0.64SS**SBendtrans-102.424.3-177.7-153.3164.63.800113.5I812I812-Q816 VanDerWaalsContact O-CB 3.27Å; I812-Q816 WeakPolarHBondContact O-CB 3.44Å; I812-Q816 PolarHBondContact O-N 3.08Å
817R26.2Very low31.9Very low222 Ų222115.3 Ų115.384%0.83865%0.646SS**  trans-129.765.5172.3-81.2-168.1170.7-156.9-1.8112.8
818S24.5Very low31Very low101 Ų101117.8 Ų117.871%0.70666%0.66SS**  trans-109.9124.1157.253.40000108.6
819P30.3Very low30.1Very low116 Ų116127.7 Ų127.775%0.75369%0.687SS**  trans-75.3147.2-174.630.8-35.1000112.2
820P28.5Very low29.3Very low124 Ų124131 Ų13181%0.80570%0.703SS**  trans-77.8148.9169.133.4-33.9000110.9
821Q26.5Very low28.9Very low154 Ų154135.7 Ų135.772%0.7272%0.723SS**  trans-140.6146.7163.2-77.7-151.415.900112.1
822T31Very low28.4Very low135 Ų135137.9 Ų137.983%0.82874%0.736SS**  trans-139140.917246.60000108.7
823F24.2Very low27.7Very low163 Ų163139.2 Ų139.272%0.71575%0.752SS**  trans-73.4171.9178.9-64.4-101.6000111H834F823-H834 AromaticContact CZ-ND1 3.76Å
824S26.4Very low27.2Very low100 Ų100140.3 Ų140.370%0.69975%0.754SS**  cis-155.4150.725.9-530000115.5
825S25.3Very low27.1Very low103 Ų103139.2 Ų139.272%0.7275%0.753SS**  trans46.4114.8139.962.80000122.6
826H28.8Very low26.8Very low172 Ų172141.6 Ų141.680%0.79676%0.762SS**  -163132.7112.5-120.7-92.8000113.2
827T26Very low26.5Very low121 Ų121141 Ų14174%0.74276%0.764SS**  trans59143.9160.940.40000122.9
828S25.9Very low26.4Very low102 Ų102137.2 Ų137.271%0.71376%0.759SS**  trans58.492.3159.950.20000121.1
829W21.9Very low26.4Very low257 Ų257138.7 Ų138.797%0.97376%0.763SS**  trans53.1104.3132.5-56.89.8000117.1
830N26.9Very low26.1Very low136 Ų136137.4 Ų137.473%0.72776%0.762SS**  -147163.859.8-157.2-9.9000111.7N832N830-N832 PolarHBondContact O-N 3.37Å
831N28.7Very low25.9Very low157 Ų157143 Ų14384%0.8477%0.768SS**  trans-81.499.2-157.1-74.5-26.8000115.3
832N26.3Very low25.8Very low152 Ų152145.6 Ų145.681%0.81377%0.77SS**  trans-43.7147.6167.2-58.3-56000115N830N830-N832 PolarHBondContact O-N 3.37Å
833C22.8Very low25.6Very low123 Ų123146.7 Ų146.783%0.83177%0.768SS**  trans-80.1138.9145.4-69.10000109.4
834H23.9Very low25.6Very low122 Ų122144.7 Ų144.757%0.56576%0.764SS**  trans-152.1149.9147.5-132.1-111.5000110.8F823F823-H834 AromaticContact CZ-ND1 3.76Å
835P31.8Very low25.5Very low97 Ų97148.8 Ų148.863%0.6377%0.77SS**  trans-110.2-178.5-163.741.5-33000113.5
836N27.7Very low25.5Very low167 Ų167150.8 Ų150.889%0.89377%0.772SS**  trans-154.8150.9139.8-103.4-27.8000113.1
837D23.7Very low25.5Very low138 Ų138147.1 Ų147.174%0.73876%0.762SS**  trans-76160-155.1-106.7-34.4000120
838I24Very low26.3Very low141 Ų141146.6 Ų146.672%0.72376%0.761SS**  trans61.6124.3141.8-58.9160.1000120.9
839V24Very low26.7Very low133 Ų133143.6 Ų143.681%0.80674%0.739SS**  174.8126.7120.8156.50000113.3
840A23.8Very low27.1Very low88 Ų88136.2 Ų136.273%0.72772%0.719SS**  trans41.6131.1150.100000126.7
841R24.9Very low27.2Very low243 Ų243133.1 Ų133.192%0.91772%0.719SS**  trans4139.2140.4-53.6179.3179.9-164.72120.7
842R24.5Very low27.3Very low207 Ų207134.1 Ų134.178%0.78172%0.718SS**  153.3129.4101.8-177-172.7-81.2-162.4-2.3111.5N1262R842-N1262 PolarHBondContact O-ND2 2.91Å; R842-N1262 PolarHBondContact O-OD1 3.39Å
843M25.6Very low27.3Very low158 Ų158131.8 Ų131.878%0.77871%0.71SS**  trans-50.8153.5-173.1-78.9-154.9-164.200119.1N1262M843-N1262 WeakPolarHBondContact CA-OD1 3.47Å
844L24.3Very low27.5Very low121 Ų121133.3 Ų133.363%0.63471%0.709SS**  trans88.3151.7148.5-79.2165.8000122.4N1262L844-N1262 PolarHBondContact N-ND2 3.36Å
845F24.4Very low27.8Very low186 Ų186138.2 Ų138.282%0.81672%0.723SS**  trans79.1164.6172.2-66.8-70.5000120.9
846N25.7Very low27.7Very low145 Ų145139.4 Ų139.478%0.77573%0.728SS**  trans-125148.9-136.5-99.4-2000116.2
847T28.6Very low27.7Very low96 Ų96138.6 Ų138.659%0.58972%0.723SS**  trans71.6128.5152.956.40000121.8
848P43Very low28Very low109 Ų109134.3 Ų134.371%0.70871%0.712SS**  trans-102.5168.3170.241.6-35.4000113.2
849P33.4Very low28.2Very low40 Ų40136.7 Ų136.726%0.2672%0.723SS.*  trans-134.6148.7154.8-10.134.4000120.6N1445 R1446P849-N1445 HydrophobicContact CB-CB 3.66Å; P849-N1445 WeakPolarHBondContact CB-ND2 3.47Å; P849-N1445 HydrophobicContact CG-CB 3.79Å; P849-R1446 HydrophobicContact CB-CB 4.1Å; P849-R1446 HydrophobicContact CB-CG 3.97Å; P849-R1446 HydrophobicContact CG-CB 3.74Å; P849-R1446 HydrophobicContact CG-CG 3.68Å; P849-R1446 PolarHBondContact O-NE 3.18Å; P849-R1446 VanDerWaalsContact O-NE 3.16Å; P849-R1446 PolarHBondContact O-NH2 3.29Å
850N30.5Very low28.4Very low102 Ų102135.5 Ų135.555%0.54572%0.72SS.*  trans67143.3137.7-57.612.4000121.4N1445 R1446N850-N1445 PolarHBondContact OD1-ND2 2.88Å; N850-R1446 PolarHBondContact O-NH2 2.95Å
851G29.4Very low28.7Very low71 Ų71136.3 Ų136.373%0.73272%0.72SS**  trans-160.1162.3165.200000109.8
852Q30.5Very low28.8Very low177 Ų177132.1 Ų132.183%0.82771%0.711SS**  trans-172.2172.9-171.5-102.8-178.7-10000109.5
853T27Very low29.1Very low104 Ų104128.3 Ų128.364%0.63871%0.706SS**  cis175.6154.5-36.136.60000105.5
854L26.2Very low29.3Very low154 Ų154126.8 Ų126.881%0.80671%0.705SS**  cis-160.9-1572.4-128.4171.6000107.6
855R31.2Very low29.5Very low226 Ų226129.4 Ų129.485%0.85372%0.717SS**  trans81.7146.1175.7-56.5179.4-179.3-115.92.1113.9
856V30.1Very low29.7Very low121 Ų121128.9 Ų128.973%0.73372%0.716SS**  cis-150.7162.1-17.7-99.90000106.5
857N28.1Very low29.8Very low150 Ų150127.9 Ų127.980%0.80271%0.711SS**  cis-141.4177.45.2-135.63.5000108.6
858G29.6Very low29.6Very low49 Ų49126.7 Ų126.751%0.50571%0.707SS.*  cis177.9-158.73.400000113.4S860G858-S860 PolarHBondContact O-N 2.99Å
859M28.3Very low28.9Very low191 Ų191123 Ų12394%0.94169%0.688SS**  trans-24.5104.7173.3-59.1171.880.300114.2
860S27.3Very low28.7Very low108 Ų108124.3 Ų124.376%0.75570%0.698SS**  cis-150.1-168.71561.20000110.2G858G858-S860 PolarHBondContact O-N 2.99Å
861S29.8Very low28.5Very low105 Ų105124.4 Ų124.473%0.73469%0.691SS**  cis-160.6-145.226.4-1570000114.1
862H28.6Very low28.5Very low154 Ų154130.6 Ų130.671%0.71369%0.694SS**  trans-69.1144.8-164.6-93.6-80000119.8
863N29.3Very low28.3Very low128 Ų128129.2 Ų129.268%0.68469%0.691SS**  trans76.5112.2143.4-61.4-6.4000119.1
864V29.7Very low28.2Very low126 Ų126129.3 Ų129.376%0.76470%0.696SS**  89.7128.364.7161.60000111.1
865M28.7Very low28.1Very low176 Ų176127.4 Ų127.487%0.86770%0.696SS**  cis-150-177.722.2-147.9162.5162.200115.8
866H29.9Very low28.5Very low174 Ų174121.9 Ų121.981%0.80669%0.689SS**  trans-93.3-173.5-174.2-82.1-141.6000115.7
867N26Very low28.2Very low124 Ų124123.5 Ų123.566%0.66369%0.693SS**  cis172.6154.1-42.3-167.49.2000112.8
868S26.1Very low28.1Very low72 Ų72124.9 Ų124.950%0.50370%0.697SS.*  trans83.3169.8143.573.40000124.5N1442S868-N1442 PolarHBondContact O-ND2 3.42Å
869G28.2Very low28.8Very low31 Ų31127.6 Ų127.632%0.3271%0.706SS.*  trans-98.7-132.2-157.500000117.6N1442 P1443 S1444G869-N1442 WeakPolarHBondContact O-CA 3.48Å; G869-N1442 WeakPolarHBondContact O-CB 3.37Å; G869-N1442 PolarHBondContact O-OD1 2.98Å; G869-N1442 VanDerWaalsContact O-OD1 3.04Å; G869-P1443 VanDerWaalsContact O-CA 3.31Å; G869-P1443 WeakPolarHBondContact O-CA 3.36Å; G869-S1444 VanDerWaalsContact CA-OG 3.29Å; G869-S1444 WeakPolarHBondContact CA-OG 3.45Å
870S27.7Very low28.8Very low67 Ų67124.3 Ų124.347%0.46970%0.699SS.*  trans-165.3161.2-176.9-171.40000116.3S1444S870-S1444 VanDerWaalsContact CA-N 3.25Å; S870-S1444 VanDerWaalsContact N-N 3.12Å; S870-S1444 PolarHBondContact N-OG 2.97Å
871R27.5Very low28.8Very low105 Ų105124.1 Ų124.140%0.39670%0.698SS.*  trans168.3147.9152.1-100.6178.4-72.2-170.71.3119.3N1445R871-N1445 PolarHBondContact NH2-OD1 2.95Å
872Y29.8Very low28.8Very low200 Ų200124.5 Ų124.578%0.78470%0.697SS**  trans72.2160.1146-66.4-23.7000122.1
873L25.3Very low28.5Very low149 Ų149121.4 Ų121.478%0.7869%0.693SS**  cis-158.8170.913.4-130.5158000113.9
874S24.3Very low28.4Very low105 Ų105123.6 Ų123.673%0.73470%0.701SS**  trans88167.3153.8-62.70000123.7
875S24.5Very low28.4Very low115 Ų115124.5 Ų124.580%0.80470%0.7SS**  trans-155.1-172.2-173.5-40.40000109.9
876P40.8Very low28.6Very low109 Ų109121.4 Ų121.471%0.70869%0.694SS**  cis-131.7156.2-29.437.8-22.4000115
877N24Very low28.5Very low155 Ų155119.3 Ų119.383%0.82969%0.689SS**  trans165.2146.1140-95.3-22.7000115.1
878M25.9Very low28.7Very low180 Ų180122.2 Ų122.289%0.88770%0.698SS**  trans58.3159.2159.5-68.2-158.981.100121.3
879P42.7Very low28.9Very low106 Ų106121.9 Ų121.969%0.68871%0.706SS**  trans-105.3-172-172.644.6-36.2000112.2
880P28.7Very low28.9Very low122 Ų122129 Ų12979%0.79273%0.728SS**  cis-133.4-166.2439.7-18.9000115.1
881S26.8Very low29.1Very low104 Ų104134.4 Ų134.473%0.72774%0.743SS**  trans-70.7164.6158.4-46.80000111.1
882P30.5Very low29.1Very low112 Ų112134.4 Ų134.473%0.72776%0.759SS**  cis-144.7-175.922.239.8-17.6000117.6
883S22.2Very low29.3Very low90 Ų90130.3 Ų130.363%0.62976%0.757SS**  trans44.1124145.564.90000122.5
884M26.9Very low29.5Very low173 Ų173128.5 Ų128.585%0.85276%0.757SS**  179.1150.9107.8-95.7-70.7111.900111.7
885I30.1Very low29.9Very low145 Ų145130 Ų13074%0.74476%0.757SS**  trans-115.3149.9174.7-40.3175.7000107.5
886P33Very low30.1Very low111 Ų111134.7 Ų134.772%0.72176%0.757SS**  -146.4119.212332.5-14.8000116.4
887N27.4Very low29.4Very low131 Ų131136.6 Ų136.670%0.70176%0.76SS**  60.6160.3126.7-63.1-26.8000124.3
888H30.5Very low29.6Very low185 Ų185134.7 Ų134.786%0.85675%0.754SS**  trans89.3116.9166.3-56.6-87.1000117.9
889G31Very low29.6Very low65 Ų65131.3 Ų131.367%0.6775%0.749SS**  cis142.9143.7-26.500000117.3
890K27.9Very low29.2Very low181 Ų181131.6 Ų131.679%0.78775%0.75SS**  trans70157168.8-46.4173.1-175.7175.10114.5
891F31.5Very low29Very low179 Ų179137 Ų13779%0.78576%0.755SS**  cis-129.8158.53-68.7-103.7000108.5
892S26.8Very low29.3Very low106 Ų106138.1 Ų138.174%0.74176%0.759SS**  cis69.8154.235.9-58.80000115.2
893P34.6Very low29.2Very low114 Ų114137.2 Ų137.274%0.7476%0.762SS**  cis-110.5161.5-6.538.8-26.3000112.4
894S30.3Very low29.5Very low110 Ų110138.3 Ų138.377%0.76977%0.769SS**  -172.7173.669.8-57.80000110.2
895N31.2Very low29.5Very low137 Ų137138.4 Ų138.473%0.73377%0.772SS**  cis-133.4-117.43-165.40.5000111.9
896R30Very low29.4Very low214 Ų214136.7 Ų136.781%0.80877%0.773SS**  trans-140.4140.9-173.8-63.2-178.1-170.3-143.3-0.9109
897L25.8Very low29.7Very low148 Ų148136.6 Ų136.678%0.77577%0.772SS**  cis72.9139.242.7-54.3168.7000110.7
898T27Very low29.8Very low115 Ų115136.5 Ų136.571%0.70678%0.779SS**  cis-171.5156.312.7-0.70000114.8
899S27Very low29.6Very low110 Ų110133.6 Ų133.677%0.76977%0.774SS**  trans72.3169.3136.5-83.80000122.9
900P35.3Very low29.4Very low111 Ų111136.8 Ų136.872%0.72178%0.776SS**  trans-141.6-164-144.643.1-21.7000116.9
901R24.2Very low29.3Very low237 Ų237133.7 Ų133.789%0.89477%0.772SS**  trans79.1129.7146.1-150.1179.8-159.3-153.34.8118.6
902P33.2Very low29.1Very low126 Ų126129.9 Ų129.982%0.81876%0.763SS**  trans-112150.4179.739.6-32.2000115.5
903A26.8Very low29.2Very low94 Ų94132.2 Ų132.278%0.77776%0.762SS**  trans-177.7148.2149.100000109.3
904S28.9Very low28.9Very low112 Ų112134 Ų13478%0.78376%0.76SS**  cis179.2119.2-40.645.10000108.3
905L27.6Very low28.7Very low175 Ų175133.7 Ų133.792%0.91676%0.758SS**  trans-146.8159.5172.3-90.9168.4000110
906S27.4Very low28.3Very low110 Ų110138.4 Ų138.477%0.76977%0.766SS**  trans-163.2180-166.7-450000110.7
907P39.7Very low28.6Very low108 Ų108133.8 Ų133.870%0.70176%0.763SS**  cis-121.2-153.6-2137.8-19.1000110.9
908P29.2Very low28.6Very low129 Ų129133.1 Ų133.184%0.83877%0.765SS**  -141.2-176.4110.540.2-27.9000115.5
909V26.5Very low28.4Very low124 Ų124132.4 Ų132.475%0.75277%0.765SS**  trans-116.5150.6-171.1175.50000107.9
910N25.7Very low28.4Very low132 Ų132132.9 Ų132.971%0.70676%0.763SS**  176.2148.479.4-154.32.2000113.7
911V27.2Very low27.8Very low117 Ų117138.1 Ų138.171%0.70977%0.768SS**  trans48159.6161.9-82.40000121.1
912T27.7Very low27.8Very low98 Ų98136 Ų13660%0.60176%0.76SS**  cis-156.6147.89.7-4.50000111.5
913H28.3Very low27.6Very low155 Ų155138.6 Ų138.672%0.71876%0.761SS**  trans57.8159.6153.3-57.1-47.9000120
914H27.5Very low27.5Very low151 Ų151137.5 Ų137.570%0.69976%0.758SS**  cis-157.9146.9-26-112-43.8000111.3
915S26.4Very low27.8Very low104 Ų104140.4 Ų140.473%0.72776%0.764SS**  trans57.8142.3137.1-52.40000124.2
916R23.6Very low27.8Very low237 Ų237137.5 Ų137.589%0.89476%0.759SS**  trans-71.8-176.9153.9-47.6172.5168.7174.5-5.2110
917P35.5Very low28.1Very low117 Ų117137.5 Ų137.576%0.7676%0.756SS**  cis-135.7-158.5-4.735.1-12000113.7
918V26.6Very low27.6Very low134 Ų134139.8 Ų139.881%0.81276%0.763SS**  trans129.3144.5147.3178.20000115.8
919S23.3Very low27.6Very low99 Ų99139.1 Ų139.169%0.69276%0.761SS**  trans-62.9144.9-172-59.70000118.8
920V25.4Very low27.6Very low121 Ų121140.6 Ų140.673%0.73376%0.764SS**  80.8130.2128167.50000120.9
921R23.6Very low28Very low221 Ų221139.2 Ų139.283%0.83476%0.763SS**  trans84.6133.1153.3-90.9167.3-165.9-174.54.9121.7
922R24.4Very low28.5Very low193 Ų193139.1 Ų139.173%0.72877%0.768SS**  101.4132.5129.4-91.3-179169.9-155.5-2.7119.7
923H28.5Very low28.7Very low180 Ų180140.3 Ų140.383%0.83378%0.777SS**  trans47.8126.9155.6-47.5-57.1000118.3
924G24.9Very low28.7Very low70 Ų70136.1 Ų136.172%0.72278%0.776SS**  cis112.1118.1-0.200000113
925L34.7Very low29.2Very low173 Ų173135.6 Ų135.691%0.90679%0.786SS**  trans-157.2132.4163.8-105.5170.6000108.6
926S27.9Very low29.2Very low114 Ų114135.3 Ų135.380%0.79778%0.784SS**  trans-146.1147.1170.3-55.60000108.5
927P33.7Very low29.4Very low110 Ų110129.4 Ų129.471%0.71478%0.778SS**  -138.2160.6125.933.1-19.9000110.6
928N29.2Very low28.9Very low157 Ų157129.8 Ų129.884%0.8478%0.778SS**SBendcis-153.2164.1-11.5-95.6-21.7000105.4
929S28.6Very low28.9Very low115 Ų115130.2 Ų130.280%0.80478%0.776SS**  cis-134.1155.3839.40000111.8
930N28Very low29.1Very low154 Ų154132.5 Ų132.582%0.82478%0.775SS**  trans-114.1-159.6-176.4-135.1-2.6000107.4
931P33.2Very low29.1Very low104 Ų104135 Ų13568%0.67578%0.779SS**  cis-133.8166.9-429.2-6.2000117
932S38.1Very low29.2Very low115 Ų115129 Ų12980%0.80477%0.771SS**  trans-104.1146.5141.8-54.30000109.2
933P31.5Very low29.4Very low122 Ų122126.7 Ų126.779%0.79277%0.771SS**  trans-145.4158.5149.136.8-20.8000116.4
934G28.6Very low29.4Very low68 Ų68125.6 Ų125.670%0.70177%0.77SS**  trans-125.4-161.1146.700000108.5
935P38.2Very low29.7Very low139 Ų139129.1 Ų129.190%0.90377%0.771SS**  cis-124.9-1153.538.8-19.4000113
936S26.5Very low29.5Very low98 Ų98127.1 Ų127.169%0.68576%0.761SS**  trans-107.6164.8-154.3550000117.4
937C26.4Very low29.7Very low114 Ų114127.6 Ų127.677%0.7776%0.755SS**  trans77.8135.3168.1-53.70000115.7
938T26.8Very low29.6Very low124 Ų124128.7 Ų128.776%0.76175%0.754SS**  cis-159.5163.9-2.33.70000110.8
939N25.6Very low29.8Very low144 Ų144127 Ų12777%0.7775%0.746SS**  trans74.1122.6171.4-72.9-3.6000120.6
940H26.8Very low30.1Very low147 Ų147128.3 Ų128.368%0.68174%0.743SS**  trans51.7118142.5-77.6-103.7000122.6
941Q26Very low30.3Very low174 Ų174126.3 Ų126.381%0.81374%0.742SS**  trans66.1137.8138.8-69.2164.2-16.800118
942S26.1Very low30.1Very low95 Ų95127.2 Ų127.266%0.66475%0.75SS**  cis-164.7138.2-0.650.90000113.9
943I28.6Very low29.6Very low144 Ų144125.4 Ų125.474%0.73875%0.75SS**  trans73.3112.1131.3-66.9173.6000120.3
944I29Very low29.3Very low157 Ų157125.3 Ų125.381%0.80575%0.752SS**  trans72129.2146-67.5174.1000116
945I30.3Very low29.1Very low144 Ų144127.3 Ų127.374%0.73876%0.755SS**  -147.8144.551.5-62.4172.1000114.2
946N30.8Very low28.4Very low131 Ų131128.3 Ų128.370%0.70175%0.753SS**  trans62.7106154.8-69.4-12.7000126.4
947N31.6Very low28.3Very low124 Ų124128.6 Ų128.666%0.66376%0.755SS**  64.5121.7104.2-63.3-12.3000125.5
948N32.4Very low28.3Very low132 Ų132128 Ų12871%0.70675%0.752SS**  68.1139.4129.6-56.5-10.1000120.3
949N33.1Very low28.2Very low123 Ų123129 Ų12966%0.65875%0.753SS**  cis-148.5132.4-4.1-97.8-28.6000107.7
950N35.4Very low28.3Very low141 Ų141128.7 Ų128.775%0.75475%0.751SS**  59.7129.984.3-79-28.9000116
951S32.6Very low28.4Very low113 Ų113128.1 Ų128.179%0.7975%0.753SS**  cis-163.2164.7-8.944.20000111.7
952S27.1Very low28.6Very low122 Ų122126 Ų12685%0.85375%0.747SS**  trans-145.5175.4-174.866.10000111.8
953G27.4Very low28.9Very low77 Ų77127.1 Ų127.179%0.79475%0.751SS**  trans92138.7146.100000117.8
954S25.5Very low28.9Very low121 Ų121124.2 Ų124.285%0.84674%0.743SS**  trans-98.4146166.7-55.20000110.6
955S25.4Very low28.8Very low110 Ų110123.3 Ų123.377%0.76974%0.74SS**  178.4151.9129.438.40000113.3
956N24.2Very low28.6Very low159 Ų159123.1 Ų123.185%0.8574%0.74SS**  trans13.9147.8144.6-50.5-11000119.6
957S24.3Very low28.4Very low105 Ų105121.8 Ų121.873%0.73474%0.741SS**  cis-156.6163.919.758.90000114.5
958S24.9Very low28.3Very low101 Ų101123 Ų12371%0.70675%0.748SS**  trans18.9136.9141.4-46.30000122.6
959N26.3Very low28.1Very low145 Ų145123.5 Ų123.578%0.77575%0.75SS**  trans82.2117151.8-64.42.9000120.7
960N26.8Very low27.7Very low137 Ų137124.3 Ų124.373%0.73375%0.754SS**  trans54.591.4136.9-57.24.1000119.6
961N29.1Very low27.1Very low135 Ų135122.3 Ų122.372%0.72275%0.75SS**  -172.7128.892.2-92.4-30.3000109.5
962N29.8Very low26.7Very low129 Ų129128.8 Ų128.869%0.6976%0.758SS**  58.8131.486.7-71.1-10.1000112.4
963T31.9Very low26.6Very low120 Ų120128.3 Ų128.374%0.73676%0.755SS**  cis175.7166.1-0.723.80000105.8
964S28.8Very low26.4Very low82 Ų82131.9 Ų131.957%0.57376%0.756SS**  cis-179.3162.3-20.854.50000109.3
965N27.4Very low26.3Very low138 Ų138135.4 Ų135.474%0.73876%0.759SS**  trans103.7141.7148.4-62.2-26000117.5
966N26.1Very low26.6Very low141 Ų141135.2 Ų135.275%0.75476%0.755SS**  cis-144.9170.45.2-142.3-25.3000113.1
967S27.3Very low26.6Very low103 Ų103132.5 Ų132.572%0.7275%0.748SS**  trans79.1148.9172.680.10000119.1
968N29.5Very low26.6Very low149 Ų149138 Ų13880%0.79776%0.755SS**  trans78131.6179.5-69.8-33.2000120.2
969N26.5Very low26.7Very low143 Ų143139.5 Ų139.577%0.76576%0.759SS**  trans86.6123.4161-63.2-14.4000121.4
970N25Very low26.6Very low139 Ų139141.8 Ų141.874%0.74376%0.758SS**  trans82.3105142.3-65.3-4.5000121.8
971C24Very low26.4Very low99 Ų99143.8 Ų143.867%0.66976%0.76SS**  59.8135114.1-68.50000122.7
972W22.8Very low26Very low249 Ų249141.8 Ų141.894%0.94376%0.757SS**  trans73.5121.4148.6-57.5-9.7000118.2
973S25.1Very low25.9Very low113 Ų113143.1 Ų143.179%0.7977%0.77SS**  trans-147.9144.6141.656.90000109.7
974N24.8Very low25.6Very low152 Ų152142.4 Ų142.481%0.81377%0.77SS**  trans-161.391.1134.9-119.1-13.8000110.9
975Q22.8Very low25.4Very low195 Ų195143.8 Ų143.891%0.91178%0.778SS**  trans-128.1132.4142.2-86.6-163.6-27.500106.8
976P30.3Very low25.3Very low106 Ų106145 Ų14569%0.68878%0.779SS**  trans-126.4138.916535.8-23.9000112.7
977S24.3Very low25.2Very low102 Ų102143.6 Ų143.671%0.71377%0.768SS**  162.5156125.9-73.50000113.6
978Y25.3Very low25.1Very low221 Ų221147.7 Ų147.787%0.86777%0.769SS**  trans80126.6178.3-56.4-73000117.1
979V27Very low25Very low131 Ų131146 Ų14679%0.79476%0.764SS**  cis-156.5178.6-19.597.40000111.8
980Y23.7Very low25.2Very low193 Ų193144.6 Ų144.676%0.75776%0.757SS**  trans-72155.8-168-95.1-80.9000119.4
981K22.4Very low25.4Very low179 Ų179144.8 Ų144.878%0.77875%0.753SS**  trans63.8156.8144.3-83.6164.1178.9179.50119.9
982S21.5Very low25.7Very low94 Ų94145 Ų14566%0.65776%0.755SS**  cis-179.9124.2-30.8510000111.9
983T27.7Very low25.9Very low156 Ų156138.8 Ų138.896%0.95774%0.737SS**  trans-169.1172.8163.512.30000112.3
984S24.4Very low26.5Very low106 Ų106138.6 Ų138.674%0.74173%0.733SS**  trans-137.7-178.2-173.557.20000114.2
985C25.7Very low26.7Very low110 Ų110140.4 Ų140.474%0.74373%0.734SS**  trans82.3131.2-173.9-56.70000114.1
986Q25.3Very low26.9Very low164 Ų164135.4 Ų135.477%0.76672%0.721SS**  cis95.2142.938.2-82.2-162.6-4500113.9
987Q24.8Very low26.7Very low112 Ų112135.6 Ų135.652%0.52372%0.724SS.*  cis-173.6167.2-24.6-147.5169-11.700111.6
988Y24.6Very low26.9Very low189 Ų189136 Ų13674%0.74172%0.724SS**  trans69.9162.3152.9-68.2-48000122.1
989V28.1Very low26.8Very low112 Ų112133 Ų13368%0.67972%0.718SS**  cis-173.2-177.4-37.988.60000113.4
990N30.1Very low26.7Very low115 Ų115131.6 Ų131.662%0.61571%0.713SS**  trans90.3149.4159.9-91.6-12000119.7
991Q28.5Very low26.7Very low142 Ų142127.8 Ų127.866%0.66472%0.715SS**  cis-151.4146.68.6-153.3162.646.900117.5H993Q991-H993 VanDerWaalsContact CG-CD2 3.49Å; Q991-H993 WeakPolarHBondContact CG-CD2 3.46Å; Q991-H993 VanDerWaalsContact CG-NE2 3.33Å; Q991-H993 WeakPolarHBondContact CG-NE2 3.46Å
992S31.3Very low27.1Very low103 Ų103124.5 Ų124.572%0.7271%0.712SS**  trans155.5143156.541.20000110.5
993H26.8Very low27.4Very low119 Ų119127.4 Ų127.455%0.55172%0.718SS**  cis80.1142.3-12-27.2-25.8000117.8Q991Q991-H993 VanDerWaalsContact CG-CD2 3.49Å; Q991-H993 WeakPolarHBondContact CG-CD2 3.46Å; Q991-H993 VanDerWaalsContact CG-NE2 3.33Å; Q991-H993 WeakPolarHBondContact CG-NE2 3.46Å
994P38.1Very low28Very low110 Ų110125.3 Ų125.371%0.71471%0.707SS**  cis-120.9178-9.736.2-18000113
995F28Very low28.2Very low190 Ų190125.5 Ų125.583%0.83371%0.706SS**SBendcis-139.4152.819.1-79.1-110.8000108.3
996S27.5Very low28.1Very low90 Ų90124.2 Ų124.263%0.62970%0.703SS**  cis-154.6118.7-10.8-81.60000106.3
997S24.9Very low28.1Very low109 Ų109121.3 Ų121.376%0.76270%0.701SS**  92.514578.2-66.20000113.3
998P28.9Very low28.2Very low111 Ų111123.4 Ų123.472%0.72171%0.714SS**  cis-138.1148.8-14.637.1-18.1000117.3
999H23.6Very low28.3Very low158 Ų158118.8 Ų118.873%0.73171%0.71SS**  trans45.1128.6136.2-75.8-78.2000125.9
1000C23.8Very low28.3Very low102 Ų102118.8 Ų118.869%0.68971%0.712SS**  79.3135.7123.5-73.20000124.7
1001S23.7Very low28Very low113 Ų113119 Ų11979%0.7972%0.717SS**  trans79.5163.5136.2-66.40000119.4
1002P31.4Very low27.8Very low110 Ų110117 Ų11771%0.71472%0.719SS**  trans-108.4165.1-15440.5-34.6000116.5
1003I28.6Very low27.6Very low155 Ų155121.3 Ų121.380%0.79573%0.725SS**  trans12.2129.6145.6-49.9173.6000117.1
1004P40.8Very low27.5Very low111 Ų111122.7 Ų122.772%0.72173%0.731SS**  cis-133.2-133.1-28.842-20.9000107.7
1005P27.8Very low27Very low110 Ų110124 Ų12471%0.71473%0.732SS**  cis-122.7173.8-38.139-24.4000114.1
1006A22.8Very low27.3Very low84 Ų84118.9 Ų118.969%0.69472%0.718SS**  trans34.2127.9141.700000123.4
1007S25.4Very low27.4Very low103 Ų103121.1 Ų121.172%0.7271%0.714SS**  trans67.3125.3130.966.50000122.2
1008I27.4Very low28Very low156 Ų156123 Ų12380%0.871%0.711SS**  -164.5110120.6-93.8147.7000104.2
1009S25.8Very low27.8Very low92 Ų92119.7 Ų119.764%0.64369%0.689SS**  75.2152.956.986.70000112.6
1010P29.5Very low27.9Very low111 Ų111117 Ų11772%0.72168%0.684SS**  cis-143.2-174.319.944.8-26000117
1011V24.1Very low28Very low119 Ų119116.3 Ų116.372%0.72168%0.676SS**  trans47.797153.3174.60000117.3
1012S23.9Very low28.2Very low102 Ų102115.9 Ų115.971%0.71367%0.67SS**  83.1157.485.4-59.30000115.8
1013F27.2Very low28Very low192 Ų192117.1 Ų117.184%0.84267%0.67SS**  trans69.4154.6-170-63-93.2000116.2
1014H25.3Very low28.3Very low148 Ų148116 Ų11669%0.68566%0.661SS**  cis-174145.6-48.7-133.2-67.7000107.6
1015N26.5Very low27.5Very low137 Ų137119.4 Ų119.473%0.73367%0.667SS**  trans63.8164.2159.1-72.63.8000117.6
1016P34Very low27.3Very low83 Ų83118.7 Ų118.754%0.53966%0.657SS.*  -139.2-176.8-57.840.9-24.2000113.5
1017Y30.6Very low27.4Very low137 Ų137123.8 Ų123.854%0.53766%0.66SS.*  trans87.5175.7163.1-45.6157.7000118.2H1033 T1034Y1017-H1033 WeakPolarHBondContact CB-ND1 2.94Å; Y1017-H1033 HydrophobicContact CD1-CB 3.74Å; Y1017-H1033 AromaticContact CD1-CG 3.9Å; Y1017-H1033 AromaticContact CD1-ND1 3.53Å; Y1017-H1033 HydrophobicContact CG-CB 4.06Å; Y1017-H1033 AromaticContact CG-ND1 3.98Å; Y1017-T1034 HydrophobicContact CD2-CG2 3.2Å; Y1017-T1034 VanDerWaalsContact CD2-OG1 3.27Å; Y1017-T1034 WeakPolarHBondContact CD2-OG1 3.39Å; Y1017-T1034 HydrophobicContact CE2-CG2 3.88Å; Y1017-T1034 HydrophobicContact CG-CG2 3.74Å
1018Q36.2Very low27.4Very low149 Ų149126.5 Ų126.570%0.69666%0.661SS**  trans-143.3-66.9-138.2-179.1-16817.100121.6
1019P25.4Very low27.4Very low42 Ų42126.7 Ų126.727%0.27366%0.656SS.*  trans-96.3176.4-145-10.831.2000119.7P1032P1019-P1032 WeakPolarHBondContact O-CA 3.4Å; P1019-P1032 VanDerWaalsContact O-CG 3.28Å; P1019-P1032 WeakPolarHBondContact O-CG 3.37Å
1020T26.5Very low27.5Very low102 Ų102129.6 Ų129.663%0.62666%0.659SS**  trans14.2144.5152.763.70000120.5I1031T1020-I1031 CarbonylContact O-C 3.56Å; T1020-I1031 VanDerWaalsContact O-C 3.26Å
1021T25Very low27.8Very low86 Ų86128.8 Ų128.853%0.52865%0.648SS.*  cis-140.4153.12942.30000109.8
1022T27.8Very low28Very low105 Ų105125.7 Ų125.764%0.64463%0.63SS**  cis67.8105.946.1700000116.4
1023N27Very low28.2Very low136 Ų136126.1 Ų126.173%0.72762%0.621SS**  trans65.5165.8168.8-47.3-29.8000114.3
1024H34.5Very low28.1Very low132 Ų132119.3 Ų119.361%0.61159%0.594SS**  cis-133.3169.85-77.7-95.3000110.9
1025H25.4Very low28.1Very low182 Ų182118.3 Ų118.384%0.84359%0.594SS**SBendtrans-99.4106.2138.2-12038.2000107.8
1026N23.1Very low28.1Very low95 Ų95116.4 Ų116.451%0.50859%0.592SS.*SBendcis-130.9153.9-19.1-73.3-68000105.9
1027Y24Very low28.3Very low191 Ų191117.2 Ų117.275%0.74960%0.597SS**  -163.2163.658.2-94.8-97.2000111.5
1028H25.4Very low28.1Very low159 Ų159121.1 Ų121.174%0.73661%0.612SS**  trans67.1114.6163-79.7-60.3000121.6
1029K27.9Very low27.6Very low160 Ų160119.5 Ų119.570%0.69662%0.617SS**  trans75.1124.3136.7-71.4-172.9176.4-177.70120.3
1030H29.1Very low27.5Very low153 Ų153123.4 Ų123.471%0.70865%0.645SS**  38.3147110.7-65.7-49.1000118.9
1031I35.2Very low27.9Very low95 Ų95124.1 Ų124.149%0.48765%0.651SS.*  cis-177.2178.1-2.8-118.7169.7000106T1020T1020-I1031 CarbonylContact O-C 3.56Å; T1020-I1031 VanDerWaalsContact O-C 3.26Å
1032P27.9Very low28.4Very low53 Ų53125.8 Ų125.834%0.34466%0.663SS.*  trans-50.4-178.9162.6-29.136.7000115.6P1019P1019-P1032 WeakPolarHBondContact O-CA 3.4Å; P1019-P1032 VanDerWaalsContact O-CG 3.28Å; P1019-P1032 WeakPolarHBondContact O-CG 3.37Å
1033H27.5Very low29Very low112 Ų112126.1 Ų126.152%0.51967%0.667SS.*  cis-161.9125.442.3-60.1-100.5000112.1Y1017Y1017-H1033 WeakPolarHBondContact CB-ND1 2.94Å; Y1017-H1033 HydrophobicContact CD1-CB 3.74Å; Y1017-H1033 AromaticContact CD1-CG 3.9Å; Y1017-H1033 AromaticContact CD1-ND1 3.53Å; Y1017-H1033 HydrophobicContact CG-CB 4.06Å; Y1017-H1033 AromaticContact CG-ND1 3.98Å
1034T26.2Very low29.3Very low48 Ų48124.2 Ų124.229%0.29466%0.662SS.*  trans63.3178.5150.828.80000119.8Y1017Y1017-T1034 HydrophobicContact CD2-CG2 3.2Å; Y1017-T1034 VanDerWaalsContact CD2-OG1 3.27Å; Y1017-T1034 WeakPolarHBondContact CD2-OG1 3.39Å; Y1017-T1034 HydrophobicContact CE2-CG2 3.88Å; Y1017-T1034 HydrophobicContact CG-CG2 3.74Å
1035N25.4Very low29.1Very low127 Ų127127 Ų12768%0.67968%0.675SS**  cis-145.9-176.54.2-136.9-22.5000114.8
1036S26.6Very low29.3Very low98 Ų98121.5 Ų121.569%0.68567%0.667SS**  trans-90.9-165.4176.5-158.50000113.2
1037P37.7Very low29.6Very low100 Ų100126 Ų12665%0.64969%0.689SS**  -117.2-179.7-94.941.1-27.3000114.4
1038Y26.3Very low29.8Very low218 Ų218120.3 Ų120.386%0.85569%0.689SS**  trans171.3153.5134.6-103.7-70.6000115
1039S25.9Very low29.9Very low115 Ų115118.2 Ų118.280%0.80469%0.693SS**  trans77.9169.2148.5-66.70000122.4
1040C23.7Very low29.9Very low125 Ų125114 Ų11485%0.84568%0.683SS**  trans-109171.7-156.6-81.90000115.2
1041P33.4Very low29.9Very low117 Ų117110.8 Ų110.876%0.7667%0.674SS**  trans-96.9-163.4-168.444-39.1000112.2
1042P36.3Very low29.6Very low120 Ų120109 Ų10978%0.77968%0.68SS**  cis-139.5-135.311.545.4-20.7000115.5
1043P39.6Very low29.4Very low113 Ų113109.7 Ų109.773%0.73469%0.685SS**  trans-120.9-162.5-13836.5-11000114.2
1044P33.8Very low29.3Very low96 Ų96106.9 Ų106.962%0.62368%0.681SS**  -154169.996.437.3-17.2000117.9
1045H30.9Very low29.3Very low190 Ų190109.5 Ų109.588%0.8869%0.693SS**  trans66144.1169.8-45.4-70.7000118.5
1046G29.8Very low29.3Very low66 Ų66106.9 Ų106.968%0.6870%0.696SS**  cis165.5134.7-14.200000115.3
1047I29.6Very low29.3Very low189 Ų189107.1 Ų107.197%0.96970%0.698SS**  trans70.7132.9161.3-49.9170.2000117.4
1048G28.7Very low28.9Very low72 Ų72106.9 Ų106.974%0.74270%0.699SS**  trans137.268.4152.700000118.8
1049S27.4Very low29.1Very low116 Ų116102 Ų10281%0.81169%0.687SS**  trans-71.6158.3156.5-25.90000110
1050S27.9Very low29.1Very low70 Ų70101.7 Ų101.749%0.4968%0.676SS.*  cis-157.7-127-9.217.50000108.6D634D634-S1050 VanDerWaalsContact CB-OG 3.24Å; D634-S1050 WeakPolarHBondContact CB-OG 3.28Å; D634-S1050 WeakPolarHBondContact OD2-CB 3.42Å; D634-S1050 PolarHBondContact OD2-OG 3.25Å
1051V27.9Very low29.5Very low86 Ų86102.5 Ų102.552%0.52167%0.673SS.*  trans54.999.1162.8176.30000119.1D634 V635D634-V1051 HydrophobicContact CB-CB 3.91Å; D634-V1051 WeakPolarHBondContact OD2-CG2 3.45Å; V635-V1051 HydrophobicContact CB-CB 4.05Å; V635-V1051 HydrophobicContact CB-CG1 3.86Å; V635-V1051 HydrophobicContact CG1-CB 4.34Å; V635-V1051 HydrophobicContact CG1-CG1 3.78Å; V635-V1051 HydrophobicContact CG2-CG1 4.32Å; V635-V1051 WeakPolarHBondContact O-CA 3.44Å
1052G28.5Very low29.5Very low59 Ų59104.9 Ų104.961%0.60868%0.677SS**  trans-102.2-85.6171.500000117V635V635-G1052 PolarHBondContact O-N 2.74Å
1053C24.9Very low29Very low67 Ų67106.2 Ų106.245%0.45368%0.675SS.*  trans88.2115.9-171.4-90.40000117.1V635 G637 Q638V635-C1053 HydrophobicContact CG1-CB 3.87Å; V635-C1053 WeakPolarHBondContact CG1-SG 3.21Å; G637-C1053 CarbonylContact O-C 3.5Å; G637-C1053 WeakPolarHBondContact O-CA 3.3Å; G637-C1053 WeakPolarHBondContact O-CB 3.45Å; G637-C1053 PolarHBondContact O-SG 3.34Å; Q638-C1053 HydrophobicContact CG-CB 4.11Å
1054A25.2Very low28.4Very low52 Ų52106.4 Ų106.443%0.4367%0.667SS.*  trans-93.4-127.9-162.800000116.9G637 Q638G637-A1054 PolarHBondContact O-N 3.06Å; Q638-A1054 WeakPolarHBondContact CB-O 3.31Å; Q638-A1054 WeakPolarHBondContact CG-O 3.15Å; Q638-A1054 PolarHBondContact NE2-O 3.42Å
1055N25Very low28.2Very low103 Ų103107.6 Ų107.655%0.55167%0.666SS**  trans3.7122.4178.1-47.3-20.5000122.6Q638Q638-N1055 HydrophobicContact CB-CB 3.8Å; Q638-N1055 WeakPolarHBondContact CB-O 3.45Å; Q638-N1055 WeakPolarHBondContact O-CB 3.48Å; Q638-N1055 PolarHBondContact O-ND2 2.94Å
1056G25.6Very low28.3Very low73 Ų73106.1 Ų106.175%0.75366%0.661SS**  trans81.2-177.6138.700000117.3
1057S26.8Very low28.1Very low102 Ų102111.5 Ų111.571%0.71367%0.669SS**  cis-159.4146.7-9.7-174.50000109.6
1058S29.8Very low28.2Very low96 Ų96107.2 Ų107.267%0.67165%0.653SS**  trans61.3166.6169.170.40000115.3
1059N30.1Very low28.2Very low114 Ų114108.1 Ų108.161%0.6165%0.648SS**  cis-140.7162.78.9-67.7-88.2000110.2
1060N26.6Very low28.5Very low109 Ų109110.2 Ų110.258%0.58365%0.645SS**  -164.7143.5117.1-96.7-22.5000110.3M1064 M1065N1060-M1064 WeakPolarHBondContact CB-O 3.25Å; N1060-M1064 PolarHBondContact ND2-O 3.32Å; N1060-M1065 PolarHBondContact ND2-O 3.46Å
1061N30.8Very low28.5Very low143 Ų143114 Ų11477%0.76565%0.654SS**SBendtrans-99.5114.3-168.3-67.7-62.2000111.2
1062I35.5Very low28.6Very low166 Ų166116.3 Ų116.385%0.85166%0.663SS**SBendtrans60.8117.2-176.6-51.9174.1000111.2
1063M24.4Very low28.4Very low148 Ų148124.4 Ų124.473%0.72968%0.676SS**SBendtrans64.1165.1-174.7-105.2159.853.500114.4
1064M27.2Very low28.4Very low117 Ų117126 Ų12658%0.57669%0.688SS**  trans46.2112.4150.9-64.6-173.117600122.5N1060N1060-M1064 WeakPolarHBondContact CB-O 3.25Å; N1060-M1064 PolarHBondContact ND2-O 3.32Å
1065M29.2Very low28.5Very low122 Ų122130.4 Ų130.460%0.60170%0.702SS**  78.1122.1120.2-63.8173.3-172.800121.7N1060N1060-M1065 PolarHBondContact ND2-O 3.46Å
1066M33.2Very low28.6Very low158 Ų158132.8 Ų132.878%0.77872%0.715SS**  68.3111.9128.2-61.2-177.917800122.3
1067H25.1Very low28.6Very low180 Ų180134.5 Ų134.583%0.83372%0.715SS**  16.5162.8100.1-80.7-89.5000119.8
1068P32.1Very low28.6Very low99 Ų99135.3 Ų135.364%0.64372%0.719SS**  cis-144.3-172.6-24.439.1-19.4000115.8
1069S28.6Very low28.5Very low91 Ų91136.7 Ų136.764%0.63672%0.723SS**  trans75.3167.7148.5-57.70000119.5
1070H33.8Very low28.5Very low160 Ų160136.2 Ų136.274%0.74173%0.726SS**  cis-147.4169.13.9-106.8-43.7000112.8
1071H28.6Very low28.4Very low148 Ų148137.9 Ų137.969%0.68573%0.734SS**  trans-6.4158.7147-66.2-55.5000121.3
1072N29.7Very low28.3Very low135 Ų135137.1 Ų137.172%0.72273%0.73SS**  cis-161.6-179.54.9-119.6-12.1000114.1
1073R25.1Very low27.9Very low230 Ų230138.9 Ų138.987%0.86873%0.725SS**  trans-42.9155.6161.4-62.6177.4-176.4-165.7-1113.5
1074S24.5Very low28Very low100 Ų100139.2 Ų139.270%0.69973%0.725SS**  cis-172.5-170.5-3.644.10000109.3
1075I26.3Very low28Very low145 Ų145138.8 Ų138.874%0.74473%0.729SS**  trans97.7131.2167.6-55.9165.9000116
1076N26.7Very low27.8Very low152 Ų152139.6 Ų139.681%0.81373%0.734SS**  trans48.6125.2160.9-61.7-6.5000122.7
1077S26.4Very low27.7Very low109 Ų109137.6 Ų137.676%0.76274%0.736SS**  trans-60.2151.7145.153.60000111.4
1078P27.5Very low27.6Very low120 Ų120137.2 Ų137.278%0.77973%0.727SS**  cis-146.2-178.247.640.5-19.9000117.8
1079T28Very low27.7Very low124 Ų124138 Ų13876%0.76173%0.732SS**  trans-67.8168.3166.956.80000112.7
1080P29.4Very low27.4Very low104 Ų104140.2 Ų140.268%0.67573%0.73SS**  cis-152.2167.625.443.8-22.5000121
1081I25.1Very low27.4Very low145 Ų145138.3 Ų138.374%0.74473%0.732SS**  trans42.4127.1135.8-57.3164.8000122.2
1082N28.1Very low27.2Very low127 Ų127135.1 Ų135.168%0.67973%0.726SS**  trans163.4153.2132.7-88.6-45.8000110.4
1083R27.3Very low27Very low202 Ų202134.1 Ų134.176%0.76273%0.73SS**  cis-165.2142.4-15.3-120.4174.6-169.8177.24.6108.5
1084H26.7Very low27.1Very low155 Ų155133.7 Ų133.772%0.71873%0.73SS**  65.8151.8104.7-79.24.9000116.5
1085V27.1Very low27.8Very low109 Ų109134.1 Ų134.166%0.66173%0.731SS**  cis-167.8147.112.8104.90000114.9
1086I25.5Very low27.7Very low139 Ų139134.6 Ų134.671%0.71374%0.74SS**  trans50.9136.5145.2-66.6164.9000123.9
1087S29.8Very low27.8Very low116 Ų116134.4 Ų134.481%0.81174%0.739SS**  -162156.2117-79.50000113.8
1088R24.2Very low28.1Very low171 Ų171134.3 Ų134.365%0.64574%0.736SS**  trans-145.4178.9-172.7-54.3172.493.4-1668.1111
1089P33.2Very low28Very low116 Ų116135.5 Ų135.575%0.75374%0.736SS**  -141.2-161.58444.9-29.9000111.7
1090F23Very low27.9Very low138 Ų138135.6 Ų135.661%0.60574%0.736SS**  cis82.6160.5-3.8-82.7-116.6000118.9
1091P33.4Very low27.6Very low119 Ų119139.8 Ų139.877%0.77374%0.744SS**  cis-107.3-178.3-12.640.3-27.8000112.5
1092S24.2Very low27.7Very low81 Ų81136.6 Ų136.657%0.56675%0.747SS**  cis100.289.3-4.783.70000121.3
1093S26.5Very low27.7Very low115 Ų115134 Ų13480%0.80475%0.75SS**  trans-160.5155.8158.856.50000111.7
1094Y25.5Very low27.5Very low220 Ų220133.1 Ų133.186%0.86376%0.755SS**  cis-172.8178.9-24.8-100.4-49.7000106.4
1095P39Very low27.4Very low110 Ų110133.7 Ų133.771%0.71476%0.756SS**  trans-126.2164.9-145.142.8-29.4000118.7
1096T25.6Very low27.2Very low154 Ų154136.7 Ų136.795%0.94576%0.76SS**  trans-164.5171.6155.2140000111.2
1097N29.3Very low27.2Very low148 Ų148135.3 Ų135.379%0.79176%0.76SS**  trans-157.2125.7179.5-168.919.5000109.2
1098P32.6Very low26.9Very low107 Ų107136.6 Ų136.670%0.69576%0.756SS**  -153.1170.593.840.3-21.5000117.2
1099N25Very low27.1Very low145 Ų145134.4 Ų134.478%0.77576%0.762SS**  trans22.1139.2150.2-50.5-14.6000120.6
1100V25.7Very low26.5Very low127 Ų127137.2 Ų137.277%0.7777%0.765SS**  -166.8139.567.9156.40000113
1101F22.6Very low26.6Very low192 Ų192137.1 Ų137.184%0.84277%0.769SS**  trans17.2148.4154.3-73.9-99.3000125.4
1102G26.8Very low26Very low78 Ų78138.7 Ų138.780%0.80477%0.771SS**  trans17776.3154.700000119
1103G28.2Very low25.9Very low72 Ų72140.6 Ų140.674%0.74277%0.774SS**  trans74.2146.6164.200000117.8
1104E24.1Very low25.7Very low184 Ų184141.8 Ų141.886%0.8677%0.771SS**  cis-140.1174.9-7-74.7-160.7129.300111.3
1105F24.3Very low25.5Very low167 Ų167137.3 Ų137.373%0.73277%0.771SS**  trans-133.6169.3-175.1-61.4-69000109.9
1106F22.3Very low24.8Very low171 Ų171135.4 Ų135.475%0.7577%0.771SS**  cis-164.8-176.112.2-1303.8000107.7
1107P26.8Very low24.6Very low110 Ų110134.3 Ų134.371%0.71476%0.759SS**  cis-129.8165.7-10.938.1-21.4000115.3
1108I23.6Very low24.6Very low144 Ų144134.4 Ų134.474%0.73876%0.758SS**  trans-114141.4164-67.8165.2000107.7
1109T26.6Very low24.3Very low124 Ų124131.5 Ų131.576%0.76174%0.74SS**  177.8148.4122.930.70000110.1
1110E22.4Very low24.4Very low175 Ų175130.6 Ų130.682%0.81874%0.74SS**  cis-134.9123.71.7-154.3160-10400111
1111I23.7Very low24.4Very low136 Ų136131.5 Ų131.570%0.69774%0.74SS**  trans-108.5131.4155.4-69170.7000104.4I1113I1111-I1113 HydrophobicContact CG2-CD1 4.28Å; I1111-I1113 HydrophobicContact CG2-CG1 4.17Å
1112D20.9Very low24.8Very low153 Ų153123.7 Ų123.782%0.81871%0.709SS**  trans-139.5130.9134.8-143.3-13.7000111.2
1113I23Very low25.1Very low121 Ų121123.7 Ų123.762%0.62170%0.695SS**  trans-132.2120.3-175.1-72.3173.1000106.9I1111I1111-I1113 HydrophobicContact CG2-CD1 4.28Å; I1111-I1113 HydrophobicContact CG2-CG1 4.17Å
1114N22.8Very low25.3Very low140 Ų140122 Ų12275%0.74967%0.672SS**  trans60.9111.6178.6-53-41000114.2
1115C20.9Very low26Very low126 Ų126118.7 Ų118.785%0.85166%0.656SS**  -163.1140.778.4-87.60000113.5
1116G22.8Very low26.6Very low70 Ų70115.7 Ų115.772%0.72265%0.652SS**  trans-169.844.8179.600000112.8I1118G1116-I1118 PolarHBondContact O-N 3.1Å
1117L23.3Very low27.5Very low130 Ų130110.2 Ų110.268%0.68163%0.63SS**  trans-5998-170.5-73.9164.1000113.1R749R749-L1117 PolarHBondContact NH1-O 2.9Å
1118I28.7Very low28.5Very low151 Ų151107.3 Ų107.377%0.77461%0.61SS**  trans-100.4138.9156.2-59.4178.2000107.4G1116 T1120G1116-I1118 PolarHBondContact O-N 3.1Å; I1118-T1120 PolarHBondContact O-N 3.3Å
1119S25.6Very low30.1Very low45 Ų45100.8 Ų100.832%0.31558%0.579SS.*  trans-66.5105.7-162.7-166.50000113.8N1121S1119-N1121 PolarHBondContact O-N 2.93Å
1120T26.5Very low31.8Very low127 Ų12796.4 Ų96.478%0.77955%0.548SS*.  trans-79.90.2170.248.80000113.5I1118 C1122I1118-T1120 PolarHBondContact O-N 3.3Å; T1120-C1122 PolarHBondContact O-N 3.34Å; T1120-C1122 VanDerWaalsContact O-N 3.14Å
1121N27.4Very low33.7Very low146 Ų14688.3 Ų88.378%0.78151%0.511SS*.  trans-82.420.2-174.1-73.83.3000114.4S1119S1119-N1121 PolarHBondContact O-N 2.93Å
1122C30.7Very low35.4Very low28 Ų2882 Ų8219%0.18948%0.479CS..  trans-112.7109173.8-164.80000112.4C751 C756 T1120 S1124C751-C1122 WeakPolarHBondContact SG-CB 3.47Å; C751-C1122 PolarHBondContact SG-SG 2.63Å; C756-C1122 PolarHBondContact SG-SG 2.98Å; T1120-C1122 PolarHBondContact O-N 3.34Å; T1120-C1122 VanDerWaalsContact O-N 3.14Å; C1122-S1124 PolarHBondContact O-N 3.49Å; C1122-S1124 PolarHBondContact SG-OG 3.36Å
1123P31.9Very low37.6Very low77 Ų7775 Ų7550%0.544%0.442SS..THydrogen-bonded Turntrans-67.81.1180-22.134.6000115.8H620 H1125H620-P1123 HydrophobicContact CB-CB 3.99Å; H620-P1123 HydrophobicContact CB-CG 4.27Å; H620-P1123 PolarHBondContact CE1-O 3.41Å; H620-P1123 VanDerWaalsContact CE1-O 3.27Å; H620-P1123 PolarHBondContact ND1-O 3.29Å; P1123-H1125 VanDerWaalsContact C-N 3.28Å; P1123-H1125 PolarHBondContact O-N 3.49Å
1124S34.1Very low39.2Very low36 Ų3670 Ų7025%0.25242%0.417SS..THydrogen-bonded Turntrans-77-9.3-179.568.70000114.2C753 C756 C1122C753-S1124 PolarHBondContact SG-OG 3.21Å; C756-S1124 PolarHBondContact SG-OG 2.96Å; C1122-S1124 PolarHBondContact O-N 3.49Å; C1122-S1124 PolarHBondContact SG-OG 3.36Å
1125H37.7Very low41.1Very low116 Ų11663.5 Ų63.554%0.53738%0.383SS..SBendtrans-107.2-3.6-158.5-140.4-86.3000116.5K803 P1123K803-H1125 PolarHBondContact NZ-NE2 2.75Å; P1123-H1125 VanDerWaalsContact C-N 3.28Å; P1123-H1125 PolarHBondContact O-N 3.49Å
1126T36.4Very low43.6Very low104 Ų10458 Ų5864%0.63834%0.344SS*.SBendtrans-132.8-43.2-167.248.60000117.9
1127D42.3Very low45.9Very low55 Ų5554.7 Ų54.729%0.29431%0.31SS..SBendtrans-119.2-3-154.2-70-80.3000118.8R1194D1127-R1194 WeakPolarHBondContact OD1-CD 3.4Å; D1127-R1194 IonicContact OD1-CZ 2.8Å; D1127-R1194 IonicContact OD1-NE 2.75Å; D1127-R1194 IonicContact OD1-NH1 2.73Å; D1127-R1194 PolarHBondContact OD1-NH1 3.04Å
1128V47.6Very low48.6Very low50 Ų5048.9 Ų48.930%0.30328%0.28SS..  trans-134.1121.6-174.1-168.50000113.5P618 L1133P618-V1128 HydrophobicContact CG-CG1 4.29Å; P618-V1128 HydrophobicContact CG-CG2 3.84Å; V1128-L1133 HydrophobicContact CG1-CD2 3.84Å
1129G56.3Low51.1Low7 Ų742 Ų427%0.07225%0.245CC..  trans-80.6144.3168.700000112.2I1131G1129-I1131 VanDerWaalsContact C-N 3.27Å; G1129-I1131 PolarHBondContact O-N 2.77Å
1130W62.2Low53.7Low31 Ų3140.3 Ų40.312%0.11723%0.233CC..SBendtrans-63.4-28.5-179.1-52.6113.2000114.2Y755 F766 P767 L1133 I1138Y755-W1130 HydrophobicContact CD1-CH2 4.24Å; Y755-W1130 HydrophobicContact CE1-CH2 4.16Å; Y755-W1130 AromaticContact CE1-CZ2 3.99Å; Y755-W1130 HydrophobicContact CE1-CZ2 3.99Å; Y755-W1130 HydrophobicContact CE2-CZ2 4.28Å; Y755-W1130 AromaticContact CZ-CZ2 3.87Å; F766-W1130 HydrophobicContact CB-CH2 3.96Å; F766-W1130 HydrophobicContact CB-CZ3 3.83Å; F766-W1130 HydrophobicContact CD1-CD2 4.01Å; F766-W1130 AromaticContact CD1-CE3 3.36Å; F766-W1130 HydrophobicContact CD1-CE3 3.36Å; F766-W1130 AromaticContact CD1-CH2 3.99Å; F766-W1130 HydrophobicContact CD1-CH2 3.99Å; F766-W1130 AromaticContact CD1-CZ3 3.36Å; F766-W1130 HydrophobicContact CD1-CZ3 3.36Å; F766-W1130 HydrophobicContact CE1-CD2 4.09Å; F766-W1130 AromaticContact CE1-CE3 3.81Å; F766-W1130 HydrophobicContact CE1-CE3 3.81Å; F766-W1130 HydrophobicContact CE1-CZ3 4.25Å; F766-W1130 HydrophobicContact CG-CE3 4.3Å; F766-W1130 HydrophobicContact CG-CH2 4.14Å; F766-W1130 AromaticContact CG-CZ3 3.9Å; F766-W1130 HydrophobicContact CG-CZ3 3.9Å; P767-W1130 HydrophobicContact CG-CE3 4.48Å; P767-W1130 HydrophobicContact CG-CZ3 4.29Å; W1130-L1133 HydrophobicContact CE3-CD1 4.32Å; W1130-I1138 HydrophobicContact CB-CD1 3.27Å; W1130-I1138 HydrophobicContact CB-CG1 4.1Å; W1130-I1138 HydrophobicContact CG-CD1 4.25Å
1131I64Low56.5Low6 Ų634.3 Ų34.33%0.03120%0.196CC..THydrogen-bonded Turntrans-84.3129.4175.2-58.8-178.7000109G1129 I1138 S1188 L1189 C1205 Q1208 E1209 L1212G1129-I1131 VanDerWaalsContact C-N 3.27Å; G1129-I1131 PolarHBondContact O-N 2.77Å; I1131-I1138 HydrophobicContact CG1-CD1 3.69Å; I1131-S1188 WeakPolarHBondContact CD1-O 3.41Å; I1131-L1189 HydrophobicContact CD1-CD2 4.25Å; I1131-C1205 PolarHBondContact O-SG 3.24Å; I1131-Q1208 HydrophobicContact CG2-CB 3.59Å; I1131-E1209 HydrophobicContact CD1-CG 4.4Å; I1131-E1209 HydrophobicContact CG2-CG 4.13Å; I1131-L1212 HydrophobicContact CD1-CD2 3.92Å
1132G59.5Low59.2Low4 Ų427.4 Ų27.44%0.04116%0.159CC..THydrogen-bonded Turntrans91.814.5-170.800000114.2
1133L65.4Low61.8Low5 Ų527.4 Ų27.43%0.02616%0.156CC..  trans-80.8149163.3-71.1175.5000110.8F621 P767 V1128 W1130 R1136 P1137 Q1208F621-L1133 HydrophobicContact CE2-CD2 4.43Å; P767-L1133 HydrophobicContact CB-CD1 4.2Å; P767-L1133 HydrophobicContact CG-CD1 3.76Å; V1128-L1133 HydrophobicContact CG1-CD2 3.84Å; W1130-L1133 HydrophobicContact CE3-CD1 4.32Å; L1133-R1136 PolarHBondContact O-N 3.35Å; L1133-P1137 HydrophobicContact CB-CG 4.13Å; L1133-P1137 HydrophobicContact CD1-CG 4.14Å; L1133-Q1208 PolarHBondContact O-NE2 3.18Å
1134P58.3Low64.4Low16 Ų1624.1 Ų24.110%0.10414%0.135CC..THydrogen-bonded Turntrans-61.2150171.228.1-35000110.6I617 L664 R1136I617-P1134 HydrophobicContact CG1-CG 4.23Å; L664-P1134 HydrophobicContact CD2-CB 4.11Å; L664-P1134 HydrophobicContact CD2-CG 4.44Å; P1134-R1136 PolarHBondContact O-N 2.72Å
1135G60.9Low66.9Low4 Ų422.4 Ų22.44%0.04112%0.123CC..THydrogen-bonded Turntrans75.2-2-177.200000116
1136R75.1Confident69.2Low9 Ų918.4 Ų18.43%0.03411%0.105CC..  trans51.751.5173.3-44.8-166-167.4122-3.2114.8E573 E574 L1133 P1134 I1138 L1139 C1140 Q1208E573-R1136 IonicContact OE2-CZ 3.81Å; E573-R1136 IonicContact OE2-NE 3.67Å; E573-R1136 PolarHBondContact OE2-NE 3.19Å; E573-R1136 IonicContact OE2-NH2 3.5Å; E573-R1136 PolarHBondContact OE2-NH2 2.9Å; E574-R1136 IonicContact OE1-CZ 2.77Å; E574-R1136 IonicContact OE1-NH1 2.76Å; E574-R1136 PolarHBondContact OE1-NH1 3.49Å; E574-R1136 IonicContact OE1-NH2 2.88Å; E574-R1136 PolarHBondContact OE1-NH2 3.07Å; L1133-R1136 PolarHBondContact O-N 3.35Å; P1134-R1136 PolarHBondContact O-N 2.72Å; R1136-I1138 PolarHBondContact O-N 2.82Å; R1136-L1139 HydrophobicContact CB-CB 4.02Å; R1136-L1139 HydrophobicContact CB-CD2 4.39Å; R1136-L1139 WeakPolarHBondContact O-CB 3.41Å; R1136-L1139 PolarHBondContact O-N 3.27Å; R1136-C1140 PolarHBondContact O-N 3.41Å; R1136-Q1208 HydrophobicContact CG-CG 4.43Å
1137P71Confident71.5Confident1 Ų116.4 Ų16.41%0.0069%0.091CC..Hα-helixtrans-54.2-48.9-164.920.3-33.8000115.2F766 P767 C770 L1133 L1139 C1140 L1141F766-P1137 HydrophobicContact CE1-CB 4.46Å; P767-P1137 HydrophobicContact CB-CB 4.42Å; P767-P1137 HydrophobicContact CB-CG 4.27Å; C770-P1137 HydrophobicContact CB-CB 3.43Å; C770-P1137 VanDerWaalsContact CB-CB 3.43Å; L1133-P1137 HydrophobicContact CB-CG 4.13Å; L1133-P1137 HydrophobicContact CD1-CG 4.14Å; P1137-L1139 VanDerWaalsContact C-N 3.27Å; P1137-L1139 PolarHBondContact O-N 3.05Å; P1137-C1140 PolarHBondContact O-N 3.48Å; P1137-L1141 PolarHBondContact O-N 2.84Å; P1137-L1141 VanDerWaalsContact O-N 3.13Å
1138I80.1Confident73.4Confident8 Ų814 Ų144%0.0418%0.079CC..Hα-helixtrans-61.5-37.5177.9-64.7156.7000111.8F766 W1130 I1131 R1136 L1141 V1142 I1184F766-I1138 HydrophobicContact CE1-CG1 4.36Å; F766-I1138 HydrophobicContact CZ-CG1 4.32Å; W1130-I1138 HydrophobicContact CB-CD1 3.27Å; W1130-I1138 HydrophobicContact CB-CG1 4.1Å; W1130-I1138 HydrophobicContact CG-CD1 4.25Å; I1131-I1138 HydrophobicContact CG1-CD1 3.69Å; R1136-I1138 PolarHBondContact O-N 2.82Å; I1138-L1141 WeakPolarHBondContact O-CB 3.24Å; I1138-L1141 PolarHBondContact O-N 3.44Å; I1138-V1142 HydrophobicContact CG2-CG2 3.97Å; I1138-V1142 WeakPolarHBondContact O-CB 3.37Å; I1138-V1142 WeakPolarHBondContact O-CG2 3.23Å; I1138-V1142 PolarHBondContact O-N 2.98Å; I1138-I1184 HydrophobicContact CG2-CG2 4.08Å
1139L80.2Confident75.1Confident8 Ų811.8 Ų11.84%0.0427%0.066CC..Hα-helixtrans-69.3-41.4-174.1-15468.4000110.3R1136 P1137 L1141 V1142 E1143 R1211 L1212 L1215R1136-L1139 HydrophobicContact CB-CB 4.02Å; R1136-L1139 HydrophobicContact CB-CD2 4.39Å; R1136-L1139 WeakPolarHBondContact O-CB 3.41Å; R1136-L1139 PolarHBondContact O-N 3.27Å; P1137-L1139 VanDerWaalsContact C-N 3.27Å; P1137-L1139 PolarHBondContact O-N 3.05Å; L1139-L1141 VanDerWaalsContact C-N 3.33Å; L1139-L1141 PolarHBondContact O-N 2.85Å; L1139-V1142 PolarHBondContact O-N 3Å; L1139-E1143 WeakPolarHBondContact O-CB 3.27Å; L1139-E1143 VanDerWaalsContact O-CG 3.26Å; L1139-E1143 WeakPolarHBondContact O-CG 3.34Å; L1139-E1143 PolarHBondContact O-N 2.88Å; L1139-R1211 HydrophobicContact CD1-CG 4.26Å; L1139-R1211 HydrophobicContact CD2-CB 4.44Å; L1139-R1211 HydrophobicContact CD2-CG 4.02Å; L1139-L1212 HydrophobicContact CD1-CB 4.18Å; L1139-L1212 HydrophobicContact CD1-CD1 4.16Å; L1139-L1215 HydrophobicContact CD1-CD1 3.84Å
1140C80.1Confident76.2Confident9 Ų913.9 Ų13.96%0.0618%0.082CC..Hα-helixtrans-61.6-39.8171.7-60.60000112.2A774 R1136 P1137 C1144A774-C1140 HydrophobicContact CB-CB 3.89Å; R1136-C1140 PolarHBondContact O-N 3.41Å; P1137-C1140 PolarHBondContact O-N 3.48Å; C1140-C1144 WeakPolarHBondContact O-CB 3.49Å; C1140-C1144 PolarHBondContact O-N 3.28Å; C1140-C1144 VanDerWaalsContact O-N 3.09Å
1141L84.6Confident77Confident0 Ų015.2 Ų15.20%09%0.091CC..Hα-helixtrans-66.5-47.2177.7-171.470.1000112.1F766 V773 A789 I792 L796 P1137 I1138 L1139 C1144 L1145 I1184F766-L1141 HydrophobicContact CE2-CD2 4.3Å; F766-L1141 HydrophobicContact CZ-CD2 4.37Å; V773-L1141 HydrophobicContact CG2-CD1 4.49Å; A789-L1141 HydrophobicContact CB-CD1 3.71Å; I792-L1141 HydrophobicContact CB-CD1 4.26Å; I792-L1141 HydrophobicContact CD1-CD1 4.5Å; I792-L1141 HydrophobicContact CG2-CD1 4.11Å; I792-L1141 HydrophobicContact CG2-CD2 3.88Å; L796-L1141 HydrophobicContact CD1-CD2 4.49Å; P1137-L1141 PolarHBondContact O-N 2.84Å; P1137-L1141 VanDerWaalsContact O-N 3.13Å; I1138-L1141 WeakPolarHBondContact O-CB 3.24Å; I1138-L1141 PolarHBondContact O-N 3.44Å; L1139-L1141 VanDerWaalsContact C-N 3.33Å; L1139-L1141 PolarHBondContact O-N 2.85Å; L1141-C1144 PolarHBondContact O-N 3.11Å; L1141-L1145 WeakPolarHBondContact O-CG 3.24Å; L1141-L1145 PolarHBondContact O-N 2.74Å; L1141-I1184 HydrophobicContact CD2-CD1 4.1Å; L1141-I1184 HydrophobicContact CD2-CG2 4.31Å; L1141-I1184 HydrophobicContact CG-CD1 4.43Å
1142V85.8Confident77.8Confident2 Ų216.1 Ų16.11%0.01210%0.097CC..Hα-helixtrans-67.3-41.7179.1168.70000111.3I1138 L1139 C1144 L1145 L1146 A1181 I1184 L1212 L1215I1138-V1142 HydrophobicContact CG2-CG2 3.97Å; I1138-V1142 WeakPolarHBondContact O-CB 3.37Å; I1138-V1142 WeakPolarHBondContact O-CG2 3.23Å; I1138-V1142 PolarHBondContact O-N 2.98Å; L1139-V1142 PolarHBondContact O-N 3Å; V1142-C1144 VanDerWaalsContact C-N 3.35Å; V1142-C1144 PolarHBondContact O-N 3.42Å; V1142-L1145 PolarHBondContact O-N 3.41Å; V1142-L1146 HydrophobicContact CG1-CD1 3.96Å; V1142-L1146 HydrophobicContact CG1-CG 4.4Å; V1142-L1146 WeakPolarHBondContact O-CG 3.41Å; V1142-L1146 PolarHBondContact O-N 3.1Å; V1142-A1181 HydrophobicContact CG1-CB 4.39Å; V1142-I1184 HydrophobicContact CG2-CB 4.41Å; V1142-I1184 HydrophobicContact CG2-CG2 4.31Å; V1142-L1212 HydrophobicContact CB-CD1 4.45Å; V1142-L1212 HydrophobicContact CG1-CD1 4.2Å; V1142-L1212 HydrophobicContact CG2-CD1 4.26Å; V1142-L1215 HydrophobicContact CG1-CD1 4.48Å
1143E84.8Confident78.6Confident28 Ų2819.5 Ų19.513%0.13112%0.116CC..Hα-helixtrans-61.7-40.4173.9-74.6176.6-168.800112.3R777 L1139 L1145 L1146 D1147 R1211 L1215R777-E1143 IonicContact CZ-OE2 2.74Å; R777-E1143 IonicContact NH1-OE2 3.72Å; R777-E1143 PolarHBondContact NH1-OE2 3Å; R777-E1143 IonicContact NH2-OE2 3.2Å; L1139-E1143 WeakPolarHBondContact O-CB 3.27Å; L1139-E1143 VanDerWaalsContact O-CG 3.26Å; L1139-E1143 WeakPolarHBondContact O-CG 3.34Å; L1139-E1143 PolarHBondContact O-N 2.88Å; E1143-L1145 VanDerWaalsContact C-N 3.3Å; E1143-L1145 PolarHBondContact O-N 2.84Å; E1143-L1146 PolarHBondContact O-N 2.78Å; E1143-D1147 VanDerWaalsContact O-CG 3.32Å; E1143-D1147 PolarHBondContact O-N 2.91Å; E1143-R1211 IonicContact OE1-CZ 3.32Å; E1143-R1211 IonicContact OE1-NE 3.19Å; E1143-R1211 IonicContact OE1-NH2 3.5Å; E1143-R1211 PolarHBondContact OE1-NH2 2.79Å; E1143-R1211 IonicContact OE2-NH2 3.85Å; E1143-L1215 HydrophobicContact CG-CD1 4.2Å
1144C85.4Confident78.9Confident8 Ų825.2 Ų25.25%0.05414%0.143CC..Hα-helixtrans-60.2-38.8176.2-1670000112.4V773 A789 C1140 L1141 V1142 A1148V773-C1144 HydrophobicContact CG1-CB 4.05Å; A789-C1144 HydrophobicContact CB-CB 4.36Å; C1140-C1144 WeakPolarHBondContact O-CB 3.49Å; C1140-C1144 PolarHBondContact O-N 3.28Å; C1140-C1144 VanDerWaalsContact O-N 3.09Å; L1141-C1144 PolarHBondContact O-N 3.11Å; V1142-C1144 VanDerWaalsContact C-N 3.35Å; V1142-C1144 PolarHBondContact O-N 3.42Å; C1144-A1148 WeakPolarHBondContact O-CB 3.37Å; C1144-A1148 PolarHBondContact O-N 3.13Å; C1144-A1148 VanDerWaalsContact O-N 3.16Å
1145L87.7Confident79.3Confident0 Ų027.8 Ų27.80%017%0.165CC..Hα-helixtrans-73.1-34176.6-65.9172000112.9L786 V790 L1141 V1142 E1143 A1149 Y1177 L1180 A1181 I1184L786-L1145 HydrophobicContact CD1-CD2 4.19Å; V790-L1145 HydrophobicContact CG2-CD2 4.11Å; L1141-L1145 WeakPolarHBondContact O-CG 3.24Å; L1141-L1145 PolarHBondContact O-N 2.74Å; V1142-L1145 PolarHBondContact O-N 3.41Å; E1143-L1145 VanDerWaalsContact C-N 3.3Å; E1143-L1145 PolarHBondContact O-N 2.84Å; L1145-A1149 PolarHBondContact O-N 2.96Å; L1145-Y1177 HydrophobicContact CD2-CD1 4.14Å; L1145-L1180 HydrophobicContact CD1-CB 4.18Å; L1145-L1180 HydrophobicContact CD1-CD2 4.22Å; L1145-L1180 HydrophobicContact CD1-CG 3.91Å; L1145-L1180 HydrophobicContact CD2-CD2 3.94Å; L1145-L1180 HydrophobicContact CD2-CG 4.49Å; L1145-A1181 HydrophobicContact CB-CB 4.03Å; L1145-A1181 HydrophobicContact CD1-CB 4.4Å; L1145-I1184 HydrophobicContact CD1-CD1 3.47Å; L1145-I1184 VanDerWaalsContact CD1-CD1 3.47Å
1146L86.2Confident79.3Confident31 Ų3131.3 Ų31.316%0.16219%0.194CC..Hα-helixtrans-72.7-40.2176.2-68.8174.1000112V1142 E1143 A1148 A1149 A1150 L1178 A1181 L1215 I1219V1142-L1146 HydrophobicContact CG1-CD1 3.96Å; V1142-L1146 HydrophobicContact CG1-CG 4.4Å; V1142-L1146 WeakPolarHBondContact O-CG 3.41Å; V1142-L1146 PolarHBondContact O-N 3.1Å; E1143-L1146 PolarHBondContact O-N 2.78Å; L1146-A1148 VanDerWaalsContact C-N 3.34Å; L1146-A1149 PolarHBondContact O-N 2.91Å; L1146-A1150 PolarHBondContact O-N 3.04Å; L1146-L1178 HydrophobicContact CD2-CD2 3.9Å; L1146-A1181 HydrophobicContact CD2-CB 4.06Å; L1146-A1181 HydrophobicContact CG-CB 4.27Å; L1146-L1215 HydrophobicContact CD1-CB 4.25Å; L1146-L1215 HydrophobicContact CD1-CD2 4.2Å; L1146-I1219 HydrophobicContact CD2-CD1 4.03Å; L1146-I1219 HydrophobicContact CD2-CG1 4.03Å
1147D83Confident78.4Confident63 Ų6336.6 Ų36.634%0.33722%0.223SC..Hα-helixtrans-58.2-47.2171.8-71.9-0000110.5R777 E1143 A1149 A1150 I1151R777-D1147 IonicContact CZ-OD2 2.63Å; R777-D1147 IonicContact NE-OD2 2.6Å; R777-D1147 PolarHBondContact NE-OD2 3.36Å; R777-D1147 IonicContact NH2-OD1 3.48Å; R777-D1147 PolarHBondContact NH2-OD1 3.4Å; R777-D1147 IonicContact NH2-OD2 3.42Å; R777-D1147 PolarHBondContact NH2-OD2 3.46Å; E1143-D1147 VanDerWaalsContact O-CG 3.32Å; E1143-D1147 PolarHBondContact O-N 2.91Å; D1147-A1149 PolarHBondContact O-N 3.18Å; D1147-A1150 WeakPolarHBondContact O-CB 3.4Å; D1147-A1150 PolarHBondContact O-N 3.32Å; D1147-I1151 WeakPolarHBondContact O-CG1 3.43Å; D1147-I1151 PolarHBondContact O-N 3.37Å
1148A82.7Confident77.4Confident4 Ų441 Ų413%0.03324%0.243CC..Hα-helixtrans-62.6-39.6177.900000112.9L786 C1144 L1146 A1150 I1151 V1152 M1171 Y1177L786-A1148 HydrophobicContact CD1-CB 3.5Å; L786-A1148 VanDerWaalsContact CD1-CB 3.5Å; L786-A1148 HydrophobicContact CD2-CB 3.63Å; L786-A1148 HydrophobicContact CG-CB 4.19Å; C1144-A1148 WeakPolarHBondContact O-CB 3.37Å; C1144-A1148 PolarHBondContact O-N 3.13Å; C1144-A1148 VanDerWaalsContact O-N 3.16Å; L1146-A1148 VanDerWaalsContact C-N 3.34Å; A1148-A1150 VanDerWaalsContact C-N 3.33Å; A1148-A1150 PolarHBondContact O-N 2.76Å; A1148-I1151 PolarHBondContact O-N 2.99Å; A1148-V1152 WeakPolarHBondContact O-CG2 3.31Å; A1148-V1152 PolarHBondContact O-N 3.1Å; A1148-V1152 VanDerWaalsContact O-N 3.09Å; A1148-M1171 HydrophobicContact CB-CE 4.5Å; A1148-Y1177 HydrophobicContact CB-CD1 4.41Å; A1148-Y1177 HydrophobicContact CB-CG 4.33Å
1149A83.1Confident75.3Confident4 Ų449.9 Ų49.93%0.03329%0.285CS..Hα-helixtrans-61.4-41.4173.500000112.1L1145 L1146 D1147 V1153 L1178L1145-A1149 PolarHBondContact O-N 2.96Å; L1146-A1149 PolarHBondContact O-N 2.91Å; D1147-A1149 PolarHBondContact O-N 3.18Å; A1149-V1153 WeakPolarHBondContact O-CG2 3.3Å; A1149-V1153 PolarHBondContact O-N 2.89Å; A1149-V1153 VanDerWaalsContact O-N 3.16Å; A1149-L1178 HydrophobicContact CB-CD2 3.65Å; A1149-L1178 HydrophobicContact CB-CG 3.8Å
1150A80.9Confident73Confident51 Ų5154.6 Ų54.642%0.42131%0.314SS..Hα-helixtrans-64.8-45.1176.700000112L1146 D1147 A1148 V1152 V1153 E1154L1146-A1150 PolarHBondContact O-N 3.04Å; D1147-A1150 WeakPolarHBondContact O-CB 3.4Å; D1147-A1150 PolarHBondContact O-N 3.32Å; A1148-A1150 VanDerWaalsContact C-N 3.33Å; A1148-A1150 PolarHBondContact O-N 2.76Å; A1150-V1152 VanDerWaalsContact C-N 3.34Å; A1150-V1152 PolarHBondContact O-N 2.87Å; A1150-V1153 PolarHBondContact O-N 3.43Å; A1150-V1153 VanDerWaalsContact O-N 3.13Å; A1150-E1154 PolarHBondContact O-N 3.31Å
1151I79Confident70.6Confident59 Ų5959.9 Ų59.930%0.30335%0.348SS..Hα-helixtrans-59.3-43.2178-68.4165.5000111.4D1147 A1148 V1153 E1154 A1155 W1168D1147-I1151 WeakPolarHBondContact O-CG1 3.43Å; D1147-I1151 PolarHBondContact O-N 3.37Å; A1148-I1151 PolarHBondContact O-N 2.99Å; I1151-V1153 VanDerWaalsContact C-N 3.34Å; I1151-V1153 PolarHBondContact O-N 3.03Å; I1151-E1154 PolarHBondContact O-N 3.05Å; I1151-A1155 WeakPolarHBondContact O-CB 3.48Å; I1151-A1155 PolarHBondContact O-N 3.43Å; I1151-W1168 HydrophobicContact CD1-CH2 3.94Å; I1151-W1168 HydrophobicContact CD1-CZ3 4.43Å; I1151-W1168 HydrophobicContact CG2-CH2 4.46Å; I1151-W1168 HydrophobicContact CG2-CZ3 4.31Å
1152V79.1Confident68.3Low25 Ų2564.3 Ų64.315%0.15238%0.377CS..Hα-helixtrans-65.7-36176.8175.40000112A1148 A1150 A1156 M1171 A1174 Y1177A1148-V1152 WeakPolarHBondContact O-CG2 3.31Å; A1148-V1152 PolarHBondContact O-N 3.1Å; A1148-V1152 VanDerWaalsContact O-N 3.09Å; A1150-V1152 VanDerWaalsContact C-N 3.34Å; A1150-V1152 PolarHBondContact O-N 2.87Å; V1152-A1156 WeakPolarHBondContact O-CB 3.5Å; V1152-A1156 PolarHBondContact O-N 3.05Å; V1152-M1171 HydrophobicContact CG2-CB 4.08Å; V1152-M1171 HydrophobicContact CG2-CE 3.45Å; V1152-M1171 VanDerWaalsContact CG2-CE 3.45Å; V1152-M1171 HydrophobicContact CG2-SD 3.63Å; V1152-A1174 HydrophobicContact CB-CB 4.13Å; V1152-A1174 HydrophobicContact CG1-CB 3.93Å; V1152-Y1177 HydrophobicContact CG2-CD2 4.45Å; V1152-Y1177 HydrophobicContact CG2-CE2 4.06Å
1153V77.1Confident65.6Low74 Ų7472.3 Ų72.345%0.44842%0.418SS..Hα-helixtrans-70.2-39.5175.3171.90000111.5A1149 A1150 I1151 N1157 A1174A1149-V1153 WeakPolarHBondContact O-CG2 3.3Å; A1149-V1153 PolarHBondContact O-N 2.89Å; A1149-V1153 VanDerWaalsContact O-N 3.16Å; A1150-V1153 PolarHBondContact O-N 3.43Å; A1150-V1153 VanDerWaalsContact O-N 3.13Å; I1151-V1153 VanDerWaalsContact C-N 3.34Å; I1151-V1153 PolarHBondContact O-N 3.03Å; V1153-N1157 PolarHBondContact O-ND2 3.49Å; V1153-A1174 HydrophobicContact CG2-CB 3.73Å
1154E72.8Confident63Low126 Ų12675.5 Ų75.559%0.58945%0.449SS*.Hα-helixtrans-66.6-41.5175.3-71.2-172169.900111.7A1150 I1151 A1156 N1157 H1158A1150-E1154 PolarHBondContact O-N 3.31Å; I1151-E1154 PolarHBondContact O-N 3.05Å; E1154-A1156 PolarHBondContact O-N 3.16Å; E1154-N1157 PolarHBondContact O-N 3.3Å; E1154-H1158 PolarHBondContact O-CD2 2.9Å
1155A64.9Low60.4Low69 Ų6981 Ų8157%0.5748%0.477SS*.Hα-helixtrans-63.6-39.4175.900000113I1151 N1157 H1158I1151-A1155 WeakPolarHBondContact O-CB 3.48Å; I1151-A1155 PolarHBondContact O-N 3.43Å; A1155-N1157 PolarHBondContact O-N 2.89Å; A1155-H1158 PolarHBondContact O-N 3.4Å
1156A60.7Low57.6Low78 Ų7885.6 Ų85.665%0.64551%0.507SS*.Hα-helixtrans-66.4-17179.300000114.3V1152 E1154V1152-A1156 WeakPolarHBondContact O-CB 3.5Å; V1152-A1156 PolarHBondContact O-N 3.05Å; E1154-A1156 PolarHBondContact O-N 3.16Å
1157N57.6Low54.9Low120 Ų12088.8 Ų88.864%0.64253%0.532SS*.THydrogen-bonded Turntrans-95.73.5-176.6-75.5-52.2000114.3V1153 E1154 A1155V1153-N1157 PolarHBondContact O-ND2 3.49Å; E1154-N1157 PolarHBondContact O-N 3.3Å; A1155-N1157 PolarHBondContact O-N 2.89Å
1158H50.2Low52.9Low93 Ų9389.9 Ų89.943%0.43153%0.531SS..  trans-127.695.1-175.7-77.2-65.6000112.1R256 E1154 A1155 T1160R256-H1158 PolarHBondContact NH1-NE2 2.84Å; R256-H1158 PolarHBondContact NH2-NE2 2.96Å; R256-H1158 VanDerWaalsContact NH2-NE2 3.12Å; E1154-H1158 PolarHBondContact O-CD2 2.9Å; A1155-H1158 PolarHBondContact O-N 3.4Å; H1158-T1160 VanDerWaalsContact C-N 3.31Å; H1158-T1160 PolarHBondContact O-N 3.21Å; H1158-T1160 VanDerWaalsContact O-N 3.12Å
1159Q35.8Very low50.8Low196 Ų19692 Ų9292%0.91655%0.553SS**  trans-85.852.5-177.3-67.1-178-44.700113.7
1160T31.9Very low49.2Very low106 Ų106101.1 Ų101.165%0.6560%0.595SS**SBendtrans-138.6139.6176500000110.8H1158H1158-T1160 VanDerWaalsContact C-N 3.31Å; H1158-T1160 PolarHBondContact O-N 3.21Å; H1158-T1160 VanDerWaalsContact O-N 3.12Å
1161P29Very low48Very low121 Ų121101 Ų10179%0.78659%0.586SS**  trans-66.4124.6-17326.7-34.3000111.8I1163P1161-I1163 PolarHBondContact O-N 3.5Å
1162P36.2Very low47.3Very low92 Ų92102.5 Ų102.560%0.59759%0.592SS**  trans-84.3108.9-175.531.6-33.3000111.9A1164 L1165P1162-A1164 PolarHBondContact O-N 3.02Å; P1162-L1165 HydrophobicContact CB-CB 4.37Å; P1162-L1165 HydrophobicContact CB-CD1 3.89Å; P1162-L1165 HydrophobicContact CB-CG 4.29Å; P1162-L1165 HydrophobicContact CG-CD1 4.18Å
1163I29.8Very low47.1Very low171 Ų171109.3 Ų109.388%0.87762%0.619SS**THydrogen-bonded Turntrans-65.8121.5162.6-62.7176.7000108.1P1161P1161-I1163 PolarHBondContact O-N 3.5Å
1164A28.8Very low47.2Very low95 Ų95106.6 Ų106.679%0.78561%0.605SS**THydrogen-bonded Turntrans61.641.9172.100000117.6P1162P1162-A1164 PolarHBondContact O-N 3.02Å
1165L31Very low47.5Very low123 Ų123103.3 Ų103.364%0.64460%0.596SS**  trans-78.3139.5141.8-87.1169.4000108.8P1162P1162-L1165 HydrophobicContact CB-CB 4.37Å; P1162-L1165 HydrophobicContact CB-CD1 3.89Å; P1162-L1165 HydrophobicContact CB-CG 4.29Å; P1162-L1165 HydrophobicContact CG-CD1 4.18Å
1166P30.4Very low48.5Very low96 Ų96102.7 Ų102.762%0.62358%0.58SS**  trans-57.6150.1166.3-21.232.9000110.4W1168P1166-W1168 PolarHBondContact O-N 3.37Å
1167S29.8Very low49.7Very low98 Ų9899.6 Ų99.669%0.68555%0.552SS**  trans-68.693.2177.951.20000111.2G1169S1167-G1169 PolarHBondContact O-N 2.71Å
1168W40.4Very low51Low87 Ų8795.1 Ų95.133%0.3353%0.528SS..  trans-76.6109.5169.7-76.548.1000108.8L782 I1151 P1166 M1171L782-W1168 HydrophobicContact CB-CH2 3.81Å; L782-W1168 HydrophobicContact CB-CZ2 3.97Å; L782-W1168 HydrophobicContact CD1-CH2 4.25Å; L782-W1168 HydrophobicContact CD1-CZ2 4.18Å; I1151-W1168 HydrophobicContact CD1-CH2 3.94Å; I1151-W1168 HydrophobicContact CD1-CZ3 4.43Å; I1151-W1168 HydrophobicContact CG2-CH2 4.46Å; I1151-W1168 HydrophobicContact CG2-CZ3 4.31Å; P1166-W1168 PolarHBondContact O-N 3.37Å; W1168-M1171 HydrophobicContact CE3-CE 4.01Å; W1168-M1171 HydrophobicContact CE3-CG 4.43Å; W1168-M1171 HydrophobicContact CE3-SD 3.6Å; W1168-M1171 HydrophobicContact CZ3-CE 3.97Å; W1168-M1171 HydrophobicContact CZ3-SD 4.08Å
1169G39.1Very low52.5Low48 Ų4891.7 Ų91.750%0.49551%0.514SS..  trans-51142.8174.700000112.8S1167 M1171S1167-G1169 PolarHBondContact O-N 2.71Å; G1169-M1171 PolarHBondContact O-N 3.49Å
1170H48.2Very low54.9Low195 Ų19582.8 Ų82.890%0.90347%0.473SS*.  trans-29.995.3-167.7-151.2-48000115.4
1171M55.4Low57.5Low49 Ų4977.8 Ų77.824%0.24144%0.442CS..PPolyproline II helixtrans-67.8149178.7-63.9-164.480.300112.1L786 A1148 V1152 W1168 G1169 Y1177L786-M1171 HydrophobicContact CD2-CE 3.64Å; A1148-M1171 HydrophobicContact CB-CE 4.5Å; V1152-M1171 HydrophobicContact CG2-CB 4.08Å; V1152-M1171 HydrophobicContact CG2-CE 3.45Å; V1152-M1171 VanDerWaalsContact CG2-CE 3.45Å; V1152-M1171 HydrophobicContact CG2-SD 3.63Å; W1168-M1171 HydrophobicContact CE3-CE 4.01Å; W1168-M1171 HydrophobicContact CE3-CG 4.43Å; W1168-M1171 HydrophobicContact CE3-SD 3.6Å; W1168-M1171 HydrophobicContact CZ3-CE 3.97Å; W1168-M1171 HydrophobicContact CZ3-SD 4.08Å; G1169-M1171 PolarHBondContact O-N 3.49Å; M1171-Y1177 HydrophobicContact CE-CE2 4.24Å
1172E64.3Low60.2Low90 Ų9072.2 Ų72.242%0.42141%0.406SS..PPolyproline II helixtrans-80.3165.7171.9-67.7-166.1-129.100111.6F1176 Y1177E1172-F1176 HydrophobicContact CB-CB 4.2Å; E1172-F1176 HydrophobicContact CB-CD1 4Å; E1172-F1176 HydrophobicContact CB-CG 4.26Å; E1172-F1176 HydrophobicContact CG-CD1 4.41Å; E1172-F1176 WeakPolarHBondContact OE2-CD2 3.46Å; E1172-F1176 VanDerWaalsContact OE2-CG 3.3Å; E1172-F1176 WeakPolarHBondContact OE2-CG 3.39Å; E1172-Y1177 HydrophobicContact CB-CE2 4.11Å; E1172-Y1177 PolarHBondContact N-OH 3.38Å; E1172-Y1177 VanDerWaalsContact N-OH 3.13Å; E1172-Y1177 WeakPolarHBondContact O-CE2 3.24Å
1173K76.4Confident62.5Low168 Ų16869.3 Ų69.373%0.7338%0.384SS*.PPolyproline II helixtrans-60141.3178-62.9-174.4178.9-174.30110.7S1175 F1176K1173-S1175 PolarHBondContact O-N 2.85Å; K1173-F1176 VanDerWaalsContact O-CB 3.29Å; K1173-F1176 WeakPolarHBondContact O-CB 3.49Å; K1173-F1176 PolarHBondContact O-N 3.02Å
1174A79.3Confident65Low17 Ų1761.3 Ų61.314%0.1434%0.343CS..Hα-helixtrans-51-34.2179.500000113.7V1152 V1153 F1176 Y1177 L1178V1152-A1174 HydrophobicContact CB-CB 4.13Å; V1152-A1174 HydrophobicContact CG1-CB 3.93Å; V1153-A1174 HydrophobicContact CG2-CB 3.73Å; A1174-F1176 VanDerWaalsContact C-N 3.25Å; A1174-F1176 PolarHBondContact O-N 3.48Å; A1174-Y1177 PolarHBondContact O-N 2.79Å; A1174-L1178 WeakPolarHBondContact O-CG 3.47Å; A1174-L1178 PolarHBondContact O-N 2.71Å
1175S78.7Confident67.6Low57 Ų5756.8 Ų56.840%0.39931%0.306SS..Hα-helixtrans-58.1-31.3174.557.40000113.8K1173 C1179K1173-S1175 PolarHBondContact O-N 2.85Å; S1175-C1179 VanDerWaalsContact O-CB 3.23Å; S1175-C1179 WeakPolarHBondContact O-CB 3.38Å; S1175-C1179 PolarHBondContact O-N 3.27Å; S1175-C1179 PolarHBondContact O-SG 3.11Å
1176F84.6Confident69.7Low56 Ų5651 Ų5125%0.24628%0.275CS..Hα-helixtrans-64.9-53.1175.5173.2-100.5000111V790 E1172 K1173 A1174 L1178 C1179 L1180V790-F1176 HydrophobicContact CG1-CE1 4.03Å; V790-F1176 HydrophobicContact CG1-CZ 4.13Å; V790-F1176 HydrophobicContact CG2-CE1 4.31Å; E1172-F1176 HydrophobicContact CB-CB 4.2Å; E1172-F1176 HydrophobicContact CB-CD1 4Å; E1172-F1176 HydrophobicContact CB-CG 4.26Å; E1172-F1176 HydrophobicContact CG-CD1 4.41Å; E1172-F1176 WeakPolarHBondContact OE2-CD2 3.46Å; E1172-F1176 VanDerWaalsContact OE2-CG 3.3Å; E1172-F1176 WeakPolarHBondContact OE2-CG 3.39Å; K1173-F1176 VanDerWaalsContact O-CB 3.29Å; K1173-F1176 WeakPolarHBondContact O-CB 3.49Å; K1173-F1176 PolarHBondContact O-N 3.02Å; A1174-F1176 VanDerWaalsContact C-N 3.25Å; A1174-F1176 PolarHBondContact O-N 3.48Å; F1176-L1178 PolarHBondContact O-N 3.44Å; F1176-C1179 PolarHBondContact O-N 3.29Å; F1176-L1180 HydrophobicContact CE1-CD2 3.9Å; F1176-L1180 HydrophobicContact CZ-CD2 4.01Å; F1176-L1180 WeakPolarHBondContact O-CB 3.28Å; F1176-L1180 PolarHBondContact O-N 3.24Å
1177Y85.9Confident71.8Confident13 Ų1347.4 Ų47.45%0.05125%0.251CS..Hα-helixtrans-63.1-40.7-179.7-57.1-67.2000111.9L786 V790 L1145 A1148 V1152 M1171 E1172 A1174 L1180 A1181L786-Y1177 HydrophobicContact CD1-CD1 4.1Å; L786-Y1177 HydrophobicContact CD1-CE1 3.9Å; L786-Y1177 HydrophobicContact CD2-CE1 4.13Å; L786-Y1177 HydrophobicContact CG-CE1 4.26Å; V790-Y1177 HydrophobicContact CG2-CD1 4.27Å; V790-Y1177 HydrophobicContact CG2-CE1 3.9Å; L1145-Y1177 HydrophobicContact CD2-CD1 4.14Å; A1148-Y1177 HydrophobicContact CB-CD1 4.41Å; A1148-Y1177 HydrophobicContact CB-CG 4.33Å; V1152-Y1177 HydrophobicContact CG2-CD2 4.45Å; V1152-Y1177 HydrophobicContact CG2-CE2 4.06Å; M1171-Y1177 HydrophobicContact CE-CE2 4.24Å; E1172-Y1177 HydrophobicContact CB-CE2 4.11Å; E1172-Y1177 PolarHBondContact N-OH 3.38Å; E1172-Y1177 VanDerWaalsContact N-OH 3.13Å; E1172-Y1177 WeakPolarHBondContact O-CE2 3.24Å; A1174-Y1177 PolarHBondContact O-N 2.79Å; Y1177-L1180 PolarHBondContact O-N 2.81Å; Y1177-A1181 WeakPolarHBondContact O-CB 3.33Å; Y1177-A1181 PolarHBondContact O-N 2.83Å
1178L84.9Confident73.9Confident27 Ų2743 Ų4314%0.14122%0.22CC..Hα-helixtrans-61.1-48172.8-68.4178.1000112.2L1146 A1149 A1174 F1176 L1180 A1181 V1182 I1219 P1220L1146-L1178 HydrophobicContact CD2-CD2 3.9Å; A1149-L1178 HydrophobicContact CB-CD2 3.65Å; A1149-L1178 HydrophobicContact CB-CG 3.8Å; A1174-L1178 WeakPolarHBondContact O-CG 3.47Å; A1174-L1178 PolarHBondContact O-N 2.71Å; F1176-L1178 PolarHBondContact O-N 3.44Å; L1178-L1180 VanDerWaalsContact C-N 3.31Å; L1178-L1180 PolarHBondContact O-N 3.04Å; L1178-A1181 PolarHBondContact O-N 3.37Å; L1178-V1182 WeakPolarHBondContact O-CG2 3.43Å; L1178-V1182 PolarHBondContact O-N 3.47Å; L1178-I1219 HydrophobicContact CD2-CG2 4.46Å; L1178-P1220 HydrophobicContact CD1-CG 4.04Å
1179C83.6Confident75.5Confident21 Ų2139.2 Ų39.214%0.14221%0.206CC..Hα-helixtrans-61.1-40.9176.6-72.80000111.6S1175 F1176 V1182 K1183 T1228S1175-C1179 VanDerWaalsContact O-CB 3.23Å; S1175-C1179 WeakPolarHBondContact O-CB 3.38Å; S1175-C1179 PolarHBondContact O-N 3.27Å; S1175-C1179 PolarHBondContact O-SG 3.11Å; F1176-C1179 PolarHBondContact O-N 3.29Å; C1179-V1182 PolarHBondContact O-N 3.44Å; C1179-K1183 VanDerWaalsContact O-CB 3.31Å; C1179-K1183 WeakPolarHBondContact O-CB 3.48Å; C1179-K1183 WeakPolarHBondContact O-CG 3.31Å; C1179-K1183 PolarHBondContact O-N 2.81Å; C1179-T1228 HydrophobicContact CB-CG2 4Å
1180L84.8Confident76.7Confident9 Ų938.5 Ų38.55%0.04719%0.19CC..Hα-helixtrans-64.5-43.3178.4-164.756.7000111.1V790 L797 L1145 F1176 Y1177 L1178 K1183 I1184V790-L1180 HydrophobicContact CB-CD2 4.48Å; V790-L1180 HydrophobicContact CG1-CD2 4.28Å; V790-L1180 HydrophobicContact CG2-CD2 4.19Å; L797-L1180 HydrophobicContact CD1-CD1 3.68Å; L1145-L1180 HydrophobicContact CD1-CB 4.18Å; L1145-L1180 HydrophobicContact CD1-CD2 4.22Å; L1145-L1180 HydrophobicContact CD1-CG 3.91Å; L1145-L1180 HydrophobicContact CD2-CD2 3.94Å; L1145-L1180 HydrophobicContact CD2-CG 4.49Å; F1176-L1180 HydrophobicContact CE1-CD2 3.9Å; F1176-L1180 HydrophobicContact CZ-CD2 4.01Å; F1176-L1180 WeakPolarHBondContact O-CB 3.28Å; F1176-L1180 PolarHBondContact O-N 3.24Å; Y1177-L1180 PolarHBondContact O-N 2.81Å; L1178-L1180 VanDerWaalsContact C-N 3.31Å; L1178-L1180 PolarHBondContact O-N 3.04Å; L1180-K1183 PolarHBondContact O-N 2.85Å; L1180-I1184 HydrophobicContact CG-CD1 4.32Å; L1180-I1184 VanDerWaalsContact O-CD1 3.3Å; L1180-I1184 WeakPolarHBondContact O-CD1 3.34Å; L1180-I1184 VanDerWaalsContact O-CG1 3.28Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.41Å; L1180-I1184 PolarHBondContact O-N 2.96Å; L1180-I1184 VanDerWaalsContact O-N 3.1Å
1181A87.4Confident77.3Confident0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-61.4-47.6174.600000112.6V1142 L1145 L1146 Y1177 L1178 K1183 S1185V1142-A1181 HydrophobicContact CG1-CB 4.39Å; L1145-A1181 HydrophobicContact CB-CB 4.03Å; L1145-A1181 HydrophobicContact CD1-CB 4.4Å; L1146-A1181 HydrophobicContact CD2-CB 4.06Å; L1146-A1181 HydrophobicContact CG-CB 4.27Å; Y1177-A1181 WeakPolarHBondContact O-CB 3.33Å; Y1177-A1181 PolarHBondContact O-N 2.83Å; L1178-A1181 PolarHBondContact O-N 3.37Å; A1181-K1183 VanDerWaalsContact C-N 3.32Å; A1181-K1183 PolarHBondContact O-N 3.22Å; A1181-S1185 VanDerWaalsContact O-CB 3.29Å; A1181-S1185 WeakPolarHBondContact O-CB 3.49Å; A1181-S1185 PolarHBondContact O-N 3.18Å; A1181-S1185 VanDerWaalsContact O-N 3.07Å; A1181-S1185 PolarHBondContact O-OG 3.19Å
1182V85.6Confident77.1Confident5 Ų532 Ų323%0.0316%0.159CC..Hα-helixtrans-57.1-47174170.10000110.5L1178 C1179 I1184 S1185 L1186 L1216 I1219L1178-V1182 WeakPolarHBondContact O-CG2 3.43Å; L1178-V1182 PolarHBondContact O-N 3.47Å; C1179-V1182 PolarHBondContact O-N 3.44Å; V1182-I1184 PolarHBondContact O-N 3.03Å; V1182-S1185 PolarHBondContact O-N 2.92Å; V1182-L1186 HydrophobicContact CG1-CD1 3.78Å; V1182-L1186 HydrophobicContact CG1-CG 4.36Å; V1182-L1186 WeakPolarHBondContact O-CG 3.45Å; V1182-L1186 PolarHBondContact O-N 3.25Å; V1182-L1216 HydrophobicContact CG2-CD2 4.24Å; V1182-I1219 HydrophobicContact CG2-CD1 3.6Å; V1182-I1219 HydrophobicContact CG2-CG2 4.17Å
1183K83.3Confident76.4Confident31 Ų3130.4 Ų30.414%0.13515%0.149CC..Hα-helixtrans-63-45.6-174.4-79.2-174.3178.9-172.10113.2L797 C1179 L1180 A1181 L1187 E1231 I1232L797-K1183 HydrophobicContact CD1-CB 4.17Å; L797-K1183 HydrophobicContact CD1-CD 4.07Å; L797-K1183 HydrophobicContact CD2-CB 4.14Å; C1179-K1183 VanDerWaalsContact O-CB 3.31Å; C1179-K1183 WeakPolarHBondContact O-CB 3.48Å; C1179-K1183 WeakPolarHBondContact O-CG 3.31Å; C1179-K1183 PolarHBondContact O-N 2.81Å; L1180-K1183 PolarHBondContact O-N 2.85Å; A1181-K1183 VanDerWaalsContact C-N 3.32Å; A1181-K1183 PolarHBondContact O-N 3.22Å; K1183-L1187 WeakPolarHBondContact O-CB 3.14Å; K1183-L1187 PolarHBondContact O-N 2.99Å; K1183-E1231 WeakPolarHBondContact CE-OE2 3.24Å; K1183-E1231 IonicContact NZ-OE1 3.72Å; K1183-E1231 PolarHBondContact NZ-OE1 3.4Å; K1183-E1231 IonicContact NZ-OE2 3.62Å; K1183-E1231 PolarHBondContact NZ-OE2 3.11Å; K1183-I1232 HydrophobicContact CB-CD1 3.54Å; K1183-I1232 HydrophobicContact CD-CD1 4.2Å; K1183-I1232 HydrophobicContact CD-CG1 4.48Å; K1183-I1232 HydrophobicContact CG-CD1 3.55Å; K1183-I1232 HydrophobicContact CG-CG1 4.05Å; K1183-I1232 WeakPolarHBondContact O-CD1 3.3Å
1184I83.3Confident74.8Confident2 Ų227.3 Ų27.31%0.0113%0.133CC..Hα-helixtrans-66.7-42.3176.3-57.5153.2000110.7S793 L796 I1138 L1141 V1142 L1145 L1180 V1182 L1187 S1188S793-I1184 WeakPolarHBondContact OG-CD1 3.27Å; L796-I1184 HydrophobicContact CD1-CG2 4.08Å; I1138-I1184 HydrophobicContact CG2-CG2 4.08Å; L1141-I1184 HydrophobicContact CD2-CD1 4.1Å; L1141-I1184 HydrophobicContact CD2-CG2 4.31Å; L1141-I1184 HydrophobicContact CG-CD1 4.43Å; V1142-I1184 HydrophobicContact CG2-CB 4.41Å; V1142-I1184 HydrophobicContact CG2-CG2 4.31Å; L1145-I1184 HydrophobicContact CD1-CD1 3.47Å; L1145-I1184 VanDerWaalsContact CD1-CD1 3.47Å; L1180-I1184 HydrophobicContact CG-CD1 4.32Å; L1180-I1184 VanDerWaalsContact O-CD1 3.3Å; L1180-I1184 WeakPolarHBondContact O-CD1 3.34Å; L1180-I1184 VanDerWaalsContact O-CG1 3.28Å; L1180-I1184 WeakPolarHBondContact O-CG1 3.41Å; L1180-I1184 PolarHBondContact O-N 2.96Å; L1180-I1184 VanDerWaalsContact O-N 3.1Å; V1182-I1184 PolarHBondContact O-N 3.03Å; I1184-L1187 PolarHBondContact O-N 3.3Å; I1184-S1188 WeakPolarHBondContact O-CB 3.3Å; I1184-S1188 PolarHBondContact O-N 2.74Å; I1184-S1188 PolarHBondContact O-OG 2.68Å
1185S82.9Confident73Confident1 Ų130.2 Ų30.21%0.00715%0.145CC..Hα-helixtrans-59.8-51.1-177.6-60.30000111A1181 V1182 S1188 L1189 L1212A1181-S1185 VanDerWaalsContact O-CB 3.29Å; A1181-S1185 WeakPolarHBondContact O-CB 3.49Å; A1181-S1185 PolarHBondContact O-N 3.18Å; A1181-S1185 VanDerWaalsContact O-N 3.07Å; A1181-S1185 PolarHBondContact O-OG 3.19Å; V1182-S1185 PolarHBondContact O-N 2.92Å; S1185-S1188 PolarHBondContact O-N 2.78Å; S1185-S1188 PolarHBondContact O-OG 2.96Å; S1185-L1189 WeakPolarHBondContact O-CD1 3.48Å; S1185-L1189 VanDerWaalsContact O-CG 3.31Å; S1185-L1189 WeakPolarHBondContact O-CG 3.36Å; S1185-L1189 PolarHBondContact O-N 3.4Å; S1185-L1189 VanDerWaalsContact O-N 3.11Å; S1185-L1212 WeakPolarHBondContact OG-CD1 3.27Å
1186L76.4Confident71.2Confident1 Ų130.9 Ų30.91%0.00515%0.147CC..Hα-helixtrans-61.6-46.9177.4-67.4173.8000111.9V1182 S1188 L1189 F1190 L1216 M1229 I1232 F1297V1182-L1186 HydrophobicContact CG1-CD1 3.78Å; V1182-L1186 HydrophobicContact CG1-CG 4.36Å; V1182-L1186 WeakPolarHBondContact O-CG 3.45Å; V1182-L1186 PolarHBondContact O-N 3.25Å; L1186-S1188 VanDerWaalsContact C-N 3.28Å; L1186-S1188 PolarHBondContact O-N 3.37Å; L1186-L1189 PolarHBondContact O-N 2.94Å; L1186-L1189 VanDerWaalsContact O-N 3.11Å; L1186-F1190 HydrophobicContact CB-CD2 4.43Å; L1186-F1190 HydrophobicContact CB-CE2 4.43Å; L1186-F1190 HydrophobicContact CD2-CE2 4.44Å; L1186-F1190 WeakPolarHBondContact O-CD2 3.48Å; L1186-F1190 PolarHBondContact O-N 3.18Å; L1186-L1216 HydrophobicContact CD2-CD1 4.34Å; L1186-M1229 HydrophobicContact CD1-CB 4.14Å; L1186-M1229 HydrophobicContact CD1-CE 4.45Å; L1186-M1229 HydrophobicContact CD1-CG 3.74Å; L1186-M1229 HydrophobicContact CD1-SD 4.41Å; L1186-M1229 HydrophobicContact CD2-CE 4.19Å; L1186-I1232 HydrophobicContact CB-CG2 4.17Å; L1186-F1297 HydrophobicContact CD2-CE1 4.47Å
1187L74Confident69.4Low20 Ų2031.3 Ų31.311%0.10517%0.167CC..Hα-helixtrans-51.9-46.6175.8171.864.3000112.1V800 K1183 I1184 L1189 F1190 Q1191V800-L1187 HydrophobicContact CB-CD1 4.43Å; V800-L1187 HydrophobicContact CG1-CD1 4.08Å; V800-L1187 HydrophobicContact CG2-CD1 3.55Å; V800-L1187 HydrophobicContact CG2-CD2 3.66Å; V800-L1187 HydrophobicContact CG2-CG 4.23Å; K1183-L1187 WeakPolarHBondContact O-CB 3.14Å; K1183-L1187 PolarHBondContact O-N 2.99Å; I1184-L1187 PolarHBondContact O-N 3.3Å; L1187-L1189 VanDerWaalsContact C-N 3.35Å; L1187-L1189 PolarHBondContact O-N 3.14Å; L1187-F1190 PolarHBondContact O-N 3.12Å; L1187-Q1191 PolarHBondContact O-N 3.47Å
1188S73.9Confident67.8Low6 Ų632.1 Ų32.14%0.04218%0.175CC..Hα-helixtrans-71.4-26.9-178.969.20000114.5I1131 I1184 S1185 L1186 L1212I1131-S1188 WeakPolarHBondContact CD1-O 3.41Å; I1184-S1188 WeakPolarHBondContact O-CB 3.3Å; I1184-S1188 PolarHBondContact O-N 2.74Å; I1184-S1188 PolarHBondContact O-OG 2.68Å; S1185-S1188 PolarHBondContact O-N 2.78Å; S1185-S1188 PolarHBondContact O-OG 2.96Å; L1186-S1188 VanDerWaalsContact C-N 3.28Å; L1186-S1188 PolarHBondContact O-N 3.37Å; S1188-L1212 VanDerWaalsContact OG-CD2 3.31Å; S1188-L1212 WeakPolarHBondContact OG-CD2 3.44Å
1189L73.6Confident66.6Low7 Ų735.2 Ų35.24%0.03719%0.191CC..Hα-helixtrans-77.6-29.4176.5-73.5165.6000112.6I1131 S1185 L1186 L1187 E1209 L1212 L1213 L1216 V1294I1131-L1189 HydrophobicContact CD1-CD2 4.25Å; S1185-L1189 WeakPolarHBondContact O-CD1 3.48Å; S1185-L1189 VanDerWaalsContact O-CG 3.31Å; S1185-L1189 WeakPolarHBondContact O-CG 3.36Å; S1185-L1189 PolarHBondContact O-N 3.4Å; S1185-L1189 VanDerWaalsContact O-N 3.11Å; L1186-L1189 PolarHBondContact O-N 2.94Å; L1186-L1189 VanDerWaalsContact O-N 3.11Å; L1187-L1189 VanDerWaalsContact C-N 3.35Å; L1187-L1189 PolarHBondContact O-N 3.14Å; L1189-E1209 HydrophobicContact CD2-CB 4.42Å; L1189-E1209 HydrophobicContact CD2-CG 4.25Å; L1189-L1212 HydrophobicContact CD1-CD2 4.18Å; L1189-L1212 HydrophobicContact CD1-CG 4.47Å; L1189-L1212 HydrophobicContact CD2-CD2 4.13Å; L1189-L1212 HydrophobicContact CG-CD2 3.86Å; L1189-L1213 HydrophobicContact CD1-CD2 3.89Å; L1189-L1213 HydrophobicContact CD1-CG 4.35Å; L1189-L1213 HydrophobicContact CD2-CG 4.33Å; L1189-L1216 HydrophobicContact CD1-CD1 3.73Å; L1189-V1294 HydrophobicContact CB-CG2 3.87Å; L1189-V1294 HydrophobicContact CD1-CG2 4.27Å; L1189-V1294 HydrophobicContact CD2-CG2 4.3Å; L1189-V1294 HydrophobicContact CG-CG2 4.37Å
1190F64Low65.2Low34 Ų3435.4 Ų35.415%0.14919%0.192CC..Hα-helixtrans-87.8-10.3-179.9-77.1-63000115L1186 L1187 Q1192 L1233 L1236 V1294 L1364L1186-F1190 HydrophobicContact CB-CD2 4.43Å; L1186-F1190 HydrophobicContact CB-CE2 4.43Å; L1186-F1190 HydrophobicContact CD2-CE2 4.44Å; L1186-F1190 WeakPolarHBondContact O-CD2 3.48Å; L1186-F1190 PolarHBondContact O-N 3.18Å; L1187-F1190 PolarHBondContact O-N 3.12Å; F1190-Q1192 PolarHBondContact O-N 3.38Å; F1190-L1233 HydrophobicContact CE2-CD2 3.83Å; F1190-L1233 HydrophobicContact CZ-CD2 3.68Å; F1190-L1236 HydrophobicContact CB-CD1 3.96Å; F1190-L1236 HydrophobicContact CD2-CD1 3.56Å; F1190-L1236 HydrophobicContact CE2-CD1 4.39Å; F1190-L1236 HydrophobicContact CG-CD1 4.04Å; F1190-V1294 HydrophobicContact CD1-CG1 4.44Å; F1190-V1294 HydrophobicContact CE1-CG1 3.69Å; F1190-V1294 HydrophobicContact CE2-CG1 3.9Å; F1190-V1294 HydrophobicContact CZ-CG1 3.37Å; F1190-L1364 HydrophobicContact CE1-CD1 4.26Å
1191Q62.1Low64Low67 Ų6736.5 Ų36.531%0.31320%0.196SC..  trans-71.5124.5179.8-176.4167.3-37.200112.2L1187L1187-Q1191 PolarHBondContact O-N 3.47Å
1192Q49.8Very low62.8Low41 Ų4137.6 Ų37.619%0.19220%0.201CC..  trans-60.1150.2175.4-63.2-169.726.600111.9F1190 W1277 L1280F1190-Q1192 PolarHBondContact O-N 3.38Å; Q1192-W1277 HydrophobicContact CG-CE3 4.16Å; Q1192-W1277 HydrophobicContact CG-CZ3 4.03Å; Q1192-W1277 PolarHBondContact NE2-O 3.17Å; Q1192-L1280 HydrophobicContact CB-CB 4.45Å; Q1192-L1280 VanDerWaalsContact CD-CB 3.47Å; Q1192-L1280 HydrophobicContact CG-CB 4.25Å; Q1192-L1280 HydrophobicContact CG-CD1 4.12Å; Q1192-L1280 PolarHBondContact OE1-O 2.8Å
1193R50.4Low61.6Low55 Ų5541.5 Ų41.521%0.20822%0.221CC..  trans-139.3129.5179.5-50-171-154.8130.619.7110.9E1209R1193-E1209 IonicContact CZ-OE1 2.78Å; R1193-E1209 IonicContact NH1-OE1 3.88Å; R1193-E1209 PolarHBondContact NH1-OE1 3.49Å; R1193-E1209 IonicContact NH2-OE1 3.93Å; R1193-E1209 PolarHBondContact NH2-OE1 2.99Å
1194R41.5Very low60.6Low103 Ų10340.2 Ų40.239%0.38922%0.217SC..  trans-71.3138.3160.1-103.4174.5167.2-170.1-4109.7D1127 V1196 I1282 I1283D1127-R1194 WeakPolarHBondContact OD1-CD 3.4Å; D1127-R1194 IonicContact OD1-CZ 2.8Å; D1127-R1194 IonicContact OD1-NE 2.75Å; D1127-R1194 IonicContact OD1-NH1 2.73Å; D1127-R1194 PolarHBondContact OD1-NH1 3.04Å; R1194-V1196 HydrophobicContact CB-CG2 4.15Å; R1194-V1196 PolarHBondContact O-N 3.23Å; R1194-V1196 VanDerWaalsContact O-N 3.15Å; R1194-I1282 PolarHBondContact NE-O 2.88Å; R1194-I1282 PolarHBondContact NH2-O 2.8Å; R1194-I1283 HydrophobicContact CG-CB 4.48Å
1195L42.7Very low59.8Low78 Ų7840.8 Ų40.841%0.40822%0.221SC..  trans-85.185.1177.3-103.7163.2000110.6L1202 H1285 D1287L1195-L1202 HydrophobicContact CD2-CB 3.96Å; L1195-L1202 HydrophobicContact CD2-CD1 4.17Å; L1195-L1202 HydrophobicContact CD2-CD2 4.31Å; L1195-L1202 HydrophobicContact CD2-CG 4.36Å; L1195-H1285 HydrophobicContact CD1-CB 3.79Å; L1195-D1287 HydrophobicContact CD1-CB 4.49Å
1196V40Very low58.9Low71 Ų7142.7 Ų42.743%0.4323%0.23SC..  trans-89.3118.6-177.3-175.30000111.7R1194 S1198R1194-V1196 HydrophobicContact CB-CG2 4.15Å; R1194-V1196 PolarHBondContact O-N 3.23Å; R1194-V1196 VanDerWaalsContact O-N 3.15Å; V1196-S1198 PolarHBondContact O-N 2.98Å
1197G47.6Very low58.5Low65 Ų6544.8 Ų44.867%0.6724%0.24SC*.SBendtrans96.4-75159.800000115.7E613E613-G1197 WeakPolarHBondContact OE2-CA 3.16Å
1198S52.9Low58.5Low31 Ų3144.4 Ų44.422%0.21724%0.237CC..  trans-150.5151.5-156.441.70000116.1E613 V1196 S1200 R1201 L1202E613-S1198 WeakPolarHBondContact CB-OG 3.17Å; E613-S1198 WeakPolarHBondContact OE2-CB 3.07Å; E613-S1198 PolarHBondContact OE2-OG 2.71Å; V1196-S1198 PolarHBondContact O-N 2.98Å; S1198-S1200 PolarHBondContact O-N 3.31Å; S1198-R1201 PolarHBondContact O-N 2.97Å; S1198-R1201 VanDerWaalsContact O-N 3.11Å; S1198-L1202 PolarHBondContact O-N 3.3Å
1199I58.2Low58.5Low92 Ų9244.4 Ų44.447%0.47224%0.237SC..Hα-helixtrans-58.3-33.4178.9-164.868.3000112.8R1201 L1202 L1203I1199-R1201 VanDerWaalsContact C-N 3.3Å; I1199-R1201 PolarHBondContact O-N 3.4Å; I1199-L1202 HydrophobicContact CD1-CD2 4.36Å; I1199-L1202 PolarHBondContact O-N 2.92Å; I1199-L1203 HydrophobicContact CG1-CD1 4.31Å; I1199-L1203 WeakPolarHBondContact O-CG 3.17Å; I1199-L1203 PolarHBondContact O-N 3.01Å
1200S54.7Low58.4Low24 Ų2447.4 Ų47.417%0.16826%0.255CS..Hα-helixtrans-55.2-44.3174.9-55.40000112.1D612 S1198 L1203 A1204D612-S1200 WeakPolarHBondContact OD1-CB 3.14Å; D612-S1200 WeakPolarHBondContact OD2-CB 3.4Å; D612-S1200 PolarHBondContact OD2-OG 2.95Å; S1198-S1200 PolarHBondContact O-N 3.31Å; S1200-L1203 PolarHBondContact O-N 3.45Å; S1200-A1204 WeakPolarHBondContact O-CB 3.48Å; S1200-A1204 PolarHBondContact O-N 3.39Å
1201R59.1Low58.9Low33 Ų3348.8 Ų48.813%0.12526%0.259CS..Hα-helixtrans-70.2-37.6-178-162.1175.2-167.8151.48.8111.7S616 S1198 I1199 A1204 C1205S616-R1201 PolarHBondContact OG-NH1 2.89Å; S1198-R1201 PolarHBondContact O-N 2.97Å; S1198-R1201 VanDerWaalsContact O-N 3.11Å; I1199-R1201 VanDerWaalsContact C-N 3.3Å; I1199-R1201 PolarHBondContact O-N 3.4Å; R1201-A1204 PolarHBondContact O-N 3.26Å; R1201-C1205 WeakPolarHBondContact O-CB 3.28Å; R1201-C1205 PolarHBondContact O-N 3.45Å; R1201-C1205 PolarHBondContact O-SG 2.87Å
1202L62.2Low59.8Low23 Ų2345.8 Ų45.812%0.1225%0.245CC..Hα-helixtrans-63.8-43.5172.6177.456.7000111.9L1195 S1198 I1199 C1205 Q1206 D1287L1195-L1202 HydrophobicContact CD2-CB 3.96Å; L1195-L1202 HydrophobicContact CD2-CD1 4.17Å; L1195-L1202 HydrophobicContact CD2-CD2 4.31Å; L1195-L1202 HydrophobicContact CD2-CG 4.36Å; S1198-L1202 PolarHBondContact O-N 3.3Å; I1199-L1202 HydrophobicContact CD1-CD2 4.36Å; I1199-L1202 PolarHBondContact O-N 2.92Å; L1202-C1205 WeakPolarHBondContact O-CB 3.43Å; L1202-C1205 PolarHBondContact O-N 3.14Å; L1202-Q1206 HydrophobicContact CD1-CG 4.08Å; L1202-Q1206 WeakPolarHBondContact O-CG 3.19Å; L1202-Q1206 PolarHBondContact O-N 2.67Å; L1202-D1287 HydrophobicContact CD2-CB 3.97Å
1203L61.6Low61.2Low86 Ų8644.9 Ų44.945%0.4524%0.242SC..Hα-helixtrans-65.6-39177.4-69.5170.8000112I1199 S1200 H1207I1199-L1203 HydrophobicContact CG1-CD1 4.31Å; I1199-L1203 WeakPolarHBondContact O-CG 3.17Å; I1199-L1203 PolarHBondContact O-N 3.01Å; S1200-L1203 PolarHBondContact O-N 3.45Å; L1203-H1207 WeakPolarHBondContact O-CB 3.37Å; L1203-H1207 PolarHBondContact O-N 3.3Å
1204A62.3Low62.6Low5 Ų546 Ų464%0.04126%0.255CS..Hα-helixtrans-63.2-45.1172.300000111.8S1200 R1201 H1207 Q1208S1200-A1204 WeakPolarHBondContact O-CB 3.48Å; S1200-A1204 PolarHBondContact O-N 3.39Å; R1201-A1204 PolarHBondContact O-N 3.26Å; A1204-H1207 PolarHBondContact O-N 2.8Å; A1204-Q1208 WeakPolarHBondContact O-CG 3.33Å; A1204-Q1208 PolarHBondContact O-N 3.35Å
1205C65.3Low64.4Low14 Ų1442.7 Ų42.710%0.09525%0.245CC..Hα-helixtrans-54.6-56.5172-75.90000111.9I1131 R1201 L1202 H1207 Q1208 E1209I1131-C1205 PolarHBondContact O-SG 3.24Å; R1201-C1205 WeakPolarHBondContact O-CB 3.28Å; R1201-C1205 PolarHBondContact O-N 3.45Å; R1201-C1205 PolarHBondContact O-SG 2.87Å; L1202-C1205 WeakPolarHBondContact O-CB 3.43Å; L1202-C1205 PolarHBondContact O-N 3.14Å; C1205-H1207 VanDerWaalsContact C-N 3.27Å; C1205-H1207 PolarHBondContact O-N 2.98Å; C1205-Q1208 PolarHBondContact O-N 3.43Å; C1205-E1209 WeakPolarHBondContact O-CG 3.28Å; C1205-E1209 PolarHBondContact O-N 3.42Å
1206Q65.5Low66.2Low40 Ų4039.1 Ų39.119%0.18723%0.226CC..Hα-helixtrans-60.2-35.9-178.3-73.1175.4-7.100112.2L1202 T1210L1202-Q1206 HydrophobicContact CD1-CG 4.08Å; L1202-Q1206 WeakPolarHBondContact O-CG 3.19Å; L1202-Q1206 PolarHBondContact O-N 2.67Å; Q1206-T1210 WeakPolarHBondContact O-CB 3.35Å; Q1206-T1210 PolarHBondContact O-N 2.69Å; Q1206-T1210 PolarHBondContact O-OG1 2.84Å
1207H68.2Low68Low46 Ų4640.2 Ų40.221%0.21323%0.23CC..Hα-helixtrans-67.8-45.3175.8-17826.1000112.2R570 L1203 A1204 C1205 T1210 R1211R570-H1207 PolarHBondContact NE-CD2 3.47Å; R570-H1207 PolarHBondContact NE-CE1 3.09Å; R570-H1207 PolarHBondContact NE-NE2 3.31Å; R570-H1207 PolarHBondContact NH2-CE1 3.26Å; R570-H1207 VanDerWaalsContact NH2-CE1 3.35Å; R570-H1207 PolarHBondContact NH2-ND1 3.36Å; L1203-H1207 WeakPolarHBondContact O-CB 3.37Å; L1203-H1207 PolarHBondContact O-N 3.3Å; A1204-H1207 PolarHBondContact O-N 2.8Å; C1205-H1207 VanDerWaalsContact C-N 3.27Å; C1205-H1207 PolarHBondContact O-N 2.98Å; H1207-T1210 PolarHBondContact O-N 2.84Å; H1207-R1211 PolarHBondContact O-N 2.87Å
1208Q73.9Confident69.5Low12 Ų1241.7 Ų41.76%0.05623%0.225CC..Hα-helixtrans-65.2-42.2177.3-68.9179.925.400111.5I1131 L1133 R1136 A1204 C1205 T1210 R1211 L1212I1131-Q1208 HydrophobicContact CG2-CB 3.59Å; L1133-Q1208 PolarHBondContact O-NE2 3.18Å; R1136-Q1208 HydrophobicContact CG-CG 4.43Å; A1204-Q1208 WeakPolarHBondContact O-CG 3.33Å; A1204-Q1208 PolarHBondContact O-N 3.35Å; C1205-Q1208 PolarHBondContact O-N 3.43Å; Q1208-T1210 PolarHBondContact O-N 3.37Å; Q1208-R1211 PolarHBondContact O-N 3.08Å; Q1208-L1212 WeakPolarHBondContact O-CB 3.34Å; Q1208-L1212 PolarHBondContact O-N 3.42Å
1209E72.8Confident70.7Confident6 Ų640.6 Ų40.63%0.02822%0.217CC..Hα-helixtrans-56-48.1171.1-74.8173.2-17400112I1131 L1189 R1193 C1205 R1211 L1212 L1213 P1290I1131-E1209 HydrophobicContact CD1-CG 4.4Å; I1131-E1209 HydrophobicContact CG2-CG 4.13Å; L1189-E1209 HydrophobicContact CD2-CB 4.42Å; L1189-E1209 HydrophobicContact CD2-CG 4.25Å; R1193-E1209 IonicContact CZ-OE1 2.78Å; R1193-E1209 IonicContact NH1-OE1 3.88Å; R1193-E1209 PolarHBondContact NH1-OE1 3.49Å; R1193-E1209 IonicContact NH2-OE1 3.93Å; R1193-E1209 PolarHBondContact NH2-OE1 2.99Å; C1205-E1209 WeakPolarHBondContact O-CG 3.28Å; C1205-E1209 PolarHBondContact O-N 3.42Å; E1209-R1211 VanDerWaalsContact C-N 3.34Å; E1209-R1211 PolarHBondContact O-N 3.31Å; E1209-L1212 PolarHBondContact O-N 3.24Å; E1209-L1213 WeakPolarHBondContact O-CB 3.2Å; E1209-L1213 WeakPolarHBondContact O-CG 3.39Å; E1209-L1213 PolarHBondContact O-N 2.63Å; E1209-P1290 WeakPolarHBondContact OE1-CG 3.49Å
1210T72.2Confident71.5Confident70 Ų7039 Ų3943%0.42921%0.213SC..Hα-helixtrans-62.9-42.4-179.4-57.60000110.8Q1206 H1207 Q1208 L1213 T1214Q1206-T1210 WeakPolarHBondContact O-CB 3.35Å; Q1206-T1210 PolarHBondContact O-N 2.69Å; Q1206-T1210 PolarHBondContact O-OG1 2.84Å; H1207-T1210 PolarHBondContact O-N 2.84Å; Q1208-T1210 PolarHBondContact O-N 3.37Å; T1210-L1213 PolarHBondContact O-N 3.34Å; T1210-T1214 WeakPolarHBondContact O-CG2 3.45Å; T1210-T1214 PolarHBondContact O-N 2.8Å; T1210-T1214 PolarHBondContact O-OG1 3.06Å
1211R74.9Confident72.5Confident63 Ų6341.2 Ų41.224%0.23822%0.219CC..Hα-helixtrans-65-42.4176.6-174.6161.8156.6-179.4-4111.5L1139 E1143 H1207 Q1208 E1209 T1214 L1215L1139-R1211 HydrophobicContact CD1-CG 4.26Å; L1139-R1211 HydrophobicContact CD2-CB 4.44Å; L1139-R1211 HydrophobicContact CD2-CG 4.02Å; E1143-R1211 IonicContact OE1-CZ 3.32Å; E1143-R1211 IonicContact OE1-NE 3.19Å; E1143-R1211 IonicContact OE1-NH2 3.5Å; E1143-R1211 PolarHBondContact OE1-NH2 2.79Å; E1143-R1211 IonicContact OE2-NH2 3.85Å; H1207-R1211 PolarHBondContact O-N 2.87Å; Q1208-R1211 PolarHBondContact O-N 3.08Å; E1209-R1211 VanDerWaalsContact C-N 3.34Å; E1209-R1211 PolarHBondContact O-N 3.31Å; R1211-T1214 WeakPolarHBondContact CA-OG1 3.4Å; R1211-T1214 PolarHBondContact O-N 3.3Å; R1211-T1214 PolarHBondContact O-OG1 3.01Å; R1211-L1215 WeakPolarHBondContact O-CG 3.38Å; R1211-L1215 PolarHBondContact O-N 2.93Å
1212L81Confident73.1Confident3 Ų343.2 Ų43.22%0.01623%0.233CC..Hα-helixtrans-64.3-42.5176.8-172.163.5000112.3I1131 L1139 V1142 S1185 S1188 L1189 Q1208 E1209 T1214 L1215 L1216I1131-L1212 HydrophobicContact CD1-CD2 3.92Å; L1139-L1212 HydrophobicContact CD1-CB 4.18Å; L1139-L1212 HydrophobicContact CD1-CD1 4.16Å; V1142-L1212 HydrophobicContact CB-CD1 4.45Å; V1142-L1212 HydrophobicContact CG1-CD1 4.2Å; V1142-L1212 HydrophobicContact CG2-CD1 4.26Å; S1185-L1212 WeakPolarHBondContact OG-CD1 3.27Å; S1188-L1212 VanDerWaalsContact OG-CD2 3.31Å; S1188-L1212 WeakPolarHBondContact OG-CD2 3.44Å; L1189-L1212 HydrophobicContact CD1-CD2 4.18Å; L1189-L1212 HydrophobicContact CD1-CG 4.47Å; L1189-L1212 HydrophobicContact CD2-CD2 4.13Å; L1189-L1212 HydrophobicContact CG-CD2 3.86Å; Q1208-L1212 WeakPolarHBondContact O-CB 3.34Å; Q1208-L1212 PolarHBondContact O-N 3.42Å; E1209-L1212 PolarHBondContact O-N 3.24Å; L1212-T1214 VanDerWaalsContact C-N 3.34Å; L1212-T1214 PolarHBondContact O-N 2.98Å; L1212-L1215 PolarHBondContact O-N 3.3Å; L1212-L1216 PolarHBondContact O-N 2.96Å
1213L78.3Confident73.5Confident23 Ų2344.7 Ų44.712%0.1224%0.242CC..Hα-helixtrans-63.8-37.1172.5-74.4169.3000111.8L1189 E1209 T1210 L1216 N1217 V1294 F1297L1189-L1213 HydrophobicContact CD1-CD2 3.89Å; L1189-L1213 HydrophobicContact CD1-CG 4.35Å; L1189-L1213 HydrophobicContact CD2-CG 4.33Å; E1209-L1213 WeakPolarHBondContact O-CB 3.2Å; E1209-L1213 WeakPolarHBondContact O-CG 3.39Å; E1209-L1213 PolarHBondContact O-N 2.63Å; T1210-L1213 PolarHBondContact O-N 3.34Å; L1213-L1216 PolarHBondContact O-N 3.36Å; L1213-N1217 PolarHBondContact O-N 3.49Å; L1213-N1217 VanDerWaalsContact O-N 3.09Å; L1213-N1217 PolarHBondContact O-ND2 3.26Å; L1213-V1294 HydrophobicContact CD2-CG2 4.42Å; L1213-F1297 HydrophobicContact CD2-CB 4.34Å; L1213-F1297 HydrophobicContact CD2-CG 4.39Å
1214T80.2Confident74Confident78 Ų7844 Ų4448%0.47924%0.242SC..Hα-helixtrans-67.7-35.7173.752.20000113T1210 R1211 L1212 N1217 T1218T1210-T1214 WeakPolarHBondContact O-CG2 3.45Å; T1210-T1214 PolarHBondContact O-N 2.8Å; T1210-T1214 PolarHBondContact O-OG1 3.06Å; R1211-T1214 WeakPolarHBondContact CA-OG1 3.4Å; R1211-T1214 PolarHBondContact O-N 3.3Å; R1211-T1214 PolarHBondContact O-OG1 3.01Å; L1212-T1214 VanDerWaalsContact C-N 3.34Å; L1212-T1214 PolarHBondContact O-N 2.98Å; T1214-N1217 PolarHBondContact O-N 3.05Å; T1214-T1218 PolarHBondContact O-N 3.4Å
1215L79.6Confident74.6Confident34 Ų3443.9 Ų43.918%0.17824%0.241CC..Hα-helixtrans-64.5-46.4173.1-70.4171.1000111.1L1139 V1142 E1143 L1146 R1211 L1212 N1217 T1218L1139-L1215 HydrophobicContact CD1-CD1 3.84Å; V1142-L1215 HydrophobicContact CG1-CD1 4.48Å; E1143-L1215 HydrophobicContact CG-CD1 4.2Å; L1146-L1215 HydrophobicContact CD1-CB 4.25Å; L1146-L1215 HydrophobicContact CD1-CD2 4.2Å; R1211-L1215 WeakPolarHBondContact O-CG 3.38Å; R1211-L1215 PolarHBondContact O-N 2.93Å; L1212-L1215 PolarHBondContact O-N 3.3Å; L1215-N1217 PolarHBondContact O-N 3.28Å; L1215-T1218 PolarHBondContact O-N 3.3Å; L1215-T1218 PolarHBondContact O-OG1 2.9Å
1216L80.2Confident75Confident3 Ų343.3 Ų43.32%0.01624%0.237CC..Hα-helixtrans-57.8-32.4174.5-80177.9000113.4V1182 L1186 L1189 L1212 L1213 T1218 I1219 F1297V1182-L1216 HydrophobicContact CG2-CD2 4.24Å; L1186-L1216 HydrophobicContact CD2-CD1 4.34Å; L1189-L1216 HydrophobicContact CD1-CD1 3.73Å; L1212-L1216 PolarHBondContact O-N 2.96Å; L1213-L1216 PolarHBondContact O-N 3.36Å; L1216-T1218 VanDerWaalsContact C-N 3.27Å; L1216-T1218 PolarHBondContact O-N 3.28Å; L1216-I1219 HydrophobicContact CD2-CD1 3.96Å; L1216-F1297 HydrophobicContact CB-CE1 4.23Å; L1216-F1297 HydrophobicContact CB-CE2 4.17Å; L1216-F1297 HydrophobicContact CB-CZ 3.72Å; L1216-F1297 HydrophobicContact CD1-CE1 4.05Å; L1216-F1297 HydrophobicContact CD1-CZ 4.39Å
1217N78.7Confident75.3Confident94 Ų9444.4 Ų44.450%0.50324%0.244SC..THydrogen-bonded Turntrans-77.1-5.8174.9-80.7-82.1000114.3L1213 T1214 L1215L1213-N1217 PolarHBondContact O-N 3.49Å; L1213-N1217 VanDerWaalsContact O-N 3.09Å; L1213-N1217 PolarHBondContact O-ND2 3.26Å; T1214-N1217 PolarHBondContact O-N 3.05Å; L1215-N1217 PolarHBondContact O-N 3.28Å
1218T78.3Confident75.7Confident95 Ų9543.1 Ų43.158%0.58324%0.239SC*.THydrogen-bonded Turntrans-96.9-6.4172.756.40000114T1214 L1215 L1216T1214-T1218 PolarHBondContact O-N 3.4Å; L1215-T1218 PolarHBondContact O-N 3.3Å; L1215-T1218 PolarHBondContact O-OG1 2.9Å; L1216-T1218 VanDerWaalsContact C-N 3.27Å; L1216-T1218 PolarHBondContact O-N 3.28Å
1219I78.5Confident75.8Confident9 Ų942.6 Ų42.65%0.04624%0.237CC..SBendtrans-78.6138.6177.6-61179.5000109.5L1146 L1178 V1182 L1216 T1225L1146-I1219 HydrophobicContact CD2-CD1 4.03Å; L1146-I1219 HydrophobicContact CD2-CG1 4.03Å; L1178-I1219 HydrophobicContact CD2-CG2 4.46Å; V1182-I1219 HydrophobicContact CG2-CD1 3.6Å; V1182-I1219 HydrophobicContact CG2-CG2 4.17Å; L1216-I1219 HydrophobicContact CD2-CD1 3.96Å; I1219-T1225 HydrophobicContact CG2-CG2 4.12Å
1220P73.4Confident75.6Confident58 Ų5842.8 Ų42.838%0.37724%0.238SC..  trans-58146.8176.625-35.7000112.5L1178 D1222 T1225 Y1301L1178-P1220 HydrophobicContact CD1-CG 4.04Å; P1220-D1222 VanDerWaalsContact C-N 3.34Å; P1220-D1222 PolarHBondContact O-N 3.29Å; P1220-T1225 PolarHBondContact O-OG1 3.23Å; P1220-Y1301 PolarHBondContact O-OH 3.37Å
1221K76.4Confident75.6Confident70 Ų7042 Ų4230%0.30423%0.23SC..  trans-94.860.1-172.7-72.2-175.9173.4172.60111.2Y1301 D1304 T1305K1221-Y1301 HydrophobicContact CG-CD2 4.28Å; K1221-Y1301 HydrophobicContact CG-CE2 3.83Å; K1221-D1304 HydrophobicContact CD-CB 4.05Å; K1221-D1304 IonicContact NZ-OD2 2.77Å; K1221-D1304 PolarHBondContact NZ-OD2 3.46Å; K1221-T1305 HydrophobicContact CB-CG2 4.21Å; K1221-T1305 WeakPolarHBondContact O-CG2 3.36Å
1222D72.7Confident75.4Confident76 Ų7639.3 Ų39.341%0.40622%0.22SC..  trans-91.1162.2-172-54.9-25.1000112.3P1220 T1224 T1225 A1226P1220-D1222 VanDerWaalsContact C-N 3.34Å; P1220-D1222 PolarHBondContact O-N 3.29Å; D1222-T1224 PolarHBondContact O-N 2.89Å; D1222-T1225 PolarHBondContact N-OG1 2.97Å; D1222-T1225 VanDerWaalsContact N-OG1 3.13Å; D1222-T1225 PolarHBondContact O-N 3.49Å; D1222-T1225 PolarHBondContact O-OG1 3.46Å; D1222-A1226 WeakPolarHBondContact O-CB 3.41Å; D1222-A1226 PolarHBondContact O-N 3.38Å
1223V69.6Low74.8Confident54 Ų5439.6 Ų39.633%0.32722%0.222SC..Hα-helixtrans-59.6-35.4175.2175.80000111.3L1227 F1314V1223-L1227 HydrophobicContact CG1-CD1 3.93Å; V1223-L1227 HydrophobicContact CG1-CG 4.39Å; V1223-L1227 WeakPolarHBondContact O-CB 3.37Å; V1223-L1227 VanDerWaalsContact O-CG 3.24Å; V1223-L1227 WeakPolarHBondContact O-CG 3.45Å; V1223-L1227 PolarHBondContact O-N 3.03Å; V1223-F1314 HydrophobicContact CG1-CE2 3.97Å; V1223-F1314 HydrophobicContact CG1-CZ 3.96Å; V1223-F1314 HydrophobicContact CG2-CE2 4.41Å
1224T72.1Confident74.1Confident72 Ų7240 Ų4044%0.44223%0.226SC..Hα-helixtrans-68.1-44.717950.60000112.9D1222 L1227 T1228D1222-T1224 PolarHBondContact O-N 2.89Å; T1224-L1227 PolarHBondContact O-N 3.21Å; T1224-T1228 PolarHBondContact O-N 3.35Å; T1224-T1228 VanDerWaalsContact O-N 3.07Å; T1224-T1228 PolarHBondContact O-OG1 3.29Å
1225T75.3Confident73.3Confident2 Ų238.8 Ų38.81%0.01222%0.215CC..Hα-helixtrans-68.7-39.5176.4550000110.9I1219 P1220 D1222 T1228 M1229 Y1301I1219-T1225 HydrophobicContact CG2-CG2 4.12Å; P1220-T1225 PolarHBondContact O-OG1 3.23Å; D1222-T1225 PolarHBondContact N-OG1 2.97Å; D1222-T1225 VanDerWaalsContact N-OG1 3.13Å; D1222-T1225 PolarHBondContact O-N 3.49Å; D1222-T1225 PolarHBondContact O-OG1 3.46Å; T1225-T1228 PolarHBondContact O-N 2.94Å; T1225-T1228 PolarHBondContact O-OG1 3.23Å; T1225-M1229 VanDerWaalsContact O-CB 3.32Å; T1225-M1229 WeakPolarHBondContact O-CB 3.5Å; T1225-M1229 PolarHBondContact O-N 3.48Å; T1225-Y1301 WeakPolarHBondContact CB-OH 3.41Å; T1225-Y1301 PolarHBondContact OG1-OH 3.25Å
1226A72.6Confident72.3Confident1 Ų138.9 Ų38.91%0.00822%0.215CC..Hα-helixtrans-61-44.5172.700000112.6D1222 T1228 M1229 C1230 Y1301 T1305D1222-A1226 WeakPolarHBondContact O-CB 3.41Å; D1222-A1226 PolarHBondContact O-N 3.38Å; A1226-T1228 PolarHBondContact O-N 3.23Å; A1226-M1229 WeakPolarHBondContact O-CB 3.17Å; A1226-M1229 PolarHBondContact O-N 3.29Å; A1226-C1230 PolarHBondContact O-N 3.48Å; A1226-C1230 PolarHBondContact O-SG 3.17Å; A1226-Y1301 HydrophobicContact CB-CE1 4.41Å; A1226-T1305 HydrophobicContact CB-CG2 4.25Å
1227L71.7Confident71.1Confident64 Ų6439.5 Ų39.534%0.33522%0.219SC..Hα-helixtrans-62.9-41.4176.8-77.5169000112.4V1223 T1224 M1229 C1230 E1231 F1314V1223-L1227 HydrophobicContact CG1-CD1 3.93Å; V1223-L1227 HydrophobicContact CG1-CG 4.39Å; V1223-L1227 WeakPolarHBondContact O-CB 3.37Å; V1223-L1227 VanDerWaalsContact O-CG 3.24Å; V1223-L1227 WeakPolarHBondContact O-CG 3.45Å; V1223-L1227 PolarHBondContact O-N 3.03Å; T1224-L1227 PolarHBondContact O-N 3.21Å; L1227-M1229 VanDerWaalsContact C-N 3.33Å; L1227-C1230 PolarHBondContact O-N 2.82Å; L1227-E1231 PolarHBondContact O-N 2.84Å; L1227-F1314 HydrophobicContact CD2-CE1 3.79Å; L1227-F1314 HydrophobicContact CD2-CZ 4.29Å; L1227-F1314 HydrophobicContact CG-CE1 4.27Å; L1227-F1314 HydrophobicContact CG-CZ 4.28Å
1228T77.2Confident69.5Low18 Ų1836.4 Ų36.411%0.1121%0.208CC..Hα-helixtrans-70.9-29.2176.754.70000113.6C1179 T1224 T1225 A1226 I1232C1179-T1228 HydrophobicContact CB-CG2 4Å; T1224-T1228 PolarHBondContact O-N 3.35Å; T1224-T1228 VanDerWaalsContact O-N 3.07Å; T1224-T1228 PolarHBondContact O-OG1 3.29Å; T1225-T1228 PolarHBondContact O-N 2.94Å; T1225-T1228 PolarHBondContact O-OG1 3.23Å; A1226-T1228 PolarHBondContact O-N 3.23Å; T1228-I1232 PolarHBondContact O-N 2.6Å
1229M77.1Confident67.7Low2 Ų237.5 Ų37.51%0.0122%0.217CC..Hα-helixtrans-66.6-44.3169.9-178.8161-169.900111.2L1186 T1225 A1226 L1227 I1232 L1233 F1297 V1298 Y1301L1186-M1229 HydrophobicContact CD1-CB 4.14Å; L1186-M1229 HydrophobicContact CD1-CE 4.45Å; L1186-M1229 HydrophobicContact CD1-CG 3.74Å; L1186-M1229 HydrophobicContact CD1-SD 4.41Å; L1186-M1229 HydrophobicContact CD2-CE 4.19Å; T1225-M1229 VanDerWaalsContact O-CB 3.32Å; T1225-M1229 WeakPolarHBondContact O-CB 3.5Å; T1225-M1229 PolarHBondContact O-N 3.48Å; A1226-M1229 WeakPolarHBondContact O-CB 3.17Å; A1226-M1229 PolarHBondContact O-N 3.29Å; L1227-M1229 VanDerWaalsContact C-N 3.33Å; M1229-I1232 PolarHBondContact O-N 3.11Å; M1229-L1233 HydrophobicContact CG-CD1 4.18Å; M1229-L1233 WeakPolarHBondContact O-CB 3.5Å; M1229-L1233 VanDerWaalsContact O-CG 3.27Å; M1229-L1233 WeakPolarHBondContact O-CG 3.31Å; M1229-L1233 PolarHBondContact O-N 2.91Å; M1229-F1297 HydrophobicContact CE-CD1 3.8Å; M1229-F1297 HydrophobicContact CE-CE1 3.6Å; M1229-F1297 HydrophobicContact SD-CE1 4.32Å; M1229-V1298 HydrophobicContact CE-CB 3.86Å; M1229-V1298 HydrophobicContact CE-CG1 4.21Å; M1229-V1298 HydrophobicContact CE-CG2 3.41Å; M1229-V1298 VanDerWaalsContact CE-CG2 3.41Å; M1229-Y1301 HydrophobicContact SD-CD1 3.81Å; M1229-Y1301 HydrophobicContact SD-CE1 4.26Å; M1229-Y1301 HydrophobicContact SD-CG 3.99Å
1230C67.8Low65.7Low10 Ų1039.1 Ų39.17%0.06823%0.228CC..Hα-helixtrans-62.7-43.3171.5-72.30000112.6A1226 L1227 I1232 L1233 C1234A1226-C1230 PolarHBondContact O-N 3.48Å; A1226-C1230 PolarHBondContact O-SG 3.17Å; L1227-C1230 PolarHBondContact O-N 2.82Å; C1230-I1232 VanDerWaalsContact C-N 3.29Å; C1230-I1232 PolarHBondContact O-N 3.24Å; C1230-L1233 CarbonylContact O-C 3.57Å; C1230-L1233 PolarHBondContact O-N 3.05Å; C1230-L1233 VanDerWaalsContact O-N 3.11Å; C1230-C1234 PolarHBondContact O-N 3.21Å; C1230-C1234 PolarHBondContact O-SG 3.43Å
1231E72.9Confident63.9Low53 Ų5344.4 Ų44.425%0.24825%0.252CS..Hα-helixtrans-55.1-44.4177.2-169.4-150.1137.100111.6K801 K1183 L1227 C1234 Q1235K801-E1231 IonicContact NZ-OE1 3.77Å; K801-E1231 PolarHBondContact NZ-OE1 2.93Å; K1183-E1231 WeakPolarHBondContact CE-OE2 3.24Å; K1183-E1231 IonicContact NZ-OE1 3.72Å; K1183-E1231 PolarHBondContact NZ-OE1 3.4Å; K1183-E1231 IonicContact NZ-OE2 3.62Å; K1183-E1231 PolarHBondContact NZ-OE2 3.11Å; L1227-E1231 PolarHBondContact O-N 2.84Å; E1231-C1234 WeakPolarHBondContact O-CB 3.23Å; E1231-C1234 PolarHBondContact O-N 3.33Å; E1231-Q1235 WeakPolarHBondContact O-CG 3.32Å; E1231-Q1235 PolarHBondContact O-N 3.19Å; E1231-Q1235 VanDerWaalsContact O-N 3.13Å; E1231-Q1235 PolarHBondContact OE1-NE2 2.89Å
1232I70.7Confident61.7Low6 Ų645.1 Ų45.13%0.03126%0.262CS..Hα-helixtrans-73.8-35.9176.8-82.4-157.3000112.4L797 K1183 L1186 T1228 M1229 C1230 C1234 Q1235 L1236L797-I1232 HydrophobicContact CD2-CD1 4.19Å; K1183-I1232 HydrophobicContact CB-CD1 3.54Å; K1183-I1232 HydrophobicContact CD-CD1 4.2Å; K1183-I1232 HydrophobicContact CD-CG1 4.48Å; K1183-I1232 HydrophobicContact CG-CD1 3.55Å; K1183-I1232 HydrophobicContact CG-CG1 4.05Å; K1183-I1232 WeakPolarHBondContact O-CD1 3.3Å; L1186-I1232 HydrophobicContact CB-CG2 4.17Å; T1228-I1232 PolarHBondContact O-N 2.6Å; M1229-I1232 PolarHBondContact O-N 3.11Å; C1230-I1232 VanDerWaalsContact C-N 3.29Å; C1230-I1232 PolarHBondContact O-N 3.24Å; I1232-C1234 VanDerWaalsContact C-N 3.29Å; I1232-C1234 PolarHBondContact O-N 3.02Å; I1232-Q1235 CarbonylContact O-C 3.6Å; I1232-Q1235 PolarHBondContact O-N 3.11Å; I1232-L1236 HydrophobicContact CG2-CD1 3.52Å; I1232-L1236 HydrophobicContact CG2-CG 4.04Å; I1232-L1236 VanDerWaalsContact O-CB 3.29Å; I1232-L1236 WeakPolarHBondContact O-CB 3.5Å; I1232-L1236 WeakPolarHBondContact O-CG 3.34Å; I1232-L1236 PolarHBondContact O-N 3.47Å
1233L67.2Low59.5Low10 Ų1047.4 Ų47.45%0.05228%0.284CS..Hα-helixtrans-63.1-35.6172.5-71.5167.3000111.4F1190 M1229 C1230 L1236 L1237 V1298 M1360 L1364F1190-L1233 HydrophobicContact CE2-CD2 3.83Å; F1190-L1233 HydrophobicContact CZ-CD2 3.68Å; M1229-L1233 HydrophobicContact CG-CD1 4.18Å; M1229-L1233 WeakPolarHBondContact O-CB 3.5Å; M1229-L1233 VanDerWaalsContact O-CG 3.27Å; M1229-L1233 WeakPolarHBondContact O-CG 3.31Å; M1229-L1233 PolarHBondContact O-N 2.91Å; C1230-L1233 CarbonylContact O-C 3.57Å; C1230-L1233 PolarHBondContact O-N 3.05Å; C1230-L1233 VanDerWaalsContact O-N 3.11Å; L1233-L1236 CarbonylContact O-C 3.49Å; L1233-L1236 PolarHBondContact O-N 3.35Å; L1233-L1237 HydrophobicContact CB-CD1 4.18Å; L1233-L1237 HydrophobicContact CD2-CD1 4.43Å; L1233-L1237 WeakPolarHBondContact O-CB 3.5Å; L1233-L1237 WeakPolarHBondContact O-CD1 3.45Å; L1233-L1237 WeakPolarHBondContact O-CG 3.4Å; L1233-L1237 PolarHBondContact O-N 3.4Å; L1233-V1298 HydrophobicContact CD1-CG1 3.64Å; L1233-V1298 HydrophobicContact CD1-CG2 4.36Å; L1233-V1298 HydrophobicContact CD2-CG2 4.45Å; L1233-M1360 HydrophobicContact CB-CE 4.45Å; L1233-L1364 HydrophobicContact CD2-CD2 4.25Å
1234C64.3Low57.4Low31 Ų3148.6 Ų48.621%0.20930%0.295CS..Hα-helixtrans-61.1-49.1170.1-64.50000111.4C1230 E1231 I1232 L1236 L1237 G1238 M1360C1230-C1234 PolarHBondContact O-N 3.21Å; C1230-C1234 PolarHBondContact O-SG 3.43Å; E1231-C1234 WeakPolarHBondContact O-CB 3.23Å; E1231-C1234 PolarHBondContact O-N 3.33Å; I1232-C1234 VanDerWaalsContact C-N 3.29Å; I1232-C1234 PolarHBondContact O-N 3.02Å; C1234-L1236 VanDerWaalsContact C-N 3.28Å; C1234-L1236 PolarHBondContact O-N 3.02Å; C1234-L1237 PolarHBondContact O-N 3.22Å; C1234-G1238 PolarHBondContact O-N 3.29Å; C1234-G1238 VanDerWaalsContact O-N 3.16Å; C1234-M1360 HydrophobicContact CB-CE 4.14Å; C1234-M1360 WeakPolarHBondContact SG-CE 3.4Å
1235Q63.5Low55.2Low52 Ų5251.9 Ų51.924%0.24332%0.315CS..Hα-helixtrans-66.1-28.3-179.5-70.1163.823.500113T804 E1231 I1232T804-Q1235 WeakPolarHBondContact CG2-O 3.31Å; E1231-Q1235 WeakPolarHBondContact O-CG 3.32Å; E1231-Q1235 PolarHBondContact O-N 3.19Å; E1231-Q1235 VanDerWaalsContact O-N 3.13Å; E1231-Q1235 PolarHBondContact OE1-NE2 2.89Å; I1232-Q1235 CarbonylContact O-C 3.6Å; I1232-Q1235 PolarHBondContact O-N 3.11Å
1236L58.1Low52.7Low36 Ų3657.1 Ų57.119%0.18835%0.352CS..Hα-helixtrans-102.62.6-179.8-63-179.1000114.5F1190 I1232 L1233 C1234 W1276F1190-L1236 HydrophobicContact CB-CD1 3.96Å; F1190-L1236 HydrophobicContact CD2-CD1 3.56Å; F1190-L1236 HydrophobicContact CE2-CD1 4.39Å; F1190-L1236 HydrophobicContact CG-CD1 4.04Å; I1232-L1236 HydrophobicContact CG2-CD1 3.52Å; I1232-L1236 HydrophobicContact CG2-CG 4.04Å; I1232-L1236 VanDerWaalsContact O-CB 3.29Å; I1232-L1236 WeakPolarHBondContact O-CB 3.5Å; I1232-L1236 WeakPolarHBondContact O-CG 3.34Å; I1232-L1236 PolarHBondContact O-N 3.47Å; L1233-L1236 CarbonylContact O-C 3.49Å; L1233-L1236 PolarHBondContact O-N 3.35Å; C1234-L1236 VanDerWaalsContact C-N 3.28Å; C1234-L1236 PolarHBondContact O-N 3.02Å; L1236-W1276 WeakPolarHBondContact O-CH2 3.37Å; L1236-W1276 WeakPolarHBondContact O-CZ3 3.43Å
1237L56.1Low50.6Low17 Ų1763.2 Ų63.29%0.08939%0.391CS..Hα-helixtrans-116.3-14173.5-68.8168.5000114L1233 C1234 W1276 M1360 L1364L1233-L1237 HydrophobicContact CB-CD1 4.18Å; L1233-L1237 HydrophobicContact CD2-CD1 4.43Å; L1233-L1237 WeakPolarHBondContact O-CB 3.5Å; L1233-L1237 WeakPolarHBondContact O-CD1 3.45Å; L1233-L1237 WeakPolarHBondContact O-CG 3.4Å; L1233-L1237 PolarHBondContact O-N 3.4Å; C1234-L1237 PolarHBondContact O-N 3.22Å; L1237-W1276 VanDerWaalsContact CA-CH2 3.45Å; L1237-W1276 HydrophobicContact CD2-CH2 4.15Å; L1237-W1276 HydrophobicContact CD2-CZ2 4.45Å; L1237-W1276 WeakPolarHBondContact O-CZ2 3.33Å; L1237-M1360 HydrophobicContact CD1-CE 4.09Å; L1237-L1364 HydrophobicContact CD1-CB 4.27Å; L1237-L1364 HydrophobicContact CD2-CB 4.42Å; L1237-L1364 HydrophobicContact CD2-CD1 4.18Å
1238G44.9Very low48.3Very low28 Ų2865.7 Ų65.729%0.28941%0.414SS..  trans71.9168-166.300000112.2C1234C1234-G1238 PolarHBondContact O-N 3.29Å; C1234-G1238 VanDerWaalsContact O-N 3.16Å
1239P38.9Very low45.8Very low118 Ų11869.8 Ų69.877%0.76644%0.443SS*.  trans-62.2131.4168.327.6-33.1000109.4
1240P37.7Very low43.4Very low43 Ų4377.3 Ų77.328%0.27948%0.482SS..  trans-69.1133.1174.129.1-32.5000109.7T1242 I1355P1240-T1242 PolarHBondContact O-N 2.98Å; P1240-I1355 HydrophobicContact CG-CD1 4.06Å; P1240-I1355 HydrophobicContact CG-CG1 3.95Å; P1240-I1355 HydrophobicContact CG-CG2 3.83Å
1241I35.4Very low41.4Very low170 Ų17082.1 Ų82.187%0.87252%0.516SS*.  trans-70.1113.5176.2-52.4173.9000107.8S1243I1241-S1243 PolarHBondContact O-N 3.42Å
1242T30.4Very low39.2Very low84 Ų8484.7 Ų84.752%0.51554%0.54SS..  trans-7496.3-175.844.50000111.5P1240 S1244P1240-T1242 PolarHBondContact O-N 2.98Å; T1242-S1244 PolarHBondContact O-N 2.9Å
1243S26.2Very low37.2Very low125 Ų12589 Ų8987%0.87457%0.571SS**  trans-75.872.8171.662.50000111.2I1241I1241-S1243 PolarHBondContact O-N 3.42Å
1244S24.9Very low35.1Very low79 Ų7993.4 Ų93.455%0.55260%0.603SS**  trans-128.471.2-175.560.20000112.6T1242T1242-S1244 PolarHBondContact O-N 2.9Å
1245T26.9Very low33.3Very low140 Ų14097 Ų9786%0.85963%0.628SS**  trans-135.594.1167.9320000110.5
1246S23.1Very low31.5Very low113 Ų11399.6 Ų99.679%0.7965%0.652SS**  trans-120.6100.8174.153.10000109.7
1247P27.2Very low30Very low129 Ų129102.6 Ų102.684%0.83868%0.676SS**  trans-93.1118-17733.3-31.1000112.7
1248S24.2Very low28.6Very low115 Ų115108.9 Ų108.980%0.80471%0.709SS**  trans-161.3134.5165.154.70000107
1249S24.4Very low27.6Very low104 Ų104118.1 Ų118.173%0.72774%0.735SS**  cis-128.3163.611.151.10000110.8
1250L27.7Very low27Very low160 Ų160120.3 Ų120.384%0.83874%0.739SS**  -163.315379.4-93.2142.9000112.5
1251S24.5Very low26.5Very low111 Ų111125.8 Ų125.878%0.77676%0.764SS**  trans-73.1163.7160.451.80000110.8
1252S26.6Very low26Very low107 Ų107120.9 Ų120.975%0.74874%0.74SS**  cis-146.51789.156.80000108.6
1253S28Very low25.6Very low96 Ų96126 Ų12667%0.67176%0.755SS**  cis-153.916323.1-50.50000112.2
1254S25.1Very low25.5Very low104 Ų104129 Ų12973%0.72775%0.753SS**  trans11.7139.8149.654.40000121.8
1255S24.9Very low25.4Very low106 Ų106131.9 Ų131.974%0.74176%0.762SS**  cis-170.9144.5-0.1-92.20000113
1256S26Very low25.3Very low106 Ų106136 Ų13674%0.74176%0.764SS**  trans35.5149146.361.80000123.4
1257S26.7Very low25.3Very low99 Ų99138.9 Ų138.969%0.69276%0.764SS**  cis-174.5165.7-11.4-84.30000106.8
1258L26Very low25.2Very low149 Ų149138.2 Ų138.278%0.7876%0.763SS**  -166135.856.1-79.2166.8000108.2
1259R23.8Very low25.2Very low222 Ų222140 Ų14084%0.83877%0.769SS**  64.1115.779.8-69.3-161.3-167.9-157.310.3118.2
1260I27Very low25.3Very low165 Ų165138.3 Ų138.385%0.84676%0.761SS**  trans-178143143.3-99.1157.2000104.9
1261L27.1Very low25.2Very low157 Ų157136.5 Ų136.582%0.82275%0.752SS**  cis-140179.313.5-135.9161.2000110.2
1262N24.7Very low25.3Very low67 Ų67139.2 Ų139.236%0.35875%0.754SS.*  trans-131.7157.9174.3-108.6-56.2000110.2R842 M843 L844R842-N1262 PolarHBondContact O-ND2 2.91Å; R842-N1262 PolarHBondContact O-OD1 3.39Å; M843-N1262 WeakPolarHBondContact CA-OD1 3.47Å; L844-N1262 PolarHBondContact N-ND2 3.36Å
1263K23.1Very low25.4Very low193 Ų193141.2 Ų141.284%0.83976%0.756SS**  trans83.4156169-146.4175.3-175.2-177.20114.5
1264F24.4Very low25.5Very low187 Ų187142.1 Ų142.182%0.8275%0.753SS**  trans67.1139.4-154.1-51.8-69.5000112.6
1265D22.8Very low26Very low140 Ų140145.2 Ų145.275%0.74975%0.749SS**  cis-152.6168.5-16.4-130.8-19.9000114.9H1267D1265-H1267 VanDerWaalsContact C-N 3.31Å; D1265-H1267 PolarHBondContact O-N 3.46Å; D1265-H1267 VanDerWaalsContact O-N 3.11Å
1266Y24.7Very low26.8Very low227 Ų227144.7 Ų144.789%0.8973%0.731SS**SBendtrans-80.857.5175.3-116.1-91.4000112.6
1267H22Very low27.4Very low173 Ų173142.8 Ų142.880%0.80171%0.708SS**  trans-155.196.1173.5-110.7-78.9000114.8D1265D1265-H1267 VanDerWaalsContact C-N 3.31Å; D1265-H1267 PolarHBondContact O-N 3.46Å; D1265-H1267 VanDerWaalsContact O-N 3.11Å
1268S25.1Very low27.7Very low115 Ų115140.5 Ų140.580%0.80469%0.692SS**  trans-175.460.7150.5-86.30000112.8A1270S1268-A1270 VanDerWaalsContact C-N 3.26Å; S1268-A1270 PolarHBondContact O-N 3.25Å; S1268-A1270 VanDerWaalsContact O-N 3.1Å
1269T25.7Very low28.1Very low152 Ų152137.9 Ų137.993%0.93369%0.686SS**  trans-81.271165.647.30000110.4
1270A25.3Very low28.5Very low69 Ų69132.6 Ų132.657%0.5767%0.673SS**  trans-144155.3-179.100000113.4S1268 M1272S1268-A1270 VanDerWaalsContact C-N 3.26Å; S1268-A1270 PolarHBondContact O-N 3.25Å; S1268-A1270 VanDerWaalsContact O-N 3.1Å; A1270-M1272 PolarHBondContact O-N 3.28Å
1271L25.9Very low28.5Very low121 Ų121127 Ų12763%0.63466%0.656SS**SBendtrans65.4-17.5162.8-60.2175.1000121.8W1275L1271-W1275 HydrophobicContact CD2-CZ2 4.22Å
1272M26.4Very low28.6Very low168 Ų168126 Ų12683%0.82865%0.651SS**SBendtrans-120.123.4-173.7-71.7-66.4158.700117.5A1270A1270-M1272 PolarHBondContact O-N 3.28Å
1273N29.6Very low28.7Very low149 Ų149128 Ų12880%0.79766%0.66SS**SBendtrans-145.719.9175.8-100.1-77.7000115.1
1274L29.6Very low29.2Very low116 Ų116121.4 Ų121.461%0.60764%0.636SS**  trans-124.2-167.9-175.3-67.7155000110.4
1275W35.1Very low29.6Very low168 Ų168117.5 Ų117.564%0.63662%0.62SS**SBendtrans86.52.7161.3-61.412.6000120.3L1271 S1278 S1279L1271-W1275 HydrophobicContact CD2-CZ2 4.22Å; W1275-S1278 PolarHBondContact N-OG 2.85Å; W1275-S1279 PolarHBondContact O-OG 3.12Å
1276W42.2Very low30.4Very low95 Ų95112.7 Ų112.736%0.3660%0.597SS.*SBendtrans-125.1-25.2168.789.8-90.4000115.1L1236 L1237 R1367L1236-W1276 WeakPolarHBondContact O-CH2 3.37Å; L1236-W1276 WeakPolarHBondContact O-CZ3 3.43Å; L1237-W1276 VanDerWaalsContact CA-CH2 3.45Å; L1237-W1276 HydrophobicContact CD2-CH2 4.15Å; L1237-W1276 HydrophobicContact CD2-CZ2 4.45Å; L1237-W1276 WeakPolarHBondContact O-CZ2 3.33Å; W1276-R1367 VanDerWaalsContact CZ2-NH1 3.3Å
1277W38Very low31.1Very low67 Ų67103.2 Ų103.225%0.25456%0.562SS.*SBendtrans-86.1-21.9152.8-76.272.9000112.2Q1192 F1371Q1192-W1277 HydrophobicContact CG-CE3 4.16Å; Q1192-W1277 HydrophobicContact CG-CZ3 4.03Å; Q1192-W1277 PolarHBondContact NE2-O 3.17Å; W1277-F1371 HydrophobicContact CE3-CE2 4.39Å
1278S34.3Very low32.3Very low51 Ų5197.3 Ų97.336%0.35754%0.538SS..G310 helixtrans-78.1-25.4-176-40.70000113.5W1275 L1280 G1281W1275-S1278 PolarHBondContact N-OG 2.85Å; S1278-L1280 PolarHBondContact O-N 2.9Å; S1278-G1281 PolarHBondContact O-N 3.36Å
1279S32.5Very low33.5Very low94 Ų9494.4 Ų94.466%0.65751%0.51SS*.G310 helixtrans-74.614.1177-53.40000113.5W1275W1275-S1279 PolarHBondContact O-OG 3.12Å
1280L32.7Very low34.8Very low111 Ų11187.7 Ų87.758%0.58147%0.469SS*.G310 helixtrans-130.17.3171.4-70.9169.7000111.8Q1192 S1278Q1192-L1280 HydrophobicContact CB-CB 4.45Å; Q1192-L1280 VanDerWaalsContact CD-CB 3.47Å; Q1192-L1280 HydrophobicContact CG-CB 4.25Å; Q1192-L1280 HydrophobicContact CG-CD1 4.12Å; Q1192-L1280 PolarHBondContact OE1-O 2.8Å; S1278-L1280 PolarHBondContact O-N 2.9Å
1281G27.2Very low36.5Very low47 Ų4786.2 Ų86.249%0.48545%0.451SS..  trans-67.8171.3177.100000113.1S1278S1278-G1281 PolarHBondContact O-N 3.36Å
1282I28.8Very low38.3Very low137 Ų13781 Ų8170%0.70342%0.423SS*.SBendcis-134.8160.612.9-68.2172.2000109.4R1194R1194-I1282 PolarHBondContact NE-O 2.88Å; R1194-I1282 PolarHBondContact NH2-O 2.8Å
1283I28Very low40.1Very low108 Ų10873.2 Ų73.255%0.55439%0.385SS*.  trans8792.8-170.5-49.7169000112.4R1194R1194-I1283 HydrophobicContact CG-CB 4.48Å
1284V32.3Very low41.9Very low54 Ų5466.1 Ų66.133%0.32735%0.348SS..  trans-112.6124.8162.6-179.70000107.6T1288 F1371V1284-T1288 VanDerWaalsContact CG1-OG1 3.31Å; V1284-T1288 WeakPolarHBondContact CG1-OG1 3.43Å; V1284-F1371 HydrophobicContact CG1-CE1 4.19Å
1285H33.2Very low43.8Very low105 Ų10560.7 Ų60.749%0.48632%0.319SS..  trans-90.2162.1176.8-159.9-105.3000111L1195 D1287 T1288L1195-H1285 HydrophobicContact CD1-CB 3.79Å; H1285-D1287 IonicContact CE1-OD2 2.76Å; H1285-D1287 PolarHBondContact CE1-OD2 3.33Å; H1285-D1287 VanDerWaalsContact CE1-OD2 3.29Å; H1285-D1287 IonicContact CG-OD2 3.17Å; H1285-D1287 IonicContact ND1-OD2 3.74Å; H1285-D1287 PolarHBondContact ND1-OD2 3.12Å; H1285-D1287 PolarHBondContact O-N 3.2Å; H1285-T1288 PolarHBondContact O-OG1 3.46Å
1286S39.2Very low45.4Very low40 Ų4053.9 Ų53.928%0.2829%0.294SS..THydrogen-bonded Turntrans-65.7-2-175.859.90000116Y1667S1286-Y1667 WeakPolarHBondContact OG-CE2 3.21Å; S1286-Y1667 PolarHBondContact OG-OH 2.95Å
1287D39.3Very low46.9Very low28 Ų2850.1 Ų50.115%0.1528%0.281CS..THydrogen-bonded Turntrans-97.718.6-177.5-58.4-73.3000114.6L1195 L1202 H1285 Y1289L1195-D1287 HydrophobicContact CD1-CB 4.49Å; L1202-D1287 HydrophobicContact CD2-CB 3.97Å; H1285-D1287 IonicContact CE1-OD2 2.76Å; H1285-D1287 PolarHBondContact CE1-OD2 3.33Å; H1285-D1287 VanDerWaalsContact CE1-OD2 3.29Å; H1285-D1287 IonicContact CG-OD2 3.17Å; H1285-D1287 IonicContact ND1-OD2 3.74Å; H1285-D1287 PolarHBondContact ND1-OD2 3.12Å; H1285-D1287 PolarHBondContact O-N 3.2Å; D1287-Y1289 PolarHBondContact O-N 2.92Å
1288T48.5Very low48.5Very low48 Ų4847 Ų4729%0.29427%0.269SS..  trans-76.769.8-174.3-51.50000112.6V1284 H1285 I1291V1284-T1288 VanDerWaalsContact CG1-OG1 3.31Å; V1284-T1288 WeakPolarHBondContact CG1-OG1 3.43Å; H1285-T1288 PolarHBondContact O-OG1 3.46Å; T1288-I1291 HydrophobicContact CG2-CD1 4.04Å; T1288-I1291 HydrophobicContact CG2-CG1 4.31Å
1289Y48.7Very low50.3Low54 Ų5444.8 Ų44.821%0.21225%0.253CS..THydrogen-bonded Turntrans-59.1-29.3-174.5-162.5-112.7000118.2D1287 S1293 L1674 R1677D1287-Y1289 PolarHBondContact O-N 2.92Å; Y1289-S1293 PolarHBondContact O-OG 2.95Å; Y1289-L1674 HydrophobicContact CD2-CD2 4.28Å; Y1289-R1677 PolarHBondContact OH-NH2 3.28Å
1290P54.4Low52.2Low12 Ų1244 Ų448%0.07824%0.242CC..Hα-helixtrans-70.8-34.1-174.624.6-33.7000113.8E1209 H1292 S1293 V1294E1209-P1290 WeakPolarHBondContact OE1-CG 3.49Å; P1290-H1292 PolarHBondContact O-N 3.3Å; P1290-S1293 CarbonylContact O-C 3.59Å; P1290-S1293 WeakPolarHBondContact O-CA 3.32Å; P1290-S1293 WeakPolarHBondContact O-CB 3.39Å; P1290-S1293 PolarHBondContact O-N 3.36Å; P1290-V1294 HydrophobicContact CB-CG2 4.36Å; P1290-V1294 WeakPolarHBondContact O-CB 3.45Å; P1290-V1294 WeakPolarHBondContact O-CG2 3.23Å; P1290-V1294 PolarHBondContact O-N 3.38Å
1291I60Low54.1Low37 Ų3739 Ų3919%0.1922%0.215CC..Hα-helixtrans-58.8-48.5-169.3-60.5175.9000111.8T1288 A1295 A1368T1288-I1291 HydrophobicContact CG2-CD1 4.04Å; T1288-I1291 HydrophobicContact CG2-CG1 4.31Å; I1291-A1295 VanDerWaalsContact O-CB 3.3Å; I1291-A1295 WeakPolarHBondContact O-CB 3.42Å; I1291-A1295 PolarHBondContact O-N 3.31Å; I1291-A1368 HydrophobicContact CG2-CB 3.98Å
1292H64.5Low56Low11 Ų1137.5 Ų37.55%0.05120%0.196CC..Hα-helixtrans-67.4-37.2175.3-61.8-73.8000112.5P1290 E1296 A1368 S1372 R1677P1290-H1292 PolarHBondContact O-N 3.3Å; H1292-E1296 WeakPolarHBondContact O-CB 3.45Å; H1292-E1296 PolarHBondContact O-N 3.05Å; H1292-A1368 PolarHBondContact CE1-O 2.74Å; H1292-S1372 PolarHBondContact CE1-OG 2.73Å; H1292-S1372 VanDerWaalsContact CE1-OG 3.29Å; H1292-S1372 PolarHBondContact NE2-OG 3.31Å; H1292-R1677 HydrophobicContact CB-CB 4.37Å
1293S63.9Low57.9Low5 Ų532.6 Ų32.64%0.03517%0.171CC..Hα-helixtrans-67-37.7-179.9-56.10000112.3Y1289 P1290 F1297 R1677Y1289-S1293 PolarHBondContact O-OG 2.95Å; P1290-S1293 CarbonylContact O-C 3.59Å; P1290-S1293 WeakPolarHBondContact O-CA 3.32Å; P1290-S1293 WeakPolarHBondContact O-CB 3.39Å; P1290-S1293 PolarHBondContact O-N 3.36Å; S1293-F1297 WeakPolarHBondContact O-CB 3.22Å; S1293-F1297 PolarHBondContact O-N 2.87Å; S1293-R1677 PolarHBondContact OG-NH1 3.36Å; S1293-R1677 PolarHBondContact OG-NH2 3.18Å
1294V67.2Low59.8Low1 Ų129.7 Ų29.71%0.00616%0.157CC..Hα-helixtrans-77.5-40.9177.9177.30000110.2L1189 F1190 L1213 P1290 F1297 V1298L1189-V1294 HydrophobicContact CB-CG2 3.87Å; L1189-V1294 HydrophobicContact CD1-CG2 4.27Å; L1189-V1294 HydrophobicContact CD2-CG2 4.3Å; L1189-V1294 HydrophobicContact CG-CG2 4.37Å; F1190-V1294 HydrophobicContact CD1-CG1 4.44Å; F1190-V1294 HydrophobicContact CE1-CG1 3.69Å; F1190-V1294 HydrophobicContact CE2-CG1 3.9Å; F1190-V1294 HydrophobicContact CZ-CG1 3.37Å; L1213-V1294 HydrophobicContact CD2-CG2 4.42Å; P1290-V1294 HydrophobicContact CB-CG2 4.36Å; P1290-V1294 WeakPolarHBondContact O-CB 3.45Å; P1290-V1294 WeakPolarHBondContact O-CG2 3.23Å; P1290-V1294 PolarHBondContact O-N 3.38Å; V1294-F1297 PolarHBondContact O-N 3.28Å; V1294-V1298 HydrophobicContact CG1-CG2 4.16Å; V1294-V1298 WeakPolarHBondContact O-CB 3.4Å; V1294-V1298 WeakPolarHBondContact O-CG2 3.45Å; V1294-V1298 PolarHBondContact O-N 2.89Å
1295A69Low61.3Low1 Ų127.8 Ų27.81%0.00815%0.145CC..Hα-helixtrans-62.9-41.3172.500000112.1I1291 L1299 A1368 L1681I1291-A1295 VanDerWaalsContact O-CB 3.3Å; I1291-A1295 WeakPolarHBondContact O-CB 3.42Å; I1291-A1295 PolarHBondContact O-N 3.31Å; A1295-L1299 WeakPolarHBondContact O-CB 3.01Å; A1295-L1299 PolarHBondContact O-N 3.49Å; A1295-A1368 HydrophobicContact CB-CB 4.12Å; A1295-L1681 HydrophobicContact CB-CD1 4.16Å
1296E68.4Low62.6Low25 Ų2527.9 Ų27.912%0.11715%0.146CC..Hα-helixtrans-63.1-40.5172.4-174.9175.4-16300111.2H1292 N1300 R1677 R1680H1292-E1296 WeakPolarHBondContact O-CB 3.45Å; H1292-E1296 PolarHBondContact O-N 3.05Å; E1296-N1300 VanDerWaalsContact O-CB 3.32Å; E1296-N1300 WeakPolarHBondContact O-CB 3.35Å; E1296-N1300 VanDerWaalsContact O-CG 3.26Å; E1296-N1300 PolarHBondContact O-N 3.46Å; E1296-N1300 VanDerWaalsContact O-N 3.08Å; E1296-N1300 PolarHBondContact O-ND2 3.49Å; E1296-R1677 IonicContact OE2-CZ 3.46Å; E1296-R1677 IonicContact OE2-NH1 2.68Å; E1296-R1677 PolarHBondContact OE2-NH1 3.5Å; E1296-R1680 WeakPolarHBondContact OE1-CD 3.21Å; E1296-R1680 IonicContact OE1-CZ 4Å; E1296-R1680 IonicContact OE1-NE 3.55Å; E1296-R1680 IonicContact OE1-NH1 2.68Å; E1296-R1680 PolarHBondContact OE1-NH1 3.45Å
1297F74.2Confident63.6Low16 Ų1633.1 Ų33.17%0.0716%0.163CC..Hα-helixtrans-64.5-51.8173.8174.8-105000112.5L1186 L1213 L1216 M1229 S1293 V1294 L1299 N1300 Y1301L1186-F1297 HydrophobicContact CD2-CE1 4.47Å; L1213-F1297 HydrophobicContact CD2-CB 4.34Å; L1213-F1297 HydrophobicContact CD2-CG 4.39Å; L1216-F1297 HydrophobicContact CB-CE1 4.23Å; L1216-F1297 HydrophobicContact CB-CE2 4.17Å; L1216-F1297 HydrophobicContact CB-CZ 3.72Å; L1216-F1297 HydrophobicContact CD1-CE1 4.05Å; L1216-F1297 HydrophobicContact CD1-CZ 4.39Å; M1229-F1297 HydrophobicContact CE-CD1 3.8Å; M1229-F1297 HydrophobicContact CE-CE1 3.6Å; M1229-F1297 HydrophobicContact SD-CE1 4.32Å; S1293-F1297 WeakPolarHBondContact O-CB 3.22Å; S1293-F1297 PolarHBondContact O-N 2.87Å; V1294-F1297 PolarHBondContact O-N 3.28Å; F1297-L1299 PolarHBondContact O-N 3.49Å; F1297-N1300 PolarHBondContact O-N 2.91Å; F1297-Y1301 HydrophobicContact CE1-CD2 4.34Å; F1297-Y1301 AromaticContact CE2-CD2 3.91Å; F1297-Y1301 HydrophobicContact CE2-CD2 3.91Å; F1297-Y1301 AromaticContact CZ-CD2 3.59Å; F1297-Y1301 HydrophobicContact CZ-CD2 3.59Å; F1297-Y1301 HydrophobicContact CZ-CE2 4.06Å; F1297-Y1301 HydrophobicContact CZ-CG 4.43Å; F1297-Y1301 WeakPolarHBondContact O-CB 3.46Å; F1297-Y1301 PolarHBondContact O-N 3.35Å
1298V72.9Confident64.3Low2 Ų237.1 Ų37.11%0.01218%0.184CC..Hα-helixtrans-55.6-49.6179.1171.10000111.1M1229 L1233 V1294 Y1301 L1302 L1364M1229-V1298 HydrophobicContact CE-CB 3.86Å; M1229-V1298 HydrophobicContact CE-CG1 4.21Å; M1229-V1298 HydrophobicContact CE-CG2 3.41Å; M1229-V1298 VanDerWaalsContact CE-CG2 3.41Å; L1233-V1298 HydrophobicContact CD1-CG1 3.64Å; L1233-V1298 HydrophobicContact CD1-CG2 4.36Å; L1233-V1298 HydrophobicContact CD2-CG2 4.45Å; V1294-V1298 HydrophobicContact CG1-CG2 4.16Å; V1294-V1298 WeakPolarHBondContact O-CB 3.4Å; V1294-V1298 WeakPolarHBondContact O-CG2 3.45Å; V1294-V1298 PolarHBondContact O-N 2.89Å; V1298-Y1301 PolarHBondContact O-N 3.39Å; V1298-L1302 HydrophobicContact CG1-CD1 3.95Å; V1298-L1302 WeakPolarHBondContact O-CG 3.46Å; V1298-L1302 PolarHBondContact O-N 3.1Å; V1298-L1364 HydrophobicContact CB-CD2 4.11Å; V1298-L1364 HydrophobicContact CG1-CD2 3.76Å; V1298-L1364 HydrophobicContact CG2-CD2 4.22Å
1299L71.4Confident64Low5 Ų538 Ų383%0.02619%0.186CC..Hα-helixtrans-64.1-44.5-178.8-177.753.9000111.6A1295 F1297 L1303 V1361 V1365 A1684 V1688A1295-L1299 WeakPolarHBondContact O-CB 3.01Å; A1295-L1299 PolarHBondContact O-N 3.49Å; F1297-L1299 PolarHBondContact O-N 3.49Å; L1299-L1303 HydrophobicContact CD1-CD1 3.73Å; L1299-L1303 HydrophobicContact CD1-CG 4.03Å; L1299-L1303 HydrophobicContact CG-CD1 3.84Å; L1299-L1303 VanDerWaalsContact O-CB 3.23Å; L1299-L1303 WeakPolarHBondContact O-CB 3.46Å; L1299-L1303 WeakPolarHBondContact O-CD1 3.43Å; L1299-L1303 WeakPolarHBondContact O-CG 3.48Å; L1299-L1303 PolarHBondContact O-N 3.14Å; L1299-V1361 HydrophobicContact CD1-CG1 3.63Å; L1299-V1365 HydrophobicContact CD2-CG1 4.46Å; L1299-V1365 HydrophobicContact CD2-CG2 4.36Å; L1299-A1684 HydrophobicContact CD2-CB 3.45Å; L1299-A1684 VanDerWaalsContact CD2-CB 3.45Å; L1299-A1684 HydrophobicContact CG-CB 4.24Å; L1299-V1688 HydrophobicContact CD1-CG2 4.44Å
1300N72.3Confident63.6Low77 Ų7745.2 Ų45.241%0.41222%0.222SC..Hα-helixtrans-68.2-35.1176.6-73.1-46.8000112.9E1296 F1297 D1304E1296-N1300 VanDerWaalsContact O-CB 3.32Å; E1296-N1300 WeakPolarHBondContact O-CB 3.35Å; E1296-N1300 VanDerWaalsContact O-CG 3.26Å; E1296-N1300 PolarHBondContact O-N 3.46Å; E1296-N1300 VanDerWaalsContact O-N 3.08Å; E1296-N1300 PolarHBondContact O-ND2 3.49Å; F1297-N1300 PolarHBondContact O-N 2.91Å; N1300-D1304 WeakPolarHBondContact O-CB 3.49Å; N1300-D1304 VanDerWaalsContact O-CG 3.26Å; N1300-D1304 PolarHBondContact O-N 3.35Å
1301Y71.7Confident62.7Low6 Ų648.5 Ų48.52%0.02424%0.239CC..Hα-helixtrans-63.6-50177.6-157.6-85000110.6P1220 K1221 T1225 A1226 M1229 F1297 V1298 D1304 T1305P1220-Y1301 PolarHBondContact O-OH 3.37Å; K1221-Y1301 HydrophobicContact CG-CD2 4.28Å; K1221-Y1301 HydrophobicContact CG-CE2 3.83Å; T1225-Y1301 WeakPolarHBondContact CB-OH 3.41Å; T1225-Y1301 PolarHBondContact OG1-OH 3.25Å; A1226-Y1301 HydrophobicContact CB-CE1 4.41Å; M1229-Y1301 HydrophobicContact SD-CD1 3.81Å; M1229-Y1301 HydrophobicContact SD-CE1 4.26Å; M1229-Y1301 HydrophobicContact SD-CG 3.99Å; F1297-Y1301 HydrophobicContact CE1-CD2 4.34Å; F1297-Y1301 AromaticContact CE2-CD2 3.91Å; F1297-Y1301 HydrophobicContact CE2-CD2 3.91Å; F1297-Y1301 AromaticContact CZ-CD2 3.59Å; F1297-Y1301 HydrophobicContact CZ-CD2 3.59Å; F1297-Y1301 HydrophobicContact CZ-CE2 4.06Å; F1297-Y1301 HydrophobicContact CZ-CG 4.43Å; F1297-Y1301 WeakPolarHBondContact O-CB 3.46Å; F1297-Y1301 PolarHBondContact O-N 3.35Å; V1298-Y1301 PolarHBondContact O-N 3.39Å; Y1301-D1304 PolarHBondContact O-N 3Å; Y1301-T1305 HydrophobicContact CD1-CG2 4.41Å; Y1301-T1305 HydrophobicContact CE1-CG2 4.42Å; Y1301-T1305 PolarHBondContact O-N 2.93Å; Y1301-T1305 PolarHBondContact O-OG1 3.18Å
1302L69Low61.6Low15 Ų1553 Ų538%0.07927%0.268CS..Hα-helixtrans-67-41.5178.3-65.4171.8000112.5V1298 D1304 T1305 Q1306 I1357 V1361V1298-L1302 HydrophobicContact CG1-CD1 3.95Å; V1298-L1302 WeakPolarHBondContact O-CG 3.46Å; V1298-L1302 PolarHBondContact O-N 3.1Å; L1302-D1304 VanDerWaalsContact C-N 3.26Å; L1302-D1304 PolarHBondContact O-N 2.89Å; L1302-T1305 PolarHBondContact O-N 3.02Å; L1302-T1305 PolarHBondContact O-OG1 3.26Å; L1302-T1305 VanDerWaalsContact O-OG1 3.05Å; L1302-Q1306 WeakPolarHBondContact O-CB 3.32Å; L1302-Q1306 WeakPolarHBondContact O-CG 3.42Å; L1302-Q1306 PolarHBondContact O-N 3.25Å; L1302-I1357 HydrophobicContact CD1-CG2 4.19Å; L1302-V1361 HydrophobicContact CD1-CG2 3.58Å
1303L67.4Low60.2Low35 Ų3555.4 Ų55.418%0.18329%0.286CS..Hα-helixtrans-66.1-26.6175.7-74.8172000113.1L1299 K1307 V1688L1299-L1303 HydrophobicContact CD1-CD1 3.73Å; L1299-L1303 HydrophobicContact CD1-CG 4.03Å; L1299-L1303 HydrophobicContact CG-CD1 3.84Å; L1299-L1303 VanDerWaalsContact O-CB 3.23Å; L1299-L1303 WeakPolarHBondContact O-CB 3.46Å; L1299-L1303 WeakPolarHBondContact O-CD1 3.43Å; L1299-L1303 WeakPolarHBondContact O-CG 3.48Å; L1299-L1303 PolarHBondContact O-N 3.14Å; L1303-K1307 WeakPolarHBondContact O-CD 3.28Å; L1303-K1307 WeakPolarHBondContact O-CE 3.5Å; L1303-K1307 WeakPolarHBondContact O-CG 3.3Å; L1303-V1688 HydrophobicContact CD2-CG2 4.1Å
1304D68.5Low58.8Low47 Ų4757.4 Ų57.425%0.25129%0.294SS..Hα-helixtrans-79.5-40.1173.8-75.3-17.6000111.7K1221 N1300 Y1301 L1302 Q1306 K1307 I1308K1221-D1304 HydrophobicContact CD-CB 4.05Å; K1221-D1304 IonicContact NZ-OD2 2.77Å; K1221-D1304 PolarHBondContact NZ-OD2 3.46Å; N1300-D1304 WeakPolarHBondContact O-CB 3.49Å; N1300-D1304 VanDerWaalsContact O-CG 3.26Å; N1300-D1304 PolarHBondContact O-N 3.35Å; Y1301-D1304 PolarHBondContact O-N 3Å; L1302-D1304 VanDerWaalsContact C-N 3.26Å; L1302-D1304 PolarHBondContact O-N 2.89Å; D1304-Q1306 VanDerWaalsContact C-N 3.31Å; D1304-Q1306 PolarHBondContact O-N 3.42Å; D1304-K1307 PolarHBondContact O-N 2.7Å; D1304-K1307 VanDerWaalsContact O-N 3.11Å; D1304-K1307 IonicContact OD1-NZ 2.76Å; D1304-K1307 PolarHBondContact OD1-NZ 3.14Å; D1304-I1308 WeakPolarHBondContact O-CG1 3.22Å; D1304-I1308 PolarHBondContact O-N 3.45Å
1305T64.2Low57.5Low14 Ų1461.2 Ų61.29%0.08631%0.314CS..Hα-helixtrans-66.2-32.1175.156.20000112.7K1221 A1226 Y1301 L1302 K1307 I1308K1221-T1305 HydrophobicContact CB-CG2 4.21Å; K1221-T1305 WeakPolarHBondContact O-CG2 3.36Å; A1226-T1305 HydrophobicContact CB-CG2 4.25Å; Y1301-T1305 HydrophobicContact CD1-CG2 4.41Å; Y1301-T1305 HydrophobicContact CE1-CG2 4.42Å; Y1301-T1305 PolarHBondContact O-N 2.93Å; Y1301-T1305 PolarHBondContact O-OG1 3.18Å; L1302-T1305 PolarHBondContact O-N 3.02Å; L1302-T1305 PolarHBondContact O-OG1 3.26Å; L1302-T1305 VanDerWaalsContact O-OG1 3.05Å; T1305-K1307 VanDerWaalsContact C-N 3.27Å; T1305-K1307 PolarHBondContact O-N 2.8Å; T1305-I1308 PolarHBondContact O-N 2.91Å
1306Q60.8Low55.7Low107 Ų10765.2 Ų65.250%0.534%0.339SS..Hα-helixtrans-63.2-24.8170.7-80.3-178.1-21.300114.2L1302 D1304L1302-Q1306 WeakPolarHBondContact O-CB 3.32Å; L1302-Q1306 WeakPolarHBondContact O-CG 3.42Å; L1302-Q1306 PolarHBondContact O-N 3.25Å; D1304-Q1306 VanDerWaalsContact C-N 3.31Å; D1304-Q1306 PolarHBondContact O-N 3.42Å
1307K59.2Low54Low149 Ų14968.3 Ų68.365%0.64836%0.362SS*.Hα-helixtrans-83.5-26.8178.8-66.6161.8-160.8152.80113.2L1303 D1304 T1305L1303-K1307 WeakPolarHBondContact O-CD 3.28Å; L1303-K1307 WeakPolarHBondContact O-CE 3.5Å; L1303-K1307 WeakPolarHBondContact O-CG 3.3Å; D1304-K1307 PolarHBondContact O-N 2.7Å; D1304-K1307 VanDerWaalsContact O-N 3.11Å; D1304-K1307 IonicContact OD1-NZ 2.76Å; D1304-K1307 PolarHBondContact OD1-NZ 3.14Å; T1305-K1307 VanDerWaalsContact C-N 3.27Å; T1305-K1307 PolarHBondContact O-N 2.8Å
1308I54.6Low51.7Low112 Ų11274.5 Ų74.557%0.57439%0.385SS*.Hα-helixtrans-77.4-29-174.4-66.7167.3000110.8D1304 T1305D1304-I1308 WeakPolarHBondContact O-CG1 3.22Å; D1304-I1308 PolarHBondContact O-N 3.45Å; T1305-I1308 PolarHBondContact O-N 2.91Å
1309N42.7Very low49.5Very low66 Ų6679.2 Ų79.235%0.35341%0.414SS..  trans-131121.6-171.9-73.8-46.6000112.6L1311N1309-L1311 HydrophobicContact CB-CB 4.34Å; N1309-L1311 HydrophobicContact CB-CD1 3.69Å; N1309-L1311 HydrophobicContact CB-CG 3.87Å; N1309-L1311 PolarHBondContact O-N 3Å
1310Q38.4Very low47.3Very low207 Ų20789.8 Ų89.897%0.96746%0.455SS*.  trans-73.672.1165.6-66.4-172.49.400110.5
1311L35.6Very low45.1Very low80 Ų8090.9 Ų90.942%0.41947%0.467SS..  trans-113.896.1-174.6-77.7173.8000113.8N1309 S1313 F1314N1309-L1311 HydrophobicContact CB-CB 4.34Å; N1309-L1311 HydrophobicContact CB-CD1 3.69Å; N1309-L1311 HydrophobicContact CB-CG 3.87Å; N1309-L1311 PolarHBondContact O-N 3Å; L1311-S1313 PolarHBondContact O-N 3.2Å; L1311-F1314 PolarHBondContact O-N 3.28Å
1312V37.1Very low42.8Very low132 Ų132100.5 Ų100.580%0.851%0.509SS*.G310 helixtrans-53-30.3158176.40000111.1F1314 N1315V1312-F1314 VanDerWaalsContact C-N 3.26Å; V1312-F1314 PolarHBondContact O-N 3.2Å; V1312-F1314 VanDerWaalsContact O-N 3.17Å; V1312-N1315 PolarHBondContact O-N 3.31Å
1313S35.4Very low40.7Very low62 Ų62105.9 Ų105.943%0.43454%0.538SS..G310 helixtrans-66.5-12.5-174.6-36.60000115.9L1311 N1315 T1316 C1317L1311-S1313 PolarHBondContact O-N 3.2Å; S1313-N1315 PolarHBondContact O-N 3.3Å; S1313-T1316 WeakPolarHBondContact CA-OG1 3.46Å; S1313-T1316 PolarHBondContact O-N 3.47Å; S1313-T1316 PolarHBondContact O-OG1 2.93Å; S1313-T1316 VanDerWaalsContact O-OG1 3.05Å; S1313-C1317 PolarHBondContact O-N 3.47Å
1314F35.4Very low38.7Very low47 Ų47111 Ų11121%0.20657%0.565CS.*G310 helixtrans-69.8-21.5179.5-120.5-71000113.1V1223 L1227 L1311 V1312 I1357V1223-F1314 HydrophobicContact CG1-CE2 3.97Å; V1223-F1314 HydrophobicContact CG1-CZ 3.96Å; V1223-F1314 HydrophobicContact CG2-CE2 4.41Å; L1227-F1314 HydrophobicContact CD2-CE1 3.79Å; L1227-F1314 HydrophobicContact CD2-CZ 4.29Å; L1227-F1314 HydrophobicContact CG-CE1 4.27Å; L1227-F1314 HydrophobicContact CG-CZ 4.28Å; L1311-F1314 PolarHBondContact O-N 3.28Å; V1312-F1314 VanDerWaalsContact C-N 3.26Å; V1312-F1314 PolarHBondContact O-N 3.2Å; V1312-F1314 VanDerWaalsContact O-N 3.17Å; F1314-I1357 HydrophobicContact CD1-CD1 3.61Å; F1314-I1357 HydrophobicContact CE1-CD1 4.01Å; F1314-I1357 HydrophobicContact CG-CD1 4.5Å
1315N38.4Very low36.8Very low80 Ų80115.3 Ų115.343%0.42859%0.588SS.*G310 helixtrans-85.1-16.4173.3-77.8-48.3000113.7V1312 S1313V1312-N1315 PolarHBondContact O-N 3.31Å; S1313-N1315 PolarHBondContact O-N 3.3Å
1316T33.2Very low35.3Very low85 Ų85122.1 Ų122.152%0.52162%0.624SS.*THydrogen-bonded Turntrans-98.8-11.7179.655.80000113.4S1313 W1318 T1319S1313-T1316 WeakPolarHBondContact CA-OG1 3.46Å; S1313-T1316 PolarHBondContact O-N 3.47Å; S1313-T1316 PolarHBondContact O-OG1 2.93Å; S1313-T1316 VanDerWaalsContact O-OG1 3.05Å; T1316-W1318 PolarHBondContact O-N 2.77Å; T1316-T1319 PolarHBondContact O-N 3.4Å; T1316-T1319 PolarHBondContact O-OG1 3.46Å
1317C31.7Very low33.9Very low91 Ų91124.6 Ų124.662%0.61564%0.641SS**THydrogen-bonded Turntrans-718.8-177.6-147.30000115.2S1313S1313-C1317 PolarHBondContact O-N 3.47Å
1318W26.9Very low32.2Very low145 Ų145121.2 Ų121.255%0.54965%0.648SS.*THydrogen-bonded Turntrans-106.63.6173.7-75.699.4000114T1316T1316-W1318 PolarHBondContact O-N 2.77Å
1319T26.3Very low30.8Very low101 Ų101119.4 Ų119.462%0.6266%0.657SS**  trans-113.179.8176.252.90000111.9T1316T1316-T1319 PolarHBondContact O-N 3.4Å; T1316-T1319 PolarHBondContact O-OG1 3.46Å
1320Y23.8Very low30.2Very low228 Ų228121.7 Ų121.789%0.89468%0.678SS**  trans-157.8158.7165.5-101.4-51.2000110.1
1321P26.4Very low29.7Very low100 Ų100117 Ų11765%0.64967%0.668SS**  -118.5155.1-104.138.9-29.8000114.5N1323P1321-N1323 PolarHBondContact O-N 3.43Å
1322F23.3Very low29.3Very low208 Ų208117.8 Ų117.891%0.91268%0.681SS**  trans-71.4100.9152-100.1-89.1000108.4
1323N25.3Very low28.8Very low128 Ų128118.7 Ų118.768%0.68468%0.681SS**  trans-110.889.3164.9-161.516.4000108.9P1321P1321-N1323 PolarHBondContact O-N 3.43Å
1324N26.2Very low28.5Very low142 Ų142120.5 Ų120.576%0.75969%0.694SS**  trans-69.8130.3161.7-103.40.8000107.6
1325N28.3Very low28.1Very low137 Ų137122.9 Ų122.973%0.73372%0.716SS**  trans-153126.2156.9-106.7-24.4000110.4
1326N31.3Very low27.3Very low157 Ų157124.7 Ų124.784%0.8473%0.734SS**  trans-135.8129.2150.7-107.68.9000106.2
1327N31.7Very low26.8Very low160 Ų160125.4 Ų125.486%0.85674%0.742SS**  trans-39158.6-178.3-43-24.6000115.6
1328G25Very low26.5Very low77 Ų77125.5 Ų125.579%0.79474%0.744SS**  cis150.4147.1-0.400000111.9
1329G25.1Very low26.4Very low75 Ų75125.9 Ų125.977%0.77376%0.757SS**  trans93.9144.5-172.800000112.9
1330S29.6Very low26.3Very low113 Ų113126.1 Ų126.179%0.7976%0.763SS**  cis-152.8159.33.6-63.60000111.7
1331S27.5Very low26.3Very low109 Ų109120.3 Ų120.376%0.76276%0.755SS**  trans27.7140.1148.856.90000121.9
1332S27.3Very low26.2Very low96 Ų96120.5 Ų120.567%0.67176%0.759SS**  cis-176.8165.5-1.4450000111.2
1333N26.1Very low26.2Very low152 Ų152117.7 Ų117.781%0.81376%0.759SS**  trans69.6147.4162.2-62.2-6.6000117.9
1334S30Very low26.1Very low100 Ų100116.7 Ų116.770%0.69976%0.762SS**  cis-159.8148.2-6.5450000114.1
1335S25.9Very low26.1Very low97 Ų97116.1 Ų116.168%0.67876%0.764SS**  trans56.7118.1138.968.50000124
1336C22.5Very low25.9Very low117 Ų117116.2 Ų116.279%0.79176%0.764SS**  54.6152.2129.675.90000122.6
1337S23.4Very low25.7Very low100 Ų100114.8 Ų114.870%0.69977%0.767SS**  cis-169.9160.6-11.340.90000113
1338S25.1Very low25.3Very low93 Ų93114.2 Ų114.265%0.6576%0.764SS**  trans63.1117.9147.158.20000123.4
1339N24.7Very low25.3Very low153 Ų153117.8 Ų117.882%0.81877%0.765SS**  95.3128.1128.3-68.43.9000124.6
1340S23.9Very low25.3Very low107 Ų107121.5 Ų121.575%0.74877%0.767SS**  trans78.1115.6139.949.40000123.8
1341S24Very low25.2Very low105 Ų105124 Ų12473%0.73477%0.771SS**  trans70107.6138.252.80000122.7
1342S23.9Very low25.2Very low104 Ų104127.1 Ų127.173%0.72778%0.777SS**  trans57.3104135.361.20000121
1343T23.9Very low25.4Very low150 Ų150125.6 Ų125.692%0.9277%0.767SS**  -166.7178.2101.719.90000110.7
1344S23.8Very low26Very low106 Ų106121.5 Ų121.574%0.74175%0.75SS**  trans-80.9139.5-165.154.40000115.7
1345T24.6Very low26.9Very low131 Ų131119.9 Ų119.980%0.80473%0.733SS**  -172.9149.9119.419.30000114
1346N23.8Very low28.3Very low138 Ų138121.7 Ų121.774%0.73873%0.725SS**  trans20.5120159.2-68.6-17.6000121.6
1347S28.4Very low30.1Very low128 Ų128117.5 Ų117.590%0.89569%0.694SS**  trans-15598.1133.3-83.70000110.9
1348N23.6Very low32Very low147 Ų147115.1 Ų115.179%0.78667%0.674SS**  trans-78.9127.1170.4-78.2-41.9000110.2
1349N24.6Very low33.8Very low153 Ų153113.1 Ų113.182%0.81866%0.656SS**  trans-176.7166.6134.6-95.7-34.1000111.7
1350N25.3Very low35.6Very low152 Ų152106.9 Ų106.981%0.81362%0.622SS**  trans69.180.4173.2-56-22.9000116.9
1351N26.7Very low37.6Very low167 Ų167102.4 Ų102.489%0.89359%0.59SS**  trans-14284.3154.2-106.3-42.1000110.4S1353N1351-S1353 PolarHBondContact O-N 3.29Å
1352I27.7Very low39.7Very low173 Ų17399 Ų9989%0.88756%0.562SS**  trans-76.5111167.3-63.7176.4000106.8
1353S32.5Very low41.7Very low64 Ų6495.9 Ų95.945%0.44854%0.539SS..  trans-68.2132.4-172.646.40000112.5N1351N1351-S1353 PolarHBondContact O-N 3.29Å
1354S38.4Very low43.8Very low67 Ų6789.3 Ų89.347%0.46950%0.498SS..  trans-68.3133.9-179.451.40000112.1R1356S1354-R1356 PolarHBondContact O-N 2.64Å
1355I47.7Very low45.8Very low66 Ų6684.3 Ų84.334%0.33846%0.463SS..  trans-72.7113.4176.1-62165.7000108.7P1240 M1360P1240-I1355 HydrophobicContact CG-CD1 4.06Å; P1240-I1355 HydrophobicContact CG-CG1 3.95Å; P1240-I1355 HydrophobicContact CG-CG2 3.83Å; I1355-M1360 HydrophobicContact CG2-CG 3.61Å; I1355-M1360 HydrophobicContact CG2-SD 3.84Å
1356R56Low47.8Very low135 Ų13578.6 Ų78.651%0.50943%0.428SS..  trans-76.8139.1173.9-64.7-174.8-179.7-166.20.2110.8S1354 D1358 D1359 M1360S1354-R1356 PolarHBondContact O-N 2.64Å; R1356-D1358 PolarHBondContact O-N 3.41Å; R1356-D1359 PolarHBondContact O-N 2.79Å; R1356-D1359 VanDerWaalsContact O-N 3.11Å; R1356-M1360 PolarHBondContact O-N 2.79Å
1357I60.5Low49.6Very low28 Ų2876.6 Ų76.614%0.14441%0.41CS..Hα-helixtrans-59.8-37179.3-65.5174.6000110.7L1302 F1314 D1359 M1360 V1361L1302-I1357 HydrophobicContact CD1-CG2 4.19Å; F1314-I1357 HydrophobicContact CD1-CD1 3.61Å; F1314-I1357 HydrophobicContact CE1-CD1 4.01Å; F1314-I1357 HydrophobicContact CG-CD1 4.5Å; I1357-D1359 PolarHBondContact O-N 3.3Å; I1357-M1360 PolarHBondContact O-N 2.87Å; I1357-V1361 HydrophobicContact CG2-CG2 4.13Å; I1357-V1361 WeakPolarHBondContact O-CB 3.26Å; I1357-V1361 WeakPolarHBondContact O-CG2 3.29Å; I1357-V1361 PolarHBondContact O-N 3.49Å
1358D62.6Low51.3Low51 Ų5170.6 Ų70.627%0.27337%0.368SS..Hα-helixtrans-59.8-32.5178.7-51.1-66000112.8R1356 F1362 V1688R1356-D1358 PolarHBondContact O-N 3.41Å; D1358-F1362 WeakPolarHBondContact O-CB 3.45Å; D1358-F1362 PolarHBondContact O-N 3.28Å; D1358-V1688 HydrophobicContact CB-CG1 4.41Å
1359D64.1Low53.3Low50 Ų5063.7 Ų63.727%0.26733%0.331SS..Hα-helixtrans-78.2-35.9179.9-64-29.8000111.7R1356 I1357 T1363 R1695R1356-D1359 PolarHBondContact O-N 2.79Å; R1356-D1359 VanDerWaalsContact O-N 3.11Å; I1357-D1359 PolarHBondContact O-N 3.3Å; D1359-T1363 WeakPolarHBondContact O-CB 3.44Å; D1359-T1363 PolarHBondContact O-N 3.28Å; D1359-T1363 PolarHBondContact O-OG1 2.97Å; D1359-R1695 IonicContact OD1-CZ 3.49Å; D1359-R1695 IonicContact OD1-NH1 2.74Å; D1359-R1695 PolarHBondContact OD1-NH1 2.85Å; D1359-R1695 IonicContact OD1-NH2 3.33Å; D1359-R1695 PolarHBondContact OD1-NH2 2.92Å
1360M62.2Low54.8Low22 Ų2263 Ų6311%0.10832%0.317CS..Hα-helixtrans-64.2-44.8170.5-63.5-166.975.800111.5L1233 C1234 L1237 I1355 R1356 I1357 T1363 L1364L1233-M1360 HydrophobicContact CB-CE 4.45Å; C1234-M1360 HydrophobicContact CB-CE 4.14Å; C1234-M1360 WeakPolarHBondContact SG-CE 3.4Å; L1237-M1360 HydrophobicContact CD1-CE 4.09Å; I1355-M1360 HydrophobicContact CG2-CG 3.61Å; I1355-M1360 HydrophobicContact CG2-SD 3.84Å; R1356-M1360 PolarHBondContact O-N 2.79Å; I1357-M1360 PolarHBondContact O-N 2.87Å; M1360-T1363 PolarHBondContact O-N 3.3Å; M1360-L1364 WeakPolarHBondContact O-CB 3.36Å; M1360-L1364 PolarHBondContact O-N 3.06Å
1361V65.2Low56.1Low13 Ų1360.3 Ų60.38%0.07930%0.299CS..Hα-helixtrans-63.4-52.3176.6169.30000110.3L1299 L1302 I1357 T1363 L1364 V1365L1299-V1361 HydrophobicContact CD1-CG1 3.63Å; L1302-V1361 HydrophobicContact CD1-CG2 3.58Å; I1357-V1361 HydrophobicContact CG2-CG2 4.13Å; I1357-V1361 WeakPolarHBondContact O-CB 3.26Å; I1357-V1361 WeakPolarHBondContact O-CG2 3.29Å; I1357-V1361 PolarHBondContact O-N 3.49Å; V1361-T1363 PolarHBondContact O-N 3.02Å; V1361-L1364 PolarHBondContact O-N 3.38Å; V1361-V1365 HydrophobicContact CG1-CG2 4.11Å; V1361-V1365 WeakPolarHBondContact O-CB 3.41Å; V1361-V1365 WeakPolarHBondContact O-CG2 3.23Å; V1361-V1365 PolarHBondContact O-N 3.46Å
1362F68.9Low57.2Low34 Ų3454.2 Ų54.215%0.14927%0.269CS..Hα-helixtrans-54.6-40.9176.1-179.5-93.7000111.7D1358 T1366 L1685 I1699D1358-F1362 WeakPolarHBondContact O-CB 3.45Å; D1358-F1362 PolarHBondContact O-N 3.28Å; F1362-T1366 WeakPolarHBondContact O-CB 3.25Å; F1362-T1366 PolarHBondContact O-N 2.87Å; F1362-T1366 PolarHBondContact O-OG1 2.91Å; F1362-L1685 HydrophobicContact CD2-CD2 4.06Å; F1362-I1699 HydrophobicContact CE2-CD1 4.11Å; F1362-I1699 HydrophobicContact CE2-CG1 4Å
1363T66.5Low57.6Low39 Ų3949.7 Ų49.724%0.23925%0.249CC..Hα-helixtrans-67.7-50.4178.4-63.20000112.6D1359 M1360 V1361 V1365 R1367D1359-T1363 WeakPolarHBondContact O-CB 3.44Å; D1359-T1363 PolarHBondContact O-N 3.28Å; D1359-T1363 PolarHBondContact O-OG1 2.97Å; M1360-T1363 PolarHBondContact O-N 3.3Å; V1361-T1363 PolarHBondContact O-N 3.02Å; T1363-V1365 VanDerWaalsContact C-N 3.31Å; T1363-V1365 PolarHBondContact O-N 3.29Å; T1363-R1367 VanDerWaalsContact CG2-NH1 3.25Å; T1363-R1367 VanDerWaalsContact O-CB 3.3Å; T1363-R1367 WeakPolarHBondContact O-CB 3.14Å; T1363-R1367 WeakPolarHBondContact O-CD 3.29Å; T1363-R1367 WeakPolarHBondContact O-CG 3.4Å; T1363-R1367 PolarHBondContact O-N 3.35Å
1364L67.3Low57.6Low12 Ų1252.2 Ų52.26%0.06326%0.257CS..Hα-helixtrans-56.5-47.7175.8171.166.3000110.9F1190 L1233 L1237 V1298 M1360 V1361 R1367 A1368F1190-L1364 HydrophobicContact CE1-CD1 4.26Å; L1233-L1364 HydrophobicContact CD2-CD2 4.25Å; L1237-L1364 HydrophobicContact CD1-CB 4.27Å; L1237-L1364 HydrophobicContact CD2-CB 4.42Å; L1237-L1364 HydrophobicContact CD2-CD1 4.18Å; V1298-L1364 HydrophobicContact CB-CD2 4.11Å; V1298-L1364 HydrophobicContact CG1-CD2 3.76Å; V1298-L1364 HydrophobicContact CG2-CD2 4.22Å; M1360-L1364 WeakPolarHBondContact O-CB 3.36Å; M1360-L1364 PolarHBondContact O-N 3.06Å; V1361-L1364 PolarHBondContact O-N 3.38Å; L1364-R1367 PolarHBondContact O-N 3.16Å; L1364-A1368 PolarHBondContact O-N 3.25Å
1365V66.1Low57Low1 Ų156.4 Ų56.41%0.00627%0.269CS..Hα-helixtrans-77.5-34.2-170.1179.20000111.2L1299 V1361 T1363 A1368 M1369 L1681 L1685L1299-V1365 HydrophobicContact CD2-CG1 4.46Å; L1299-V1365 HydrophobicContact CD2-CG2 4.36Å; V1361-V1365 HydrophobicContact CG1-CG2 4.11Å; V1361-V1365 WeakPolarHBondContact O-CB 3.41Å; V1361-V1365 WeakPolarHBondContact O-CG2 3.23Å; V1361-V1365 PolarHBondContact O-N 3.46Å; T1363-V1365 VanDerWaalsContact C-N 3.31Å; T1363-V1365 PolarHBondContact O-N 3.29Å; V1365-A1368 PolarHBondContact O-N 2.96Å; V1365-M1369 WeakPolarHBondContact O-CG 3.35Å; V1365-M1369 PolarHBondContact O-N 2.87Å; V1365-L1681 HydrophobicContact CG1-CD1 4.1Å; V1365-L1681 HydrophobicContact CG1-CD2 3.2Å; V1365-L1681 HydrophobicContact CG1-CG 3.5Å; V1365-L1685 HydrophobicContact CB-CD2 3.96Å; V1365-L1685 HydrophobicContact CB-CG 4.39Å; V1365-L1685 HydrophobicContact CG1-CD1 3.84Å; V1365-L1685 HydrophobicContact CG1-CD2 3.66Å; V1365-L1685 HydrophobicContact CG1-CG 3.56Å
1366T65.9Low56Low11 Ų1158.8 Ų58.87%0.06728%0.283CS..Hα-helixtrans-68.7-39.5169.2-63.20000112.2F1362 A1368 M1369 R1370 I1702F1362-T1366 WeakPolarHBondContact O-CB 3.25Å; F1362-T1366 PolarHBondContact O-N 2.87Å; F1362-T1366 PolarHBondContact O-OG1 2.91Å; T1366-A1368 VanDerWaalsContact C-N 3.33Å; T1366-A1368 PolarHBondContact O-N 2.76Å; T1366-M1369 PolarHBondContact O-N 3.18Å; T1366-R1370 PolarHBondContact O-N 3.27Å; T1366-R1370 VanDerWaalsContact O-N 3.11Å; T1366-I1702 HydrophobicContact CG2-CD1 3.75Å
1367R62.6Low54.5Low95 Ų9562.6 Ų62.636%0.35830%0.299SS..Hα-helixtrans-62.1-40.5173.1-75169.6176.1165.2-3.6111.1W1276 T1363 L1364 R1370 F1371W1276-R1367 VanDerWaalsContact CZ2-NH1 3.3Å; T1363-R1367 VanDerWaalsContact CG2-NH1 3.25Å; T1363-R1367 VanDerWaalsContact O-CB 3.3Å; T1363-R1367 WeakPolarHBondContact O-CB 3.14Å; T1363-R1367 WeakPolarHBondContact O-CD 3.29Å; T1363-R1367 WeakPolarHBondContact O-CG 3.4Å; T1363-R1367 PolarHBondContact O-N 3.35Å; L1364-R1367 PolarHBondContact O-N 3.16Å; R1367-R1370 PolarHBondContact O-N 3.13Å; R1367-F1371 PolarHBondContact O-N 3.24Å
1368A64.1Low52.8Low2 Ų265.2 Ų65.22%0.01732%0.319CS..Hα-helixtrans-62.6-39.4173.900000113I1291 H1292 A1295 L1364 V1365 T1366 L1681I1291-A1368 HydrophobicContact CG2-CB 3.98Å; H1292-A1368 PolarHBondContact CE1-O 2.74Å; A1295-A1368 HydrophobicContact CB-CB 4.12Å; L1364-A1368 PolarHBondContact O-N 3.25Å; V1365-A1368 PolarHBondContact O-N 2.96Å; T1366-A1368 VanDerWaalsContact C-N 3.33Å; T1366-A1368 PolarHBondContact O-N 2.76Å; A1368-L1681 HydrophobicContact CB-CD1 4.4Å
1369M63.8Low51Low2 Ų270 Ų701%0.0134%0.344CS..Hα-helixtrans-64.8-38.9175.5-76.6-71.3-79.900113.2V1365 T1366 Q1678 L1681 A1682 I1702 I1707V1365-M1369 WeakPolarHBondContact O-CG 3.35Å; V1365-M1369 PolarHBondContact O-N 2.87Å; T1366-M1369 PolarHBondContact O-N 3.18Å; M1369-Q1678 HydrophobicContact SD-CB 4.28Å; M1369-Q1678 HydrophobicContact SD-CG 4.37Å; M1369-L1681 HydrophobicContact CG-CD2 3.42Å; M1369-L1681 VanDerWaalsContact CG-CD2 3.42Å; M1369-L1681 HydrophobicContact SD-CD2 3.67Å; M1369-A1682 HydrophobicContact CE-CB 4.16Å; M1369-I1702 HydrophobicContact CB-CG2 4.23Å; M1369-I1702 HydrophobicContact CE-CG2 4.49Å; M1369-I1707 HydrophobicContact CE-CD1 3.92Å; M1369-I1707 HydrophobicContact CE-CG1 3.88Å
1370R57.8Low49Very low138 Ų13876.4 Ų76.452%0.52138%0.375SS..Hα-helixtrans-69.8-28.9179.4-71.1-179.4-179.8-175.90.4113.7T1366 R1367 S1372 V1373T1366-R1370 PolarHBondContact O-N 3.27Å; T1366-R1370 VanDerWaalsContact O-N 3.11Å; R1367-R1370 PolarHBondContact O-N 3.13Å; R1370-S1372 PolarHBondContact O-N 3.49Å; R1370-V1373 PolarHBondContact O-N 3.39Å
1371F52.6Low47.1Very low97 Ų9781.1 Ų81.143%0.42540%0.4SS..THydrogen-bonded Turntrans-70.53.1-178.5-122.7-77.4000114.7W1277 V1284 R1367W1277-F1371 HydrophobicContact CE3-CE2 4.39Å; V1284-F1371 HydrophobicContact CG1-CE1 4.19Å; R1367-F1371 PolarHBondContact O-N 3.24Å
1372S49.2Very low45.2Very low39 Ų3987.4 Ų87.427%0.27343%0.433SS..THydrogen-bonded Turntrans-90.3-3.5178.5-62.40000114.5H1292 R1370 Q1678H1292-S1372 PolarHBondContact CE1-OG 2.73Å; H1292-S1372 VanDerWaalsContact CE1-OG 3.29Å; H1292-S1372 PolarHBondContact NE2-OG 3.31Å; R1370-S1372 PolarHBondContact O-N 3.49Å; S1372-Q1678 PolarHBondContact OG-NE2 2.96Å
1373V36.6Very low43Very low77 Ų7790.3 Ų90.347%0.46746%0.458SS..  trans-96.4107179.9-175.80000110.1R1370R1370-V1373 PolarHBondContact O-N 3.39Å
1374L32Very low41.2Very low118 Ų11896.1 Ų96.162%0.61849%0.488SS*.  trans-124.5125.3157.5-90.8171000108.1
1375E26.2Very low39.1Very low155 Ų155102.8 Ų102.872%0.72452%0.52SS*.  trans-73.2156.9174-63.4172.7114.700110.7Y1377E1375-Y1377 VanDerWaalsContact C-N 3.26Å; E1375-Y1377 PolarHBondContact O-N 2.75Å
1376N25.1Very low37Very low115 Ų115111 Ų11162%0.61556%0.561SS**  trans-7276.2177.4-78.1-15000111.7S1378N1376-S1378 PolarHBondContact O-N 3.26Å; N1376-S1378 PolarHBondContact O-OG 3.49Å
1377Y24.7Very low35Very low216 Ų216114.1 Ų114.185%0.84760%0.595SS**  trans-64.390.5157.4-93.1-83.1000108.8E1375E1375-Y1377 VanDerWaalsContact C-N 3.26Å; E1375-Y1377 PolarHBondContact O-N 2.75Å
1378S25.7Very low33.2Very low82 Ų82115.6 Ų115.657%0.57361%0.614SS**  trans-78.3140.1-178.7-55.40000109.4N1376 M1380N1376-S1378 PolarHBondContact O-N 3.26Å; N1376-S1378 PolarHBondContact O-OG 3.49Å; S1378-M1380 PolarHBondContact O-N 3.36Å
1379L23.8Very low31.3Very low151 Ų151123.2 Ų123.279%0.79165%0.649SS**  trans-57.5128174.7-82.569.5000110
1380M22.2Very low29.3Very low186 Ų186130.5 Ų130.592%0.91669%0.687SS**  trans-105.688.3157-67.1-157.883.100108.7S1378S1378-M1380 PolarHBondContact O-N 3.36Å
1381D23Very low27.7Very low120 Ų120130.3 Ų130.364%0.64270%0.702SS**  trans-107.794.1165.4-82.6-41.7000108.9
1382N24.9Very low26.3Very low146 Ų146135.7 Ų135.778%0.78172%0.72SS**  176.4140.599.8-90.4-61.1000113.7
1383S23.4Very low25.2Very low95 Ų95139.2 Ų139.266%0.66474%0.744SS**  trans37.1101.6150.861.40000119.8
1384N27.7Very low24.6Very low161 Ų161141.7 Ų141.786%0.86176%0.755SS**  -160.1172.887.6-98.1-22.1000112.4
1385M23.3Very low24.2Very low151 Ų151141.7 Ų141.774%0.74476%0.764SS**  trans-89.2161.4-153.2-60.6-173.272.100116.3
1386M22.1Very low24Very low175 Ų175139.6 Ų139.686%0.86277%0.767SS**  trans27.4127.5143.9-62.8177.2176.200119.8
1387G24Very low24.3Very low76 Ų76139.3 Ų139.378%0.78477%0.772SS**  trans177.150.2171.300000117.7
1388T24.8Very low24.1Very low125 Ų125136.5 Ų136.577%0.76777%0.766SS**  trans1.6128.8162.450.90000122
1389H24.1Very low24.1Very low162 Ų162139.3 Ų139.375%0.7577%0.774SS**  trans76.6114.4133.8-81.5-115.1000123.6
1390L23Very low24Very low155 Ų155139.2 Ų139.281%0.81277%0.774SS**  62.6149.5127.3-60.9-178.1000122.3
1391T24.1Very low24.3Very low135 Ų135138 Ų13883%0.82877%0.77SS**  trans-97.1107.8-174.150.10000114.2
1392R23.2Very low24.3Very low210 Ų210138.3 Ų138.379%0.79277%0.772SS**  58.3110122.9-170.2-168.1-173.6-173.23.3120.3N1394R1392-N1394 WeakPolarHBondContact CG-OD1 3.49Å; R1392-N1394 PolarHBondContact NE-OD1 3.39Å
1393S25.2Very low24.4Very low113 Ų113135.7 Ų135.779%0.7976%0.764SS**  -161.592.5127.6560000110.7
1394N23.9Very low24.8Very low128 Ų128137.2 Ų137.268%0.68477%0.765SS**  65.784.891.2-91.278.4000116R1392R1392-N1394 WeakPolarHBondContact CG-OD1 3.49Å; R1392-N1394 PolarHBondContact NE-OD1 3.39Å
1395S23.7Very low24.9Very low118 Ų118135 Ų13583%0.82575%0.754SS**  trans-142.3155.5144.763.20000109.7
1396S21.9Very low25.2Very low111 Ų111134.1 Ų134.178%0.77675%0.752SS**  trans-168.5171-172.7-56.80000108
1397P31.3Very low25.4Very low110 Ų110130.4 Ų130.471%0.71474%0.743SS**  cis-131.5-148.9534.3-10.3000112.1
1398Q21.7Very low25.4Very low157 Ų157132.3 Ų132.373%0.73474%0.735SS**  trans70.7135.6170.1-59.8-69.74.800115
1399L24.8Very low25.8Very low141 Ų141133 Ų13374%0.73873%0.734SS**  cis-129.3148.6-6.8-81.1147.4000107.2
1400L21.6Very low25.8Very low149 Ų149130.5 Ų130.578%0.7873%0.726SS**  52.479.572.7-93.4174.5000115.7
1401L28.4Very low26.3Very low159 Ų159130.3 Ų130.383%0.83273%0.726SS**  trans-157.7105.8137.8-94.8165.6000105
1402N22.5Very low26.3Very low128 Ų128129.1 Ų129.168%0.68472%0.715SS**  83.915063.7-169.534.3000112.6
1403S28.4Very low26.4Very low90 Ų90126.1 Ų126.163%0.62971%0.714SS**  trans72.5130.1176.6-570000116.3
1404N30.2Very low26.5Very low127 Ų127126.6 Ų126.668%0.67971%0.712SS**  cis-157.8160.5-6.8-125-11.4000115.4
1405N31.7Very low26.6Very low116 Ų116126.9 Ų126.962%0.6271%0.714SS**  trans68.395.8154.2-61.9-18.3000120.2
1406N29.2Very low27Very low132 Ų132128.1 Ų128.171%0.70671%0.71SS**  56.4115110.6-55-16.5000117.8
1407S25.1Very low27.3Very low96 Ų96129.7 Ų129.767%0.67171%0.709SS**  cis66.7137.735.7-430000115.8
1408N25Very low27.2Very low117 Ų117127.8 Ų127.863%0.62671%0.71SS**  trans68.7146.3171.8-45.2-45000114.3
1409N32.4Very low27.6Very low138 Ų138127.1 Ų127.174%0.73871%0.712SS**  cis-119138.313.8-65.6-46.5000110.2
1410N25.6Very low27.7Very low110 Ų110126.9 Ų126.959%0.58871%0.711SS**  cis59.185.613.4-142.419.9000112.9
1411N31.9Very low28Very low152 Ų152128.5 Ų128.581%0.81371%0.714SS**  trans-121.4111161.7-98.9-29000110.3
1412N25.6Very low28Very low110 Ų110124.6 Ų124.659%0.58871%0.713SS**  trans-48.9143.3172.8-72.1-61.8000111.6
1413N25.2Very low28.1Very low146 Ų146124.5 Ų124.578%0.78172%0.721SS**  59.7166.865.4-74.7-36.8000113.3
1414V27.5Very low27.8Very low123 Ų123127.6 Ų127.675%0.74573%0.73SS**  trans88.6115.8167.4-174.60000112
1415N25.7Very low27.5Very low135 Ų135130.1 Ų130.172%0.72274%0.737SS**  cis-164.6-167.28.9-145.7-7.1000115
1416I30.9Very low27.1Very low143 Ų143129.1 Ų129.173%0.73374%0.739SS**  trans82.6113.9160.2-44-165.1000114.5
1417N29.3Very low26.8Very low144 Ų144131.6 Ų131.677%0.7775%0.747SS**  cis-155157.2-7.5-111.4-8000108.9
1418G28.8Very low26.8Very low71 Ų71136.6 Ų136.673%0.73275%0.751SS**  trans174-23.6172.300000120.6
1419N28.9Very low26.8Very low143 Ų143136.6 Ų136.677%0.76575%0.748SS**  trans67.2114.5-179.9-66.6-22.1000118.5
1420N27.6Very low26.8Very low136 Ų136132.7 Ų132.773%0.72773%0.727SS**  42.7141.7108.7-65.1-19.5000119.6
1421Q27.2Very low26.7Very low182 Ų182136.1 Ų136.185%0.8573%0.733SS**  cis-166168.918.7-136.317236.700112.2
1422G29.1Very low26.5Very low78 Ų78133 Ų13380%0.80472%0.717SS**  trans103.6126.5146.800000117
1423C25.1Very low26.7Very low126 Ų126134.6 Ų134.685%0.85172%0.72SS**  trans-138.9168171.6-159.50000109.6
1424L22.8Very low26.8Very low155 Ų155134.5 Ų134.581%0.81272%0.715SS**  trans75.7140.6178.9-64.9169.6000119.2
1425H23.6Very low26.8Very low179 Ų179131.7 Ų131.783%0.82971%0.711SS**  trans81143.9150.1-9883.1000122.4
1426S22.3Very low26.9Very low96 Ų96128.8 Ų128.867%0.67170%0.701SS**  trans73.4126.9168.9-150.60000119.4R1428S1426-R1428 PolarHBondContact O-N 3.01Å
1427Q23.6Very low26.6Very low184 Ų184132.6 Ų132.686%0.8671%0.706SS**  trans-41.8112.2145.2-58.1157.7-18.600110.8
1428R23.7Very low26.3Very low201 Ų201130.7 Ų130.776%0.75870%0.696SS**  trans-162.763.7151.9-116172.5-167.5-166.33113.1S1426 N1430S1426-R1428 PolarHBondContact O-N 3.01Å; R1428-N1430 PolarHBondContact O-N 3.05Å
1429M26.5Very low26.1Very low117 Ų117135.8 Ų135.858%0.57669%0.694SS**  trans-71.274.4156.2-77.2-67.4-117.600109.6I1551 P1552 N1553M1429-I1551 WeakPolarHBondContact CE-O 3.36Å; M1429-P1552 HydrophobicContact CB-CB 4.08Å; M1429-P1552 HydrophobicContact CE-CB 4.18Å; M1429-P1552 HydrophobicContact SD-CB 4.01Å; M1429-N1553 WeakPolarHBondContact CB-ND2 3.33Å; M1429-N1553 PolarHBondContact O-ND2 3.49Å
1430N31.1Very low26Very low56 Ų56138.1 Ų138.130%0.29969%0.694SS.*  trans177.3133142.7-1001.6000111.7R1428 P1552 N1553R1428-N1430 PolarHBondContact O-N 3.05Å; N1430-P1552 WeakPolarHBondContact OD1-CB 3.45Å; N1430-P1552 WeakPolarHBondContact OD1-CG 3.4Å; N1430-N1553 PolarHBondContact ND2-O 3.18Å; N1430-N1553 PolarHBondContact OD1-O 3.28Å
1431Y25.1Very low25.8Very low182 Ų182137 Ų13771%0.71469%0.688SS**  trans174.4138.2141.8-90.6-2.7000107.3
1432N27.9Very low25.7Very low86 Ų86131.6 Ų131.646%0.4667%0.665SS.*  cis-168-160.4-1.9-131.3-12.9000108.8
1433H28.9Very low25.9Very low144 Ų144132.3 Ų132.367%0.66766%0.655SS**  cis-153.2141.220.3-111.7-49.3000113.1
1434H28.1Very low25.9Very low143 Ų143128.8 Ų128.866%0.66263%0.631SS**  trans43.3159.5131.9-64.7-7.9000123.5
1435G27.5Very low26.1Very low65 Ų65124.1 Ų124.167%0.6761%0.608SS**  cis-116.9163.50.800000113.9
1436C26.1Very low26.1Very low74 Ų74123.3 Ų123.350%0.560%0.597SS.*  cis70131.533.7-156.70000110.2D1438C1436-D1438 PolarHBondContact SG-OD2 3.5Å; C1436-D1438 VanDerWaalsContact SG-OD2 3.36Å
1437W25.4Very low26.2Very low222 Ų222124.5 Ų124.584%0.84160%0.6SS**  cis-146.4144.844.5-74.776.5000109.6
1438D23.7Very low26.2Very low105 Ų105121.1 Ų121.156%0.56160%0.596SS**  84.8145.261.7-59.6-16.5000113C1436C1436-D1438 PolarHBondContact SG-OD2 3.5Å; C1436-D1438 VanDerWaalsContact SG-OD2 3.36Å
1439Y25Very low26.5Very low177 Ų177117.2 Ų117.269%0.69460%0.599SS**  cis-169.7-176-1.6-136.6-109.3000112.3
1440Y25.5Very low26.5Very low193 Ų193115.5 Ų115.576%0.75761%0.611SS**  trans69.7159.4163.5-64.3-72.2000120.1
1441N24.7Very low26.1Very low113 Ų113116.8 Ų116.860%0.60464%0.637SS**  cis-171.3138.2-46.5-107.721.6000112.4
1442N23.7Very low26.3Very low68 Ų68112.3 Ų112.336%0.36465%0.647SS.*  trans69.9175.7146.8-52.7-0.2000121.3S868 G869S868-N1442 PolarHBondContact O-ND2 3.42Å; G869-N1442 WeakPolarHBondContact O-CA 3.48Å; G869-N1442 WeakPolarHBondContact O-CB 3.37Å; G869-N1442 PolarHBondContact O-OD1 2.98Å; G869-N1442 VanDerWaalsContact O-OD1 3.04Å
1443P34.4Very low26.3Very low93 Ų93112 Ų11260%0.60466%0.664SS**  cis-131.9137.2-12.732.7-9.8000120.2G869G869-P1443 VanDerWaalsContact O-CA 3.31Å; G869-P1443 WeakPolarHBondContact O-CA 3.36Å
1444S24.6Very low25.9Very low51 Ų51110.7 Ų110.736%0.35767%0.671SS.*  trans0134.1161.4-65.50000128.6G869 S870G869-S1444 VanDerWaalsContact CA-OG 3.29Å; G869-S1444 WeakPolarHBondContact CA-OG 3.45Å; S870-S1444 VanDerWaalsContact CA-N 3.25Å; S870-S1444 VanDerWaalsContact N-N 3.12Å; S870-S1444 PolarHBondContact N-OG 2.97Å
1445N26.7Very low25.8Very low58 Ų58109.3 Ų109.331%0.3167%0.673SS.*  101130.4127.4-75.3-11.7000126.1P849 N850 R871P849-N1445 HydrophobicContact CB-CB 3.66Å; P849-N1445 WeakPolarHBondContact CB-ND2 3.47Å; P849-N1445 HydrophobicContact CG-CB 3.79Å; N850-N1445 PolarHBondContact OD1-ND2 2.88Å; R871-N1445 PolarHBondContact NH2-OD1 2.95Å
1446R24.4Very low25.6Very low162 Ų162113.6 Ų113.661%0.61168%0.675SS**  trans124.9150.6135.5-150175.9-136.2-152.69.8119.6P849 N850P849-R1446 HydrophobicContact CB-CB 4.1Å; P849-R1446 HydrophobicContact CB-CG 3.97Å; P849-R1446 HydrophobicContact CG-CB 3.74Å; P849-R1446 HydrophobicContact CG-CG 3.68Å; P849-R1446 PolarHBondContact O-NE 3.18Å; P849-R1446 VanDerWaalsContact O-NE 3.16Å; P849-R1446 PolarHBondContact O-NH2 3.29Å; N850-R1446 PolarHBondContact O-NH2 2.95Å
1447V24Very low25.4Very low120 Ų120116.3 Ų116.373%0.72769%0.69SS**  trans81.2115.3167.6-163.30000121
1448C22.8Very low25.3Very low114 Ų114109.6 Ų109.677%0.7768%0.682SS**  trans-0.9153.4142.8-51.30000120.4
1449S30.1Very low25.2Very low119 Ų119111.9 Ų111.983%0.83269%0.693SS**  -166.5157.858.7-63.70000116.7
1450G25.9Very low25.1Very low80 Ų80107.5 Ų107.583%0.82569%0.693SS**  95.7110.6129.200000121.5
1451G24.1Very low25.1Very low83 Ų83104.9 Ų104.986%0.85670%0.697SS**  96.4129.8129.100000120.5
1452G28.2Very low25.1Very low89 Ų89106 Ų10692%0.91870%0.703SS**  trans77.4154.616700000115.8
1453G28.2Very low25.2Very low79 Ų79108.1 Ų108.181%0.81472%0.718SS**  cis-151.1171-6.900000110.3
1454S21.8Very low24.7Very low116 Ų116111.1 Ų111.181%0.81172%0.724SS**  trans-109.7-178.9-164.7-151.60000114.5
1455V25.8Very low24.7Very low115 Ų115114.2 Ų114.270%0.69774%0.741SS**  trans77.9156.1149.4158.40000119.4
1456E21.7Very low24.6Very low154 Ų154116.2 Ų116.272%0.7276%0.759SS**  trans-71179.4173.7-4699.8127.600112.3
1457T23.7Very low24.7Very low132 Ų132114.7 Ų114.781%0.8176%0.763SS**  -174.1162.3111.122.10000112.1
1458A22.1Very low24.7Very low81 Ų81118.4 Ų118.467%0.66977%0.773SS**  trans-93.7-167159.700000109.2
1459L21.8Very low24.7Very low153 Ų153120.8 Ų120.880%0.80177%0.773SS**  trans76.3132.9-178.9-49.8143000111.3
1460A22.9Very low24.6Very low85 Ų85125.6 Ų125.670%0.70278%0.779SS**  cis99.5127.627.300000113.4
1461V25.8Very low24.7Very low138 Ų138125.5 Ų125.584%0.83678%0.778SS**  trans65.2125.2163.6-173.30000118.2
1462N25.2Very low24.7Very low135 Ų135129.2 Ų129.272%0.72278%0.777SS**  trans-30.3151.9164.3-48.4-8.1000118.5
1463T24.9Very low24.8Very low113 Ų113130.4 Ų130.469%0.69377%0.769SS**  trans43.9156.7134.865.70000121.1
1464E24.1Very low25.1Very low156 Ų156131.1 Ų131.173%0.72976%0.759SS**  cis-123.4156.710.6-102.4100.9-11700111.2
1465V24.9Very low25.1Very low116 Ų116132.7 Ų132.770%0.70376%0.758SS**  49.7111.887-158.90000112.5
1466S24Very low25Very low100 Ų100132.5 Ų132.570%0.69976%0.757SS**  175.616393.7-86.20000108.9
1467D25.9Very low25.2Very low130 Ų130131.6 Ų131.670%0.69576%0.762SS**  cis-164164.7-20.2-96.4-36.6000108.5
1468Q25.5Very low25.2Very low198 Ų198128.9 Ų128.993%0.92575%0.753SS**  trans-142.5122.2144.7-147.5171.121.200109.2
1469E23.4Very low25.4Very low165 Ų165132 Ų13277%0.77176%0.764SS**  trans-77.2158.4-163.8-58.9165.288.700114
1470F27.9Very low25.5Very low220 Ų220128.3 Ų128.397%0.96576%0.756SS**  -173.4135.6115.7-105.8-71.3000110.9
1471G26.8Very low25.5Very low77 Ų77129.4 Ų129.479%0.79476%0.758SS**  trans113.871.2160.800000118.7
1472L24Very low25.6Very low161 Ų161129.7 Ų129.784%0.84376%0.76SS**  trans-98.8178.1161.7-73.6167.8000109.7
1473P29.9Very low25.6Very low114 Ų114126.4 Ų126.474%0.7476%0.759SS**  cis-126.7-107.7-29.625.10.2000115.8
1474P34.8Very low25.7Very low95 Ų95127 Ų12762%0.61776%0.763SS**  -143.1-177.9-118.146.9-27.1000120.2
1475L22.2Very low25.8Very low149 Ų149125.4 Ų125.478%0.7876%0.763SS**  trans73.4149140.3-83.6160.7000124.5
1476T22.9Very low25.9Very low111 Ų111126.7 Ų126.768%0.68177%0.765SS**  trans75.2125.1152.137.20000123.5
1477T27Very low26.2Very low135 Ų135128.8 Ų128.883%0.82877%0.767SS**  trans63162.414953.10000120.3
1478A23.1Very low26.5Very low75 Ų75129.1 Ų129.162%0.6277%0.773SS**  cis-172.1142-4100000109.5
1479T25.9Very low26.9Very low145 Ų145122.9 Ų122.989%0.8976%0.763SS**  trans57.5-179.2170.960.60000117.3
1480A24.6Very low27.4Very low77 Ų77121.8 Ų121.864%0.63676%0.762SS**  -159146.1-69.700000113.6
1481S24.1Very low27.4Very low108 Ų108118.8 Ų118.876%0.75575%0.753SS**  trans75.2161.7153.278.70000122.1
1482T27Very low27.4Very low143 Ų143123 Ų12388%0.87775%0.754SS**  trans67.4147.6-176.569.90000115.6
1483G25.2Very low27.4Very low67 Ų67122 Ų12269%0.69175%0.75SS**  cis134.3141.55.300000109.6
1484T27.2Very low27Very low126 Ų126121.7 Ų121.777%0.77375%0.75SS**  cis-166.813411.8-27.40000111.5
1485T24.7Very low27Very low122 Ų122124.9 Ų124.975%0.74876%0.761SS**  trans58175.9153.4510000119
1486I27.5Very low27.4Very low143 Ų143123.5 Ų123.573%0.73376%0.761SS**  cis-145.8173.57.8-17.7169.8000110
1487I31.3Very low27.4Very low143 Ų143128.1 Ų128.173%0.73377%0.772SS**  trans71.8130.2159.1-68.2162.3000115.7
1488T32.5Very low27.1Very low137 Ų137126.2 Ų126.284%0.8477%0.77SS**  cis-159.6161.8-7.221.40000109.3
1489G32.4Very low27.1Very low68 Ų68125.9 Ų125.970%0.70177%0.774SS**  trans132.584.2153.200000116.3
1490N34.8Very low27Very low142 Ų142126 Ų12676%0.75977%0.77SS**  trans56.595.2164.4-56.2-3.8000116
1491M26.7Very low26.9Very low157 Ų157129.9 Ų129.977%0.77378%0.776SS**  60.3131.269.2-55.7169.2-173.100112.7
1492M27.5Very low26.8Very low164 Ų164134.2 Ų134.281%0.80878%0.777SS**  cis-142.1133.7-7.3-96.2151.1-179.700106.6
1493D24Very low26.6Very low141 Ų141134.8 Ų134.875%0.75477%0.772SS**  84.5117.670-138.1-30.5000114.4
1494S22.6Very low26.5Very low107 Ų107138.2 Ų138.275%0.74878%0.775SS**  trans63.4144.9152-66.60000124
1495L34.8Very low26.4Very low162 Ų162135.7 Ų135.785%0.84877%0.766SS**  trans-54.8151152-61.2155.9000108.9
1496P29.9Very low26.5Very low121 Ų121136.1 Ų136.179%0.78676%0.764SS**  -162.3-141.561.845.9-22000115.5
1497F23.3Very low26.4Very low207 Ų207138.2 Ų138.291%0.90876%0.764SS**  trans-53.5141.2173.7-84.6-119.8000117.3
1498A21Very low26.1Very low96 Ų96137.2 Ų137.279%0.79376%0.76SS**  trans-158.3156.3140.200000107.5
1499G21.7Very low26Very low68 Ų68137 Ų13770%0.70175%0.754SS**  75.2116.754.600000109.5
1500N24.6Very low25.7Very low148 Ų148141.5 Ų141.579%0.79176%0.756SS**  cis-149.7148.315.7-105.4-16.5000111.3
1501M21.2Very low25.2Very low157 Ų157141.5 Ų141.577%0.77375%0.752SS**  44.1120.5106.3-71.1-154-176.300119.1
1502Y22Very low25.1Very low199 Ų199142.2 Ų142.278%0.7875%0.746SS**  trans60139141.5-77.3-98.7000122.2
1503M23.4Very low25.1Very low155 Ų155143.1 Ų143.176%0.76474%0.741SS**  trans26.5140.2136.9-54.3-67.3-16600119.1
1504N24.4Very low25.3Very low140 Ų140141.4 Ų141.475%0.74974%0.741SS**  cis-169.6164.933.7-156.31.9000111.7
1505A24.9Very low25.3Very low72 Ų72145.1 Ų145.160%0.59575%0.746SS**  trans61.9158.3150.700000118.8
1506N25.7Very low25.1Very low131 Ų131141.9 Ų141.970%0.70173%0.734SS**  cis-159.3153.4-18.8-109.8-2.9000110.7
1507Y26.2Very low24.9Very low188 Ų188144.5 Ų144.574%0.73774%0.736SS**  trans63.3116143-80.1-120000122.4
1508D25.5Very low25Very low122 Ų122139.1 Ų139.165%0.65272%0.724SS**  82.9148.5120.9-70.78000126
1509N29.2Very low25.1Very low132 Ų132140 Ų14071%0.70673%0.725SS**  trans81.880151.6-70.1-39.5000122.4
1510H26.6Very low25.2Very low163 Ų163141.3 Ų141.376%0.75572%0.723SS**  50.8132.5109.6-84.7-60.2000123.3
1511Q24.9Very low25.1Very low141 Ų141140.9 Ų140.966%0.65972%0.72SS**  trans75143.5155.5-64.1-178.563.300115.9
1512R23.2Very low25.2Very low172 Ų172139.9 Ų139.965%0.64972%0.718SS**  cis-159171.32.4-137.8-172.1-107.5-171.22.2112.2
1513Y28.2Very low25.3Very low183 Ų183136 Ų13672%0.71871%0.711SS**  trans81.5131.7157-70.9-61.5000123.2
1514S27.3Very low25.4Very low106 Ų106135.9 Ų135.974%0.74171%0.713SS**  trans56.7104.114555.20000123.3
1515H22.9Very low25.3Very low184 Ų184133.8 Ų133.885%0.85271%0.706SS**  -8.6162.9122.1-88.3-30.6000120
1516P31.3Very low25.1Very low94 Ų94134.6 Ų134.661%0.6171%0.707SS**  cis-140.7-179.83.434.2-11.9000118.2
1517H25Very low25Very low176 Ų176136.3 Ų136.382%0.81571%0.709SS**  trans73.888.2154.7-65.7-52.1000121.8
1518S26.2Very low24.9Very low95 Ų95135.6 Ų135.666%0.66471%0.705SS**  trans-63.3156.9134.4570000110.3
1519S23.4Very low24.6Very low115 Ų115140.7 Ų140.780%0.80472%0.715SS**  cis69.2161.133.293.60000114.9
1520S22.4Very low24.3Very low95 Ų95138.9 Ų138.966%0.66471%0.705SS**SBendtrans-76.9164.6-161.350.20000116.2
1521N23.3Very low24.3Very low138 Ų138139.9 Ų139.974%0.73871%0.71SS**  trans79.7140.4161.1-65.4-10.8000119.7
1522N24.2Very low24.2Very low136 Ų136138.5 Ų138.573%0.72772%0.716SS**  trans78.1144.8150.1-62.2-8.4000121.5
1523N23.8Very low24.3Very low119 Ų119138.7 Ų138.764%0.63673%0.725SS**  trans67.1115.2161.9-53-24.4000116.2
1524N24.7Very low24Very low151 Ų151137 Ų13781%0.80772%0.723SS**  -135.514159.1-66.3-47.4000111.2
1525T22.4Very low23.8Very low96 Ų96139.7 Ų139.759%0.58972%0.724SS**  cis62.9120.112.768.70000118.1
1526S21.5Very low23.9Very low89 Ų89138.5 Ų138.562%0.62272%0.719SS**  trans66.5156.2170.2-149.20000114
1527F23.9Very low23.5Very low168 Ų168141.6 Ų141.674%0.73773%0.725SS**  cis-154.3165.631.9-84.8-83.3000109
1528R22.8Very low23.5Very low172 Ų172140 Ų14065%0.64972%0.718SS**  cis-162.4164.2-22-148-171.8-173.7129.51.8105.8D1530R1528-D1530 IonicContact CZ-OD2 3.99Å; R1528-D1530 IonicContact NE-OD2 3.24Å; R1528-D1530 PolarHBondContact NE-OD2 2.82Å
1529W20.1Very low23.4Very low230 Ų230143.4 Ų143.487%0.87172%0.723SS**  trans-103.8138.9145.1-108.263.5000107.8
1530D22.1Very low23.6Very low94 Ų94143 Ų14350%0.50372%0.718SS.*  trans-155.1143.5147.1-106.9-47.1000111.6R1528 R2098R1528-D1530 IonicContact CZ-OD2 3.99Å; R1528-D1530 IonicContact NE-OD2 3.24Å; R1528-D1530 PolarHBondContact NE-OD2 2.82Å; D1530-R2098 IonicContact OD1-NH2 3.36Å; D1530-R2098 IonicContact OD2-NH2 3.82Å; D1530-R2098 PolarHBondContact OD2-NH2 3.11Å
1531Q27.2Very low23.7Very low184 Ų184144.4 Ų144.486%0.8672%0.722SS**  trans49.9136159.8-64.3-177.3-9.600122.5
1532S21.5Very low23.7Very low112 Ų112142.7 Ų142.778%0.78372%0.721SS**  trans-113.9131.5156.253.40000109.8
1533Q25.9Very low23.7Very low176 Ų176143.1 Ų143.182%0.82272%0.723SS**  trans-157.5129.2149.8-103.5-164.833.800111.9
1534Q22.9Very low23.7Very low148 Ų148144.9 Ų144.969%0.69272%0.722SS**  trans45129.1147-55.6-167.115.400122.4
1535Q23.3Very low23.6Very low162 Ų162143.3 Ų143.376%0.75771%0.714SS**  trans66.4122.7150.8-64.6-177.16000117.4
1536Q24.4Very low23.6Very low158 Ų158146.2 Ų146.274%0.73871%0.714SS**  cis-140.3150.40.6-65.4-177.3-6.900111.5
1537Q22.6Very low23.6Very low159 Ų159147 Ų14774%0.74372%0.719SS**  trans24.1136.9132-55.8-175.328.200119.2
1538Q25.6Very low23.5Very low143 Ų143146.7 Ų146.767%0.66872%0.721SS**  cis-164.6133.719.1-121.8167.968.300111.8
1539Q22.8Very low23.6Very low166 Ų166145.3 Ų145.378%0.77673%0.725SS**  trans47.1170.4136.5-60.5-178-0.800123.1
1540P28.9Very low23.8Very low108 Ų108139.6 Ų139.670%0.70172%0.72SS**  cis-118.2146.7-23.511.612.8000112.9
1541V24.5Very low24.1Very low124 Ų124141.7 Ų141.775%0.75273%0.73SS**  73.4128.879.6-179.40000116.1
1542S22.3Very low24.3Very low102 Ų102136.4 Ų136.471%0.71371%0.712SS**  trans67.7150.9160.467.90000118.6
1543D25.1Very low24.4Very low144 Ų144135.3 Ų135.377%0.7770%0.697SS**  cis-155.8-177.1-7.9-125.4-35.5000114.5
1544Y22.4Very low24.5Very low156 Ų156133.8 Ų133.861%0.61270%0.7SS**  trans-28.6148.9175.4-96.7-104.2000123.3N1577Y1544-N1577 WeakPolarHBondContact CE1-O 3.49Å; Y1544-N1577 PolarHBondContact OH-O 3.08Å
1545D23.1Very low24.5Very low118 Ų118131.6 Ų131.663%0.63170%0.7SS**  trans86.5110.1141.3-108.2-30.4000125.2
1546R23Very low24.7Very low158 Ų158130 Ų13060%0.59670%0.701SS**  trans67.7128.4131.7-97.7176.7177.4165.95.3125.1
1547C21.4Very low24.8Very low106 Ų106128 Ų12872%0.71670%0.703SS**  trans65.9116.7146.5-640000117.5
1548M22Very low25.1Very low161 Ų161126.2 Ų126.279%0.79370%0.704SS**  -165148.383.6-96.2-58.3-162.100114.3
1549I23.7Very low25.1Very low142 Ų142126.7 Ų126.773%0.72871%0.711SS**  trans59.3120.6149.4-50.6157.3000116.7
1550S24.6Very low25.1Very low110 Ų110124.6 Ų124.677%0.76971%0.711SS**  -168.6156.179.9-58.40000113.3
1551I29.3Very low24.9Very low138 Ų138123.7 Ų123.771%0.70871%0.708SS**  trans-142.5152.4170.1-34.7176.6000107.4M1429M1429-I1551 WeakPolarHBondContact CE-O 3.36Å
1552P30.8Very low24.9Very low74 Ų74124.3 Ų124.348%0.48171%0.711SS.*  -155.2142.2112.537-17.5000119.3M1429 N1430M1429-P1552 HydrophobicContact CB-CB 4.08Å; M1429-P1552 HydrophobicContact CE-CB 4.18Å; M1429-P1552 HydrophobicContact SD-CB 4.01Å; N1430-P1552 WeakPolarHBondContact OD1-CB 3.45Å; N1430-P1552 WeakPolarHBondContact OD1-CG 3.4Å
1553N24.9Very low25Very low88 Ų88127.1 Ų127.147%0.47171%0.711SS.*  trans45.5141.7133.7-63.6-4.5000126.5M1429 N1430M1429-N1553 WeakPolarHBondContact CB-ND2 3.33Å; M1429-N1553 PolarHBondContact O-ND2 3.49Å; N1430-N1553 PolarHBondContact ND2-O 3.18Å; N1430-N1553 PolarHBondContact OD1-O 3.28Å
1554V26.1Very low24.8Very low145 Ų145125.5 Ų125.588%0.87971%0.711SS**  trans-134.2158.1133.4175.10000108
1555S24.4Very low24.9Very low101 Ų101125.8 Ų125.871%0.70672%0.72SS**  trans-105.9173.4-156.8-58.80000117.6
1556V27.6Very low25Very low128 Ų128124.1 Ų124.178%0.77672%0.718SS**  trans-107.2153.4-175.8176.50000112
1557P26Very low25Very low118 Ų118121.8 Ų121.877%0.76672%0.721SS**  trans-122.9161.314235.5-24.7000112.1
1558P28.9Very low25.2Very low120 Ų120122.5 Ų122.578%0.77971%0.714SS**  -119.2172.9-111.538.3-29.6000117.2
1559L25.4Very low25.2Very low153 Ų153122.3 Ų122.380%0.80172%0.716SS**  trans-68164.7169.3-82.9165.7000112.8
1560P23.6Very low25.2Very low122 Ų122119 Ų11979%0.79270%0.704SS**  -116142.2107.933-35000114.2
1561S23Very low25.1Very low89 Ų89121.1 Ų121.162%0.62271%0.706SS**  trans-65.3156.6161.443.10000110.7
1562V25.9Very low24.9Very low137 Ų137123 Ų12383%0.8371%0.709SS**  -173147.878.5148.40000108.8
1563F23.1Very low24.6Very low161 Ų161127.4 Ų127.471%0.70672%0.721SS**  cis-164.4136.9-27.6-178.6-88.4000107.5
1564S21.1Very low24.7Very low110 Ų110129 Ų12977%0.76973%0.73SS**  trans-162.895.3168.5-1710000112.3
1565M26.1Very low24.6Very low163 Ų163127.8 Ų127.880%0.80372%0.718SS**  trans-179.5120146.9-106.8156.150.300112.5
1566S23.7Very low24.7Very low83 Ų83130 Ų13058%0.5872%0.722SS**  trans-157.967.3164.2460000111.9
1567T23.4Very low24.6Very low108 Ų108129.3 Ų129.366%0.66371%0.714SS**SBendtrans-135.7141.7150.540.70000109
1568H25.4Very low24.6Very low122 Ų122128.3 Ų128.357%0.56571%0.71SS**  trans54.589.2-178.5-72.8-80.5000117.8L1661H1568-L1661 VanDerWaalsContact CE1-CB 3.48Å; H1568-L1661 WeakPolarHBondContact CE1-CB 3.42Å
1569N22.7Very low24.4Very low157 Ų157127 Ų12784%0.8470%0.703SS**  trans-92.5113.8134.2-109.3-13.3000108.3
1570C22.8Very low24.4Very low72 Ų72125.9 Ų125.949%0.48670%0.699SS.*  trans-165.5140.4156.2-108.10000113.2S1660C1570-S1660 PolarHBondContact SG-OG 3.37Å
1571L23.5Very low24.5Very low154 Ų154126.3 Ų126.381%0.80669%0.694SS**  trans6682.1159.6-58.7177.2000119.7
1572K24Very low24.5Very low177 Ų177128.9 Ų128.977%0.7770%0.701SS**  trans-169.8136.7133.7-110.5170.6175.6-178.70107.3
1573F24.9Very low24.4Very low167 Ų167129.6 Ų129.673%0.73270%0.7SS**  cis-128.3-1719.5-91.1-84.7000108.7
1574N26.2Very low24.5Very low122 Ų122126.9 Ų126.965%0.65270%0.699SS**  cis-155.2161.722-154.25.3000113.3
1575N24.8Very low24.7Very low119 Ų119127.8 Ų127.864%0.63670%0.702SS**  trans-131.7147.8178.6-158.937.8000110.5
1576N27.2Very low24.6Very low148 Ų148125.3 Ų125.379%0.79170%0.696SS**  trans-169.5150.9154.1-105.5-2.6000109.9
1577N25.8Very low24.6Very low113 Ų113132.5 Ų132.560%0.60471%0.712SS**  trans-98.3162.5-171.7-55.8-23000110.4Y1544Y1544-N1577 WeakPolarHBondContact CE1-O 3.49Å; Y1544-N1577 PolarHBondContact OH-O 3.08Å
1578S25Very low24.7Very low97 Ų97131.7 Ų131.768%0.67871%0.709SS**  cis-144.2-17827.9-146.20000110
1579S24.3Very low24.4Very low92 Ų92135.1 Ų135.164%0.64373%0.727SS**  cis-150.5-168.214.665.20000109.6
1580N25.9Very low24.4Very low131 Ų131135.9 Ų135.970%0.70172%0.723SS**  cis-151.8-166.215.2-147.7-76.8000111.8
1581N24.8Very low24.4Very low131 Ų131139.8 Ų139.870%0.70174%0.739SS**  trans-65.1145.1173.8-58.4-35000111.5
1582N24.4Very low24.5Very low143 Ų143140.4 Ų140.477%0.76574%0.742SS**SBendcis-136.3164.631.7-79.1-61.3000114.7
1583N24Very low24.5Very low151 Ų151140.4 Ų140.481%0.80775%0.745SS**  trans66.274.8164.4-62.7-4.1000118.4
1584P24.6Very low24.5Very low104 Ų104139.3 Ų139.368%0.67575%0.747SS**  trans-82.2143.4160.334.4-32.3000111.9V1586P1584-V1586 PolarHBondContact O-N 3.11Å
1585P25.9Very low24.4Very low129 Ų129140.9 Ų140.984%0.83875%0.754SS**  trans-73.8110.116630-31.6000109.7
1586V23.8Very low24.3Very low112 Ų112141.8 Ų141.868%0.67976%0.759SS**  trans-72.9139.1-177.5-177.80000110.7P1584 P1588P1584-V1586 PolarHBondContact O-N 3.11Å; V1586-P1588 HydrophobicContact CG1-CB 4.49Å; V1586-P1588 HydrophobicContact CG1-CG 4.17Å; V1586-P1588 VanDerWaalsContact O-CD 3.27Å; V1586-P1588 WeakPolarHBondContact O-CD 3.17Å
1587Y24Very low24.1Very low234 Ų234139 Ų13992%0.91875%0.752SS**  trans-87115.9157.2-87-100.3000108.8
1588P24.6Very low24Very low91 Ų91138.7 Ų138.759%0.59176%0.758SS**  trans-135.2137.4156.337-22.8000113.3V1586V1586-P1588 HydrophobicContact CG1-CB 4.49Å; V1586-P1588 HydrophobicContact CG1-CG 4.17Å; V1586-P1588 VanDerWaalsContact O-CD 3.27Å; V1586-P1588 WeakPolarHBondContact O-CD 3.17Å
1589M20.1Very low24Very low194 Ų194144.7 Ų144.796%0.95677%0.766SS**  trans-112.475.1142.9-117.9-72-172.700105.6
1590F21.5Very low24Very low173 Ų173152 Ų15276%0.75978%0.779SS**  trans-155.3147.7178-109.8-77.1000108.9
1591N23.9Very low23.8Very low153 Ų153155.2 Ų155.282%0.81879%0.788SS**  trans5898.9178.3-67.6-3.4000116.9
1592L24.6Very low23.7Very low167 Ų167153.8 Ų153.887%0.87479%0.788SS**  trans-145.875.7157.3-144.3172.3000110.2
1593Q25Very low23.7Very low177 Ų177152 Ų15283%0.82779%0.786SS**  trans-160.6141.9167.9-97.6165.622.200106.9
1594N24.7Very low24.3Very low144 Ų144150.2 Ų150.277%0.7778%0.783SS**SBendcis-115.31210.5-78.2-41.8000112.1
1595L23.9Very low24.2Very low155 Ų155152.8 Ų152.881%0.81279%0.79SS**SBend-139143125.5-112169.9000107.7
1596D22.1Very low24.3Very low138 Ų138150.9 Ų150.974%0.73878%0.78SS**  trans-49.6156.9-171.9-74.7-82.1000118.1
1597S22.5Very low24.3Very low90 Ų90149.5 Ų149.563%0.62978%0.776SS**  cis-167.6152.6-12-120.90000111.4
1598S23.8Very low24.4Very low106 Ų106144.2 Ų144.274%0.74177%0.768SS**  trans62.5155.1164.1760000118.2
1599R25.8Very low24.4Very low223 Ų223146 Ų14684%0.84278%0.777SS**  cis-152.3113.1-19.5-109.8168.1-168.8-175.54.2105.3
1600W23.5Very low24.6Very low245 Ų245142.4 Ų142.493%0.92877%0.766SS**  81.4137.799.4-80.340.7000116.9
1601F23.2Very low24.9Very low199 Ų199140.1 Ų140.187%0.87377%0.766SS**  trans-64.4173.6167.7-76.1-103.8000110.7
1602S22.9Very low24.9Very low102 Ų102137.4 Ų137.471%0.71376%0.76SS**  cis-165.3-17932.9-149.50000115
1603S22.5Very low25.4Very low104 Ų104135 Ų13573%0.72775%0.754SS**  trans-13.7158.1168.7-57.60000122.6
1604P37.8Very low25.6Very low114 Ų114131.8 Ų131.874%0.7475%0.748SS**  trans-93.5152.5179.537.6-35.2000114.6
1605L22.2Very low25.6Very low158 Ų158130.9 Ų130.983%0.82775%0.748SS**  -165.6168.3117.4-131.874.8000112.8
1606S27Very low25.7Very low89 Ų89130.4 Ų130.462%0.62275%0.751SS**  trans-101154.1-178.549.50000113.7
1607S24.7Very low26Very low84 Ų84127.3 Ų127.359%0.58775%0.752SS**  trans-157.9129.1149.3-66.40000106.9
1608V25.8Very low26.2Very low123 Ų123130 Ų13075%0.74576%0.764SS**  cis85.9113.937.61780000113.6
1609T25.1Very low26.4Very low128 Ų128130.1 Ų130.179%0.78576%0.763SS**  trans166.6142.7150.627.40000106.8
1610T24.5Very low26.5Very low119 Ų119125.7 Ų125.773%0.7376%0.761SS**  cis-163.8164.5-20.27.90000105.7
1611T26.4Very low26.6Very low124 Ų124119 Ų11976%0.76175%0.752SS**  cis-152.6174.716.8-18.40000111.8
1612S24.4Very low26.7Very low97 Ų97116.3 Ų116.368%0.67875%0.745SS**  trans-6.4142.4158.954.40000124.1
1613P34.9Very low26.9Very low116 Ų116116.2 Ų116.275%0.75374%0.74SS**  trans-82.8-166.116042.8-39000110.8
1614P30.4Very low27.1Very low110 Ų110116 Ų11671%0.71473%0.734SS**  cis-150.3-171.418.740.2-15.5000120.5
1615T24.9Very low26.4Very low124 Ų124113.1 Ų113.176%0.76172%0.717SS**  trans91.8132.4149.810.90000122
1616V24.3Very low26.8Very low145 Ų145111.6 Ų111.688%0.87971%0.71SS**  trans53.9117.3160.8-164.30000119.2
1617G28.6Very low26.6Very low74 Ų74113.8 Ų113.876%0.76372%0.715SS**  trans-179129.4164.800000112.6
1618V26.7Very low27.1Very low145 Ų145114 Ų11488%0.87971%0.714SS**  trans-90.8148.1179.2164.80000109.8
1619P29.7Very low27.1Very low110 Ų110114.7 Ų114.771%0.71471%0.712SS**  trans-101.1170-160.139.5-36.2000114.5
1620T27.5Very low27.3Very low130 Ų130116.2 Ų116.280%0.79871%0.71SS**  trans-163.3125.5156.15.80000112.5
1621S25Very low27.4Very low105 Ų105113.2 Ų113.273%0.73469%0.694SS**  trans68.3159.2133.990.70000118.8
1622I25.7Very low27.3Very low141 Ų141112.3 Ų112.372%0.72369%0.688SS**  cis-160.4150.8-9.8-128.5174.3000111.4
1623T27Very low27.4Very low101 Ų101114.4 Ų114.462%0.6269%0.691SS**  trans52.2128.5155.862.40000123.9
1624T25.8Very low27.2Very low99 Ų99113 Ų11361%0.60768%0.677SS**  64154.1129.761.80000121Q273Q273-T1624 VanDerWaalsContact OE1-C 3.26Å
1625S24.1Very low27.1Very low54 Ų54111.4 Ų111.438%0.37866%0.663SS.*  cis-167.4-171.6-19.755.80000109.3Q273 Q274Q273-S1625 VanDerWaalsContact OE1-CA 3.26Å; Q274-S1625 PolarHBondContact NE2-O 3.27Å; Q274-S1625 VanDerWaalsContact NE2-O 3.09Å; Q274-S1625 VanDerWaalsContact OE1-C 3.26Å; Q274-S1625 PolarHBondContact OE1-O 2.68Å
1626N29.5Very low27.2Very low126 Ų126107.2 Ų107.267%0.67464%0.638SS**  trans75.175.7164.3-56.3-15.6000116.9Q274Q274-N1626 PolarHBondContact NE2-O 3.27Å
1627N23.4Very low27.3Very low135 Ų135104 Ų10472%0.72262%0.616SS**  trans-65169144.3-103.8-29.4000110.4
1628P34.8Very low27.2Very low89 Ų89106.4 Ų106.458%0.57861%0.612SS**  -139.6-147.8-62.732.1-7.8000111.5
1629I25.9Very low27Very low137 Ų137110.8 Ų110.870%0.70361%0.612SS**  trans84.2118.4160-44.2155.1000117.7
1630H29.1Very low26.6Very low160 Ų160115.4 Ų115.474%0.74162%0.621SS**  170.9146.9120.7-104.8-100.9000110.6R280R280-H1630 PolarHBondContact NH2-O 2.74Å; R280-H1630 VanDerWaalsContact NH2-O 3.09Å
1631S27.1Very low26.3Very low56 Ų56113.2 Ų113.239%0.39262%0.617SS.*  cis-178.8137.5-23.752.50000109.1R280R280-S1631 PolarHBondContact NH1-O 3.29Å; R280-S1631 PolarHBondContact NH2-O 2.99Å
1632T24.5Very low26.2Very low104 Ų104114.3 Ų114.364%0.63862%0.619SS**  trans-137.2115133.639.30000104.6
1633L27.4Very low26.2Very low142 Ų142115 Ų11574%0.74362%0.623SS**  59.911799.5-64169.3000111.5
1634N29.2Very low25.9Very low87 Ų87116.7 Ų116.747%0.46563%0.628SS.*  cis-156.2176.5-2.5-149.8-15.2000111.3N411N411-N1634 PolarHBondContact ND2-ND2 3.06Å; N411-N1634 WeakPolarHBondContact OD1-CB 3.34Å; N411-N1634 PolarHBondContact OD1-OD1 3.03Å
1635N28Very low25.8Very low76 Ų76118 Ų11841%0.40663%0.631SS.*  trans-52.1-172.6-178.2-79.5-78.1000117.2N411 N412N411-N1635 VanDerWaalsContact CA-C 3.49Å; N411-N1635 VanDerWaalsContact CA-O 3.28Å; N411-N1635 WeakPolarHBondContact CA-O 3.3Å; N411-N1635 HydrophobicContact CB-CB 3.95Å; N411-N1635 PolarHBondContact N-O 2.95Å; N411-N1635 WeakPolarHBondContact OD1-CA 3.31Å; N411-N1635 WeakPolarHBondContact OD1-CB 3.44Å; N411-N1635 PolarHBondContact OD1-N 2.98Å; N411-N1635 PolarHBondContact OD1-O 3.38Å; N411-N1635 VanDerWaalsContact OD1-O 3.13Å; N412-N1635 WeakPolarHBondContact OD1-CB 3.48Å; N412-N1635 PolarHBondContact OD1-OD1 3.04Å
1636S27.6Very low25.9Very low36 Ų36121 Ų12125%0.25264%0.643SS.*  -173.6156.5-59.261.60000111.1N412 H413 T414N412-S1636 CarbonylContact C-O 3.59Å; N412-S1636 WeakPolarHBondContact CA-O 3.14Å; N412-S1636 PolarHBondContact N-O 3.11Å; N412-S1636 PolarHBondContact OD1-OG 2.91Å; H413-S1636 WeakPolarHBondContact CA-OG 3.43Å; H413-S1636 PolarHBondContact N-O 2.79Å; T414-S1636 PolarHBondContact N-OG 3.08Å; T414-S1636 VanDerWaalsContact N-OG 3.11Å
1637N26.7Very low25.6Very low77 Ų77120 Ų12041%0.41263%0.634SS.*  trans49.4125.5140.2-70.329.5000126.2N412 H413 T414 N415N412-N1637 CarbonylContact C-O 3.56Å; H413-N1637 PolarHBondContact N-O 2.96Å; H413-N1637 VanDerWaalsContact N-O 3.16Å; T414-N1637 PolarHBondContact O-ND2 2.88Å; N415-N1637 PolarHBondContact N-ND2 2.87Å
1638N26.3Very low25.6Very low125 Ų125122.1 Ų122.167%0.66865%0.645SS**  trans76.1118.5130.6-64.6-23.6000121.7T414T414-N1638 PolarHBondContact O-ND2 3.32Å
1639R22.1Very low25.1Very low237 Ų237122.7 Ų122.789%0.89464%0.642SS**  -165.416394-99.5174.3-170.2-166.73.5113.8
1640F21.1Very low24.9Very low206 Ų206123 Ų12390%0.90465%0.65SS**  trans-34.7137.8173.7-66.8-108.9000116.8
1641A22.4Very low24.8Very low84 Ų84118.3 Ų118.369%0.69465%0.645SS**  -177.3130.6119.900000114.1
1642T21.9Very low24.6Very low129 Ų129122.7 Ų122.779%0.79166%0.664SS**  trans59.9152141.558.30000123.7
1643I25.3Very low24.5Very low156 Ų156124.2 Ų124.280%0.867%0.668SS**  trans83.398.4162.6-63.4156.8000116.8
1644D21.7Very low24.4Very low136 Ų136126.7 Ų126.773%0.72768%0.678SS**  trans-64.1169.6160.5-52.1-94.4000113.9
1645N23.6Very low24.1Very low125 Ų125128.4 Ų128.467%0.66869%0.687SS**  trans65.3124.9152.8-65.3-50000117.3
1646N25.8Very low24Very low117 Ų117132.8 Ų132.863%0.62671%0.711SS**  -152.9132.867.3-93-65.4000115.8
1647Q23.2Very low23.8Very low106 Ų106137.7 Ų137.750%0.49573%0.734SS.*  26.9124.6125.9-53.9179.962.700119.3I1649Q1647-I1649 HydrophobicContact CB-CD1 4.13Å; Q1647-I1649 HydrophobicContact CB-CG1 3.74Å; Q1647-I1649 WeakPolarHBondContact O-CB 3.2Å; Q1647-I1649 WeakPolarHBondContact O-CD1 3.3Å; Q1647-I1649 WeakPolarHBondContact O-CG1 3.48Å
1648L23.5Very low23.7Very low179 Ų179141.2 Ų141.294%0.93775%0.753SS**  -80.1106.8129.5-66.7164.4000105.3
1649I24.3Very low23.6Very low101 Ų101141.6 Ų141.652%0.51876%0.755SS.*  cis51.573.838.6-58.6173.9000110.5Q1647 G1651Q1647-I1649 HydrophobicContact CB-CD1 4.13Å; Q1647-I1649 HydrophobicContact CB-CG1 3.74Å; Q1647-I1649 WeakPolarHBondContact O-CB 3.2Å; Q1647-I1649 WeakPolarHBondContact O-CD1 3.3Å; Q1647-I1649 WeakPolarHBondContact O-CG1 3.48Å; I1649-G1651 PolarHBondContact O-N 3.26Å
1650V22.9Very low23.6Very low144 Ų144133.2 Ų133.287%0.87373%0.732SS**  trans-69.7104.7137.2175.30000105.6N1652V1650-N1652 PolarHBondContact O-N 3.13Å; V1650-N1652 VanDerWaalsContact O-N 3.13Å
1651G25.8Very low23.8Very low62 Ų62128.2 Ų128.264%0.63971%0.714SS**  trans-72.4102.2-170.900000113.4I1649 N1653I1649-G1651 PolarHBondContact O-N 3.26Å; G1651-N1653 PolarHBondContact O-N 3.5Å
1652N23.1Very low23.9Very low147 Ų147131.9 Ų131.979%0.78672%0.722SS**  trans-79.4103.3156.6-87.9-1.4000108.9V1650V1650-N1652 PolarHBondContact O-N 3.13Å; V1650-N1652 VanDerWaalsContact O-N 3.13Å
1653N22.7Very low24.4Very low137 Ų137132.8 Ų132.873%0.73372%0.717SS**  169.1116.9123.6-85-14.3000111.7G1651G1651-N1653 PolarHBondContact O-N 3.5Å
1654M24.2Very low25Very low193 Ų193130.7 Ų130.795%0.95171%0.708SS**  -138.8146.1110.9-83.9-143.4-12300109.1
1655N22.9Very low25.7Very low123 Ų123128.7 Ų128.766%0.65870%0.702SS**  trans-73139178.8-65.2-48.1000110.3
1656N26.9Very low26.4Very low168 Ų168127.1 Ų127.190%0.89869%0.691SS**  trans-150.5116.4132.5-106.6-30.3000109.1
1657N23.7Very low27.1Very low139 Ų139125 Ų12574%0.74368%0.675SS**  trans-82.1133-179.6-72.6-45.5000110.1
1658N25.1Very low27.9Very low151 Ų151128.2 Ų128.281%0.80768%0.682SS**  -156.8155.3125.9-103.6-38.9000111.9
1659L22.8Very low28.8Very low134 Ų134126.5 Ų126.570%0.70266%0.663SS**  trans-70.2163.7-165.1-61.592.8000112.2
1660S21.8Very low29.8Very low60 Ų60123.6 Ų123.642%0.4265%0.651SS.*  cis-156.9-18028.169.90000115.1C1570C1570-S1660 PolarHBondContact SG-OG 3.37Å
1661L25.4Very low31.2Very low102 Ų102119.4 Ų119.453%0.53462%0.624SS.*  trans64.593.2171.1-76.9157.8000116H1568H1568-L1661 VanDerWaalsContact CE1-CB 3.48Å; H1568-L1661 WeakPolarHBondContact CE1-CB 3.42Å
1662N26.1Very low32.6Very low161 Ų161121.9 Ų121.986%0.86162%0.619SS**  trans-134.2130.5169.5-161.6-4000109.6
1663Q31.8Very low34.3Very low147 Ų147117.7 Ų117.769%0.68760%0.598SS**  trans-121.6153.9-179.2-78.7-171-8.600111.5
1664N37.4Very low36Very low112 Ų112112 Ų11260%0.59957%0.568SS**  trans-44.5127.2-164.7-117.8-51.6000115.6Q1666 Y1667 R1668N1664-Q1666 VanDerWaalsContact C-N 3.29Å; N1664-Q1666 PolarHBondContact O-N 3.24Å; N1664-Y1667 WeakPolarHBondContact O-CB 3.36Å; N1664-Y1667 PolarHBondContact O-N 3.02Å; N1664-R1668 PolarHBondContact O-N 2.93Å
1665P37.8Very low37.8Very low95 Ų95106.8 Ų106.862%0.61754%0.54SS*.Hα-helixtrans-67.1-26.3-179.626.4-34.6000113.6Y1667 R1669P1665-Y1667 VanDerWaalsContact C-N 3.34Å; P1665-R1669 PolarHBondContact O-N 3.39Å
1666Q38.3Very low39.9Very low91 Ų91105.5 Ų105.543%0.42553%0.533SS..Hα-helixtrans-67.5-36.1172.6-61.7-70.930.700111.6N1664 R1668 R1669 C1670N1664-Q1666 VanDerWaalsContact C-N 3.29Å; N1664-Q1666 PolarHBondContact O-N 3.24Å; Q1666-R1668 VanDerWaalsContact C-N 3.35Å; Q1666-R1668 PolarHBondContact O-N 2.79Å; Q1666-R1669 PolarHBondContact O-N 3.3Å; Q1666-R1669 VanDerWaalsContact O-N 3.16Å; Q1666-C1670 PolarHBondContact O-N 3.16Å
1667Y40.3Very low41.7Very low74 Ų7499.9 Ų99.929%0.2950%0.499SS..Hα-helixtrans-65.3-37.9178.7-171.3-119000111.7S1286 N1664 P1665 R1669 C1670 L1671S1286-Y1667 WeakPolarHBondContact OG-CE2 3.21Å; S1286-Y1667 PolarHBondContact OG-OH 2.95Å; N1664-Y1667 WeakPolarHBondContact O-CB 3.36Å; N1664-Y1667 PolarHBondContact O-N 3.02Å; P1665-Y1667 VanDerWaalsContact C-N 3.34Å; Y1667-R1669 PolarHBondContact O-N 3.42Å; Y1667-C1670 PolarHBondContact O-N 2.93Å; Y1667-L1671 HydrophobicContact CD1-CD1 3.78Å; Y1667-L1671 HydrophobicContact CE1-CD1 3.57Å; Y1667-L1671 HydrophobicContact CE1-CG 4.4Å; Y1667-L1671 HydrophobicContact CG-CD1 4.43Å; Y1667-L1671 WeakPolarHBondContact O-CB 3.48Å; Y1667-L1671 PolarHBondContact O-N 3.46Å
1668R39.7Very low43.9Very low172 Ų17294.3 Ų94.365%0.64947%0.468SS*.Hα-helixtrans-57.1-46.2170.1-78.6-162.4179.5-150.24.9112.4N1664 Q1666 L1671 E1672N1664-R1668 PolarHBondContact O-N 2.93Å; Q1666-R1668 VanDerWaalsContact C-N 3.35Å; Q1666-R1668 PolarHBondContact O-N 2.79Å; R1668-L1671 PolarHBondContact O-N 3.29Å; R1668-E1672 WeakPolarHBondContact O-CB 3.29Å; R1668-E1672 WeakPolarHBondContact O-CG 3.36Å; R1668-E1672 PolarHBondContact O-N 2.95Å
1669R41.9Very low46.1Very low144 Ų14487.5 Ų87.554%0.54343%0.432SS..Hα-helixtrans-63.5-42.9179.4-72-179.5172.9165.5-1.3112.2P1665 Q1666 Y1667 E1672 T1673P1665-R1669 PolarHBondContact O-N 3.39Å; Q1666-R1669 PolarHBondContact O-N 3.3Å; Q1666-R1669 VanDerWaalsContact O-N 3.16Å; Y1667-R1669 PolarHBondContact O-N 3.42Å; R1669-E1672 PolarHBondContact O-N 3.3Å; R1669-T1673 WeakPolarHBondContact O-CG2 3.38Å; R1669-T1673 PolarHBondContact O-N 2.61Å; R1669-T1673 PolarHBondContact O-OG1 2.97Å
1670C46.2Very low48.3Very low39 Ų3987 Ų8726%0.26442%0.421SS..Hα-helixtrans-57.3-51.9172.6-67.70000110.9Q1666 Y1667 E1672 T1673 L1674Q1666-C1670 PolarHBondContact O-N 3.16Å; Y1667-C1670 PolarHBondContact O-N 2.93Å; C1670-E1672 VanDerWaalsContact C-N 3.3Å; C1670-E1672 PolarHBondContact O-N 3.3Å; C1670-T1673 PolarHBondContact O-N 2.9Å; C1670-T1673 PolarHBondContact O-OG1 3.38Å; C1670-L1674 WeakPolarHBondContact O-CG 3.38Å; C1670-L1674 PolarHBondContact O-N 2.88Å
1671L50.9Low50.6Low57 Ų5784.3 Ų84.330%0.29840%0.402SS..Hα-helixtrans-57.4-37.6176.7-81.4166.8000113.6Y1667 R1668 K1675Y1667-L1671 HydrophobicContact CD1-CD1 3.78Å; Y1667-L1671 HydrophobicContact CE1-CD1 3.57Å; Y1667-L1671 HydrophobicContact CE1-CG 4.4Å; Y1667-L1671 HydrophobicContact CG-CD1 4.43Å; Y1667-L1671 WeakPolarHBondContact O-CB 3.48Å; Y1667-L1671 PolarHBondContact O-N 3.46Å; R1668-L1671 PolarHBondContact O-N 3.29Å; L1671-K1675 WeakPolarHBondContact O-CB 3.48Å; L1671-K1675 WeakPolarHBondContact O-CD 3.22Å; L1671-K1675 WeakPolarHBondContact O-CG 3.3Å; L1671-K1675 PolarHBondContact O-N 3.31Å
1672E56.4Low53.1Low114 Ų11479.5 Ų79.553%0.53338%0.377SS..Hα-helixtrans-68-42.9176.6-76.3164.7-170.200111.9R1668 R1669 C1670 K1675 L1676R1668-E1672 WeakPolarHBondContact O-CB 3.29Å; R1668-E1672 WeakPolarHBondContact O-CG 3.36Å; R1668-E1672 PolarHBondContact O-N 2.95Å; R1669-E1672 PolarHBondContact O-N 3.3Å; C1670-E1672 VanDerWaalsContact C-N 3.3Å; C1670-E1672 PolarHBondContact O-N 3.3Å; E1672-K1675 PolarHBondContact O-N 2.94Å; E1672-L1676 PolarHBondContact O-N 3.31Å
1673T58.3Low55.4Low58 Ų5871.9 Ų71.936%0.35634%0.336SS..Hα-helixtrans-66-38.117562.60000112.7R1669 C1670 L1676 R1677R1669-T1673 WeakPolarHBondContact O-CG2 3.38Å; R1669-T1673 PolarHBondContact O-N 2.61Å; R1669-T1673 PolarHBondContact O-OG1 2.97Å; C1670-T1673 PolarHBondContact O-N 2.9Å; C1670-T1673 PolarHBondContact O-OG1 3.38Å; T1673-L1676 PolarHBondContact O-N 3.39Å; T1673-R1677 WeakPolarHBondContact O-CG 3.38Å; T1673-R1677 PolarHBondContact O-N 3.44Å; T1673-R1677 VanDerWaalsContact O-N 3.08Å
1674L57.2Low57.1Low18 Ų1865.5 Ų65.59%0.09431%0.308CS..Hα-helixtrans-63.8-47174.6-71170000111.3Y1289 C1670 L1676 R1677 Q1678Y1289-L1674 HydrophobicContact CD2-CD2 4.28Å; C1670-L1674 WeakPolarHBondContact O-CG 3.38Å; C1670-L1674 PolarHBondContact O-N 2.88Å; L1674-L1676 VanDerWaalsContact C-N 3.31Å; L1674-L1676 PolarHBondContact O-N 3.45Å; L1674-R1677 PolarHBondContact O-N 2.76Å; L1674-Q1678 WeakPolarHBondContact O-CG 3.39Å; L1674-Q1678 PolarHBondContact O-N 3Å
1675K63.3Low58.8Low84 Ų8460.3 Ų60.337%0.36528%0.281SS..Hα-helixtrans-58.3-40.3175.3-73.6163.5-170.9171.40112.4L1671 E1672 Q1678 T1679L1671-K1675 WeakPolarHBondContact O-CB 3.48Å; L1671-K1675 WeakPolarHBondContact O-CD 3.22Å; L1671-K1675 WeakPolarHBondContact O-CG 3.3Å; L1671-K1675 PolarHBondContact O-N 3.31Å; E1672-K1675 PolarHBondContact O-N 2.94Å; K1675-Q1678 PolarHBondContact O-N 2.75Å; K1675-T1679 WeakPolarHBondContact O-CG2 3.48Å; K1675-T1679 PolarHBondContact O-N 2.68Å; K1675-T1679 PolarHBondContact O-OG1 3.11Å
1676L67Low60.5Low95 Ų9556 Ų5650%0.49725%0.252SS..Hα-helixtrans-63.8-46.2176-176.961.1000111.6E1672 T1673 L1674 T1679 R1680E1672-L1676 PolarHBondContact O-N 3.31Å; T1673-L1676 PolarHBondContact O-N 3.39Å; L1674-L1676 VanDerWaalsContact C-N 3.31Å; L1674-L1676 PolarHBondContact O-N 3.45Å; L1676-T1679 PolarHBondContact O-N 3.45Å; L1676-T1679 PolarHBondContact O-OG1 3Å; L1676-R1680 PolarHBondContact O-N 3.13Å; L1676-R1680 VanDerWaalsContact O-N 3.13Å
1677R64.5Low61.9Low50 Ų5056.5 Ų56.519%0.18925%0.25CS..Hα-helixtrans-62.4-43.7176.5-68.1-180-173.9-99.720.7112.2Y1289 H1292 S1293 E1296 T1673 L1674 T1679 R1680 L1681Y1289-R1677 PolarHBondContact OH-NH2 3.28Å; H1292-R1677 HydrophobicContact CB-CB 4.37Å; S1293-R1677 PolarHBondContact OG-NH1 3.36Å; S1293-R1677 PolarHBondContact OG-NH2 3.18Å; E1296-R1677 IonicContact OE2-CZ 3.46Å; E1296-R1677 IonicContact OE2-NH1 2.68Å; E1296-R1677 PolarHBondContact OE2-NH1 3.5Å; T1673-R1677 WeakPolarHBondContact O-CG 3.38Å; T1673-R1677 PolarHBondContact O-N 3.44Å; T1673-R1677 VanDerWaalsContact O-N 3.08Å; L1674-R1677 PolarHBondContact O-N 2.76Å; R1677-T1679 VanDerWaalsContact C-N 3.32Å; R1677-T1679 PolarHBondContact O-N 3.06Å; R1677-R1680 PolarHBondContact O-N 3.11Å; R1677-L1681 WeakPolarHBondContact O-CB 3.39Å; R1677-L1681 PolarHBondContact O-N 3.21Å
1678Q69.3Low63.2Low22 Ų2255 Ų5510%0.10325%0.249CC..Hα-helixtrans-54-46.4172.8-72.5165.7-9.400111.5M1369 S1372 L1674 K1675 L1681 A1682M1369-Q1678 HydrophobicContact SD-CB 4.28Å; M1369-Q1678 HydrophobicContact SD-CG 4.37Å; S1372-Q1678 PolarHBondContact OG-NE2 2.96Å; L1674-Q1678 WeakPolarHBondContact O-CG 3.39Å; L1674-Q1678 PolarHBondContact O-N 3Å; K1675-Q1678 PolarHBondContact O-N 2.75Å; Q1678-L1681 PolarHBondContact O-N 3.42Å; Q1678-A1682 VanDerWaalsContact O-CB 3.3Å; Q1678-A1682 WeakPolarHBondContact O-CB 3.4Å; Q1678-A1682 PolarHBondContact O-N 3.32Å
1679T71.6Confident64.6Low8 Ų847 Ų475%0.04922%0.219CC..Hα-helixtrans-64.7-40.9178.857.70000113.5K1675 L1676 R1677 A1682 V1683 I1716K1675-T1679 WeakPolarHBondContact O-CG2 3.48Å; K1675-T1679 PolarHBondContact O-N 2.68Å; K1675-T1679 PolarHBondContact O-OG1 3.11Å; L1676-T1679 PolarHBondContact O-N 3.45Å; L1676-T1679 PolarHBondContact O-OG1 3Å; R1677-T1679 VanDerWaalsContact C-N 3.32Å; R1677-T1679 PolarHBondContact O-N 3.06Å; T1679-A1682 PolarHBondContact O-N 3.49Å; T1679-V1683 WeakPolarHBondContact O-CG2 3.45Å; T1679-V1683 PolarHBondContact O-N 3.11Å; T1679-I1716 HydrophobicContact CG2-CD1 4.04Å; T1679-I1716 HydrophobicContact CG2-CG1 4.06Å
1680R69.3Low65.8Low123 Ų12343 Ų4346%0.46421%0.206SC..Hα-helixtrans-62-45.8175.4-69.8176.8174-172.7-2.8111.8E1296 L1676 R1677 V1683 A1684E1296-R1680 WeakPolarHBondContact OE1-CD 3.21Å; E1296-R1680 IonicContact OE1-CZ 4Å; E1296-R1680 IonicContact OE1-NE 3.55Å; E1296-R1680 IonicContact OE1-NH1 2.68Å; E1296-R1680 PolarHBondContact OE1-NH1 3.45Å; L1676-R1680 PolarHBondContact O-N 3.13Å; L1676-R1680 VanDerWaalsContact O-N 3.13Å; R1677-R1680 PolarHBondContact O-N 3.11Å; R1680-V1683 PolarHBondContact O-N 3.31Å; R1680-A1684 WeakPolarHBondContact O-CB 3.42Å; R1680-A1684 PolarHBondContact O-N 3.47Å
1681L71Confident66.4Low5 Ų544.6 Ų44.63%0.02622%0.218CC..Hα-helixtrans-65.7-41.6-178.7-179.5163.2000111A1295 V1365 A1368 M1369 R1677 Q1678 A1684 L1685A1295-L1681 HydrophobicContact CB-CD1 4.16Å; V1365-L1681 HydrophobicContact CG1-CD1 4.1Å; V1365-L1681 HydrophobicContact CG1-CD2 3.2Å; V1365-L1681 HydrophobicContact CG1-CG 3.5Å; A1368-L1681 HydrophobicContact CB-CD1 4.4Å; M1369-L1681 HydrophobicContact CG-CD2 3.42Å; M1369-L1681 VanDerWaalsContact CG-CD2 3.42Å; M1369-L1681 HydrophobicContact SD-CD2 3.67Å; R1677-L1681 WeakPolarHBondContact O-CB 3.39Å; R1677-L1681 PolarHBondContact O-N 3.21Å; Q1678-L1681 PolarHBondContact O-N 3.42Å; L1681-A1684 PolarHBondContact O-N 3.35Å; L1681-L1685 HydrophobicContact CD2-CD1 4.4Å; L1681-L1685 PolarHBondContact O-N 3.18Å
1682A76.9Confident67.2Low1 Ų146.3 Ų46.31%0.00822%0.224CC..Hα-helixtrans-62.4-45.8173.100000112.5M1369 Q1678 T1679 A1684 L1685 I1686 I1707 I1716M1369-A1682 HydrophobicContact CE-CB 4.16Å; Q1678-A1682 VanDerWaalsContact O-CB 3.3Å; Q1678-A1682 WeakPolarHBondContact O-CB 3.4Å; Q1678-A1682 PolarHBondContact O-N 3.32Å; T1679-A1682 PolarHBondContact O-N 3.49Å; A1682-A1684 VanDerWaalsContact C-N 3.32Å; A1682-A1684 PolarHBondContact O-N 3.28Å; A1682-L1685 PolarHBondContact O-N 3.15Å; A1682-I1686 WeakPolarHBondContact O-CG1 3.49Å; A1682-I1686 PolarHBondContact O-N 2.84Å; A1682-I1707 HydrophobicContact CB-CD1 4.21Å; A1682-I1716 HydrophobicContact CB-CD1 3.8Å; A1682-I1716 HydrophobicContact CB-CG1 4.46Å
1683V74.2Confident67.6Low1 Ų145 Ų451%0.00622%0.219CC..Hα-helixtrans-60.1-43173.7169.40000110.7T1679 R1680 L1685 I1686 R1687 I1716 Q1719T1679-V1683 WeakPolarHBondContact O-CG2 3.45Å; T1679-V1683 PolarHBondContact O-N 3.11Å; R1680-V1683 PolarHBondContact O-N 3.31Å; V1683-L1685 PolarHBondContact O-N 3.09Å; V1683-I1686 PolarHBondContact O-N 2.98Å; V1683-I1686 VanDerWaalsContact O-N 3.16Å; V1683-R1687 WeakPolarHBondContact O-CG 3.13Å; V1683-R1687 PolarHBondContact O-N 3.16Å; V1683-I1716 HydrophobicContact CG2-CB 4.27Å; V1683-I1716 HydrophobicContact CG2-CG1 4.12Å; V1683-I1716 HydrophobicContact CG2-CG2 4Å; V1683-Q1719 HydrophobicContact CG1-CB 4.15Å; V1683-Q1719 HydrophobicContact CG2-CB 3.85Å
1684A68.8Low68.2Low12 Ų1249.1 Ų49.110%0.09924%0.235CC..Hα-helixtrans-66.8-32.4179.200000113.5L1299 R1680 L1681 A1682 R1687 V1688L1299-A1684 HydrophobicContact CD2-CB 3.45Å; L1299-A1684 VanDerWaalsContact CD2-CB 3.45Å; L1299-A1684 HydrophobicContact CG-CB 4.24Å; R1680-A1684 WeakPolarHBondContact O-CB 3.42Å; R1680-A1684 PolarHBondContact O-N 3.47Å; L1681-A1684 PolarHBondContact O-N 3.35Å; A1682-A1684 VanDerWaalsContact C-N 3.32Å; A1682-A1684 PolarHBondContact O-N 3.28Å; A1684-R1687 WeakPolarHBondContact O-CB 3.17Å; A1684-R1687 PolarHBondContact O-N 3.3Å; A1684-V1688 WeakPolarHBondContact O-CG2 3.41Å; A1684-V1688 PolarHBondContact O-N 3.31Å
1685L71.1Confident68.8Low4 Ų451.5 Ų51.52%0.02124%0.242CC..Hα-helixtrans-61.8-43.9168.2-82.2178.5000112.2F1362 V1365 L1681 A1682 V1683 R1687 V1688 S1689 I1699F1362-L1685 HydrophobicContact CD2-CD2 4.06Å; V1365-L1685 HydrophobicContact CB-CD2 3.96Å; V1365-L1685 HydrophobicContact CB-CG 4.39Å; V1365-L1685 HydrophobicContact CG1-CD1 3.84Å; V1365-L1685 HydrophobicContact CG1-CD2 3.66Å; V1365-L1685 HydrophobicContact CG1-CG 3.56Å; L1681-L1685 HydrophobicContact CD2-CD1 4.4Å; L1681-L1685 PolarHBondContact O-N 3.18Å; A1682-L1685 PolarHBondContact O-N 3.15Å; V1683-L1685 PolarHBondContact O-N 3.09Å; L1685-R1687 VanDerWaalsContact C-N 3.26Å; L1685-R1687 PolarHBondContact O-N 3.11Å; L1685-V1688 PolarHBondContact O-N 3.31Å; L1685-S1689 WeakPolarHBondContact O-CB 3.48Å; L1685-S1689 PolarHBondContact O-N 3.47Å; L1685-S1689 VanDerWaalsContact O-N 3.07Å; L1685-S1689 PolarHBondContact O-OG 2.9Å; L1685-I1699 HydrophobicContact CB-CD1 3.98Å; L1685-I1699 HydrophobicContact CB-CG1 4.38Å; L1685-I1699 HydrophobicContact CB-CG2 4.39Å
1686I74.5Confident69.5Low3 Ų347.6 Ų47.62%0.01523%0.225CC..Hα-helixtrans-64.1-35177.3-63.3172.4000110.4A1682 V1683 V1688 S1689 L1696 I1699 I1716 V1720 L1783A1682-I1686 WeakPolarHBondContact O-CG1 3.49Å; A1682-I1686 PolarHBondContact O-N 2.84Å; V1683-I1686 PolarHBondContact O-N 2.98Å; V1683-I1686 VanDerWaalsContact O-N 3.16Å; I1686-V1688 PolarHBondContact O-N 2.95Å; I1686-S1689 PolarHBondContact O-N 3.04Å; I1686-L1696 HydrophobicContact CG2-CD2 3.89Å; I1686-I1699 HydrophobicContact CD1-CG2 4.09Å; I1686-I1699 HydrophobicContact CG1-CG2 3.56Å; I1686-I1716 HydrophobicContact CD1-CG2 4.01Å; I1686-V1720 HydrophobicContact CB-CG2 4.27Å; I1686-V1720 HydrophobicContact CD1-CG2 3.59Å; I1686-V1720 HydrophobicContact CG2-CG1 4.05Å; I1686-V1720 HydrophobicContact CG2-CG2 3.84Å; I1686-L1783 HydrophobicContact CG2-CD2 3.64Å
1687R67.8Low69.8Low102 Ų10247 Ų4739%0.38522%0.223SC..Hα-helixtrans-63-38.1174.4-73-175.1165136.320.1114.4V1683 A1684 L1685 K1690 E1723V1683-R1687 WeakPolarHBondContact O-CG 3.13Å; V1683-R1687 PolarHBondContact O-N 3.16Å; A1684-R1687 WeakPolarHBondContact O-CB 3.17Å; A1684-R1687 PolarHBondContact O-N 3.3Å; L1685-R1687 VanDerWaalsContact C-N 3.26Å; L1685-R1687 PolarHBondContact O-N 3.11Å; R1687-K1690 WeakPolarHBondContact O-CE 3.34Å; R1687-K1690 WeakPolarHBondContact O-CG 3.17Å; R1687-E1723 WeakPolarHBondContact CG-OE1 3.4Å; R1687-E1723 WeakPolarHBondContact CG-OE2 3.37Å; R1687-E1723 IonicContact CZ-OE2 3.14Å; R1687-E1723 VanDerWaalsContact NE-CD 3.35Å; R1687-E1723 IonicContact NE-OE1 3.53Å; R1687-E1723 PolarHBondContact NE-OE1 2.94Å; R1687-E1723 IonicContact NE-OE2 2.85Å; R1687-E1723 PolarHBondContact NE-OE2 3.01Å; R1687-E1723 IonicContact NH2-OE2 2.68Å; R1687-E1723 PolarHBondContact NH2-OE2 3.1Å
1688V67.1Low70.3Confident42 Ų4249.1 Ų49.126%0.25524%0.235SC..Hα-helixtrans-77.1-27.3177.41740000111.4L1299 L1303 D1358 A1684 L1685 I1686L1299-V1688 HydrophobicContact CD1-CG2 4.44Å; L1303-V1688 HydrophobicContact CD2-CG2 4.1Å; D1358-V1688 HydrophobicContact CB-CG1 4.41Å; A1684-V1688 WeakPolarHBondContact O-CG2 3.41Å; A1684-V1688 PolarHBondContact O-N 3.31Å; L1685-V1688 PolarHBondContact O-N 3.31Å; I1686-V1688 PolarHBondContact O-N 2.95Å
1689S68.9Low70.5Confident4 Ų448.1 Ų48.13%0.02823%0.23CC..  trans-9910.5-168.1-52.40000115.7L1685 I1686 S1691 H1692 I1699L1685-S1689 WeakPolarHBondContact O-CB 3.48Å; L1685-S1689 PolarHBondContact O-N 3.47Å; L1685-S1689 VanDerWaalsContact O-N 3.07Å; L1685-S1689 PolarHBondContact O-OG 2.9Å; I1686-S1689 PolarHBondContact O-N 3.04Å; S1689-S1691 VanDerWaalsContact C-N 3.28Å; S1689-S1691 PolarHBondContact O-N 3.4Å; S1689-S1691 VanDerWaalsContact O-N 3.16Å; S1689-H1692 PolarHBondContact O-N 3.25Å; S1689-I1699 WeakPolarHBondContact OG-CD1 3.43Å
1690K67.7Low70.9Confident60 Ų6048.4 Ų48.426%0.26123%0.232SC..THydrogen-bonded Turntrans-52.1-40.6-170.2-62.8-179.7-178.8-1770114.6R1687 H1692 E1723 L1783R1687-K1690 WeakPolarHBondContact O-CE 3.34Å; R1687-K1690 WeakPolarHBondContact O-CG 3.17Å; K1690-H1692 VanDerWaalsContact C-N 3.29Å; K1690-H1692 PolarHBondContact O-N 2.95Å; K1690-E1723 VanDerWaalsContact CE-OE1 3.27Å; K1690-E1723 WeakPolarHBondContact CE-OE1 3.32Å; K1690-E1723 IonicContact NZ-OE1 3.54Å; K1690-E1723 PolarHBondContact NZ-OE1 3.32Å; K1690-L1783 HydrophobicContact CD-CD1 4.09Å; K1690-L1783 HydrophobicContact CG-CD1 4.09Å; K1690-L1783 HydrophobicContact CG-CD2 4.31Å
1691S59.5Low71.4Confident74 Ų7446.9 Ų46.952%0.51723%0.23SC..THydrogen-bonded Turntrans-78.5-4-176.753.40000114.7S1689S1689-S1691 VanDerWaalsContact C-N 3.28Å; S1689-S1691 PolarHBondContact O-N 3.4Å; S1689-S1691 VanDerWaalsContact O-N 3.16Å
1692H66.1Low71.5Confident93 Ų9347.2 Ų47.243%0.43123%0.232SC..  trans-128.292-172.4-70.1-59.8000112.1S1689 K1690 H1694 R1695 L1696S1689-H1692 PolarHBondContact O-N 3.25Å; K1690-H1692 VanDerWaalsContact C-N 3.29Å; K1690-H1692 PolarHBondContact O-N 2.95Å; H1692-H1694 VanDerWaalsContact C-N 3.27Å; H1692-H1694 PolarHBondContact O-N 2.8Å; H1692-H1694 VanDerWaalsContact O-N 3.16Å; H1692-R1695 HydrophobicContact CB-CB 3.95Å; H1692-R1695 HydrophobicContact CB-CG 3.89Å; H1692-R1695 WeakPolarHBondContact O-CA 3.27Å; H1692-R1695 WeakPolarHBondContact O-CB 3.2Å; H1692-R1695 PolarHBondContact O-N 3.49Å; H1692-L1696 PolarHBondContact O-N 2.99Å
1693I65.4Low71.6Confident85 Ų8547.2 Ų47.244%0.43623%0.231SC..Hα-helixtrans-52.6-39.4-178.7-164.1176.5000113.7R1695 L1696 D1697 F1782I1693-R1695 VanDerWaalsContact C-N 3.35Å; I1693-R1695 PolarHBondContact O-N 3.33Å; I1693-L1696 WeakPolarHBondContact O-CB 3.35Å; I1693-L1696 PolarHBondContact O-N 3.48Å; I1693-D1697 PolarHBondContact O-N 3.46Å; I1693-F1782 HydrophobicContact CD1-CD1 3.9Å; I1693-F1782 HydrophobicContact CD1-CE1 3.67Å; I1693-F1782 HydrophobicContact CD1-CZ 4.13Å; I1693-F1782 HydrophobicContact CG1-CD1 4.43Å
1694H70.8Confident71.8Confident146 Ų14650.5 Ų50.568%0.67625%0.249SC*.Hα-helixtrans-67.8-30.8176.2-62.8-61.5000113.3H1692 Q1698H1692-H1694 VanDerWaalsContact C-N 3.27Å; H1692-H1694 PolarHBondContact O-N 2.8Å; H1692-H1694 VanDerWaalsContact O-N 3.16Å; H1694-Q1698 WeakPolarHBondContact O-CB 3.49Å; H1694-Q1698 VanDerWaalsContact O-CG 3.22Å; H1694-Q1698 WeakPolarHBondContact O-CG 3.37Å; H1694-Q1698 PolarHBondContact O-N 2.95Å; H1694-Q1698 VanDerWaalsContact O-N 3.13Å
1695R70.4Confident72Confident67 Ų6755.6 Ų55.625%0.25327%0.271SS..Hα-helixtrans-72.7-37.6172.1-66.9-172.6-176.2-149-4.1110.6D1359 H1692 I1693 Q1698 I1699D1359-R1695 IonicContact OD1-CZ 3.49Å; D1359-R1695 IonicContact OD1-NH1 2.74Å; D1359-R1695 PolarHBondContact OD1-NH1 2.85Å; D1359-R1695 IonicContact OD1-NH2 3.33Å; D1359-R1695 PolarHBondContact OD1-NH2 2.92Å; H1692-R1695 HydrophobicContact CB-CB 3.95Å; H1692-R1695 HydrophobicContact CB-CG 3.89Å; H1692-R1695 WeakPolarHBondContact O-CA 3.27Å; H1692-R1695 WeakPolarHBondContact O-CB 3.2Å; H1692-R1695 PolarHBondContact O-N 3.49Å; I1693-R1695 VanDerWaalsContact C-N 3.35Å; I1693-R1695 PolarHBondContact O-N 3.33Å; R1695-Q1698 PolarHBondContact O-N 3.42Å; R1695-I1699 WeakPolarHBondContact O-CB 3.37Å; R1695-I1699 WeakPolarHBondContact O-CD1 3.34Å; R1695-I1699 WeakPolarHBondContact O-CG1 3.5Å; R1695-I1699 PolarHBondContact O-N 3.02Å
1696L77.4Confident71.8Confident2 Ų256.1 Ų56.11%0.0127%0.274CS..Hα-helixtrans-61.6-47.2175.1-67.2176.7000112.1I1686 H1692 I1693 I1699 V1700 F1782I1686-L1696 HydrophobicContact CG2-CD2 3.89Å; H1692-L1696 PolarHBondContact O-N 2.99Å; I1693-L1696 WeakPolarHBondContact O-CB 3.35Å; I1693-L1696 PolarHBondContact O-N 3.48Å; L1696-I1699 PolarHBondContact O-N 3.19Å; L1696-V1700 WeakPolarHBondContact O-CG2 3.46Å; L1696-V1700 PolarHBondContact O-N 2.89Å; L1696-F1782 HydrophobicContact CD1-CB 4.24Å
1697D74.2Confident71.8Confident84 Ų8456.1 Ų56.145%0.44927%0.274SS..Hα-helixtrans-61.1-47.3174.8175.935.5000111.8I1693 I1699 V1700 Q1701I1693-D1697 PolarHBondContact O-N 3.46Å; D1697-I1699 VanDerWaalsContact C-N 3.26Å; D1697-I1699 PolarHBondContact O-N 2.92Å; D1697-V1700 PolarHBondContact O-N 3.36Å; D1697-V1700 VanDerWaalsContact O-N 3.07Å; D1697-Q1701 WeakPolarHBondContact O-CG 3.33Å; D1697-Q1701 PolarHBondContact O-N 3.33Å; D1697-Q1701 PolarHBondContact OD1-NE2 3.05Å; D1697-Q1701 PolarHBondContact OD2-NE2 3.29Å
1698Q73.8Confident72Confident93 Ų9357.7 Ų57.744%0.43529%0.285SS..Hα-helixtrans-55.6-39.6172.8-74.6173.7800112.4H1694 R1695 Q1701 I1702H1694-Q1698 WeakPolarHBondContact O-CB 3.49Å; H1694-Q1698 VanDerWaalsContact O-CG 3.22Å; H1694-Q1698 WeakPolarHBondContact O-CG 3.37Å; H1694-Q1698 PolarHBondContact O-N 2.95Å; H1694-Q1698 VanDerWaalsContact O-N 3.13Å; R1695-Q1698 PolarHBondContact O-N 3.42Å; Q1698-Q1701 PolarHBondContact O-N 3.06Å; Q1698-I1702 WeakPolarHBondContact O-CB 3.38Å; Q1698-I1702 WeakPolarHBondContact O-CD1 3.25Å; Q1698-I1702 WeakPolarHBondContact O-CG1 3.47Å; Q1698-I1702 PolarHBondContact O-N 3.21Å
1699I74.4Confident72.6Confident1 Ų157.5 Ų57.51%0.00529%0.286CS..Hα-helixtrans-70-37.9176.7-68.4159.4000111.6F1362 L1685 I1686 S1689 R1695 L1696 D1697 I1702 C1703F1362-I1699 HydrophobicContact CE2-CD1 4.11Å; F1362-I1699 HydrophobicContact CE2-CG1 4Å; L1685-I1699 HydrophobicContact CB-CD1 3.98Å; L1685-I1699 HydrophobicContact CB-CG1 4.38Å; L1685-I1699 HydrophobicContact CB-CG2 4.39Å; I1686-I1699 HydrophobicContact CD1-CG2 4.09Å; I1686-I1699 HydrophobicContact CG1-CG2 3.56Å; S1689-I1699 WeakPolarHBondContact OG-CD1 3.43Å; R1695-I1699 WeakPolarHBondContact O-CB 3.37Å; R1695-I1699 WeakPolarHBondContact O-CD1 3.34Å; R1695-I1699 WeakPolarHBondContact O-CG1 3.5Å; R1695-I1699 PolarHBondContact O-N 3.02Å; L1696-I1699 PolarHBondContact O-N 3.19Å; D1697-I1699 VanDerWaalsContact C-N 3.26Å; D1697-I1699 PolarHBondContact O-N 2.92Å; I1699-I1702 PolarHBondContact O-N 3.19Å; I1699-C1703 WeakPolarHBondContact O-CB 3.36Å; I1699-C1703 PolarHBondContact O-N 3.02Å; I1699-C1703 PolarHBondContact O-SG 2.99Å
1700V79.7Confident73.1Confident14 Ų1458 Ų589%0.08529%0.29CS..Hα-helixtrans-62.8-42.9172.7171.60000110.6L1696 D1697 C1703 N1704 T1786 L1790 I1793L1696-V1700 WeakPolarHBondContact O-CG2 3.46Å; L1696-V1700 PolarHBondContact O-N 2.89Å; D1697-V1700 PolarHBondContact O-N 3.36Å; D1697-V1700 VanDerWaalsContact O-N 3.07Å; V1700-C1703 PolarHBondContact O-N 3.49Å; V1700-N1704 WeakPolarHBondContact O-CB 3.25Å; V1700-N1704 PolarHBondContact O-N 3.48Å; V1700-T1786 HydrophobicContact CG2-CG2 3.7Å; V1700-L1790 HydrophobicContact CG1-CD2 4.15Å; V1700-L1790 HydrophobicContact CG2-CD2 4.29Å; V1700-L1790 HydrophobicContact CG2-CG 4.27Å; V1700-I1793 HydrophobicContact CG1-CD1 3.87Å
1701Q79.1Confident73.6Confident91 Ų9157.7 Ų57.743%0.42529%0.293SS..Hα-helixtrans-63.7-44.1175.1-67174.127.700111.7D1697 Q1698 C1703 N1704 Q1705D1697-Q1701 WeakPolarHBondContact O-CG 3.33Å; D1697-Q1701 PolarHBondContact O-N 3.33Å; D1697-Q1701 PolarHBondContact OD1-NE2 3.05Å; D1697-Q1701 PolarHBondContact OD2-NE2 3.29Å; Q1698-Q1701 PolarHBondContact O-N 3.06Å; Q1701-C1703 PolarHBondContact O-N 3.29Å; Q1701-N1704 PolarHBondContact O-N 3.42Å; Q1701-Q1705 WeakPolarHBondContact O-CB 3.36Å; Q1701-Q1705 WeakPolarHBondContact O-CG 3.3Å; Q1701-Q1705 PolarHBondContact O-N 2.97Å
1702I73.7Confident74.6Confident12 Ų1255 Ų556%0.06227%0.274CS..Hα-helixtrans-61.3-42.1173.8-72.5162.2000111T1366 M1369 Q1698 I1699 Q1705 N1706T1366-I1702 HydrophobicContact CG2-CD1 3.75Å; M1369-I1702 HydrophobicContact CB-CG2 4.23Å; M1369-I1702 HydrophobicContact CE-CG2 4.49Å; Q1698-I1702 WeakPolarHBondContact O-CB 3.38Å; Q1698-I1702 WeakPolarHBondContact O-CD1 3.25Å; Q1698-I1702 WeakPolarHBondContact O-CG1 3.47Å; Q1698-I1702 PolarHBondContact O-N 3.21Å; I1699-I1702 PolarHBondContact O-N 3.19Å; I1702-Q1705 PolarHBondContact O-N 2.77Å; I1702-N1706 WeakPolarHBondContact O-CB 3.48Å; I1702-N1706 PolarHBondContact O-N 3.49Å; I1702-N1706 PolarHBondContact O-ND2 3.43Å
1703C78.3Confident75.5Confident1 Ų150.6 Ų50.61%0.00725%0.254CS..Hα-helixtrans-64.2-41.7175.3-69.90000111.5I1699 V1700 Q1701 I1707 L1713 L1790I1699-C1703 WeakPolarHBondContact O-CB 3.36Å; I1699-C1703 PolarHBondContact O-N 3.02Å; I1699-C1703 PolarHBondContact O-SG 2.99Å; V1700-C1703 PolarHBondContact O-N 3.49Å; Q1701-C1703 PolarHBondContact O-N 3.29Å; C1703-I1707 HydrophobicContact CB-CD1 4.15Å; C1703-I1707 WeakPolarHBondContact O-CA 3.44Å; C1703-I1707 VanDerWaalsContact O-CB 3.25Å; C1703-I1707 WeakPolarHBondContact O-CB 3.3Å; C1703-I1707 PolarHBondContact O-N 3.36Å; C1703-L1713 HydrophobicContact CB-CD2 3.99Å; C1703-L1790 HydrophobicContact CB-CD2 4.5Å
1704N79.3Confident76.4Confident70 Ų7047.2 Ų47.237%0.37424%0.237SC..Hα-helixtrans-67-37.3177.1-167.727.7000112V1700 Q1701 I1793 R1797V1700-N1704 WeakPolarHBondContact O-CB 3.25Å; V1700-N1704 PolarHBondContact O-N 3.48Å; Q1701-N1704 PolarHBondContact O-N 3.42Å; N1704-I1793 HydrophobicContact CB-CD1 4.43Å; N1704-I1793 WeakPolarHBondContact OD1-CG2 3.46Å; N1704-R1797 PolarHBondContact O-NH2 3.37Å; N1704-R1797 PolarHBondContact OD1-NE 3.45Å; N1704-R1797 PolarHBondContact OD1-NH2 3.33Å
1705Q73.5Confident77Confident120 Ų12041.7 Ų41.756%0.56122%0.216SC*.Hα-helixtrans-72.7-43.5177.8-73.1172.2-0.500112.9Q1701 I1702 H1708Q1701-Q1705 WeakPolarHBondContact O-CB 3.36Å; Q1701-Q1705 WeakPolarHBondContact O-CG 3.3Å; Q1701-Q1705 PolarHBondContact O-N 2.97Å; I1702-Q1705 PolarHBondContact O-N 2.77Å; Q1705-H1708 PolarHBondContact O-CE1 3.21Å
1706N66.9Low77.7Confident15 Ų1538.5 Ų38.58%0.0820%0.204CC..Hα-helixtrans-105.1-15.1-166.1-57.8-89.3000114.5I1702I1702-N1706 WeakPolarHBondContact O-CB 3.48Å; I1702-N1706 PolarHBondContact O-N 3.49Å; I1702-N1706 PolarHBondContact O-ND2 3.43Å
1707I73.7Confident78.1Confident3 Ų338.4 Ų38.42%0.01520%0.204CC..  trans-107.1106.1176.2-51179.5000108.9M1369 A1682 C1703 L1713 I1716 R1797M1369-I1707 HydrophobicContact CE-CD1 3.92Å; M1369-I1707 HydrophobicContact CE-CG1 3.88Å; A1682-I1707 HydrophobicContact CB-CD1 4.21Å; C1703-I1707 HydrophobicContact CB-CD1 4.15Å; C1703-I1707 WeakPolarHBondContact O-CA 3.44Å; C1703-I1707 VanDerWaalsContact O-CB 3.25Å; C1703-I1707 WeakPolarHBondContact O-CB 3.3Å; C1703-I1707 PolarHBondContact O-N 3.36Å; I1707-L1713 HydrophobicContact CB-CD2 4.1Å; I1707-L1713 HydrophobicContact CB-CG 4.37Å; I1707-L1713 HydrophobicContact CD1-CD2 4.27Å; I1707-L1713 HydrophobicContact CG2-CD2 4.25Å; I1707-L1713 HydrophobicContact CG2-CG 4.13Å; I1707-I1716 HydrophobicContact CD1-CD1 3.29Å; I1707-R1797 PolarHBondContact O-NH1 3.45Å; I1707-R1797 PolarHBondContact O-NH2 2.96Å
1708H72.4Confident78.6Confident135 Ų13537.4 Ų37.463%0.62520%0.196SC*.  trans-85.2-19.4-177.3-54.4-62.5000114.2Q1705 R1797Q1705-H1708 PolarHBondContact O-CE1 3.21Å; H1708-R1797 VanDerWaalsContact C-NH1 3.29Å; H1708-R1797 PolarHBondContact O-NH1 2.92Å; H1708-R1797 VanDerWaalsContact O-NH1 3.07Å
1709S79Confident78.9Confident38 Ų3835.7 Ų35.727%0.26619%0.188SC..  trans-81.6120.1-178.1169.30000113V1711 S1712 L1713S1709-V1711 VanDerWaalsContact C-N 3.3Å; S1709-V1711 PolarHBondContact O-N 2.66Å; S1709-V1711 PolarHBondContact OG-N 3.17Å; S1709-S1712 VanDerWaalsContact CB-OG 3.29Å; S1709-S1712 WeakPolarHBondContact CB-OG 3.19Å; S1709-S1712 WeakPolarHBondContact O-CB 3.43Å; S1709-S1712 PolarHBondContact O-N 3.41Å; S1709-S1712 VanDerWaalsContact O-N 3.15Å; S1709-S1712 PolarHBondContact OG-N 3.2Å; S1709-S1712 PolarHBondContact OG-OG 3.01Å; S1709-S1712 VanDerWaalsContact OG-OG 3.07Å; S1709-L1713 PolarHBondContact O-N 2.97Å
1710A78.8Confident79.2Confident14 Ų1435.7 Ų35.712%0.11619%0.188CC..Hα-helixtrans-62-33.7174.400000113S1712 L1713 L1714 V1794 R1797 T1798 M1810A1710-S1712 VanDerWaalsContact C-N 3.33Å; A1710-L1713 PolarHBondContact O-N 2.98Å; A1710-L1714 WeakPolarHBondContact O-CB 3.31Å; A1710-L1714 PolarHBondContact O-N 3.04Å; A1710-V1794 HydrophobicContact CB-CG1 4.44Å; A1710-R1797 HydrophobicContact CB-CB 4.33Å; A1710-T1798 HydrophobicContact CB-CG2 4.18Å; A1710-M1810 HydrophobicContact CB-CE 4.25Å
1711V79.3Confident79.3Confident54 Ų5436 Ų3633%0.32719%0.188SC..Hα-helixtrans-68.6-34.8175.4-178.60000111.1S1709 L1714 A1715 M1810S1709-V1711 VanDerWaalsContact C-N 3.3Å; S1709-V1711 PolarHBondContact O-N 2.66Å; S1709-V1711 PolarHBondContact OG-N 3.17Å; V1711-L1714 PolarHBondContact O-N 3.45Å; V1711-A1715 PolarHBondContact O-N 3.49Å; V1711-A1715 VanDerWaalsContact O-N 3.08Å; V1711-M1810 HydrophobicContact CG2-CE 3.88Å
1712S81.2Confident79.2Confident18 Ų1832.1 Ų32.113%0.12617%0.172CC..Hα-helixtrans-70.5-40.4176.9-61.10000111.8S1709 A1710 A1715 I1716S1709-S1712 VanDerWaalsContact CB-OG 3.29Å; S1709-S1712 WeakPolarHBondContact CB-OG 3.19Å; S1709-S1712 WeakPolarHBondContact O-CB 3.43Å; S1709-S1712 PolarHBondContact O-N 3.41Å; S1709-S1712 VanDerWaalsContact O-N 3.15Å; S1709-S1712 PolarHBondContact OG-N 3.2Å; S1709-S1712 PolarHBondContact OG-OG 3.01Å; S1709-S1712 VanDerWaalsContact OG-OG 3.07Å; A1710-S1712 VanDerWaalsContact C-N 3.33Å; S1712-A1715 PolarHBondContact O-N 3.41Å; S1712-I1716 WeakPolarHBondContact O-CG1 3.41Å; S1712-I1716 PolarHBondContact O-N 3.13Å
1713L84.5Confident79.1Confident0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-66.6-37.2173.1-72.9174.5000112.5C1703 I1707 S1709 A1710 A1715 I1716 S1717 L1790 I1793 V1794 R1797C1703-L1713 HydrophobicContact CB-CD2 3.99Å; I1707-L1713 HydrophobicContact CB-CD2 4.1Å; I1707-L1713 HydrophobicContact CB-CG 4.37Å; I1707-L1713 HydrophobicContact CD1-CD2 4.27Å; I1707-L1713 HydrophobicContact CG2-CD2 4.25Å; I1707-L1713 HydrophobicContact CG2-CG 4.13Å; S1709-L1713 PolarHBondContact O-N 2.97Å; A1710-L1713 PolarHBondContact O-N 2.98Å; L1713-A1715 PolarHBondContact O-N 3.45Å; L1713-I1716 HydrophobicContact CD2-CD1 4.43Å; L1713-I1716 PolarHBondContact O-N 3.38Å; L1713-S1717 PolarHBondContact O-N 2.93Å; L1713-L1790 HydrophobicContact CD2-CD2 4.29Å; L1713-I1793 HydrophobicContact CD1-CG2 3.94Å; L1713-V1794 HydrophobicContact CB-CG2 3.52Å; L1713-R1797 VanDerWaalsContact CD1-CZ 3.43Å
1714L84.6Confident78.8Confident14 Ų1434.1 Ų34.17%0.07318%0.182CC..Hα-helixtrans-60.1-45.3173.2-17769000111.2A1710 V1711 I1716 S1717 Q1718 V1794 M1810 W1813A1710-L1714 WeakPolarHBondContact O-CB 3.31Å; A1710-L1714 PolarHBondContact O-N 3.04Å; V1711-L1714 PolarHBondContact O-N 3.45Å; L1714-I1716 VanDerWaalsContact C-N 3.28Å; L1714-I1716 PolarHBondContact O-N 2.92Å; L1714-S1717 PolarHBondContact O-N 3.38Å; L1714-Q1718 WeakPolarHBondContact O-CB 3.5Å; L1714-Q1718 WeakPolarHBondContact O-CG 3.41Å; L1714-Q1718 PolarHBondContact O-N 3.48Å; L1714-V1794 HydrophobicContact CB-CG1 4.28Å; L1714-V1794 HydrophobicContact CB-CG2 4.28Å; L1714-V1794 HydrophobicContact CD1-CG1 4.47Å; L1714-M1810 HydrophobicContact CB-CE 4.41Å; L1714-M1810 HydrophobicContact CD1-CG 4.38Å; L1714-M1810 HydrophobicContact CD2-CE 4.03Å; L1714-M1810 HydrophobicContact CD2-CG 3.9Å; L1714-W1813 HydrophobicContact CD1-CB 4.06Å; L1714-W1813 VanDerWaalsContact CD1-CD1 3.48Å; L1714-W1813 HydrophobicContact CD1-CG 3.77Å
1715A82.4Confident78.2Confident30 Ų3032.2 Ų32.225%0.24817%0.173CC..Hα-helixtrans-64.3-29.8178.300000113.3V1711 S1712 L1713 Q1719V1711-A1715 PolarHBondContact O-N 3.49Å; V1711-A1715 VanDerWaalsContact O-N 3.08Å; S1712-A1715 PolarHBondContact O-N 3.41Å; L1713-A1715 PolarHBondContact O-N 3.45Å; A1715-Q1719 WeakPolarHBondContact O-CG 3.42Å; A1715-Q1719 PolarHBondContact O-N 3.4Å; A1715-Q1719 PolarHBondContact O-NE2 3.23Å; A1715-Q1719 VanDerWaalsContact O-NE2 3.13Å
1716I84.9Confident77.2Confident0 Ų028.6 Ų28.60%017%0.167CC..Hα-helixtrans-71.9-51.3171.8-64.4164.6000109.8T1679 A1682 V1683 I1686 I1707 S1712 L1713 L1714 Q1718 Q1719 V1720 L1790T1679-I1716 HydrophobicContact CG2-CD1 4.04Å; T1679-I1716 HydrophobicContact CG2-CG1 4.06Å; A1682-I1716 HydrophobicContact CB-CD1 3.8Å; A1682-I1716 HydrophobicContact CB-CG1 4.46Å; V1683-I1716 HydrophobicContact CG2-CB 4.27Å; V1683-I1716 HydrophobicContact CG2-CG1 4.12Å; V1683-I1716 HydrophobicContact CG2-CG2 4Å; I1686-I1716 HydrophobicContact CD1-CG2 4.01Å; I1707-I1716 HydrophobicContact CD1-CD1 3.29Å; S1712-I1716 WeakPolarHBondContact O-CG1 3.41Å; S1712-I1716 PolarHBondContact O-N 3.13Å; L1713-I1716 HydrophobicContact CD2-CD1 4.43Å; L1713-I1716 PolarHBondContact O-N 3.38Å; L1714-I1716 VanDerWaalsContact C-N 3.28Å; L1714-I1716 PolarHBondContact O-N 2.92Å; I1716-Q1718 VanDerWaalsContact C-N 3.27Å; I1716-Q1718 PolarHBondContact O-N 3.11Å; I1716-Q1719 PolarHBondContact O-N 3.44Å; I1716-Q1719 VanDerWaalsContact O-N 3.08Å; I1716-V1720 HydrophobicContact CG2-CG2 4.08Å; I1716-V1720 VanDerWaalsContact O-CG2 3.3Å; I1716-V1720 WeakPolarHBondContact O-CG2 3.4Å; I1716-V1720 PolarHBondContact O-N 2.98Å; I1716-L1790 HydrophobicContact CG2-CD1 3.93Å
1717S86.6Confident75.9Confident0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-52.4-44.9176.9177.30000111.7L1713 L1714 F1721 A1787 W1813L1713-S1717 PolarHBondContact O-N 2.93Å; L1714-S1717 PolarHBondContact O-N 3.38Å; S1717-F1721 WeakPolarHBondContact O-CB 3.18Å; S1717-F1721 PolarHBondContact O-N 3.47Å; S1717-A1787 PolarHBondContact OG-O 3.17Å; S1717-W1813 PolarHBondContact OG-NE1 2.94Å
1718Q84.2Confident74Confident62 Ų6244.3 Ų44.329%0.2923%0.231SC..Hα-helixtrans-63.2-41.9176.2-73.7175.3-19.300113.9L1714 I1716 A1722 W1813L1714-Q1718 WeakPolarHBondContact O-CB 3.5Å; L1714-Q1718 WeakPolarHBondContact O-CG 3.41Å; L1714-Q1718 PolarHBondContact O-N 3.48Å; I1716-Q1718 VanDerWaalsContact C-N 3.27Å; I1716-Q1718 PolarHBondContact O-N 3.11Å; Q1718-A1722 WeakPolarHBondContact O-CB 3.35Å; Q1718-A1722 PolarHBondContact O-N 3.4Å; Q1718-W1813 HydrophobicContact CB-CH2 4.42Å; Q1718-W1813 HydrophobicContact CB-CZ2 4.16Å; Q1718-W1813 HydrophobicContact CG-CD2 3.96Å; Q1718-W1813 HydrophobicContact CG-CE3 4.21Å; Q1718-W1813 HydrophobicContact CG-CH2 3.89Å; Q1718-W1813 HydrophobicContact CG-CZ2 3.62Å; Q1718-W1813 HydrophobicContact CG-CZ3 4.18Å
1719Q80.2Confident71.9Confident57 Ų5741.5 Ų41.527%0.26622%0.22SC..Hα-helixtrans-72.7-37179.4-7717466.600112.9V1683 A1715 I1716 E1723V1683-Q1719 HydrophobicContact CG1-CB 4.15Å; V1683-Q1719 HydrophobicContact CG2-CB 3.85Å; A1715-Q1719 WeakPolarHBondContact O-CG 3.42Å; A1715-Q1719 PolarHBondContact O-N 3.4Å; A1715-Q1719 PolarHBondContact O-NE2 3.23Å; A1715-Q1719 VanDerWaalsContact O-NE2 3.13Å; I1716-Q1719 PolarHBondContact O-N 3.44Å; I1716-Q1719 VanDerWaalsContact O-N 3.08Å; Q1719-E1723 WeakPolarHBondContact O-CB 3.36Å; Q1719-E1723 PolarHBondContact O-N 3.39Å
1720V81.6Confident69.3Low2 Ų251.2 Ų51.21%0.01225%0.251CS..Hα-helixtrans-65.8-42.7174.21740000110.6I1686 I1716 E1723 A1724 L1783 T1786 A1787I1686-V1720 HydrophobicContact CB-CG2 4.27Å; I1686-V1720 HydrophobicContact CD1-CG2 3.59Å; I1686-V1720 HydrophobicContact CG2-CG1 4.05Å; I1686-V1720 HydrophobicContact CG2-CG2 3.84Å; I1716-V1720 HydrophobicContact CG2-CG2 4.08Å; I1716-V1720 VanDerWaalsContact O-CG2 3.3Å; I1716-V1720 WeakPolarHBondContact O-CG2 3.4Å; I1716-V1720 PolarHBondContact O-N 2.98Å; V1720-E1723 PolarHBondContact O-N 3.01Å; V1720-A1724 PolarHBondContact O-N 3.4Å; V1720-L1783 HydrophobicContact CG1-CB 4.33Å; V1720-L1783 HydrophobicContact CG1-CD2 4.05Å; V1720-T1786 HydrophobicContact CG1-CG2 4.41Å; V1720-A1787 HydrophobicContact CG1-CB 4.29Å
1721F82.1Confident66.7Low19 Ų1954.2 Ų54.28%0.08327%0.271CS..Hα-helixtrans-65-49.7178.4-177.9-91.7000113S1717 E1723 A1724 V1725 A1787 W1813 T1817 H1820S1717-F1721 WeakPolarHBondContact O-CB 3.18Å; S1717-F1721 PolarHBondContact O-N 3.47Å; F1721-E1723 PolarHBondContact O-N 2.87Å; F1721-E1723 VanDerWaalsContact O-N 3.17Å; F1721-A1724 WeakPolarHBondContact O-CB 3.41Å; F1721-A1724 PolarHBondContact O-N 2.69Å; F1721-V1725 HydrophobicContact CD1-CG2 4.14Å; F1721-V1725 HydrophobicContact CE1-CG2 3.73Å; F1721-V1725 HydrophobicContact CE2-CG2 4.25Å; F1721-V1725 HydrophobicContact CZ-CG2 3.79Å; F1721-V1725 WeakPolarHBondContact O-CG2 3.38Å; F1721-V1725 PolarHBondContact O-N 3.02Å; F1721-A1787 HydrophobicContact CB-CB 3.86Å; F1721-A1787 HydrophobicContact CD2-CB 4.3Å; F1721-W1813 HydrophobicContact CB-CH2 4.03Å; F1721-W1813 HydrophobicContact CB-CZ2 3.7Å; F1721-W1813 AromaticContact CD1-CH2 3.5Å; F1721-W1813 HydrophobicContact CD1-CH2 3.5Å; F1721-W1813 VanDerWaalsContact CD1-CH2 3.5Å; F1721-W1813 HydrophobicContact CD1-CZ2 4.01Å; F1721-W1813 HydrophobicContact CD2-CZ2 4.48Å; F1721-W1813 HydrophobicContact CE1-CH2 4.06Å; F1721-W1813 AromaticContact CG-CH2 3.81Å; F1721-W1813 HydrophobicContact CG-CH2 3.81Å; F1721-W1813 AromaticContact CG-CZ2 3.82Å; F1721-W1813 HydrophobicContact CG-CZ2 3.82Å; F1721-T1817 HydrophobicContact CD2-CG2 3.77Å; F1721-T1817 HydrophobicContact CE2-CG2 4.06Å; F1721-T1817 HydrophobicContact CG-CG2 4.42Å; F1721-H1820 HydrophobicContact CE2-CB 4.07Å; F1721-H1820 AromaticContact CE2-CD2 3.91Å; F1721-H1820 AromaticContact CE2-CG 3.68Å; F1721-H1820 AromaticContact CE2-ND1 3.88Å; F1721-H1820 AromaticContact CZ-CD2 3.64Å; F1721-H1820 AromaticContact CZ-CE1 3.57Å; F1721-H1820 AromaticContact CZ-CG 3.73Å; F1721-H1820 AromaticContact CZ-ND1 3.68Å; F1721-H1820 AromaticContact CZ-NE2 3.51Å
1722A77Confident64.1Low11 Ų1157.5 Ų57.59%0.09129%0.294CS..Hα-helixtrans-56.2-35.8179.300000112.1Q1718 W1727Q1718-A1722 WeakPolarHBondContact O-CB 3.35Å; Q1718-A1722 PolarHBondContact O-N 3.4Å; A1722-W1727 PolarHBondContact O-N 3.14Å; A1722-W1727 VanDerWaalsContact O-N 3.12Å
1723E71.5Confident61.5Low53 Ų5361.6 Ų61.625%0.24832%0.317CS..Hα-helixtrans-73.5-35.4175.8-179.2159.4-167.700113.6R1687 K1690 Q1719 V1720 F1721 G1726R1687-E1723 WeakPolarHBondContact CG-OE1 3.4Å; R1687-E1723 WeakPolarHBondContact CG-OE2 3.37Å; R1687-E1723 IonicContact CZ-OE2 3.14Å; R1687-E1723 VanDerWaalsContact NE-CD 3.35Å; R1687-E1723 IonicContact NE-OE1 3.53Å; R1687-E1723 PolarHBondContact NE-OE1 2.94Å; R1687-E1723 IonicContact NE-OE2 2.85Å; R1687-E1723 PolarHBondContact NE-OE2 3.01Å; R1687-E1723 IonicContact NH2-OE2 2.68Å; R1687-E1723 PolarHBondContact NH2-OE2 3.1Å; K1690-E1723 VanDerWaalsContact CE-OE1 3.27Å; K1690-E1723 WeakPolarHBondContact CE-OE1 3.32Å; K1690-E1723 IonicContact NZ-OE1 3.54Å; K1690-E1723 PolarHBondContact NZ-OE1 3.32Å; Q1719-E1723 WeakPolarHBondContact O-CB 3.36Å; Q1719-E1723 PolarHBondContact O-N 3.39Å; V1720-E1723 PolarHBondContact O-N 3.01Å; F1721-E1723 PolarHBondContact O-N 2.87Å; F1721-E1723 VanDerWaalsContact O-N 3.17Å; E1723-G1726 PolarHBondContact O-N 3.09Å; E1723-G1726 VanDerWaalsContact O-N 3.14Å
1724A72.1Confident58.7Low2 Ų267.6 Ų67.62%0.01735%0.35CS..Hα-helixtrans-67.1-38.1176.800000112.9V1720 F1721 G1726 R1780 L1783 I1784V1720-A1724 PolarHBondContact O-N 3.4Å; F1721-A1724 WeakPolarHBondContact O-CB 3.41Å; F1721-A1724 PolarHBondContact O-N 2.69Å; A1724-G1726 PolarHBondContact O-N 3.49Å; A1724-R1780 WeakPolarHBondContact O-CD 3.24Å; A1724-R1780 WeakPolarHBondContact O-CG 3.25Å; A1724-L1783 HydrophobicContact CB-CB 3.48Å; A1724-L1783 VanDerWaalsContact CB-CB 3.48Å; A1724-L1783 HydrophobicContact CB-CD1 4.42Å; A1724-I1784 HydrophobicContact CB-CG1 3.68Å
1725V66.4Low55.8Low30 Ų3078.6 Ų78.618%0.18239%0.39CS..THydrogen-bonded Turntrans-73-4.5174.4-171.50000111.5F1721 W1727 L1963F1721-V1725 HydrophobicContact CD1-CG2 4.14Å; F1721-V1725 HydrophobicContact CE1-CG2 3.73Å; F1721-V1725 HydrophobicContact CE2-CG2 4.25Å; F1721-V1725 HydrophobicContact CZ-CG2 3.79Å; F1721-V1725 WeakPolarHBondContact O-CG2 3.38Å; F1721-V1725 PolarHBondContact O-N 3.02Å; V1725-W1727 VanDerWaalsContact C-N 3.28Å; V1725-W1727 PolarHBondContact O-N 3.34Å; V1725-L1963 HydrophobicContact CG1-CD2 4.01Å
1726G51.4Low53Low43 Ų4384 Ų8444%0.44341%0.408SS..THydrogen-bonded Turntrans78.68.3177.800000114.2E1723 A1724 K1728E1723-G1726 PolarHBondContact O-N 3.09Å; E1723-G1726 VanDerWaalsContact O-N 3.14Å; A1724-G1726 PolarHBondContact O-N 3.49Å; G1726-K1728 PolarHBondContact O-N 2.9Å; G1726-K1728 VanDerWaalsContact O-N 3.16Å
1727W40.8Very low50Low138 Ų13889.6 Ų89.652%0.52345%0.445SS..  trans-72.6109.5177.6-77.841.9000109.1A1722 V1725 L1729 L1962A1722-W1727 PolarHBondContact O-N 3.14Å; A1722-W1727 VanDerWaalsContact O-N 3.12Å; V1725-W1727 VanDerWaalsContact C-N 3.28Å; V1725-W1727 PolarHBondContact O-N 3.34Å; W1727-L1729 PolarHBondContact O-N 3.29Å; W1727-L1962 HydrophobicContact CH2-CB 4.1Å; W1727-L1962 HydrophobicContact CH2-CD1 4.05Å; W1727-L1962 HydrophobicContact CH2-CD2 4.2Å; W1727-L1962 HydrophobicContact CH2-CG 4.35Å; W1727-L1962 HydrophobicContact CZ2-CB 4.17Å
1728K32.3Very low47.1Very low210 Ų21094.8 Ų94.891%0.91347%0.472SS*.  trans-65.283.6171.6-87.4-177.6175.8171.90110G1726 R1730G1726-K1728 PolarHBondContact O-N 2.9Å; G1726-K1728 VanDerWaalsContact O-N 3.16Å; K1728-R1730 PolarHBondContact O-N 2.85Å
1729L29.2Very low44.3Very low76 Ų7699.2 Ų99.240%0.39850%0.498SS..  trans-56.3102.8169.2-173.475.3000108.3W1727 S1731 Y1940W1727-L1729 PolarHBondContact O-N 3.29Å; L1729-S1731 PolarHBondContact O-N 3.14Å; L1729-Y1940 HydrophobicContact CD1-CD1 4.38Å; L1729-Y1940 HydrophobicContact CD1-CD2 3.55Å; L1729-Y1940 HydrophobicContact CD1-CE2 4.03Å; L1729-Y1940 HydrophobicContact CD1-CG 3.76Å
1730R24.2Very low41.6Very low243 Ų243102 Ų10292%0.91752%0.519SS*.  trans-62.1110.4-177-153.6-179.5-155.6-165.47.7107.9K1728K1728-R1730 PolarHBondContact O-N 2.85Å
1731S24.2Very low39Very low76 Ų76108 Ų10853%0.53155%0.551SS.*  trans-51.2132.8-170.5178.50000111.7L1729 V1733L1729-S1731 PolarHBondContact O-N 3.14Å; S1731-V1733 PolarHBondContact O-N 3.49Å; S1731-V1733 PolarHBondContact OG-N 3.23Å
1732P24.1Very low36.2Very low124 Ų124113.6 Ų113.681%0.80558%0.581SS**SBendtrans-7338.8170.133-35.7000112.2
1733V26.2Very low33.7Very low103 Ų103118.8 Ų118.862%0.62461%0.607SS**SBendtrans-13449.2170.4-164.80000109S1731S1731-V1733 PolarHBondContact O-N 3.49Å; S1731-V1733 PolarHBondContact OG-N 3.23Å
1734N27Very low31.4Very low127 Ų127124.1 Ų124.168%0.67963%0.631SS**  trans-171.175.8143.2-98.5-37.4000111.6K1736N1734-K1736 PolarHBondContact O-N 2.91Å
1735R23.7Very low29Very low245 Ų245129.2 Ų129.293%0.92567%0.667SS**  trans-80.976.1132.6-79.5-168.4-179.6-1751107.6
1736K23.1Very low26.9Very low142 Ų142131.6 Ų131.662%0.61769%0.69SS**  trans-58.9135.6139.2-83.9-173.1175.7-175.80105.6N1734 N1738N1734-K1736 PolarHBondContact O-N 2.91Å; K1736-N1738 VanDerWaalsContact C-N 3.28Å; K1736-N1738 VanDerWaalsContact CB-OD1 3.32Å; K1736-N1738 WeakPolarHBondContact CB-OD1 3.4Å; K1736-N1738 PolarHBondContact O-N 3.39Å
1737P23Very low25.6Very low119 Ų119140.2 Ų140.277%0.77371%0.711SS**  trans-68.695.3162.629.2-30.4000106.8N1739P1737-N1739 PolarHBondContact O-N 3.48Å; P1737-N1739 VanDerWaalsContact O-O 3.11Å
1738N24.7Very low24.8Very low109 Ų109137.9 Ų137.958%0.58372%0.715SS**  trans-76.567.4175.4-90.939.7000110.6K1736K1736-N1738 VanDerWaalsContact C-N 3.28Å; K1736-N1738 VanDerWaalsContact CB-OD1 3.32Å; K1736-N1738 WeakPolarHBondContact CB-OD1 3.4Å; K1736-N1738 PolarHBondContact O-N 3.39Å
1739N24.8Very low24.3Very low154 Ų154135.8 Ų135.882%0.82471%0.709SS**  -98.5114.4121.2-69.6-9.1000104.2P1737P1737-N1739 PolarHBondContact O-N 3.48Å; P1737-N1739 VanDerWaalsContact O-O 3.11Å
1740T25Very low24Very low115 Ų115138.9 Ų138.971%0.70674%0.735SS**SBendcis-133.3175.922.856.30000113.7
1741N26.4Very low23.9Very low130 Ų130130.1 Ų130.170%0.69572%0.72SS**  trans-51.2143.6158-69.1-18.3000110.5
1742L24.1Very low23.9Very low135 Ų135132.7 Ų132.771%0.70774%0.737SS**  64.1132.260.3-62.3173.4000111.8
1743L23.6Very low23.8Very low120 Ų120134.2 Ų134.263%0.62874%0.738SS**  cis-169.3147.1-10.3-174.670.6000108.5
1744E22.6Very low23.8Very low165 Ų165136 Ų13677%0.77174%0.743SS**  trans60.4176.6159.6-82.7157-16500116.4
1745S23Very low23.6Very low109 Ų109136.3 Ų136.376%0.76274%0.744SS**  cis-153.5-172.61.4-141.70000113.6
1746A22.6Very low23.5Very low80 Ų80128.3 Ų128.366%0.66173%0.726SS**  trans73.5143.7170.900000117
1747Y24.1Very low23.6Very low225 Ų225128.9 Ų128.988%0.88274%0.736SS**  cis-97.7154.42.4-64.5-105.7000110.7
1748S22.8Very low24Very low88 Ų88128.7 Ų128.762%0.61574%0.735SS**  cis63.1148.238.9-101.20000113.8
1749E22.9Very low24.1Very low167 Ų167129.2 Ų129.278%0.7874%0.744SS**  cis-154.8150.4-0.1-154.5147.2-85.500110.9
1750C22.2Very low24.2Very low140 Ų140127.3 Ų127.395%0.94674%0.74SS**  trans178.4115.7148.8-112.80000110.2
1751G22.4Very low24.1Very low59 Ų59125.2 Ų125.261%0.60874%0.742SS**  cis156.271.5-7.100000113.5
1752C23.5Very low24.1Very low131 Ų131127.9 Ų127.989%0.88576%0.755SS**  trans-136.379.3176.3-630000112.5
1753L22.3Very low24.1Very low156 Ų156128.4 Ų128.482%0.81776%0.757SS**  trans-17.1151.1148.3-59175.3000115.6
1754L25.3Very low24Very low140 Ų140129.8 Ų129.873%0.73376%0.764SS**  cis-169.7174.811.2-111.4166.6000107.2
1755N23.7Very low24.2Very low133 Ų133127.7 Ų127.771%0.71177%0.765SS**  cis-157.9167.12.1-163.810.8000112.3
1756S22.2Very low24.2Very low77 Ų77128.7 Ų128.754%0.53877%0.766SS.*  trans51.9122.6142.1620000124.9
1757N24.2Very low24.3Very low155 Ų155129.7 Ų129.783%0.82977%0.774SS**  trans85.7139.8140.5-64.5-9.7000122.5
1758P31.3Very low24.3Very low115 Ų115125.2 Ų125.275%0.74777%0.771SS**  trans-96.5-172.5174.643.6-39.2000111.8
1759P27.7Very low24.4Very low119 Ų119128.1 Ų128.177%0.77378%0.779SS**  cis-126.6-128.70.942.5-22.3000110.4
1760P27.5Very low24.5Very low114 Ų114126.3 Ų126.374%0.7478%0.782SS**  cis-119.1165.9-49.737.2-24000113.7
1761G22.6Very low24.6Very low72 Ų72125 Ų12574%0.74277%0.77SS**  trans68.6110.5149.600000119.3
1762L25.1Very low24.9Very low186 Ų186129.8 Ų129.897%0.97478%0.78SS**  trans-96.9107.9166.9-91.1172.4000112.4
1763I24.6Very low25.1Very low146 Ų146131.8 Ų131.875%0.74978%0.776SS**  trans-64.9147169.1-71.9165.3000110.3P1765I1763-P1765 WeakPolarHBondContact O-CD 3.43Å
1764L22.3Very low25.4Very low149 Ų149128.3 Ų128.378%0.7877%0.765SS**  trans-61.6116.2168.3-17975.9000109.7T1766L1764-T1766 PolarHBondContact O-N 3.28Å
1765P26.6Very low25.6Very low121 Ų121130.2 Ų130.279%0.78677%0.768SS**  trans-72.4102.3-175.928.2-33.9000111.4I1763I1763-P1765 WeakPolarHBondContact O-CD 3.43Å
1766T22.7Very low26.3Very low129 Ų129133.5 Ų133.579%0.79177%0.771SS**  trans-63.1141.2161.542.10000110.2L1764L1764-T1766 PolarHBondContact O-N 3.28Å
1767A24.7Very low28Very low101 Ų101133.5 Ų133.584%0.83577%0.769SS**  trans-81126.2-161.700000115.2
1768T24.1Very low29.7Very low131 Ų131133.6 Ų133.680%0.80476%0.757SS**  trans-152.178.3154.951.50000112
1769N24.2Very low31.3Very low149 Ų149131 Ų13180%0.79774%0.737SS**  trans-173103.6152.9-108-33.3000112.5T1771N1769-T1771 PolarHBondContact O-N 2.79Å
1770P26.3Very low33.4Very low129 Ų129131.2 Ų131.284%0.83872%0.723SS**THydrogen-bonded Turntrans-93.760-168.737.7-37000114.4
1771T23.8Very low35.5Very low113 Ų113130.3 Ų130.369%0.69371%0.711SS**THydrogen-bonded Turntrans-141.5-20.9179.642.50000118N1769N1769-T1771 PolarHBondContact O-N 2.79Å
1772I28.2Very low38.1Very low159 Ų159129.2 Ų129.282%0.81569%0.685SS**SBendtrans-130.252.6-168.4-38.1-177.2000113.6
1773E26.9Very low40.8Very low174 Ų174120.7 Ų120.781%0.81364%0.641SS**  trans-136.31.4175.7-137.3178.1-160.300115F1775E1773-F1775 PolarHBondContact O-N 3.41Å
1774S28.5Very low43.5Very low83 Ų83114.8 Ų114.858%0.5861%0.61SS**THydrogen-bonded Turntrans-77.6-12.4-166.553.50000116.6
1775F29.7Very low46.4Very low179 Ų179109.1 Ų109.179%0.78558%0.583SS**THydrogen-bonded Turntrans-97.1-19.3-170.8-81.7-85.7000116E1773E1773-F1775 PolarHBondContact O-N 3.41Å
1776Y39.8Very low49.2Very low202 Ų202104 Ų10479%0.79255%0.55SS*.SBendtrans-94.7-4.5-175-93.4-74.1000115.7
1777T58.2Low52.2Low78 Ų7897.8 Ų97.848%0.47951%0.512SS..SBendtrans-91.2-38.3-177.553.30000113.2D1779 R1780 I1781T1777-D1779 PolarHBondContact O-N 3.09Å; T1777-R1780 PolarHBondContact O-N 3.05Å; T1777-I1781 PolarHBondContact O-N 3.4Å
1778R59.8Low55.3Low157 Ų15793.6 Ų93.659%0.59248%0.475SS*.Hα-helixtrans-62.3-46.4-167.8-155.1178.3-173.51631.6113.6R1780 I1781 F1782R1778-R1780 VanDerWaalsContact C-N 3.3Å; R1778-R1780 PolarHBondContact O-N 2.84Å; R1778-I1781 PolarHBondContact O-N 2.83Å; R1778-F1782 HydrophobicContact CG-CD2 4.38Å; R1778-F1782 HydrophobicContact CG-CE2 3.7Å; R1778-F1782 HydrophobicContact CG-CZ 3.79Å; R1778-F1782 WeakPolarHBondContact O-CD2 3.44Å; R1778-F1782 WeakPolarHBondContact O-CG 3.22Å; R1778-F1782 PolarHBondContact O-N 2.84Å
1779D63.4Low58.3Low61 Ų6192.3 Ų92.333%0.32646%0.459SS..Hα-helixtrans-62.5-34.7178.4-77.218.9000112.6T1777 F1782 L1783T1777-D1779 PolarHBondContact O-N 3.09Å; D1779-F1782 PolarHBondContact O-N 3.49Å; D1779-L1783 WeakPolarHBondContact O-CG 3.32Å; D1779-L1783 PolarHBondContact O-N 2.93Å
1780R71.5Confident61.3Low123 Ų12385.2 Ų85.246%0.46442%0.422SS..Hα-helixtrans-66.7-44.8176.4-63.3-173-177.2-155.85.6111A1724 T1777 R1778 F1782 L1783 I1784A1724-R1780 WeakPolarHBondContact O-CD 3.24Å; A1724-R1780 WeakPolarHBondContact O-CG 3.25Å; T1777-R1780 PolarHBondContact O-N 3.05Å; R1778-R1780 VanDerWaalsContact C-N 3.3Å; R1778-R1780 PolarHBondContact O-N 2.84Å; R1780-F1782 VanDerWaalsContact C-N 3.33Å; R1780-F1782 PolarHBondContact O-N 2.97Å; R1780-L1783 PolarHBondContact O-N 3.2Å; R1780-I1784 WeakPolarHBondContact O-CG1 3.42Å; R1780-I1784 PolarHBondContact O-N 3.14Å
1781I73.4Confident64.2Low95 Ų9579.1 Ų79.149%0.48738%0.382SS..Hα-helixtrans-60.4-44.3176.9-63.5166.8000110.2T1777 R1778 L1783 I1784 S1785T1777-I1781 PolarHBondContact O-N 3.4Å; R1778-I1781 PolarHBondContact O-N 2.83Å; I1781-L1783 PolarHBondContact O-N 3.38Å; I1781-I1784 PolarHBondContact O-N 3.48Å; I1781-S1785 PolarHBondContact O-N 3.36Å; I1781-S1785 PolarHBondContact O-OG 3.23Å
1782F77Confident67.2Low48 Ų4874.3 Ų74.321%0.21135%0.352CS..Hα-helixtrans-61.4-40176.1-65.1-33.4000113I1693 L1696 R1778 D1779 R1780 T1786I1693-F1782 HydrophobicContact CD1-CD1 3.9Å; I1693-F1782 HydrophobicContact CD1-CE1 3.67Å; I1693-F1782 HydrophobicContact CD1-CZ 4.13Å; I1693-F1782 HydrophobicContact CG1-CD1 4.43Å; L1696-F1782 HydrophobicContact CD1-CB 4.24Å; R1778-F1782 HydrophobicContact CG-CD2 4.38Å; R1778-F1782 HydrophobicContact CG-CE2 3.7Å; R1778-F1782 HydrophobicContact CG-CZ 3.79Å; R1778-F1782 WeakPolarHBondContact O-CD2 3.44Å; R1778-F1782 WeakPolarHBondContact O-CG 3.22Å; R1778-F1782 PolarHBondContact O-N 2.84Å; D1779-F1782 PolarHBondContact O-N 3.49Å; R1780-F1782 VanDerWaalsContact C-N 3.33Å; R1780-F1782 PolarHBondContact O-N 2.97Å; F1782-T1786 VanDerWaalsContact O-CB 3.3Å; F1782-T1786 WeakPolarHBondContact O-CB 3.36Å; F1782-T1786 PolarHBondContact O-N 3.35Å; F1782-T1786 PolarHBondContact O-OG1 2.9Å
1783L80.6Confident70Confident8 Ų868.1 Ų68.14%0.04232%0.32CS..Hα-helixtrans-69.5-37.1175.5-69.3167.5000112.8I1686 K1690 V1720 A1724 D1779 R1780 I1781 T1786 A1787I1686-L1783 HydrophobicContact CG2-CD2 3.64Å; K1690-L1783 HydrophobicContact CD-CD1 4.09Å; K1690-L1783 HydrophobicContact CG-CD1 4.09Å; K1690-L1783 HydrophobicContact CG-CD2 4.31Å; V1720-L1783 HydrophobicContact CG1-CB 4.33Å; V1720-L1783 HydrophobicContact CG1-CD2 4.05Å; A1724-L1783 HydrophobicContact CB-CB 3.48Å; A1724-L1783 VanDerWaalsContact CB-CB 3.48Å; A1724-L1783 HydrophobicContact CB-CD1 4.42Å; D1779-L1783 WeakPolarHBondContact O-CG 3.32Å; D1779-L1783 PolarHBondContact O-N 2.93Å; R1780-L1783 PolarHBondContact O-N 3.2Å; I1781-L1783 PolarHBondContact O-N 3.38Å; L1783-T1786 WeakPolarHBondContact O-CB 3.5Å; L1783-T1786 PolarHBondContact O-N 2.86Å; L1783-A1787 PolarHBondContact O-N 3.17Å
1784I82Confident72.8Confident21 Ų2159.8 Ų59.811%0.10828%0.281CS..Hα-helixtrans-63.6-48.7174.2-69.3168.2000110.4A1724 R1780 I1781 T1786 A1787 F1788 H1820 V1821A1724-I1784 HydrophobicContact CB-CG1 3.68Å; R1780-I1784 WeakPolarHBondContact O-CG1 3.42Å; R1780-I1784 PolarHBondContact O-N 3.14Å; I1781-I1784 PolarHBondContact O-N 3.48Å; I1784-T1786 VanDerWaalsContact C-N 3.31Å; I1784-T1786 PolarHBondContact O-N 3.5Å; I1784-A1787 WeakPolarHBondContact O-CB 3.42Å; I1784-A1787 PolarHBondContact O-N 2.76Å; I1784-A1787 VanDerWaalsContact O-N 3.12Å; I1784-F1788 PolarHBondContact O-N 2.94Å; I1784-H1820 HydrophobicContact CD1-CB 4.42Å; I1784-H1820 HydrophobicContact CG2-CB 3.49Å; I1784-H1820 VanDerWaalsContact CG2-CB 3.49Å; I1784-V1821 HydrophobicContact CG2-CG2 3.79Å
1785S82.6Confident75.4Confident30 Ų3056 Ų5621%0.2126%0.255CS..Hα-helixtrans-61.7-38.9175.7-64.30000111.9I1781 A1787 F1788 H1789I1781-S1785 PolarHBondContact O-N 3.36Å; I1781-S1785 PolarHBondContact O-OG 3.23Å; S1785-A1787 VanDerWaalsContact C-N 3.34Å; S1785-A1787 PolarHBondContact O-N 2.68Å; S1785-F1788 PolarHBondContact O-N 2.96Å; S1785-H1789 PolarHBondContact O-CD2 3Å; S1785-H1789 PolarHBondContact O-N 3.41Å
1786T85Confident78Confident13 Ų1351.2 Ų51.28%0.0824%0.237CC..Hα-helixtrans-59.6-43.9172.7-60.50000111.3V1700 V1720 F1782 L1783 I1784 H1789 L1790V1700-T1786 HydrophobicContact CG2-CG2 3.7Å; V1720-T1786 HydrophobicContact CG1-CG2 4.41Å; F1782-T1786 VanDerWaalsContact O-CB 3.3Å; F1782-T1786 WeakPolarHBondContact O-CB 3.36Å; F1782-T1786 PolarHBondContact O-N 3.35Å; F1782-T1786 PolarHBondContact O-OG1 2.9Å; L1783-T1786 WeakPolarHBondContact O-CB 3.5Å; L1783-T1786 PolarHBondContact O-N 2.86Å; I1784-T1786 VanDerWaalsContact C-N 3.31Å; I1784-T1786 PolarHBondContact O-N 3.5Å; T1786-H1789 PolarHBondContact O-N 3.33Å; T1786-L1790 HydrophobicContact CG2-CD1 4.33Å; T1786-L1790 WeakPolarHBondContact O-CG 3.2Å; T1786-L1790 PolarHBondContact O-N 3.49Å; T1786-L1790 VanDerWaalsContact O-N 3.07Å
1787A87.3Confident79.9Confident0 Ų045.3 Ų45.30%021%0.213CC..Hα-helixtrans-65.5-37.9176.300000112.7S1717 V1720 F1721 L1783 I1784 S1785 L1790 A1791 T1817S1717-A1787 PolarHBondContact OG-O 3.17Å; V1720-A1787 HydrophobicContact CG1-CB 4.29Å; F1721-A1787 HydrophobicContact CB-CB 3.86Å; F1721-A1787 HydrophobicContact CD2-CB 4.3Å; L1783-A1787 PolarHBondContact O-N 3.17Å; I1784-A1787 WeakPolarHBondContact O-CB 3.42Å; I1784-A1787 PolarHBondContact O-N 2.76Å; I1784-A1787 VanDerWaalsContact O-N 3.12Å; S1785-A1787 VanDerWaalsContact C-N 3.34Å; S1785-A1787 PolarHBondContact O-N 2.68Å; A1787-L1790 PolarHBondContact O-N 3.18Å; A1787-A1791 WeakPolarHBondContact O-CB 3.32Å; A1787-A1791 PolarHBondContact O-N 3.25Å; A1787-T1817 HydrophobicContact CB-CG2 4.45Å
1788F88.5Confident80.9Confident12 Ų1241.9 Ų41.95%0.05319%0.192CC..Hα-helixtrans-65.2-46.6174.6176-121.3000112.3I1784 S1785 L1790 A1791 L1792 A1818 V1821 A1825I1784-F1788 PolarHBondContact O-N 2.94Å; S1785-F1788 PolarHBondContact O-N 2.96Å; F1788-L1790 VanDerWaalsContact C-N 3.32Å; F1788-L1790 PolarHBondContact O-N 3.35Å; F1788-A1791 WeakPolarHBondContact O-CA 3.41Å; F1788-A1791 WeakPolarHBondContact O-CB 3.5Å; F1788-A1791 PolarHBondContact O-N 2.9Å; F1788-L1792 HydrophobicContact CD1-CD1 4.34Å; F1788-L1792 HydrophobicContact CD2-CG 4.36Å; F1788-L1792 HydrophobicContact CE1-CD1 3.78Å; F1788-L1792 HydrophobicContact CE1-CG 4.39Å; F1788-L1792 HydrophobicContact CE2-CD1 4.18Å; F1788-L1792 HydrophobicContact CE2-CD2 3.93Å; F1788-L1792 HydrophobicContact CE2-CG 3.93Å; F1788-L1792 HydrophobicContact CZ-CD1 3.7Å; F1788-L1792 HydrophobicContact CZ-CD2 4.04Å; F1788-L1792 HydrophobicContact CZ-CG 3.96Å; F1788-L1792 PolarHBondContact O-N 3.44Å; F1788-A1818 HydrophobicContact CD2-CB 4.14Å; F1788-A1818 HydrophobicContact CE2-CB 3.65Å; F1788-A1818 HydrophobicContact CZ-CB 4.21Å; F1788-V1821 HydrophobicContact CB-CG2 3.94Å; F1788-V1821 HydrophobicContact CD1-CG2 4.26Å; F1788-V1821 HydrophobicContact CG-CG2 4.22Å; F1788-A1825 HydrophobicContact CD1-CB 4.42Å; F1788-A1825 HydrophobicContact CE1-CB 3.86Å; F1788-A1825 HydrophobicContact CZ-CB 4Å
1789H87.2Confident81.6Confident104 Ų10437.6 Ų37.648%0.48118%0.181SC..Hα-helixtrans-58.8-42.5174.3-75-64.8000112S1785 T1786 A1791 L1792 I1793S1785-H1789 PolarHBondContact O-CD2 3Å; S1785-H1789 PolarHBondContact O-N 3.41Å; T1786-H1789 PolarHBondContact O-N 3.33Å; H1789-A1791 VanDerWaalsContact C-N 3.33Å; H1789-A1791 PolarHBondContact O-N 2.88Å; H1789-L1792 PolarHBondContact O-N 2.88Å; H1789-I1793 VanDerWaalsContact O-CG1 3.32Å; H1789-I1793 WeakPolarHBondContact O-CG1 3.42Å; H1789-I1793 PolarHBondContact O-N 3.39Å; H1789-I1793 VanDerWaalsContact O-N 3.07Å
1790L86.8Confident81.4Confident1 Ų138.1 Ų38.11%0.00519%0.189CC..Hα-helixtrans-62.8-37.7173.1-70.9169.2000112.2V1700 C1703 L1713 I1716 T1786 A1787 F1788 I1793 V1794V1700-L1790 HydrophobicContact CG1-CD2 4.15Å; V1700-L1790 HydrophobicContact CG2-CD2 4.29Å; V1700-L1790 HydrophobicContact CG2-CG 4.27Å; C1703-L1790 HydrophobicContact CB-CD2 4.5Å; L1713-L1790 HydrophobicContact CD2-CD2 4.29Å; I1716-L1790 HydrophobicContact CG2-CD1 3.93Å; T1786-L1790 HydrophobicContact CG2-CD1 4.33Å; T1786-L1790 WeakPolarHBondContact O-CG 3.2Å; T1786-L1790 PolarHBondContact O-N 3.49Å; T1786-L1790 VanDerWaalsContact O-N 3.07Å; A1787-L1790 PolarHBondContact O-N 3.18Å; F1788-L1790 VanDerWaalsContact C-N 3.32Å; F1788-L1790 PolarHBondContact O-N 3.35Å; L1790-I1793 PolarHBondContact O-N 3.29Å; L1790-V1794 WeakPolarHBondContact O-CG2 3.48Å; L1790-V1794 PolarHBondContact O-N 3.1Å
1791A87.3Confident80.3Confident1 Ų145 Ų451%0.00822%0.215CC..Hα-helixtrans-66.7-41.3176.300000112.4A1787 F1788 H1789 I1793 V1794 V1795 A1814A1787-A1791 WeakPolarHBondContact O-CB 3.32Å; A1787-A1791 PolarHBondContact O-N 3.25Å; F1788-A1791 WeakPolarHBondContact O-CA 3.41Å; F1788-A1791 WeakPolarHBondContact O-CB 3.5Å; F1788-A1791 PolarHBondContact O-N 2.9Å; H1789-A1791 VanDerWaalsContact C-N 3.33Å; H1789-A1791 PolarHBondContact O-N 2.88Å; A1791-I1793 PolarHBondContact O-N 2.72Å; A1791-V1794 WeakPolarHBondContact O-CB 3.32Å; A1791-V1794 PolarHBondContact O-N 3.44Å; A1791-V1795 WeakPolarHBondContact O-CG2 3.43Å; A1791-V1795 PolarHBondContact O-N 3.32Å; A1791-A1814 HydrophobicContact CB-CB 4.15Å
1792L87.4Confident79.3Confident12 Ų1244.7 Ų44.76%0.06322%0.221CC..Hα-helixtrans-61-42.3173.1-69179.3000111.9F1788 H1789 V1794 V1795 L1796 Y1828 Y1836F1788-L1792 HydrophobicContact CD1-CD1 4.34Å; F1788-L1792 HydrophobicContact CD2-CG 4.36Å; F1788-L1792 HydrophobicContact CE1-CD1 3.78Å; F1788-L1792 HydrophobicContact CE1-CG 4.39Å; F1788-L1792 HydrophobicContact CE2-CD1 4.18Å; F1788-L1792 HydrophobicContact CE2-CD2 3.93Å; F1788-L1792 HydrophobicContact CE2-CG 3.93Å; F1788-L1792 HydrophobicContact CZ-CD1 3.7Å; F1788-L1792 HydrophobicContact CZ-CD2 4.04Å; F1788-L1792 HydrophobicContact CZ-CG 3.96Å; F1788-L1792 PolarHBondContact O-N 3.44Å; H1789-L1792 PolarHBondContact O-N 2.88Å; L1792-V1794 VanDerWaalsContact C-N 3.3Å; L1792-V1794 PolarHBondContact O-N 3.32Å; L1792-V1795 PolarHBondContact O-N 3.18Å; L1792-L1796 WeakPolarHBondContact O-CG 3.29Å; L1792-L1796 PolarHBondContact O-N 3.04Å; L1792-Y1828 HydrophobicContact CD1-CE1 4.22Å; L1792-Y1836 HydrophobicContact CB-CE1 4.14Å; L1792-Y1836 HydrophobicContact CD2-CD1 4.21Å; L1792-Y1836 HydrophobicContact CD2-CE1 3.93Å; L1792-Y1836 HydrophobicContact CG-CE1 4.47Å
1793I86.6Confident78.4Confident28 Ų2847.2 Ų47.214%0.14424%0.24CC..Hα-helixtrans-61.7-38.3175.3-67.1164.7000111.1V1700 N1704 L1713 H1789 L1790 A1791 R1797V1700-I1793 HydrophobicContact CG1-CD1 3.87Å; N1704-I1793 HydrophobicContact CB-CD1 4.43Å; N1704-I1793 WeakPolarHBondContact OD1-CG2 3.46Å; L1713-I1793 HydrophobicContact CD1-CG2 3.94Å; H1789-I1793 VanDerWaalsContact O-CG1 3.32Å; H1789-I1793 WeakPolarHBondContact O-CG1 3.42Å; H1789-I1793 PolarHBondContact O-N 3.39Å; H1789-I1793 VanDerWaalsContact O-N 3.07Å; L1790-I1793 PolarHBondContact O-N 3.29Å; A1791-I1793 PolarHBondContact O-N 2.72Å; I1793-R1797 WeakPolarHBondContact O-CB 3.44Å; I1793-R1797 WeakPolarHBondContact O-CD 3.45Å; I1793-R1797 VanDerWaalsContact O-CG 3.23Å; I1793-R1797 WeakPolarHBondContact O-CG 3.47Å; I1793-R1797 PolarHBondContact O-N 3.27Å; I1793-R1797 VanDerWaalsContact O-N 3.07Å
1794V85.5Confident77.7Confident0 Ų049.3 Ų49.30%025%0.25CC..Hα-helixtrans-64.4-44.2174170.90000111.7A1710 L1713 L1714 L1790 A1791 L1792 R1797 T1798 M1810A1710-V1794 HydrophobicContact CB-CG1 4.44Å; L1713-V1794 HydrophobicContact CB-CG2 3.52Å; L1714-V1794 HydrophobicContact CB-CG1 4.28Å; L1714-V1794 HydrophobicContact CB-CG2 4.28Å; L1714-V1794 HydrophobicContact CD1-CG1 4.47Å; L1790-V1794 WeakPolarHBondContact O-CG2 3.48Å; L1790-V1794 PolarHBondContact O-N 3.1Å; A1791-V1794 WeakPolarHBondContact O-CB 3.32Å; A1791-V1794 PolarHBondContact O-N 3.44Å; L1792-V1794 VanDerWaalsContact C-N 3.3Å; L1792-V1794 PolarHBondContact O-N 3.32Å; V1794-R1797 PolarHBondContact O-N 3.13Å; V1794-T1798 PolarHBondContact O-N 3.42Å; V1794-M1810 HydrophobicContact CG1-CB 3.92Å; V1794-M1810 HydrophobicContact CG1-CE 3.95Å; V1794-M1810 HydrophobicContact CG1-CG 3.63Å; V1794-M1810 HydrophobicContact CG1-SD 3.74Å
1795V84.6Confident77.1Confident3 Ų357.3 Ų57.32%0.01828%0.279CS..Hα-helixtrans-63.9-46.6178.3173.20000111.1A1791 L1792 R1797 T1798 R1807 L1811 A1814 Y1836A1791-V1795 WeakPolarHBondContact O-CG2 3.43Å; A1791-V1795 PolarHBondContact O-N 3.32Å; L1792-V1795 PolarHBondContact O-N 3.18Å; V1795-R1797 VanDerWaalsContact C-N 3.34Å; V1795-R1797 PolarHBondContact O-N 2.82Å; V1795-T1798 PolarHBondContact O-N 3.42Å; V1795-T1798 VanDerWaalsContact O-N 3.16Å; V1795-T1798 PolarHBondContact O-OG1 2.98Å; V1795-R1807 PolarHBondContact O-NH1 3Å; V1795-R1807 VanDerWaalsContact O-NH1 3.1Å; V1795-L1811 HydrophobicContact CG1-CD1 4.25Å; V1795-L1811 HydrophobicContact CG2-CD1 4.38Å; V1795-A1814 HydrophobicContact CG2-CB 3.8Å; V1795-Y1836 HydrophobicContact CG1-CD1 4.42Å; V1795-Y1836 WeakPolarHBondContact CG1-O 3.3Å
1796L84.3Confident76.7Confident78 Ų7859.1 Ų59.141%0.40828%0.281SS..Hα-helixtrans-56.1-45.4175.2-74.1170.1000112.2L1792 T1798 L1799 S1835 Y1836L1792-L1796 WeakPolarHBondContact O-CG 3.29Å; L1792-L1796 PolarHBondContact O-N 3.04Å; L1796-T1798 PolarHBondContact O-N 2.95Å; L1796-L1799 WeakPolarHBondContact O-CB 3.4Å; L1796-L1799 PolarHBondContact O-N 2.96Å; L1796-S1835 VanDerWaalsContact CD2-O 3.22Å; L1796-S1835 WeakPolarHBondContact CD2-O 3.49Å; L1796-Y1836 HydrophobicContact CD1-CD1 4.48Å; L1796-Y1836 HydrophobicContact CD1-CE1 3.85Å; L1796-Y1836 HydrophobicContact CD2-CD1 3.67Å; L1796-Y1836 HydrophobicContact CD2-CE1 3.69Å; L1796-Y1836 HydrophobicContact CG-CD1 3.74Å; L1796-Y1836 HydrophobicContact CG-CE1 3.6Å
1797R78.7Confident76.5Confident79 Ų7958.9 Ų58.930%0.29828%0.278SS..Hα-helixtrans-69.1-11.7-179.3-74.9168.3168.4-133.110.3115.1N1704 I1707 H1708 A1710 L1713 I1793 V1794 V1795N1704-R1797 PolarHBondContact O-NH2 3.37Å; N1704-R1797 PolarHBondContact OD1-NE 3.45Å; N1704-R1797 PolarHBondContact OD1-NH2 3.33Å; I1707-R1797 PolarHBondContact O-NH1 3.45Å; I1707-R1797 PolarHBondContact O-NH2 2.96Å; H1708-R1797 VanDerWaalsContact C-NH1 3.29Å; H1708-R1797 PolarHBondContact O-NH1 2.92Å; H1708-R1797 VanDerWaalsContact O-NH1 3.07Å; A1710-R1797 HydrophobicContact CB-CB 4.33Å; L1713-R1797 VanDerWaalsContact CD1-CZ 3.43Å; I1793-R1797 WeakPolarHBondContact O-CB 3.44Å; I1793-R1797 WeakPolarHBondContact O-CD 3.45Å; I1793-R1797 VanDerWaalsContact O-CG 3.23Å; I1793-R1797 WeakPolarHBondContact O-CG 3.47Å; I1793-R1797 PolarHBondContact O-N 3.27Å; I1793-R1797 VanDerWaalsContact O-N 3.07Å; V1794-R1797 PolarHBondContact O-N 3.13Å; V1795-R1797 VanDerWaalsContact C-N 3.34Å; V1795-R1797 PolarHBondContact O-N 2.82Å
1798T80.3Confident76Confident5 Ų565.1 Ų65.13%0.03130%0.302CS..THydrogen-bonded Turntrans-100.66.5171.860.90000113.1A1710 V1794 V1795 L1796 S1800 H1804 R1807 M1810A1710-T1798 HydrophobicContact CB-CG2 4.18Å; V1794-T1798 PolarHBondContact O-N 3.42Å; V1795-T1798 PolarHBondContact O-N 3.42Å; V1795-T1798 VanDerWaalsContact O-N 3.16Å; V1795-T1798 PolarHBondContact O-OG1 2.98Å; L1796-T1798 PolarHBondContact O-N 2.95Å; T1798-S1800 PolarHBondContact O-N 3.41Å; T1798-H1804 HydrophobicContact CG2-CB 3.81Å; T1798-R1807 PolarHBondContact O-NH1 2.99Å; T1798-R1807 PolarHBondContact OG1-NH1 2.95Å; T1798-M1810 HydrophobicContact CG2-SD 3.66Å
1799L73.2Confident75.5Confident68 Ų6867.6 Ų67.636%0.35631%0.314SS..  trans-89.673.7-179.8-153162.8000109.7L1796 S1835 Y1836L1796-L1799 WeakPolarHBondContact O-CB 3.4Å; L1796-L1799 PolarHBondContact O-N 2.96Å; L1799-S1835 VanDerWaalsContact CD1-O 3.28Å; L1799-S1835 WeakPolarHBondContact CD1-O 3.13Å; L1799-Y1836 VanDerWaalsContact CD1-C 3.46Å; L1799-Y1836 WeakPolarHBondContact CD1-O 3.48Å
1800S59.8Low75.3Confident72 Ų7262.7 Ų62.750%0.50329%0.291SS..SBendtrans-133.4171.8175.378.90000110.9T1798 S1802T1798-S1800 PolarHBondContact O-N 3.41Å; S1800-S1802 PolarHBondContact O-N 3.06Å; S1800-S1802 VanDerWaalsContact O-N 3.09Å
1801R48.4Very low75.2Confident267 Ų26762.9 Ų62.9100%1.00829%0.292SS*.SBendtrans-64.2-12.8-175.7-75.2-174174.9-177.7-1.4114.7
1802S51.6Low74.9Confident88 Ų8863.8 Ų63.862%0.61530%0.3SS*.SBendtrans-108.9116.1172.245.20000110.3S1800 H1804S1800-S1802 PolarHBondContact O-N 3.06Å; S1800-S1802 VanDerWaalsContact O-N 3.09Å; S1802-H1804 PolarHBondContact O-N 3.41Å
1803V57.9Low74.8Confident101 Ų10164.7 Ų64.761%0.61230%0.302SS*.  trans-60.3112.9-178.9-178.50000109.8W1805V1803-W1805 PolarHBondContact O-N 3.29Å
1804H67.3Low74.7Confident53 Ų5363.4 Ų63.425%0.24530%0.296CS..  trans-63.1130176.1-177.3-101.4000110T1798 S1802 R1806 R1807T1798-H1804 HydrophobicContact CG2-CB 3.81Å; S1802-H1804 PolarHBondContact O-N 3.41Å; H1804-R1806 PolarHBondContact ND1-N 3.46Å; H1804-R1806 PolarHBondContact O-N 3.01Å; H1804-R1807 HydrophobicContact CB-CB 4.3Å; H1804-R1807 WeakPolarHBondContact O-CB 3.34Å; H1804-R1807 PolarHBondContact O-N 2.92Å
1805W69.7Low74.7Confident189 Ų18963.5 Ų63.572%0.71630%0.296SS*.THydrogen-bonded Turntrans-58.5-25.1-170.765.1-78.4000115V1803V1803-W1805 PolarHBondContact O-N 3.29Å
1806R73.2Confident74.5Confident67 Ų6764 Ų6425%0.25330%0.3SS..THydrogen-bonded Turntrans-97.68.6172.1-64.2-171131.8133.87.1115.3H1804 R1808 E1809 M1810H1804-R1806 PolarHBondContact ND1-N 3.46Å; H1804-R1806 PolarHBondContact O-N 3.01Å; R1806-R1808 VanDerWaalsContact C-N 3.26Å; R1806-R1808 PolarHBondContact O-N 3.07Å; R1806-E1809 HydrophobicContact CB-CB 4.47Å; R1806-E1809 VanDerWaalsContact CD-OE2 3.23Å; R1806-E1809 WeakPolarHBondContact CD-OE2 3.35Å; R1806-E1809 VanDerWaalsContact CG-OE2 3.25Å; R1806-E1809 WeakPolarHBondContact CG-OE2 3.49Å; R1806-E1809 IonicContact CZ-OE2 3.29Å; R1806-E1809 IonicContact NE-OE2 2.71Å; R1806-E1809 PolarHBondContact NE-OE2 3.04Å; R1806-E1809 WeakPolarHBondContact O-CB 3.28Å; R1806-E1809 PolarHBondContact O-N 3.35Å; R1806-M1810 HydrophobicContact CB-CE 4.39Å; R1806-M1810 HydrophobicContact CB-SD 4.27Å; R1806-M1810 PolarHBondContact O-N 3.25Å
1807R81.9Confident74.4Confident8 Ų860.3 Ų60.33%0.0328%0.28CS..Hα-helixtrans-56.8-37-171.9-176.5164.6164.778.24.1113.1V1795 T1798 H1804 M1810 L1811 Y1836 E1841 W1845V1795-R1807 PolarHBondContact O-NH1 3Å; V1795-R1807 VanDerWaalsContact O-NH1 3.1Å; T1798-R1807 PolarHBondContact O-NH1 2.99Å; T1798-R1807 PolarHBondContact OG1-NH1 2.95Å; H1804-R1807 HydrophobicContact CB-CB 4.3Å; H1804-R1807 WeakPolarHBondContact O-CB 3.34Å; H1804-R1807 PolarHBondContact O-N 2.92Å; R1807-M1810 PolarHBondContact O-N 3.4Å; R1807-L1811 WeakPolarHBondContact O-CB 3.47Å; R1807-L1811 PolarHBondContact O-N 3.35Å; R1807-Y1836 PolarHBondContact NH2-O 2.91Å; R1807-E1841 WeakPolarHBondContact CD-OE1 3.42Å; R1807-E1841 IonicContact CZ-OE1 3.25Å; R1807-E1841 IonicContact CZ-OE2 3.01Å; R1807-E1841 IonicContact NE-OE1 2.69Å; R1807-E1841 PolarHBondContact NE-OE1 2.78Å; R1807-E1841 IonicContact NE-OE2 2.72Å; R1807-E1841 PolarHBondContact NE-OE2 3.39Å; R1807-E1841 VanDerWaalsContact NE-OE2 3.17Å; R1807-E1841 IonicContact NH2-OE1 2.74Å; R1807-E1841 IonicContact NH2-OE2 3.4Å; R1807-E1841 PolarHBondContact NH2-OE2 3.24Å; R1807-W1845 HydrophobicContact CG-CZ3 4.49Å
1808R76.3Confident74.7Confident131 Ų13156.6 Ų56.649%0.49427%0.266SS..Hα-helixtrans-64.4-39.7173.9-169.5179.7-178-152.30.8113.1R1806 A1812 W1845R1806-R1808 VanDerWaalsContact C-N 3.26Å; R1806-R1808 PolarHBondContact O-N 3.07Å; R1808-A1812 WeakPolarHBondContact O-CB 3.48Å; R1808-A1812 PolarHBondContact O-N 3.02Å; R1808-W1845 HydrophobicContact CB-CD2 4.19Å; R1808-W1845 HydrophobicContact CB-CE3 4.04Å; R1808-W1845 HydrophobicContact CB-CH2 4.24Å; R1808-W1845 HydrophobicContact CB-CZ2 4.37Å; R1808-W1845 HydrophobicContact CB-CZ3 4.06Å; R1808-W1845 HydrophobicContact CG-CD2 3.85Å; R1808-W1845 HydrophobicContact CG-CE3 4.13Å; R1808-W1845 HydrophobicContact CG-CG 4.1Å
1809E76.5Confident74.7Confident65 Ų6557.9 Ų57.930%0.30427%0.273SS..Hα-helixtrans-66.4-41.9176-54.5-177.3152.400110.8R1806 A1812 W1813 H1952R1806-E1809 HydrophobicContact CB-CB 4.47Å; R1806-E1809 VanDerWaalsContact CD-OE2 3.23Å; R1806-E1809 WeakPolarHBondContact CD-OE2 3.35Å; R1806-E1809 VanDerWaalsContact CG-OE2 3.25Å; R1806-E1809 WeakPolarHBondContact CG-OE2 3.49Å; R1806-E1809 IonicContact CZ-OE2 3.29Å; R1806-E1809 IonicContact NE-OE2 2.71Å; R1806-E1809 PolarHBondContact NE-OE2 3.04Å; R1806-E1809 WeakPolarHBondContact O-CB 3.28Å; R1806-E1809 PolarHBondContact O-N 3.35Å; E1809-A1812 PolarHBondContact O-N 3.14Å; E1809-W1813 WeakPolarHBondContact O-CB 3.39Å; E1809-W1813 PolarHBondContact O-N 2.89Å; E1809-H1952 IonicContact OE1-CD2 2.69Å; E1809-H1952 IonicContact OE1-CE1 3.51Å; E1809-H1952 IonicContact OE1-NE2 3.87Å; E1809-H1952 PolarHBondContact OE1-NE2 3.11Å
1810M83.9Confident74.9Confident0 Ų056.5 Ų56.50%026%0.264CS..Hα-helixtrans-66.7-39.8178.5-71.5165.516300112.5A1710 V1711 L1714 V1794 T1798 R1806 R1807 W1813 A1814A1710-M1810 HydrophobicContact CB-CE 4.25Å; V1711-M1810 HydrophobicContact CG2-CE 3.88Å; L1714-M1810 HydrophobicContact CB-CE 4.41Å; L1714-M1810 HydrophobicContact CD1-CG 4.38Å; L1714-M1810 HydrophobicContact CD2-CE 4.03Å; L1714-M1810 HydrophobicContact CD2-CG 3.9Å; V1794-M1810 HydrophobicContact CG1-CB 3.92Å; V1794-M1810 HydrophobicContact CG1-CE 3.95Å; V1794-M1810 HydrophobicContact CG1-CG 3.63Å; V1794-M1810 HydrophobicContact CG1-SD 3.74Å; T1798-M1810 HydrophobicContact CG2-SD 3.66Å; R1806-M1810 HydrophobicContact CB-CE 4.39Å; R1806-M1810 HydrophobicContact CB-SD 4.27Å; R1806-M1810 PolarHBondContact O-N 3.25Å; R1807-M1810 PolarHBondContact O-N 3.4Å; M1810-W1813 PolarHBondContact O-N 2.96Å; M1810-A1814 PolarHBondContact O-N 3.39Å; M1810-A1814 VanDerWaalsContact O-N 3.09Å
1811L84.1Confident75.9Confident5 Ų555.6 Ų55.63%0.02626%0.256CS..Hα-helixtrans-69.1-41.9175-174.962.1000111.8V1795 R1807 W1813 A1814 V1815 V1837 W1845 L1846V1795-L1811 HydrophobicContact CG1-CD1 4.25Å; V1795-L1811 HydrophobicContact CG2-CD1 4.38Å; R1807-L1811 WeakPolarHBondContact O-CB 3.47Å; R1807-L1811 PolarHBondContact O-N 3.35Å; L1811-W1813 VanDerWaalsContact C-N 3.28Å; L1811-W1813 PolarHBondContact O-N 3.17Å; L1811-A1814 PolarHBondContact O-N 3.44Å; L1811-A1814 VanDerWaalsContact O-N 3.17Å; L1811-V1815 PolarHBondContact O-N 3.19Å; L1811-V1837 HydrophobicContact CD1-CG2 3.67Å; L1811-V1837 HydrophobicContact CD2-CG1 4.17Å; L1811-V1837 HydrophobicContact CD2-CG2 4.14Å; L1811-W1845 HydrophobicContact CD2-CB 4.28Å; L1811-W1845 HydrophobicContact CD2-CE3 4.3Å; L1811-L1846 HydrophobicContact CD2-CB 4.45Å
1812A80.8Confident77.5Confident20 Ų2043.2 Ų43.217%0.16521%0.211CC..Hα-helixtrans-59.8-38.6173.700000112.1R1808 E1809 V1815 T1816 I1956R1808-A1812 WeakPolarHBondContact O-CB 3.48Å; R1808-A1812 PolarHBondContact O-N 3.02Å; E1809-A1812 PolarHBondContact O-N 3.14Å; A1812-V1815 PolarHBondContact O-N 3.15Å; A1812-T1816 PolarHBondContact O-N 3.39Å; A1812-T1816 PolarHBondContact O-OG1 3.07Å; A1812-I1956 HydrophobicContact CB-CD1 3.74Å; A1812-I1956 HydrophobicContact CB-CG1 4.27Å
1813W85.4Confident79Confident31 Ų3140.4 Ų40.412%0.11719%0.191CC..Hα-helixtrans-65.9-37.8174.4-176.4-103.2000113.2L1714 S1717 Q1718 F1721 E1809 M1810 L1811 T1816 T1817L1714-W1813 HydrophobicContact CD1-CB 4.06Å; L1714-W1813 VanDerWaalsContact CD1-CD1 3.48Å; L1714-W1813 HydrophobicContact CD1-CG 3.77Å; S1717-W1813 PolarHBondContact OG-NE1 2.94Å; Q1718-W1813 HydrophobicContact CB-CH2 4.42Å; Q1718-W1813 HydrophobicContact CB-CZ2 4.16Å; Q1718-W1813 HydrophobicContact CG-CD2 3.96Å; Q1718-W1813 HydrophobicContact CG-CE3 4.21Å; Q1718-W1813 HydrophobicContact CG-CH2 3.89Å; Q1718-W1813 HydrophobicContact CG-CZ2 3.62Å; Q1718-W1813 HydrophobicContact CG-CZ3 4.18Å; F1721-W1813 HydrophobicContact CB-CH2 4.03Å; F1721-W1813 HydrophobicContact CB-CZ2 3.7Å; F1721-W1813 AromaticContact CD1-CH2 3.5Å; F1721-W1813 HydrophobicContact CD1-CH2 3.5Å; F1721-W1813 VanDerWaalsContact CD1-CH2 3.5Å; F1721-W1813 HydrophobicContact CD1-CZ2 4.01Å; F1721-W1813 HydrophobicContact CD2-CZ2 4.48Å; F1721-W1813 HydrophobicContact CE1-CH2 4.06Å; F1721-W1813 AromaticContact CG-CH2 3.81Å; F1721-W1813 HydrophobicContact CG-CH2 3.81Å; F1721-W1813 AromaticContact CG-CZ2 3.82Å; F1721-W1813 HydrophobicContact CG-CZ2 3.82Å; E1809-W1813 WeakPolarHBondContact O-CB 3.39Å; E1809-W1813 PolarHBondContact O-N 2.89Å; M1810-W1813 PolarHBondContact O-N 2.96Å; L1811-W1813 VanDerWaalsContact C-N 3.28Å; L1811-W1813 PolarHBondContact O-N 3.17Å; W1813-T1816 PolarHBondContact O-N 3.07Å; W1813-T1817 HydrophobicContact CD2-CG2 4.48Å; W1813-T1817 HydrophobicContact CZ2-CG2 3.88Å; W1813-T1817 PolarHBondContact O-N 3.09Å; W1813-T1817 PolarHBondContact O-OG1 2.84Å
1814A86.1Confident80.1Confident1 Ų140.1 Ų40.11%0.00819%0.191CC..Hα-helixtrans-64.8-38.4173.100000112.4A1791 V1795 M1810 L1811 T1817 A1818A1791-A1814 HydrophobicContact CB-CB 4.15Å; V1795-A1814 HydrophobicContact CG2-CB 3.8Å; M1810-A1814 PolarHBondContact O-N 3.39Å; M1810-A1814 VanDerWaalsContact O-N 3.09Å; L1811-A1814 PolarHBondContact O-N 3.44Å; L1811-A1814 VanDerWaalsContact O-N 3.17Å; A1814-T1817 WeakPolarHBondContact CA-OG1 3.41Å; A1814-T1817 PolarHBondContact O-OG1 2.98Å; A1814-A1818 WeakPolarHBondContact O-CB 3.36Å; A1814-A1818 PolarHBondContact O-N 3.49Å
1815V83.7Confident80.9Confident2 Ų237.9 Ų37.91%0.01218%0.182CC..Hα-helixtrans-65.8-44.8172.2174.40000111.2L1811 A1812 T1817 A1818 L1819 L1829 L1846 A1849 L1850L1811-V1815 PolarHBondContact O-N 3.19Å; A1812-V1815 PolarHBondContact O-N 3.15Å; V1815-T1817 VanDerWaalsContact C-N 3.33Å; V1815-T1817 PolarHBondContact O-N 3.48Å; V1815-A1818 PolarHBondContact O-N 3.08Å; V1815-L1819 HydrophobicContact CG1-CD1 3.96Å; V1815-L1819 WeakPolarHBondContact O-CG 2.83Å; V1815-L1819 PolarHBondContact O-N 3.47Å; V1815-L1829 HydrophobicContact CG2-CD1 4.2Å; V1815-L1846 HydrophobicContact CG2-CD1 3.5Å; V1815-L1846 VanDerWaalsContact CG2-CD1 3.5Å; V1815-A1849 HydrophobicContact CG1-CB 4.35Å; V1815-L1850 HydrophobicContact CG1-CD2 3.88Å; V1815-L1850 HydrophobicContact CG1-CG 4.2Å
1816T80.5Confident81.6Confident15 Ų1528.9 Ų28.99%0.09215%0.148CC..Hα-helixtrans-58.7-44.8178.1-53.40000111.2A1812 W1813 L1819 H1820 A1959A1812-T1816 PolarHBondContact O-N 3.39Å; A1812-T1816 PolarHBondContact O-OG1 3.07Å; W1813-T1816 PolarHBondContact O-N 3.07Å; T1816-L1819 PolarHBondContact O-N 3.29Å; T1816-H1820 PolarHBondContact O-ND1 3.11Å; T1816-A1959 HydrophobicContact CG2-CB 4.44Å
1817T83Confident82.3Confident0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-70.8-36.7177.645.50000112.7F1721 A1787 W1813 A1814 V1815 L1819 H1820 V1821F1721-T1817 HydrophobicContact CD2-CG2 3.77Å; F1721-T1817 HydrophobicContact CE2-CG2 4.06Å; F1721-T1817 HydrophobicContact CG-CG2 4.42Å; A1787-T1817 HydrophobicContact CB-CG2 4.45Å; W1813-T1817 HydrophobicContact CD2-CG2 4.48Å; W1813-T1817 HydrophobicContact CZ2-CG2 3.88Å; W1813-T1817 PolarHBondContact O-N 3.09Å; W1813-T1817 PolarHBondContact O-OG1 2.84Å; A1814-T1817 WeakPolarHBondContact CA-OG1 3.41Å; A1814-T1817 PolarHBondContact O-OG1 2.98Å; V1815-T1817 VanDerWaalsContact C-N 3.33Å; V1815-T1817 PolarHBondContact O-N 3.48Å; T1817-L1819 VanDerWaalsContact C-N 3.33Å; T1817-L1819 PolarHBondContact O-N 2.96Å; T1817-H1820 PolarHBondContact O-N 3.35Å; T1817-H1820 VanDerWaalsContact O-N 3.17Å; T1817-V1821 PolarHBondContact O-N 2.81Å
1818A85.6Confident82.5Confident0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-58.3-43.117300000112.5F1788 A1814 V1815 H1820 V1821 G1822 A1825 L1829F1788-A1818 HydrophobicContact CD2-CB 4.14Å; F1788-A1818 HydrophobicContact CE2-CB 3.65Å; F1788-A1818 HydrophobicContact CZ-CB 4.21Å; A1814-A1818 WeakPolarHBondContact O-CB 3.36Å; A1814-A1818 PolarHBondContact O-N 3.49Å; V1815-A1818 PolarHBondContact O-N 3.08Å; A1818-H1820 PolarHBondContact O-N 3.27Å; A1818-H1820 VanDerWaalsContact O-N 3.11Å; A1818-V1821 PolarHBondContact O-N 2.98Å; A1818-V1821 VanDerWaalsContact O-N 3.07Å; A1818-G1822 PolarHBondContact O-N 3.27Å; A1818-A1825 HydrophobicContact CB-CB 4.1Å; A1818-L1829 HydrophobicContact CB-CD1 4.42Å
1819L80.7Confident83.1Confident32 Ų3224.8 Ų24.817%0.16813%0.134CC..Hα-helixtrans-61.8-18.2178.9-71.3161.2000113.9V1815 T1816 T1817 A1853 Y1969V1815-L1819 HydrophobicContact CG1-CD1 3.96Å; V1815-L1819 WeakPolarHBondContact O-CG 2.83Å; V1815-L1819 PolarHBondContact O-N 3.47Å; T1816-L1819 PolarHBondContact O-N 3.29Å; T1817-L1819 VanDerWaalsContact C-N 3.33Å; T1817-L1819 PolarHBondContact O-N 2.96Å; L1819-A1853 HydrophobicContact CD1-CB 3.56Å; L1819-A1853 HydrophobicContact CD2-CB 4.26Å; L1819-Y1969 WeakPolarHBondContact CA-OH 3.35Å; L1819-Y1969 PolarHBondContact O-OH 2.82Å
1820H75.8Confident83.6Confident39 Ų3921.9 Ų21.918%0.18112%0.121CC..Hα-helixtrans-93.8-23.1175.6-7070.2000113.8F1721 I1784 T1816 T1817 A1818 L1963F1721-H1820 HydrophobicContact CE2-CB 4.07Å; F1721-H1820 AromaticContact CE2-CD2 3.91Å; F1721-H1820 AromaticContact CE2-CG 3.68Å; F1721-H1820 AromaticContact CE2-ND1 3.88Å; F1721-H1820 AromaticContact CZ-CD2 3.64Å; F1721-H1820 AromaticContact CZ-CE1 3.57Å; F1721-H1820 AromaticContact CZ-CG 3.73Å; F1721-H1820 AromaticContact CZ-ND1 3.68Å; F1721-H1820 AromaticContact CZ-NE2 3.51Å; I1784-H1820 HydrophobicContact CD1-CB 4.42Å; I1784-H1820 HydrophobicContact CG2-CB 3.49Å; I1784-H1820 VanDerWaalsContact CG2-CB 3.49Å; T1816-H1820 PolarHBondContact O-ND1 3.11Å; T1817-H1820 PolarHBondContact O-N 3.35Å; T1817-H1820 VanDerWaalsContact O-N 3.17Å; A1818-H1820 PolarHBondContact O-N 3.27Å; A1818-H1820 VanDerWaalsContact O-N 3.11Å; H1820-L1963 WeakPolarHBondContact CE1-CD1 3.1Å; H1820-L1963 WeakPolarHBondContact NE2-CD1 3.29Å; H1820-L1963 WeakPolarHBondContact NE2-CD2 3.1Å
1821V82.2Confident83.8Confident53 Ų5328.6 Ų28.632%0.32115%0.147SC..Hα-helixtrans-79.1-27.8170.9-1790000110.1I1784 F1788 T1817 A1818 A1825I1784-V1821 HydrophobicContact CG2-CG2 3.79Å; F1788-V1821 HydrophobicContact CB-CG2 3.94Å; F1788-V1821 HydrophobicContact CD1-CG2 4.26Å; F1788-V1821 HydrophobicContact CG-CG2 4.22Å; T1817-V1821 PolarHBondContact O-N 2.81Å; A1818-V1821 PolarHBondContact O-N 2.98Å; A1818-V1821 VanDerWaalsContact O-N 3.07Å; V1821-A1825 HydrophobicContact CB-CB 3.65Å; V1821-A1825 HydrophobicContact CG1-CB 3.76Å
1822G81.4Confident83.9Confident7 Ų732.2 Ų32.27%0.07216%0.164CC..  trans111.3-171.2170.800000114.2A1818 P1824 A1825 C1826 Y1969A1818-G1822 PolarHBondContact O-N 3.27Å; G1822-P1824 VanDerWaalsContact C-CD 3.4Å; G1822-P1824 VanDerWaalsContact C-N 3.35Å; G1822-A1825 PolarHBondContact O-N 3.42Å; G1822-A1825 VanDerWaalsContact O-N 3.09Å; G1822-C1826 PolarHBondContact O-N 3.07Å; G1822-Y1969 WeakPolarHBondContact CA-OH 3.03Å
1823P82.1Confident84.3Confident30 Ų3031.5 Ų31.520%0.19516%0.157CC..Hα-helixtrans-49.8-41.2-176.2-22.828.1000115.6A1825 C1826 L1827 Y1969P1823-A1825 VanDerWaalsContact C-N 3.32Å; P1823-A1825 PolarHBondContact O-N 3.49Å; P1823-C1826 PolarHBondContact O-N 3.01Å; P1823-L1827 WeakPolarHBondContact O-CG 3.42Å; P1823-L1827 PolarHBondContact O-N 3.17Å; P1823-Y1969 HydrophobicContact CB-CD1 4.4Å; P1823-Y1969 HydrophobicContact CB-CE1 4.05Å; P1823-Y1969 HydrophobicContact CG-CD1 3.76Å; P1823-Y1969 HydrophobicContact CG-CE1 3.63Å; P1823-Y1969 HydrophobicContact CG-CG 4.48Å
1824P81.9Confident84.2Confident95 Ų9533.5 Ų33.562%0.61718%0.175SC*.Hα-helixtrans-61.1-36.5179.6-25.336.1000113.7G1822 Y1828G1822-P1824 VanDerWaalsContact C-CD 3.4Å; G1822-P1824 VanDerWaalsContact C-N 3.35Å; P1824-Y1828 VanDerWaalsContact O-CB 3.26Å; P1824-Y1828 WeakPolarHBondContact O-CB 3.45Å; P1824-Y1828 PolarHBondContact O-N 3.46Å
1825A84.1Confident84.2Confident6 Ų636.6 Ų36.65%0.0520%0.197CC..Hα-helixtrans-73.3-35.8178.800000112.2F1788 A1818 V1821 G1822 P1823 L1829F1788-A1825 HydrophobicContact CD1-CB 4.42Å; F1788-A1825 HydrophobicContact CE1-CB 3.86Å; F1788-A1825 HydrophobicContact CZ-CB 4Å; A1818-A1825 HydrophobicContact CB-CB 4.1Å; V1821-A1825 HydrophobicContact CB-CB 3.65Å; V1821-A1825 HydrophobicContact CG1-CB 3.76Å; G1822-A1825 PolarHBondContact O-N 3.42Å; G1822-A1825 VanDerWaalsContact O-N 3.09Å; P1823-A1825 VanDerWaalsContact C-N 3.32Å; P1823-A1825 PolarHBondContact O-N 3.49Å; A1825-L1829 PolarHBondContact O-N 2.71Å; A1825-L1829 VanDerWaalsContact O-N 3.14Å
1826C85.2Confident84.2Confident0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-62.9-48.5171.9-60.10000111.1G1822 P1823 L1829 I1830 L1850 Y1969 I1977G1822-C1826 PolarHBondContact O-N 3.07Å; P1823-C1826 PolarHBondContact O-N 3.01Å; C1826-L1829 PolarHBondContact O-N 3.35Å; C1826-I1830 WeakPolarHBondContact O-CD1 3.46Å; C1826-I1830 VanDerWaalsContact O-CG1 3.3Å; C1826-I1830 WeakPolarHBondContact O-CG1 3.45Å; C1826-I1830 PolarHBondContact O-N 2.87Å; C1826-I1830 VanDerWaalsContact O-N 3.09Å; C1826-L1850 HydrophobicContact CB-CD2 4.44Å; C1826-Y1969 PolarHBondContact SG-OH 3.34Å; C1826-I1977 HydrophobicContact CB-CD1 3.87Å; C1826-I1977 HydrophobicContact CB-CG1 4.4Å
1827L86.8Confident84.4Confident18 Ų1836.9 Ų36.99%0.09420%0.197CC..Hα-helixtrans-64.4-40.1177.9-70.3173000112.3P1823 L1829 I1830 Y1831 Q1976 I1977 A1980P1823-L1827 WeakPolarHBondContact O-CG 3.42Å; P1823-L1827 PolarHBondContact O-N 3.17Å; L1827-L1829 VanDerWaalsContact C-N 3.33Å; L1827-L1829 PolarHBondContact O-N 2.75Å; L1827-I1830 PolarHBondContact O-N 2.93Å; L1827-Y1831 HydrophobicContact CB-CD2 4.16Å; L1827-Y1831 HydrophobicContact CB-CE2 3.92Å; L1827-Y1831 HydrophobicContact CD2-CE2 4.21Å; L1827-Y1831 WeakPolarHBondContact O-CD2 3.35Å; L1827-Y1831 PolarHBondContact O-N 2.92Å; L1827-Q1976 HydrophobicContact CD1-CG 4.46Å; L1827-Q1976 HydrophobicContact CD2-CG 4.29Å; L1827-I1977 HydrophobicContact CD2-CG1 3.86Å; L1827-I1977 HydrophobicContact CG-CG1 4.13Å; L1827-A1980 HydrophobicContact CD2-CB 4.2Å
1828Y87.4Confident84.5Confident101 Ų10140.6 Ų40.640%0.39622%0.216SC..Hα-helixtrans-57.3-44.9174.2-177.9-91.8000112.1L1792 P1824 I1830 H1832 Y1836L1792-Y1828 HydrophobicContact CD1-CE1 4.22Å; P1824-Y1828 VanDerWaalsContact O-CB 3.26Å; P1824-Y1828 WeakPolarHBondContact O-CB 3.45Å; P1824-Y1828 PolarHBondContact O-N 3.46Å; Y1828-I1830 VanDerWaalsContact C-N 3.34Å; Y1828-I1830 PolarHBondContact O-N 2.98Å; Y1828-H1832 AromaticContact CD2-CD2 3.45Å; Y1828-H1832 VanDerWaalsContact CD2-CD2 3.45Å; Y1828-H1832 WeakPolarHBondContact CD2-CD2 3.45Å; Y1828-H1832 AromaticContact CD2-NE2 3.8Å; Y1828-H1832 AromaticContact CE2-CD2 3.34Å; Y1828-H1832 WeakPolarHBondContact CE2-CD2 3.29Å; Y1828-H1832 AromaticContact CE2-NE2 3.6Å; Y1828-H1832 AromaticContact CG-CD2 3.93Å; Y1828-H1832 AromaticContact CZ-CD2 3.73Å; Y1828-H1832 WeakPolarHBondContact O-CB 3.36Å; Y1828-H1832 PolarHBondContact O-CD2 3.29Å; Y1828-H1832 PolarHBondContact O-N 2.94Å; Y1828-Y1836 HydrophobicContact CE1-CE2 4.23Å
1829L87.1Confident84.4Confident1 Ų142.1 Ų42.11%0.00523%0.226CC..Hα-helixtrans-64.9-37.7177.9-151.1176.3000111.4V1815 A1818 A1825 C1826 L1827 W1833 L1846V1815-L1829 HydrophobicContact CG2-CD1 4.2Å; A1818-L1829 HydrophobicContact CB-CD1 4.42Å; A1825-L1829 PolarHBondContact O-N 2.71Å; A1825-L1829 VanDerWaalsContact O-N 3.14Å; C1826-L1829 PolarHBondContact O-N 3.35Å; L1827-L1829 VanDerWaalsContact C-N 3.33Å; L1827-L1829 PolarHBondContact O-N 2.75Å; L1829-W1833 WeakPolarHBondContact O-CA 3.32Å; L1829-W1833 PolarHBondContact O-N 3.25Å; L1829-L1846 HydrophobicContact CD1-CD1 4.42Å; L1829-L1846 HydrophobicContact CD2-CD1 3.7Å; L1829-L1846 HydrophobicContact CD2-CD2 3.64Å; L1829-L1846 HydrophobicContact CD2-CG 4.33Å
1830I86.9Confident84.4Confident4 Ų447.7 Ų47.72%0.02125%0.245CC..Hα-helixtrans-71.8-48.3176.9-60.8156.9000111.6C1826 L1827 Y1828 H1832 W1833 L1850 I1977 A1980 V1981 M1984C1826-I1830 WeakPolarHBondContact O-CD1 3.46Å; C1826-I1830 VanDerWaalsContact O-CG1 3.3Å; C1826-I1830 WeakPolarHBondContact O-CG1 3.45Å; C1826-I1830 PolarHBondContact O-N 2.87Å; C1826-I1830 VanDerWaalsContact O-N 3.09Å; L1827-I1830 PolarHBondContact O-N 2.93Å; Y1828-I1830 VanDerWaalsContact C-N 3.34Å; Y1828-I1830 PolarHBondContact O-N 2.98Å; I1830-H1832 VanDerWaalsContact C-N 3.34Å; I1830-H1832 PolarHBondContact O-N 3.37Å; I1830-W1833 WeakPolarHBondContact O-CB 3.46Å; I1830-W1833 PolarHBondContact O-N 3.16Å; I1830-L1850 HydrophobicContact CD1-CD1 3.98Å; I1830-L1850 HydrophobicContact CG1-CD1 3.66Å; I1830-I1977 HydrophobicContact CD1-CG2 3.95Å; I1830-A1980 HydrophobicContact CD1-CB 4.32Å; I1830-A1980 HydrophobicContact CG2-CB 3.76Å; I1830-V1981 HydrophobicContact CD1-CG2 3.86Å; I1830-V1981 HydrophobicContact CG1-CG2 4.19Å; I1830-M1984 HydrophobicContact CG2-CB 4.22Å; I1830-M1984 HydrophobicContact CG2-SD 4.28Å
1831Y88.8Confident84.8Confident140 Ų14046.5 Ų46.555%0.54924%0.239SC..Hα-helixtrans-68.2-32.8-177.4-68.4-50.5000113L1827 A1980L1827-Y1831 HydrophobicContact CB-CD2 4.16Å; L1827-Y1831 HydrophobicContact CB-CE2 3.92Å; L1827-Y1831 HydrophobicContact CD2-CE2 4.21Å; L1827-Y1831 WeakPolarHBondContact O-CD2 3.35Å; L1827-Y1831 PolarHBondContact O-N 2.92Å; Y1831-A1980 HydrophobicContact CE1-CB 4.45Å
1832H87.3Confident85.1Confident82 Ų8244 Ų4438%0.3822%0.224SC..THydrogen-bonded Turntrans-98.620.7176.8-58.8-61.5000113.4Y1828 I1830 S1834 S1835 Y1836Y1828-H1832 AromaticContact CD2-CD2 3.45Å; Y1828-H1832 VanDerWaalsContact CD2-CD2 3.45Å; Y1828-H1832 WeakPolarHBondContact CD2-CD2 3.45Å; Y1828-H1832 AromaticContact CD2-NE2 3.8Å; Y1828-H1832 AromaticContact CE2-CD2 3.34Å; Y1828-H1832 WeakPolarHBondContact CE2-CD2 3.29Å; Y1828-H1832 AromaticContact CE2-NE2 3.6Å; Y1828-H1832 AromaticContact CG-CD2 3.93Å; Y1828-H1832 AromaticContact CZ-CD2 3.73Å; Y1828-H1832 WeakPolarHBondContact O-CB 3.36Å; Y1828-H1832 PolarHBondContact O-CD2 3.29Å; Y1828-H1832 PolarHBondContact O-N 2.94Å; I1830-H1832 VanDerWaalsContact C-N 3.34Å; I1830-H1832 PolarHBondContact O-N 3.37Å; H1832-S1834 PolarHBondContact O-N 3.41Å; H1832-S1835 WeakPolarHBondContact O-CB 3.39Å; H1832-S1835 PolarHBondContact O-N 3.12Å; H1832-Y1836 HydrophobicContact CB-CD2 4.36Å; H1832-Y1836 HydrophobicContact CB-CE2 3.95Å; H1832-Y1836 WeakPolarHBondContact O-CD2 3.35Å
1833W88.4Confident85.2Confident5 Ų543.7 Ų43.72%0.01922%0.221CC..G310 helixtrans-48.4-42.8-172.471.3-93.2000113.8L1829 I1830 S1835 Y1836 V1837 P1839 A1842 L1846 M1984 Q1987 A1988 K1991L1829-W1833 WeakPolarHBondContact O-CA 3.32Å; L1829-W1833 PolarHBondContact O-N 3.25Å; I1830-W1833 WeakPolarHBondContact O-CB 3.46Å; I1830-W1833 PolarHBondContact O-N 3.16Å; W1833-S1835 PolarHBondContact O-N 2.92Å; W1833-S1835 VanDerWaalsContact O-N 3.17Å; W1833-Y1836 PolarHBondContact O-N 3.46Å; W1833-V1837 PolarHBondContact O-N 3.39Å; W1833-P1839 HydrophobicContact CH2-CB 4.19Å; W1833-P1839 HydrophobicContact CH2-CG 4.01Å; W1833-P1839 HydrophobicContact CZ3-CB 4.28Å; W1833-P1839 HydrophobicContact CZ3-CG 4.06Å; W1833-A1842 HydrophobicContact CD2-CB 4.45Å; W1833-A1842 HydrophobicContact CE3-CB 3.81Å; W1833-A1842 HydrophobicContact CZ3-CB 4.1Å; W1833-L1846 HydrophobicContact CB-CD2 4.48Å; W1833-M1984 HydrophobicContact CB-CG 4.27Å; W1833-M1984 HydrophobicContact CB-SD 3.74Å; W1833-M1984 HydrophobicContact CD2-CG 4.05Å; W1833-M1984 HydrophobicContact CG-CG 3.77Å; W1833-M1984 HydrophobicContact CG-SD 3.93Å; W1833-Q1987 HydrophobicContact CZ2-CB 4.04Å; W1833-A1988 HydrophobicContact CH2-CB 3.98Å; W1833-A1988 HydrophobicContact CZ2-CB 4.35Å; W1833-K1991 HydrophobicContact CH2-CD 3.88Å; W1833-K1991 HydrophobicContact CZ2-CD 4.19Å
1834S84.3Confident85.2Confident72 Ų7244.2 Ų44.250%0.50323%0.225SC..G310 helixtrans-68-12.8-177.354.20000114.9H1832H1832-S1834 PolarHBondContact O-N 3.41Å
1835S84.6Confident85.2Confident66 Ų6643 Ų4346%0.46221%0.209SC..G310 helixtrans-86.4-14173-58.40000112.9L1796 L1799 H1832 W1833L1796-S1835 VanDerWaalsContact CD2-O 3.22Å; L1796-S1835 WeakPolarHBondContact CD2-O 3.49Å; L1799-S1835 VanDerWaalsContact CD1-O 3.28Å; L1799-S1835 WeakPolarHBondContact CD1-O 3.13Å; H1832-S1835 WeakPolarHBondContact O-CB 3.39Å; H1832-S1835 PolarHBondContact O-N 3.12Å; W1833-S1835 PolarHBondContact O-N 2.92Å; W1833-S1835 VanDerWaalsContact O-N 3.17Å
1836Y83.8Confident85.2Confident22 Ų2242.8 Ų42.89%0.08621%0.207CC..THydrogen-bonded Turntrans-123.6-25.8-173.2-61.7-75.7000113.5L1792 V1795 L1796 L1799 R1807 Y1828 H1832 W1833L1792-Y1836 HydrophobicContact CB-CE1 4.14Å; L1792-Y1836 HydrophobicContact CD2-CD1 4.21Å; L1792-Y1836 HydrophobicContact CD2-CE1 3.93Å; L1792-Y1836 HydrophobicContact CG-CE1 4.47Å; V1795-Y1836 HydrophobicContact CG1-CD1 4.42Å; V1795-Y1836 WeakPolarHBondContact CG1-O 3.3Å; L1796-Y1836 HydrophobicContact CD1-CD1 4.48Å; L1796-Y1836 HydrophobicContact CD1-CE1 3.85Å; L1796-Y1836 HydrophobicContact CD2-CD1 3.67Å; L1796-Y1836 HydrophobicContact CD2-CE1 3.69Å; L1796-Y1836 HydrophobicContact CG-CD1 3.74Å; L1796-Y1836 HydrophobicContact CG-CE1 3.6Å; L1799-Y1836 VanDerWaalsContact CD1-C 3.46Å; L1799-Y1836 WeakPolarHBondContact CD1-O 3.48Å; R1807-Y1836 PolarHBondContact NH2-O 2.91Å; Y1828-Y1836 HydrophobicContact CE1-CE2 4.23Å; H1832-Y1836 HydrophobicContact CB-CD2 4.36Å; H1832-Y1836 HydrophobicContact CB-CE2 3.95Å; H1832-Y1836 WeakPolarHBondContact O-CD2 3.35Å; W1833-Y1836 PolarHBondContact O-N 3.46Å
1837V85.1Confident85.2Confident2 Ų242.8 Ų42.81%0.01221%0.207CC..  trans-143.3134.4-163.4-170.30000111L1811 W1833 E1841 A1842 L1846L1811-V1837 HydrophobicContact CD1-CG2 3.67Å; L1811-V1837 HydrophobicContact CD2-CG1 4.17Å; L1811-V1837 HydrophobicContact CD2-CG2 4.14Å; W1833-V1837 PolarHBondContact O-N 3.39Å; V1837-E1841 HydrophobicContact CG1-CB 3.4Å; V1837-E1841 VanDerWaalsContact CG1-CB 3.4Å; V1837-A1842 HydrophobicContact CG1-CB 3.95Å; V1837-A1842 VanDerWaalsContact CG1-N 3.31Å; V1837-L1846 HydrophobicContact CG2-CD2 4.23Å
1838N84Confident84.9Confident77 Ų7744.4 Ų44.441%0.41222%0.218SC..  trans-73.9155.3175-72.1-19.9000111.2R1840 E1841 A1842N1838-R1840 PolarHBondContact O-N 3.29Å; N1838-E1841 HydrophobicContact CB-CG 4.2Å; N1838-E1841 PolarHBondContact N-OE2 2.87Å; N1838-E1841 VanDerWaalsContact N-OE2 3.08Å; N1838-E1841 WeakPolarHBondContact O-CA 3.46Å; N1838-E1841 WeakPolarHBondContact O-CB 3.46Å; N1838-E1841 PolarHBondContact O-N 2.99Å; N1838-A1842 PolarHBondContact O-N 3.22Å
1839P83.8Confident84.3Confident32 Ų3240.3 Ų40.321%0.20821%0.205CC..Hα-helixtrans-47.7-53.6-177.6-28.934.4000113.6W1833 E1841 A1842 V1843 A1988 K1991 D1992W1833-P1839 HydrophobicContact CH2-CB 4.19Å; W1833-P1839 HydrophobicContact CH2-CG 4.01Å; W1833-P1839 HydrophobicContact CZ3-CB 4.28Å; W1833-P1839 HydrophobicContact CZ3-CG 4.06Å; P1839-E1841 VanDerWaalsContact C-N 3.33Å; P1839-E1841 PolarHBondContact O-N 3.15Å; P1839-A1842 WeakPolarHBondContact O-CB 3.35Å; P1839-A1842 PolarHBondContact O-N 2.84Å; P1839-A1842 VanDerWaalsContact O-N 3.07Å; P1839-V1843 WeakPolarHBondContact O-CG2 3.16Å; P1839-V1843 PolarHBondContact O-N 3.29Å; P1839-V1843 VanDerWaalsContact O-N 3.16Å; P1839-A1988 HydrophobicContact CB-CB 4.06Å; P1839-K1991 HydrophobicContact CB-CB 4.42Å; P1839-K1991 HydrophobicContact CG-CB 4.05Å; P1839-K1991 HydrophobicContact CG-CD 4.35Å; P1839-D1992 HydrophobicContact CB-CB 4.28Å
1840R82.1Confident84Confident150 Ų15040.2 Ų40.257%0.56621%0.205SC*.Hα-helixtrans-55.8-43.6176.9-167.9-174.6-171.1-149.81.6113.3N1838 A1842 S1844 N1995N1838-R1840 PolarHBondContact O-N 3.29Å; R1840-A1842 VanDerWaalsContact C-N 3.34Å; R1840-S1844 VanDerWaalsContact O-CB 3.27Å; R1840-S1844 WeakPolarHBondContact O-CB 3.39Å; R1840-S1844 PolarHBondContact O-N 3.27Å; R1840-S1844 PolarHBondContact O-OG 3.11Å; R1840-N1995 HydrophobicContact CB-CB 4.35Å; R1840-N1995 HydrophobicContact CG-CB 4.03Å
1841E84Confident83.6Confident13 Ų1342.3 Ų42.36%0.06122%0.216CC..Hα-helixtrans-68.6-32.7178.9-61.7178.4141.200112R1807 V1837 N1838 P1839 W1845 L1846R1807-E1841 WeakPolarHBondContact CD-OE1 3.42Å; R1807-E1841 IonicContact CZ-OE1 3.25Å; R1807-E1841 IonicContact CZ-OE2 3.01Å; R1807-E1841 IonicContact NE-OE1 2.69Å; R1807-E1841 PolarHBondContact NE-OE1 2.78Å; R1807-E1841 IonicContact NE-OE2 2.72Å; R1807-E1841 PolarHBondContact NE-OE2 3.39Å; R1807-E1841 VanDerWaalsContact NE-OE2 3.17Å; R1807-E1841 IonicContact NH2-OE1 2.74Å; R1807-E1841 IonicContact NH2-OE2 3.4Å; R1807-E1841 PolarHBondContact NH2-OE2 3.24Å; V1837-E1841 HydrophobicContact CG1-CB 3.4Å; V1837-E1841 VanDerWaalsContact CG1-CB 3.4Å; N1838-E1841 HydrophobicContact CB-CG 4.2Å; N1838-E1841 PolarHBondContact N-OE2 2.87Å; N1838-E1841 VanDerWaalsContact N-OE2 3.08Å; N1838-E1841 WeakPolarHBondContact O-CA 3.46Å; N1838-E1841 WeakPolarHBondContact O-CB 3.46Å; N1838-E1841 PolarHBondContact O-N 2.99Å; P1839-E1841 VanDerWaalsContact C-N 3.33Å; P1839-E1841 PolarHBondContact O-N 3.15Å; E1841-W1845 HydrophobicContact CB-CE3 3.99Å; E1841-W1845 HydrophobicContact CB-CZ3 4.33Å; E1841-W1845 HydrophobicContact CG-CE3 3.92Å; E1841-W1845 HydrophobicContact CG-CH2 4.29Å; E1841-W1845 HydrophobicContact CG-CZ3 3.74Å; E1841-W1845 WeakPolarHBondContact O-CA 3.35Å; E1841-W1845 WeakPolarHBondContact O-CB 3.46Å; E1841-W1845 PolarHBondContact O-N 2.91Å; E1841-W1845 WeakPolarHBondContact OE1-CZ3 3.31Å; E1841-L1846 PolarHBondContact O-N 3.22Å; E1841-L1846 VanDerWaalsContact O-N 3.11Å
1842A87.1Confident82.8Confident0 Ų038.8 Ų38.80%021%0.209CC..Iπ-helixtrans-66.2-45.917900000110.8W1833 V1837 N1838 P1839 R1840 L1846 A1847 M1984W1833-A1842 HydrophobicContact CD2-CB 4.45Å; W1833-A1842 HydrophobicContact CE3-CB 3.81Å; W1833-A1842 HydrophobicContact CZ3-CB 4.1Å; V1837-A1842 HydrophobicContact CG1-CB 3.95Å; V1837-A1842 VanDerWaalsContact CG1-N 3.31Å; N1838-A1842 PolarHBondContact O-N 3.22Å; P1839-A1842 WeakPolarHBondContact O-CB 3.35Å; P1839-A1842 PolarHBondContact O-N 2.84Å; P1839-A1842 VanDerWaalsContact O-N 3.07Å; R1840-A1842 VanDerWaalsContact C-N 3.34Å; A1842-L1846 PolarHBondContact O-N 3.06Å; A1842-A1847 WeakPolarHBondContact O-CB 3.48Å; A1842-A1847 PolarHBondContact O-N 2.68Å; A1842-M1984 HydrophobicContact CB-CE 4.41Å; A1842-M1984 HydrophobicContact CB-CG 4.46Å; A1842-M1984 HydrophobicContact CB-SD 4.17Å
1843V85.2Confident81.7Confident1 Ų135.4 Ų35.41%0.00620%0.195CC..Iπ-helixtrans-76.4-38.1178.5-159.90000112.1P1839 P1848 A1985 A1988 C1996 P1999 A2000 L2003P1839-V1843 WeakPolarHBondContact O-CG2 3.16Å; P1839-V1843 PolarHBondContact O-N 3.29Å; P1839-V1843 VanDerWaalsContact O-N 3.16Å; V1843-P1848 WeakPolarHBondContact O-CD 3.4Å; V1843-A1985 HydrophobicContact CG1-CB 4.44Å; V1843-A1988 HydrophobicContact CG2-CB 3.31Å; V1843-C1996 HydrophobicContact CG2-CB 4.15Å; V1843-P1999 HydrophobicContact CB-CB 4.14Å; V1843-P1999 VanDerWaalsContact CG1-C 3.48Å; V1843-P1999 HydrophobicContact CG1-CB 3.55Å; V1843-A2000 HydrophobicContact CG1-CB 3.96Å; V1843-L2003 HydrophobicContact CG1-CD1 3.51Å
1844S81Confident80.7Confident41 Ų4135.5 Ų35.529%0.28720%0.196SC..Iπ-helixtrans-88.1-25.8-174.775.40000115.5R1840R1840-S1844 VanDerWaalsContact O-CB 3.27Å; R1840-S1844 WeakPolarHBondContact O-CB 3.39Å; R1840-S1844 PolarHBondContact O-N 3.27Å; R1840-S1844 PolarHBondContact O-OG 3.11Å
1845W81.6Confident79.5Confident71 Ų7134.3 Ų34.327%0.26920%0.195SC..Iπ-helixtrans-122.4-48.3-175.3-57.4-19.9000113.4R1807 R1808 L1811 E1841 A1849R1807-W1845 HydrophobicContact CG-CZ3 4.49Å; R1808-W1845 HydrophobicContact CB-CD2 4.19Å; R1808-W1845 HydrophobicContact CB-CE3 4.04Å; R1808-W1845 HydrophobicContact CB-CH2 4.24Å; R1808-W1845 HydrophobicContact CB-CZ2 4.37Å; R1808-W1845 HydrophobicContact CB-CZ3 4.06Å; R1808-W1845 HydrophobicContact CG-CD2 3.85Å; R1808-W1845 HydrophobicContact CG-CE3 4.13Å; R1808-W1845 HydrophobicContact CG-CG 4.1Å; L1811-W1845 HydrophobicContact CD2-CB 4.28Å; L1811-W1845 HydrophobicContact CD2-CE3 4.3Å; E1841-W1845 HydrophobicContact CB-CE3 3.99Å; E1841-W1845 HydrophobicContact CB-CZ3 4.33Å; E1841-W1845 HydrophobicContact CG-CE3 3.92Å; E1841-W1845 HydrophobicContact CG-CH2 4.29Å; E1841-W1845 HydrophobicContact CG-CZ3 3.74Å; E1841-W1845 WeakPolarHBondContact O-CA 3.35Å; E1841-W1845 WeakPolarHBondContact O-CB 3.46Å; E1841-W1845 PolarHBondContact O-N 2.91Å; E1841-W1845 WeakPolarHBondContact OE1-CZ3 3.31Å; W1845-A1849 VanDerWaalsContact O-CB 3.29Å; W1845-A1849 WeakPolarHBondContact O-CB 3.3Å; W1845-A1849 PolarHBondContact O-N 3.42Å
1846L85Confident77.9Confident1 Ų135 Ų351%0.00520%0.197CC..Iπ-helixtrans-70.9-52.6-174.9178.659.8000112.1L1811 V1815 L1829 W1833 V1837 E1841 A1842 A1849 L1850 M1984L1811-L1846 HydrophobicContact CD2-CB 4.45Å; V1815-L1846 HydrophobicContact CG2-CD1 3.5Å; V1815-L1846 VanDerWaalsContact CG2-CD1 3.5Å; L1829-L1846 HydrophobicContact CD1-CD1 4.42Å; L1829-L1846 HydrophobicContact CD2-CD1 3.7Å; L1829-L1846 HydrophobicContact CD2-CD2 3.64Å; L1829-L1846 HydrophobicContact CD2-CG 4.33Å; W1833-L1846 HydrophobicContact CB-CD2 4.48Å; V1837-L1846 HydrophobicContact CG2-CD2 4.23Å; E1841-L1846 PolarHBondContact O-N 3.22Å; E1841-L1846 VanDerWaalsContact O-N 3.11Å; A1842-L1846 PolarHBondContact O-N 3.06Å; L1846-A1849 PolarHBondContact O-N 3.47Å; L1846-L1850 HydrophobicContact CD1-CD1 3.67Å; L1846-L1850 HydrophobicContact CD1-CG 4.17Å; L1846-L1850 HydrophobicContact CG-CD1 3.9Å; L1846-L1850 PolarHBondContact O-N 3.05Å; L1846-M1984 HydrophobicContact CD2-CE 4.14Å; L1846-M1984 HydrophobicContact CD2-SD 3.79Å; L1846-M1984 HydrophobicContact CG-CE 4.24Å
1847A85.5Confident75.9Confident0 Ų037.4 Ų37.40%021%0.211CC..Hα-helixtrans-58.9-48.7-17900000113.1A1842 A1849 L1850 L1851 V1981 M1984 L2003A1842-A1847 WeakPolarHBondContact O-CB 3.48Å; A1842-A1847 PolarHBondContact O-N 2.68Å; A1847-A1849 PolarHBondContact O-N 3.46Å; A1847-L1850 PolarHBondContact O-N 3.25Å; A1847-L1851 WeakPolarHBondContact O-CB 3.44Å; A1847-L1851 WeakPolarHBondContact O-CG 3.5Å; A1847-L1851 PolarHBondContact O-N 3.07Å; A1847-V1981 HydrophobicContact CB-CG1 3.46Å; A1847-V1981 VanDerWaalsContact CB-CG1 3.46Å; A1847-M1984 HydrophobicContact CB-CE 3.75Å; A1847-L2003 HydrophobicContact CB-CD1 3.52Å; A1847-L2003 HydrophobicContact CB-CD2 4.14Å
1848P80.2Confident73.7Confident51 Ų5143.2 Ų43.233%0.33124%0.242SC..Hα-helixtrans-62.6-38.1176.3-25.236000113.5V1843 T1852 L2003V1843-P1848 WeakPolarHBondContact O-CD 3.4Å; P1848-T1852 VanDerWaalsContact O-CB 3.29Å; P1848-T1852 WeakPolarHBondContact O-CB 3.19Å; P1848-T1852 PolarHBondContact O-N 3.44Å; P1848-T1852 PolarHBondContact O-OG1 3.39Å; P1848-L2003 HydrophobicContact CG-CD2 4.5Å
1849A74.8Confident71.2Confident15 Ų1545.5 Ų45.512%0.12426%0.258CS..Hα-helixtrans-65.4-41.9179.800000112.2V1815 W1845 L1846 A1847 A1853V1815-A1849 HydrophobicContact CG1-CB 4.35Å; W1845-A1849 VanDerWaalsContact O-CB 3.29Å; W1845-A1849 WeakPolarHBondContact O-CB 3.3Å; W1845-A1849 PolarHBondContact O-N 3.42Å; L1846-A1849 PolarHBondContact O-N 3.47Å; A1847-A1849 PolarHBondContact O-N 3.46Å; A1849-A1853 WeakPolarHBondContact O-CB 3.46Å; A1849-A1853 PolarHBondContact O-N 3.05Å
1850L80.4Confident68.5Low0 Ų050.1 Ų50.10%028%0.281CS..Hα-helixtrans-67.5-49.6175.5-74.6165.5000111.8V1815 C1826 I1830 L1846 A1847 T1852 A1853 V1854 V1981V1815-L1850 HydrophobicContact CG1-CD2 3.88Å; V1815-L1850 HydrophobicContact CG1-CG 4.2Å; C1826-L1850 HydrophobicContact CB-CD2 4.44Å; I1830-L1850 HydrophobicContact CD1-CD1 3.98Å; I1830-L1850 HydrophobicContact CG1-CD1 3.66Å; L1846-L1850 HydrophobicContact CD1-CD1 3.67Å; L1846-L1850 HydrophobicContact CD1-CG 4.17Å; L1846-L1850 HydrophobicContact CG-CD1 3.9Å; L1846-L1850 PolarHBondContact O-N 3.05Å; A1847-L1850 PolarHBondContact O-N 3.25Å; L1850-T1852 VanDerWaalsContact C-N 3.35Å; L1850-T1852 PolarHBondContact O-N 2.93Å; L1850-A1853 PolarHBondContact O-N 3.16Å; L1850-V1854 WeakPolarHBondContact O-CB 3.3Å; L1850-V1854 VanDerWaalsContact O-CG2 3.28Å; L1850-V1854 WeakPolarHBondContact O-CG2 3.36Å; L1850-V1854 PolarHBondContact O-N 3.17Å; L1850-V1981 HydrophobicContact CB-CG2 4.34Å; L1850-V1981 HydrophobicContact CD1-CG2 4.1Å
1851L78Confident65.8Low47 Ų4749.5 Ų49.525%0.24630%0.295CS..Hα-helixtrans-64.9-36.8-178-68174.5000112.7A1847 G1855 T1978 V1981 L2003A1847-L1851 WeakPolarHBondContact O-CB 3.44Å; A1847-L1851 WeakPolarHBondContact O-CG 3.5Å; A1847-L1851 PolarHBondContact O-N 3.07Å; L1851-G1855 PolarHBondContact O-N 2.79Å; L1851-T1978 HydrophobicContact CD2-CG2 3.88Å; L1851-V1981 HydrophobicContact CD1-CG1 3.89Å; L1851-V1981 HydrophobicContact CD2-CB 4.37Å; L1851-V1981 HydrophobicContact CD2-CG1 4.23Å; L1851-V1981 HydrophobicContact CG-CG1 3.97Å; L1851-L2003 HydrophobicContact CD1-CD2 3.62Å
1852T73.4Confident63.1Low66 Ų6654.9 Ų54.941%0.40533%0.33SS..Hα-helixtrans-63.4-47.8175.6-54.80000110.8P1848 L1850 V1854 G1855 T1856 I1957P1848-T1852 VanDerWaalsContact O-CB 3.29Å; P1848-T1852 WeakPolarHBondContact O-CB 3.19Å; P1848-T1852 PolarHBondContact O-N 3.44Å; P1848-T1852 PolarHBondContact O-OG1 3.39Å; L1850-T1852 VanDerWaalsContact C-N 3.35Å; L1850-T1852 PolarHBondContact O-N 2.93Å; T1852-V1854 VanDerWaalsContact C-N 3.35Å; T1852-V1854 PolarHBondContact O-N 3.01Å; T1852-G1855 PolarHBondContact O-N 3.3Å; T1852-T1856 WeakPolarHBondContact O-CG2 3.2Å; T1852-T1856 PolarHBondContact O-N 3.44Å; T1852-T1856 PolarHBondContact O-OG1 2.83Å; T1852-I1957 HydrophobicContact CG2-CD1 4.21Å; T1852-I1957 HydrophobicContact CG2-CG1 4.2Å
1853A63.7Low60.4Low12 Ų1261.5 Ų61.510%0.09937%0.371CS..Hα-helixtrans-68.6-31.7-178.900000113.5L1819 A1849 L1850 T1856L1819-A1853 HydrophobicContact CD1-CB 3.56Å; L1819-A1853 HydrophobicContact CD2-CB 4.26Å; A1849-A1853 WeakPolarHBondContact O-CB 3.46Å; A1849-A1853 PolarHBondContact O-N 3.05Å; L1850-A1853 PolarHBondContact O-N 3.16Å; A1853-T1856 PolarHBondContact O-OG1 2.89Å
1854V68Low57.4Low6 Ų669.1 Ų69.14%0.03641%0.412CS..Hα-helixtrans-76.6-38.1177.2168.60000111.8L1850 T1852 R1974 I1977L1850-V1854 WeakPolarHBondContact O-CB 3.3Å; L1850-V1854 VanDerWaalsContact O-CG2 3.28Å; L1850-V1854 WeakPolarHBondContact O-CG2 3.36Å; L1850-V1854 PolarHBondContact O-N 3.17Å; T1852-V1854 VanDerWaalsContact C-N 3.35Å; T1852-V1854 PolarHBondContact O-N 3.01Å; V1854-R1974 HydrophobicContact CG1-CB 3.61Å; V1854-R1974 HydrophobicContact CG1-CG 3.85Å; V1854-I1977 HydrophobicContact CG2-CG2 4.01Å
1855G59.1Low54.8Low47 Ų4774 Ų7449%0.48544%0.44SS..Hα-helixtrans-76.6-22.3-177.700000115.3L1851 T1852 L1857L1851-G1855 PolarHBondContact O-N 2.79Å; T1852-G1855 PolarHBondContact O-N 3.3Å; G1855-L1857 PolarHBondContact O-N 3.07Å
1856T50.5Low52Low81 Ų8176.5 Ų76.550%0.49746%0.463SS..THydrogen-bonded Turntrans-73.9-0.8178.844.50000114.7T1852 A1853T1852-T1856 WeakPolarHBondContact O-CG2 3.2Å; T1852-T1856 PolarHBondContact O-N 3.44Å; T1852-T1856 PolarHBondContact O-OG1 2.83Å; A1853-T1856 PolarHBondContact O-OG1 2.89Å
1857L42.5Very low49Very low72 Ų7281.6 Ų81.638%0.37750%0.498SS..THydrogen-bonded Turntrans-96.63.2-172.7-68168000114.3G1855 Y1969 R1974G1855-L1857 PolarHBondContact O-N 3.07Å; L1857-Y1969 HydrophobicContact CD1-CD2 4.27Å; L1857-R1974 PolarHBondContact O-NH1 3.17Å; L1857-R1974 PolarHBondContact O-NH2 3.39Å
1858D37.3Very low46.1Very low124 Ų12493.1 Ų93.166%0.66354%0.542SS*.SBendtrans-84.9-6.1-178-71.5-25.3000113.8R1974D1858-R1974 IonicContact OD1-CZ 3.95Å; D1858-R1974 IonicContact OD1-NH1 2.81Å; D1858-R1974 PolarHBondContact OD1-NH1 3.5Å
1859V32Very low43.3Very low126 Ų12699.8 Ų99.876%0.76457%0.571SS**  trans-103.287.5179-174.70000110.6
1860N27.4Very low41Very low128 Ų128105.1 Ų105.168%0.68461%0.607SS**  trans-174.390.9158.5-97.1-32.7000111.6
1861T25.4Very low38.3Very low138 Ų138114.5 Ų114.585%0.84765%0.648SS**  trans-114.8104.516542.20000109.7
1862P27.3Very low35.7Very low125 Ų125116.9 Ų116.981%0.81267%0.669SS**  trans-88.4118.3-176.932.3-31.6000112
1863T29.7Very low33.3Very low140 Ų140121.2 Ų121.286%0.85969%0.688SS**  trans-133.3128.8160.841.60000110
1864N22.8Very low31.4Very low160 Ų160124.9 Ų124.986%0.85671%0.714SS**  trans-85.7134.2177.9-62-49.6000110.3
1865V25.9Very low29.3Very low145 Ų145130.3 Ų130.388%0.87975%0.747SS**  -146.7139.8126.6-1770000107.6
1866T23.3Very low27.8Very low123 Ų123135.3 Ų135.376%0.75576%0.763SS**  trans-109.6141.2177.340.70000113.2
1867S21.8Very low26.5Very low107 Ų107140.9 Ų140.975%0.74878%0.78SS**  trans85.9151.2149.484.90000121.6
1868R24.4Very low25.8Very low243 Ų243145.6 Ų145.692%0.91781%0.805SS**  trans78117.5162.4-64-173.3175.6-170.2-1.8119.6
1869M21.5Very low25.1Very low191 Ų191145 Ų14594%0.94181%0.809SS**  trans-74.7148.2162.2-57.9168.916900111.1
1870S25.7Very low25.1Very low127 Ų127145 Ų14589%0.88881%0.811SS**  trans-160.6138.8131.125.80000113.5
1871K24.9Very low25Very low197 Ų197145 Ų14586%0.85781%0.811SS**  trans-51.5129.8-173-66.3169.9172.8178.20118
1872S22.8Very low25Very low97 Ų97143.8 Ų143.868%0.67880%0.8SS**  76.7153.611775.70000123.6
1873L23.9Very low24.9Very low156 Ų156144.5 Ų144.582%0.81779%0.792SS**  trans81.1143.9174.9-80.769.9000116.5
1874S23.4Very low24.6Very low90 Ų90142.3 Ų142.363%0.62978%0.783SS**  cis-174136-26.645.20000111
1875T23.5Very low24.8Very low120 Ų120139.4 Ų139.474%0.73677%0.767SS**  trans28.3113.5149.855.60000121.2
1876N27.1Very low24.7Very low152 Ų152137.4 Ų137.481%0.81376%0.76SS**  177.1118.2117.9-84.9-26000108.6
1877K24.5Very low24.6Very low197 Ų197137.1 Ų137.186%0.85776%0.763SS**  70.595.162.2-132.3-167.5-167.9-169.70114.6
1878L27.8Very low24.8Very low172 Ų172138.9 Ų138.990%0.90177%0.769SS**  trans-156.3140.1137.1-139.377.8000110.3
1879C22.7Very low24.7Very low111 Ų111135.1 Ų135.175%0.7577%0.765SS**  trans-147.8155.9174.6-55.20000108.9
1880P30.7Very low24.8Very low125 Ų125133.4 Ų133.481%0.81276%0.76SS**  trans-129.9119.4144.333-19.7000112.8
1881N25.4Very low24.7Very low128 Ų128133.6 Ų133.668%0.68475%0.751SS**  trans-11.2150.8130.6-67.161.2000115.6
1882D25.7Very low24.8Very low114 Ų114129.5 Ų129.561%0.6175%0.745SS**  cis-164.21773.9-115.2-15000108.8
1883Q24.5Very low24.7Very low139 Ų139131.4 Ų131.465%0.6575%0.745SS**  cis-152.1-176.66-136.2156.262.600106.4
1884S25.3Very low24.7Very low95 Ų95130.6 Ų130.666%0.66475%0.751SS**  cis-160.6178.33.273.10000106.1
1885N25.2Very low24.6Very low98 Ų98134.7 Ų134.752%0.52476%0.757SS.*  cis-164.6173.6-17-123.7-24.9000106.8D2140N1885-D2140 PolarHBondContact ND2-OD1 2.91Å; N1885-D2140 PolarHBondContact ND2-OD2 3.08Å
1886S23.7Very low24.5Very low103 Ų103135.6 Ų135.672%0.7276%0.757SS**  cis-151.2145.3-1050.90000107
1887S22.8Very low24.3Very low117 Ų117136 Ų13682%0.81875%0.754SS**  trans-102.7148.417856.20000113.1
1888T24.5Very low24.2Very low145 Ų145133.1 Ų133.189%0.8976%0.759SS**  trans-136141.9151.540.30000109.8
1889I23.9Very low23.9Very low163 Ų163129.7 Ų129.784%0.83675%0.749SS**  trans-77.5134.2177.2-66.6160.9000108.8
1890D22.7Very low24Very low155 Ų155132.2 Ų132.283%0.82976%0.755SS**  trans-154.8162.7140.8-128.6-32.9000113.1
1891N23.7Very low23.6Very low132 Ų132131.6 Ų131.671%0.70674%0.739SS**  trans-73.8169.1174-92.3-60.5000111.4
1892P26.2Very low23.6Very low110 Ų110132.6 Ų132.671%0.71474%0.738SS**  cis-145.2171.826.243.4-24.3000119
1893M22Very low23.4Very low138 Ų138130.6 Ų130.668%0.6874%0.744SS**  trans6.2118.4139.5-54.8-67.1-177.400118.5F1895M1893-F1895 HydrophobicContact CB-CD2 4.38Å; M1893-F1895 HydrophobicContact CE-CE2 4.34Å; M1893-F1895 HydrophobicContact CG-CD2 4.45Å; M1893-F1895 HydrophobicContact SD-CD2 3.98Å; M1893-F1895 HydrophobicContact SD-CE2 3.7Å
1894C23.1Very low23.4Very low139 Ų139129.7 Ų129.794%0.93974%0.743SS**  trans-112107.9141.4-94.30000107.8
1895F22.7Very low23.2Very low175 Ų175129.8 Ų129.877%0.76874%0.744SS**  trans-81.4145.1-179.4-113.2-85.3000111.9M1893M1893-F1895 HydrophobicContact CB-CD2 4.38Å; M1893-F1895 HydrophobicContact CE-CE2 4.34Å; M1893-F1895 HydrophobicContact CG-CD2 4.45Å; M1893-F1895 HydrophobicContact SD-CD2 3.98Å; M1893-F1895 HydrophobicContact SD-CE2 3.7Å
1896D21.4Very low23.3Very low139 Ų139129.4 Ų129.474%0.74374%0.741SS**  trans-66.7173.2164.1-102.7-56.1000112.7
1897H22.6Very low23.1Very low162 Ų162136.3 Ų136.375%0.7575%0.752SS**  trans79.2119173.8-53.9-82000117.5
1898S22.7Very low23.2Very low136 Ų136136 Ų13695%0.95174%0.741SS**  trans-148.279.8162.9-80.20000109.9
1899S20.3Very low23.2Very low100 Ų100137.1 Ų137.170%0.69974%0.741SS**  trans-13724.4-176.855.40000114.1
1900L24.1Very low23.2Very low164 Ų164135.3 Ų135.386%0.85973%0.734SS**  trans-125130.4174.7-76.4177.9000115.3
1901F23.6Very low23.4Very low111 Ų111133.8 Ų133.849%0.48774%0.735SS.*  trans-13.4132.3168.1-78.5-89.6000123.7R1950F1901-R1950 VanDerWaalsContact CD1-CZ 3.47Å; F1901-R1950 HydrophobicContact CE1-CB 4.41Å; F1901-R1950 VanDerWaalsContact CE1-CD 3.46Å; F1901-R1950 HydrophobicContact CE1-CG 3.8Å; F1901-R1950 HydrophobicContact CZ-CB 4.26Å; F1901-R1950 HydrophobicContact CZ-CG 4.16Å
1902F24.8Very low23.4Very low150 Ų150133.6 Ų133.666%0.65873%0.734SS**  37.9120.1124.6-76.6-112.4000120.5
1903G22.6Very low23.4Very low71 Ų71135.6 Ų135.673%0.73274%0.738SS**  -108.6144.2119.900000108.1
1904L23.6Very low23.6Very low120 Ų120132.4 Ų132.463%0.62874%0.74SS**  cis54.9101.121.6-73.6167.6000113.4N1906L1904-N1906 PolarHBondContact O-N 3.41Å
1905S21.7Very low23.6Very low98 Ų98129.1 Ų129.169%0.68573%0.73SS**  trans-71.9108.114854.50000107
1906N25.9Very low23.5Very low89 Ų89126.5 Ų126.548%0.47673%0.732SS.*  trans-67.6168.2-178.8-61.2-26.9000111.7L1904 D1908L1904-N1906 PolarHBondContact O-N 3.41Å; N1906-D1908 HydrophobicContact CB-CB 4.39Å; N1906-D1908 VanDerWaalsContact CB-OD1 3.24Å; N1906-D1908 WeakPolarHBondContact CB-OD1 3.4Å; N1906-D1908 VanDerWaalsContact CB-OD2 3.3Å; N1906-D1908 WeakPolarHBondContact CB-OD2 3.21Å; N1906-D1908 VanDerWaalsContact ND2-CG 3.29Å; N1906-D1908 PolarHBondContact ND2-OD1 3.43Å; N1906-D1908 PolarHBondContact ND2-OD2 3.27Å
1907W21.3Very low23.6Very low248 Ų248126.2 Ų126.294%0.93974%0.735SS**  trans-98.194.8136.7-83.140.1000105.5
1908D24.2Very low23.6Very low112 Ų112123.7 Ų123.760%0.59974%0.736SS**  trans-82.9141.5164.4-61.1-48.8000107.7N1906N1906-D1908 HydrophobicContact CB-CB 4.39Å; N1906-D1908 VanDerWaalsContact CB-OD1 3.24Å; N1906-D1908 WeakPolarHBondContact CB-OD1 3.4Å; N1906-D1908 VanDerWaalsContact CB-OD2 3.3Å; N1906-D1908 WeakPolarHBondContact CB-OD2 3.21Å; N1906-D1908 VanDerWaalsContact ND2-CG 3.29Å; N1906-D1908 PolarHBondContact ND2-OD1 3.43Å; N1906-D1908 PolarHBondContact ND2-OD2 3.27Å
1909D25.2Very low23.6Very low167 Ų167123.5 Ų123.589%0.89374%0.735SS**  trans-145.1133137.9-130.7-23.4000108.2
1910D23.5Very low23.8Very low125 Ų125122.3 Ų122.367%0.66874%0.738SS**  trans-89.2152.4-165.3-92.8-61.2000113.1
1911S25.6Very low23.7Very low124 Ų124120 Ų12087%0.86773%0.726SS**  trans-151.374.6143.829.80000111.9
1912L25Very low23.7Very low128 Ų128124.1 Ų124.167%0.6775%0.749SS**  trans-52.2157.8145-70.3155.3000109.5
1913N25.4Very low23.7Very low152 Ų152125.4 Ų125.481%0.81376%0.759SS**  cis-160.2174.718.7-144.9-25000113.1
1914G25.7Very low23.8Very low70 Ų70129.7 Ų129.772%0.72277%0.766SS**  trans107.9114.417000000112.6
1915G23.8Very low23.7Very low70 Ų70130.7 Ų130.772%0.72277%0.769SS**  cis111.8131.415.500000109.6
1916C21.3Very low23.8Very low120 Ų120133 Ų13381%0.81177%0.773SS**  cis-150.4-172.29.3-67.70000111.2
1917T22.6Very low23.8Very low133 Ų133133.6 Ų133.682%0.81678%0.782SS**  trans90.3114162.170.90000120.2
1918S22Very low23.8Very low110 Ų110127.9 Ų127.977%0.76978%0.775SS**  trans59.194.5133.4-51.70000121.6
1919S23.2Very low24Very low132 Ų132127.5 Ų127.592%0.92378%0.779SS**  168.9125.7107-73.30000111.6
1920G24.5Very low23.8Very low74 Ų74126.5 Ų126.576%0.76377%0.773SS**  trans16482.3175.500000117.2
1921L22.1Very low23.8Very low117 Ų117126.3 Ų126.361%0.61378%0.777SS**  trans43.4114.6153.9-54179.5000120.4
1922M23.4Very low23.6Very low197 Ų197126.8 Ų126.897%0.9777%0.77SS**  trans-134.1160.1145.7-76.1-162.772.300110.5
1923M24.9Very low23.6Very low176 Ų176130.9 Ų130.987%0.86778%0.778SS**  trans-99.6162.6-162.7-52174.7-177.800114.3
1924N24.3Very low23.5Very low161 Ų161129.6 Ų129.686%0.86178%0.78SS**  -154.5179.7126.3-135.1-33000113.5
1925M22.6Very low23.5Very low142 Ų142134 Ų13470%0.779%0.785SS**  trans-105.2142-148.7-65.8-83.2-167.200118.4
1926N22.9Very low23.4Very low145 Ų145135.9 Ų135.978%0.77579%0.787SS**  trans63165.4139.5-73.6-17.8000121.2
1927P26.7Very low23.7Very low102 Ų102134.6 Ų134.666%0.66278%0.777SS**  cis-132.5148.9-0.937.6-20.2000117.7
1928T21.6Very low23.7Very low129 Ų129134.4 Ų134.479%0.79178%0.775SS**  trans56.4158.1143.856.20000123
1929P27.4Very low23.9Very low104 Ų104138.7 Ų138.768%0.67578%0.775SS**  cis-133.1-171.8-21.135.7-15.3000115.1
1930D21.7Very low24Very low145 Ų145139 Ų13978%0.77576%0.757SS**  trans88136.7150.4-66-28.2000124.9
1931T23.2Very low23.9Very low121 Ų121140.9 Ų140.974%0.74276%0.759SS**  trans67.694.2164.654.20000121.5
1932N22.4Very low24.1Very low135 Ų135142.6 Ų142.672%0.72276%0.762SS**  132.2139.7115.5-77.1-26.6000119
1933Y24.2Very low24Very low214 Ų214137.9 Ų137.984%0.83975%0.747SS**  trans54.863.5164.5-63.1-65000120.2I1935Y1933-I1935 PolarHBondContact O-N 3.46Å
1934S23.6Very low23.9Very low124 Ų124135.5 Ų135.587%0.86774%0.744SS**  trans-73.6107.6162.2-64.10000112.8C1936S1934-C1936 PolarHBondContact O-N 2.82Å
1935I24.8Very low23.8Very low162 Ų162132.9 Ų132.983%0.83173%0.734SS**  trans-62.8127.9171.9-65.9165.2000110Y1933 P1937Y1933-I1935 PolarHBondContact O-N 3.46Å; I1935-P1937 WeakPolarHBondContact O-CD 3.47Å
1936C22Very low23.9Very low110 Ų110131.5 Ų131.574%0.74374%0.738SS**  trans-95111.9-178.7-172.50000111.9S1934 T1938S1934-C1936 PolarHBondContact O-N 2.82Å; C1936-T1938 PolarHBondContact O-N 2.9Å
1937P27Very low23.9Very low93 Ų93133.6 Ų133.660%0.60474%0.741SS**  trans-79113.7-177.930.6-33.8000112.1I1935 W1939I1935-P1937 WeakPolarHBondContact O-CD 3.47Å; P1937-W1939 PolarHBondContact O-N 3.28Å; P1937-W1939 VanDerWaalsContact O-N 3.09Å
1938T24Very low23.7Very low129 Ų129135 Ų13579%0.79175%0.748SS**  trans-74.896.7-177.952.30000113.5C1936 Y1940C1936-T1938 PolarHBondContact O-N 2.9Å; T1938-Y1940 PolarHBondContact O-N 3.24Å
1939W24.5Very low23.9Very low201 Ų201133.2 Ų133.276%0.76174%0.741SS**  trans-90.677.2177.2-84.982.7000113.9P1937 F1942P1937-W1939 PolarHBondContact O-N 3.28Å; P1937-W1939 VanDerWaalsContact O-N 3.09Å; W1939-F1942 HydrophobicContact CZ3-CZ 4.19Å
1940Y25.5Very low24Very low137 Ų137134.8 Ų134.854%0.53773%0.733SS.*  trans-154.758.3161.1-100.7-66.7000111.9L1729 T1938L1729-Y1940 HydrophobicContact CD1-CD1 4.38Å; L1729-Y1940 HydrophobicContact CD1-CD2 3.55Å; L1729-Y1940 HydrophobicContact CD1-CE2 4.03Å; L1729-Y1940 HydrophobicContact CD1-CG 3.76Å; T1938-Y1940 PolarHBondContact O-N 3.24Å
1941S22.8Very low24.4Very low115 Ų115131.7 Ų131.780%0.80472%0.723SS**  trans-150.777.6174.9-74.80000112.1C1943S1941-C1943 PolarHBondContact O-N 2.92Å
1942F25.8Very low25.1Very low153 Ų153129.5 Ų129.567%0.67170%0.704SS**  trans-80.5107.3170-87.3-79.1000110.9W1939W1939-F1942 HydrophobicContact CZ3-CZ 4.19Å
1943C21.5Very low25.7Very low97 Ų97126.5 Ų126.566%0.65569%0.694SS**  trans-74.7142.5168.1-158.70000110S1941 T1945S1941-C1943 PolarHBondContact O-N 2.92Å; C1943-T1945 VanDerWaalsContact C-N 3.29Å; C1943-T1945 PolarHBondContact O-N 3.38Å
1944P23.6Very low26.2Very low126 Ų126122.1 Ų122.182%0.81868%0.681SS**SBendtrans-86.255.3-174.335.6-37.4000113.5
1945T22.7Very low27Very low107 Ų107119.7 Ų119.766%0.65666%0.664SS**SBendtrans-143.2143.2170.132.70000111.8C1943C1943-T1945 VanDerWaalsContact C-N 3.29Å; C1943-T1945 PolarHBondContact O-N 3.38Å
1946S23Very low27.8Very low112 Ų112113.9 Ų113.978%0.78363%0.634SS**  trans48.8104.4162.5-54.50000119
1947F24.5Very low28.6Very low190 Ų190111.2 Ų111.283%0.83361%0.612SS**  trans-150.3131.7153.7-107.5-71.1000113.5
1948T22.3Very low29Very low130 Ų130110.7 Ų110.780%0.79860%0.602SS**  trans-119.795.7178.541.30000111.5
1949S26.5Very low29.8Very low92 Ų92105.9 Ų105.964%0.64358%0.576SS**SBendtrans76.1159.1159.586.10000120.9
1950R29Very low30.4Very low137 Ų13798.2 Ų98.252%0.51756%0.555SS.*  trans82.3-9.8153.2-71.5-178.5169.9-156.2-3.5123.4F1901F1901-R1950 VanDerWaalsContact CD1-CZ 3.47Å; F1901-R1950 HydrophobicContact CE1-CB 4.41Å; F1901-R1950 VanDerWaalsContact CE1-CD 3.46Å; F1901-R1950 HydrophobicContact CE1-CG 3.8Å; F1901-R1950 HydrophobicContact CZ-CB 4.26Å; F1901-R1950 HydrophobicContact CZ-CG 4.16Å
1951S30Very low31Very low81 Ų8197.2 Ų97.257%0.56656%0.555SS**  trans-102.26.2-175.856.90000118.4S1953S1951-S1953 PolarHBondContact O-N 3.25Å
1952H37.8Very low31.8Very low74 Ų7496.8 Ų96.834%0.34354%0.544SS..Hα-helixtrans-77.4-13.8-167.9-70.285.3000118.6E1809 S1955E1809-H1952 IonicContact OE1-CD2 2.69Å; E1809-H1952 IonicContact OE1-CE1 3.51Å; E1809-H1952 IonicContact OE1-NE2 3.87Å; E1809-H1952 PolarHBondContact OE1-NE2 3.11Å; H1952-S1955 PolarHBondContact O-OG 3.21Å; H1952-S1955 VanDerWaalsContact O-OG 3.11Å
1953S35Very low32.6Very low73 Ų7390.5 Ų90.551%0.5152%0.517SS..Hα-helixtrans-74-37.4176.942.10000112S1951 S1955 I1956 I1957S1951-S1953 PolarHBondContact O-N 3.25Å; S1953-S1955 VanDerWaalsContact C-N 3.29Å; S1953-S1955 PolarHBondContact O-N 3.42Å; S1953-I1956 PolarHBondContact O-N 3.47Å; S1953-I1957 PolarHBondContact O-N 2.88Å
1954H33.7Very low33.4Very low122 Ų12292.5 Ų92.557%0.56552%0.521SS*.Hα-helixtrans-62.3-32.4-177.7-117.9-101000113I1956 M1958H1954-I1956 PolarHBondContact O-N 3.43Å; H1954-M1958 WeakPolarHBondContact O-CB 3.47Å; H1954-M1958 WeakPolarHBondContact O-CG 3.11Å; H1954-M1958 PolarHBondContact O-N 3.29Å
1955S40.7Very low34.1Very low73 Ų7392.7 Ų92.751%0.5152%0.52SS..Hα-helixtrans-70.9-27.9-179.651.50000114H1952 S1953 A1959H1952-S1955 PolarHBondContact O-OG 3.21Å; H1952-S1955 VanDerWaalsContact O-OG 3.11Å; S1953-S1955 VanDerWaalsContact C-N 3.29Å; S1953-S1955 PolarHBondContact O-N 3.42Å; S1955-A1959 VanDerWaalsContact O-CB 3.3Å; S1955-A1959 WeakPolarHBondContact O-CB 3.17Å; S1955-A1959 PolarHBondContact O-N 2.81Å; S1955-A1959 VanDerWaalsContact O-N 3.11Å
1956I42.7Very low35Very low39 Ų3989.9 Ų89.920%0.251%0.508CS..Hα-helixtrans-77.6-43.6176.8-54.1175.1000109.5A1812 S1953 H1954 A1959 A1960A1812-I1956 HydrophobicContact CB-CD1 3.74Å; A1812-I1956 HydrophobicContact CB-CG1 4.27Å; S1953-I1956 PolarHBondContact O-N 3.47Å; H1954-I1956 PolarHBondContact O-N 3.43Å; I1956-A1959 PolarHBondContact O-N 3.19Å; I1956-A1960 PolarHBondContact O-N 3.13Å
1957I38Very low36.3Very low55 Ų5589.2 Ų89.228%0.28250%0.499SS..Hα-helixtrans-67.7-44.4178.1-63.6171.3000110.7T1852 S1953 A1959 A1960 Q1961T1852-I1957 HydrophobicContact CG2-CD1 4.21Å; T1852-I1957 HydrophobicContact CG2-CG1 4.2Å; S1953-I1957 PolarHBondContact O-N 2.88Å; I1957-A1959 VanDerWaalsContact C-N 3.32Å; I1957-A1959 PolarHBondContact O-N 3.44Å; I1957-A1960 PolarHBondContact O-N 3.42Å; I1957-Q1961 HydrophobicContact CG2-CG 4.3Å; I1957-Q1961 WeakPolarHBondContact O-CB 3.15Å; I1957-Q1961 WeakPolarHBondContact O-CG 3.49Å; I1957-Q1961 PolarHBondContact O-N 3.16Å
1958M36.1Very low37.8Very low81 Ų8185.3 Ų85.340%0.39949%0.493SS..Hα-helixtrans-67-31.3175.8-72-74.7147.700112.6H1954 L1962H1954-M1958 WeakPolarHBondContact O-CB 3.47Å; H1954-M1958 WeakPolarHBondContact O-CG 3.11Å; H1954-M1958 PolarHBondContact O-N 3.29Å; M1958-L1962 VanDerWaalsContact O-CB 3.29Å; M1958-L1962 WeakPolarHBondContact O-CB 3.2Å; M1958-L1962 WeakPolarHBondContact O-CD1 3.33Å; M1958-L1962 WeakPolarHBondContact O-CG 3.33Å; M1958-L1962 PolarHBondContact O-N 3.36Å
1959A39.4Very low39.9Very low28 Ų2879.6 Ų79.623%0.23146%0.457CS..Hα-helixtrans-59.8-58.3167.100000109.5T1816 S1955 I1956 I1957 Q1961 L1962 L1963T1816-A1959 HydrophobicContact CG2-CB 4.44Å; S1955-A1959 VanDerWaalsContact O-CB 3.3Å; S1955-A1959 WeakPolarHBondContact O-CB 3.17Å; S1955-A1959 PolarHBondContact O-N 2.81Å; S1955-A1959 VanDerWaalsContact O-N 3.11Å; I1956-A1959 PolarHBondContact O-N 3.19Å; I1957-A1959 VanDerWaalsContact C-N 3.32Å; I1957-A1959 PolarHBondContact O-N 3.44Å; A1959-Q1961 VanDerWaalsContact C-N 3.27Å; A1959-Q1961 PolarHBondContact O-N 2.88Å; A1959-L1962 PolarHBondContact O-N 3.26Å; A1959-L1962 VanDerWaalsContact O-N 3.1Å; A1959-L1963 WeakPolarHBondContact O-CB 3.42Å; A1959-L1963 WeakPolarHBondContact O-CD1 3.42Å; A1959-L1963 WeakPolarHBondContact O-CG 3.13Å; A1959-L1963 PolarHBondContact O-N 3.2Å
1960A37.4Very low42.1Very low41 Ų4178.1 Ų78.134%0.33945%0.446SS..Hα-helixtrans-55.1-38.3-179.800000113.7I1956 I1957 L1963I1956-A1960 PolarHBondContact O-N 3.13Å; I1957-A1960 PolarHBondContact O-N 3.42Å; A1960-L1963 CarbonylContact O-C 3.58Å; A1960-L1963 WeakPolarHBondContact O-CB 3.44Å; A1960-L1963 PolarHBondContact O-N 3.45Å
1961Q39.5Very low44.2Very low115 Ų11578.9 Ų78.954%0.53745%0.453SS..Hα-helixtrans-73.9-32.4178.2-72.3174.4-33.600113.5I1957 A1959 L1963I1957-Q1961 HydrophobicContact CG2-CG 4.3Å; I1957-Q1961 WeakPolarHBondContact O-CB 3.15Å; I1957-Q1961 WeakPolarHBondContact O-CG 3.49Å; I1957-Q1961 PolarHBondContact O-N 3.16Å; A1959-Q1961 VanDerWaalsContact C-N 3.27Å; A1959-Q1961 PolarHBondContact O-N 2.88Å; Q1961-L1963 PolarHBondContact O-N 3.02Å
1962L39Very low46.4Very low106 Ų10678.1 Ų78.156%0.55545%0.452SS*.THydrogen-bonded Turntrans-74.60.8170-70.5166.5000112.8W1727 M1958 A1959W1727-L1962 HydrophobicContact CH2-CB 4.1Å; W1727-L1962 HydrophobicContact CH2-CD1 4.05Å; W1727-L1962 HydrophobicContact CH2-CD2 4.2Å; W1727-L1962 HydrophobicContact CH2-CG 4.35Å; W1727-L1962 HydrophobicContact CZ2-CB 4.17Å; M1958-L1962 VanDerWaalsContact O-CB 3.29Å; M1958-L1962 WeakPolarHBondContact O-CB 3.2Å; M1958-L1962 WeakPolarHBondContact O-CD1 3.33Å; M1958-L1962 WeakPolarHBondContact O-CG 3.33Å; M1958-L1962 PolarHBondContact O-N 3.36Å; A1959-L1962 PolarHBondContact O-N 3.26Å; A1959-L1962 VanDerWaalsContact O-N 3.1Å
1963L43.2Very low48.3Very low22 Ų2275.7 Ų75.712%0.11544%0.443CS..THydrogen-bonded Turntrans-121.742.5-177.1-65.9164.1000111.4V1725 H1820 A1959 A1960 Q1961 T1965 A1966V1725-L1963 HydrophobicContact CG1-CD2 4.01Å; H1820-L1963 WeakPolarHBondContact CE1-CD1 3.1Å; H1820-L1963 WeakPolarHBondContact NE2-CD1 3.29Å; H1820-L1963 WeakPolarHBondContact NE2-CD2 3.1Å; A1959-L1963 WeakPolarHBondContact O-CB 3.42Å; A1959-L1963 WeakPolarHBondContact O-CD1 3.42Å; A1959-L1963 WeakPolarHBondContact O-CG 3.13Å; A1959-L1963 PolarHBondContact O-N 3.2Å; A1960-L1963 CarbonylContact O-C 3.58Å; A1960-L1963 WeakPolarHBondContact O-CB 3.44Å; A1960-L1963 PolarHBondContact O-N 3.45Å; Q1961-L1963 PolarHBondContact O-N 3.02Å; L1963-T1965 PolarHBondContact O-N 3.09Å; L1963-A1966 HydrophobicContact CB-CB 4.34Å; L1963-A1966 WeakPolarHBondContact O-CB 3.17Å; L1963-A1966 PolarHBondContact O-N 2.05Å
1964N37.5Very low50.4Low138 Ų13874.2 Ų74.274%0.73843%0.427SS*.THydrogen-bonded Turntrans-68.224.7172.6-135.111.3000113.5
1965T38.8Very low52.7Low130 Ų13073 Ų7380%0.79842%0.421SS*.THydrogen-bonded Turntrans-130.41.9174.855.40000111.9L1963L1963-T1965 PolarHBondContact O-N 3.09Å
1966A40.9Very low54.8Low49 Ų4974 Ų7441%0.40542%0.418SS..SBendtrans-70.1148.4174.400000111.2L1963L1963-A1966 HydrophobicContact CB-CB 4.34Å; L1963-A1966 WeakPolarHBondContact O-CB 3.17Å; L1963-A1966 PolarHBondContact O-N 2.05Å
1967V51.2Low56.8Low97 Ų9772.2 Ų72.259%0.58841%0.409SS*.  trans-54.2129.1-171.7-178.60000111.3Y1969V1967-Y1969 WeakPolarHBondContact O-CD2 3.41Å; V1967-Y1969 PolarHBondContact O-N 3.28Å
1968P54.6Low59Low109 Ų10971.1 Ų71.171%0.70841%0.405SS*.  trans-67.2103.1175.927-33.7000110.2S1970P1968-S1970 PolarHBondContact O-N 2.96Å
1969Y66.2Low61.3Low10 Ų1070.9 Ų70.94%0.03941%0.405CS..  trans-58.2125.6172.4-81.4-115.2000109.1L1819 G1822 P1823 C1826 L1857 V1967 R1974 I1977L1819-Y1969 WeakPolarHBondContact CA-OH 3.35Å; L1819-Y1969 PolarHBondContact O-OH 2.82Å; G1822-Y1969 WeakPolarHBondContact CA-OH 3.03Å; P1823-Y1969 HydrophobicContact CB-CD1 4.4Å; P1823-Y1969 HydrophobicContact CB-CE1 4.05Å; P1823-Y1969 HydrophobicContact CG-CD1 3.76Å; P1823-Y1969 HydrophobicContact CG-CE1 3.63Å; P1823-Y1969 HydrophobicContact CG-CG 4.48Å; C1826-Y1969 PolarHBondContact SG-OH 3.34Å; L1857-Y1969 HydrophobicContact CD1-CD2 4.27Å; V1967-Y1969 WeakPolarHBondContact O-CD2 3.41Å; V1967-Y1969 PolarHBondContact O-N 3.28Å; Y1969-R1974 VanDerWaalsContact O-CZ 3.25Å; Y1969-R1974 PolarHBondContact O-NE 3.05Å; Y1969-R1974 PolarHBondContact O-NH2 2.96Å; Y1969-I1977 HydrophobicContact CD1-CD1 3.95Å; Y1969-I1977 HydrophobicContact CE1-CD1 3.69Å
1970S74.1Confident63.5Low61 Ų6170 Ų7043%0.42740%0.398SS..  trans-64.9152.8176.5780000110.8P1968 A1972 S1973 R1974P1968-S1970 PolarHBondContact O-N 2.96Å; S1970-A1972 VanDerWaalsContact C-N 3.26Å; S1970-A1972 PolarHBondContact O-N 2.92Å; S1970-S1973 WeakPolarHBondContact O-CA 3.1Å; S1970-S1973 WeakPolarHBondContact O-CB 3.42Å; S1970-S1973 PolarHBondContact O-N 3Å; S1970-S1973 PolarHBondContact OG-N 2.76Å; S1970-S1973 PolarHBondContact OG-OG 3.11Å; S1970-S1973 VanDerWaalsContact OG-OG 3.13Å; S1970-R1974 WeakPolarHBondContact O-CG 3.49Å; S1970-R1974 PolarHBondContact O-N 3.26Å
1971K71.6Confident65.9Low152 Ų15268.1 Ų68.166%0.66138%0.382SS*.Hα-helixtrans-52.8-45.1178.3179.9174171178.40111.8S1973 R1974 E1975K1971-S1973 PolarHBondContact O-N 3.47Å; K1971-R1974 WeakPolarHBondContact O-CB 3.36Å; K1971-R1974 PolarHBondContact O-N 2.87Å; K1971-R1974 VanDerWaalsContact O-N 3.11Å; K1971-E1975 WeakPolarHBondContact CE-OE1 3.35Å; K1971-E1975 IonicContact NZ-OE1 3.02Å; K1971-E1975 WeakPolarHBondContact O-CG 3.5Å; K1971-E1975 PolarHBondContact O-N 3.37Å
1972A77.5Confident68Low65 Ų6565.2 Ų65.254%0.53737%0.366SS..Hα-helixtrans-58.4-42174.900000112.8S1970 E1975 Q1976S1970-A1972 VanDerWaalsContact C-N 3.26Å; S1970-A1972 PolarHBondContact O-N 2.92Å; A1972-E1975 PolarHBondContact O-N 2.95Å; A1972-Q1976 VanDerWaalsContact O-CB 3.24Å; A1972-Q1976 WeakPolarHBondContact O-CB 3.48Å; A1972-Q1976 PolarHBondContact O-N 3.46Å
1973S77.2Confident70.3Confident24 Ų2466.3 Ų66.317%0.16837%0.368CS..Hα-helixtrans-66.6-35174.7-62.10000113.1S1970 K1971 I1977S1970-S1973 WeakPolarHBondContact O-CA 3.1Å; S1970-S1973 WeakPolarHBondContact O-CB 3.42Å; S1970-S1973 PolarHBondContact O-N 3Å; S1970-S1973 PolarHBondContact OG-N 2.76Å; S1970-S1973 PolarHBondContact OG-OG 3.11Å; S1970-S1973 VanDerWaalsContact OG-OG 3.13Å; K1971-S1973 PolarHBondContact O-N 3.47Å; S1973-I1977 WeakPolarHBondContact O-CB 3.45Å; S1973-I1977 WeakPolarHBondContact O-CD1 3.32Å; S1973-I1977 VanDerWaalsContact O-CG1 3.28Å; S1973-I1977 WeakPolarHBondContact O-CG1 3.28Å; S1973-I1977 PolarHBondContact O-N 3.22Å
1974R79.6Confident72.5Confident41 Ų4165.4 Ų65.416%0.15536%0.363CS..Hα-helixtrans-66-45.2175-59.7178.1-158.2-165.2-5.6111V1854 L1857 D1858 Y1969 S1970 K1971 I1977 T1978V1854-R1974 HydrophobicContact CG1-CB 3.61Å; V1854-R1974 HydrophobicContact CG1-CG 3.85Å; L1857-R1974 PolarHBondContact O-NH1 3.17Å; L1857-R1974 PolarHBondContact O-NH2 3.39Å; D1858-R1974 IonicContact OD1-CZ 3.95Å; D1858-R1974 IonicContact OD1-NH1 2.81Å; D1858-R1974 PolarHBondContact OD1-NH1 3.5Å; Y1969-R1974 VanDerWaalsContact O-CZ 3.25Å; Y1969-R1974 PolarHBondContact O-NE 3.05Å; Y1969-R1974 PolarHBondContact O-NH2 2.96Å; S1970-R1974 WeakPolarHBondContact O-CG 3.49Å; S1970-R1974 PolarHBondContact O-N 3.26Å; K1971-R1974 WeakPolarHBondContact O-CB 3.36Å; K1971-R1974 PolarHBondContact O-N 2.87Å; K1971-R1974 VanDerWaalsContact O-N 3.11Å; R1974-I1977 PolarHBondContact O-N 3.46Å; R1974-T1978 WeakPolarHBondContact O-CB 3.27Å; R1974-T1978 PolarHBondContact O-N 3.32Å; R1974-T1978 PolarHBondContact O-OG1 2.95Å
1975E81.5Confident74.9Confident97 Ų9758.9 Ų58.945%0.45333%0.329SS..Hα-helixtrans-65.9-43.4177.5-71.9171.3176.200111.7K1971 A1972 I1977 T1978 N1979K1971-E1975 WeakPolarHBondContact CE-OE1 3.35Å; K1971-E1975 IonicContact NZ-OE1 3.02Å; K1971-E1975 WeakPolarHBondContact O-CG 3.5Å; K1971-E1975 PolarHBondContact O-N 3.37Å; A1972-E1975 PolarHBondContact O-N 2.95Å; E1975-I1977 PolarHBondContact O-N 3.23Å; E1975-T1978 PolarHBondContact O-N 3.14Å; E1975-N1979 WeakPolarHBondContact O-CB 3.42Å; E1975-N1979 VanDerWaalsContact O-CG 3.29Å; E1975-N1979 PolarHBondContact O-N 3.38Å
1976Q84.5Confident77.2Confident95 Ų9555.5 Ų55.544%0.44431%0.306SS..Hα-helixtrans-60.1-46.1175.4-170.5-177.234.100112L1827 A1972 N1979 A1980L1827-Q1976 HydrophobicContact CD1-CG 4.46Å; L1827-Q1976 HydrophobicContact CD2-CG 4.29Å; A1972-Q1976 VanDerWaalsContact O-CB 3.24Å; A1972-Q1976 WeakPolarHBondContact O-CB 3.48Å; A1972-Q1976 PolarHBondContact O-N 3.46Å; Q1976-N1979 PolarHBondContact O-N 3.36Å; Q1976-A1980 WeakPolarHBondContact O-CB 3.42Å; Q1976-A1980 PolarHBondContact O-N 3.48Å
1977I84.8Confident79.4Confident0 Ų057.7 Ų57.70%031%0.308CS..Hα-helixtrans-62.9-42.6174.9-72.9166.9000110.8C1826 L1827 I1830 V1854 Y1969 S1973 R1974 E1975 A1980 V1981C1826-I1977 HydrophobicContact CB-CD1 3.87Å; C1826-I1977 HydrophobicContact CB-CG1 4.4Å; L1827-I1977 HydrophobicContact CD2-CG1 3.86Å; L1827-I1977 HydrophobicContact CG-CG1 4.13Å; I1830-I1977 HydrophobicContact CD1-CG2 3.95Å; V1854-I1977 HydrophobicContact CG2-CG2 4.01Å; Y1969-I1977 HydrophobicContact CD1-CD1 3.95Å; Y1969-I1977 HydrophobicContact CE1-CD1 3.69Å; S1973-I1977 WeakPolarHBondContact O-CB 3.45Å; S1973-I1977 WeakPolarHBondContact O-CD1 3.32Å; S1973-I1977 VanDerWaalsContact O-CG1 3.28Å; S1973-I1977 WeakPolarHBondContact O-CG1 3.28Å; S1973-I1977 PolarHBondContact O-N 3.22Å; R1974-I1977 PolarHBondContact O-N 3.46Å; E1975-I1977 PolarHBondContact O-N 3.23Å; I1977-A1980 PolarHBondContact O-N 3.36Å; I1977-V1981 WeakPolarHBondContact O-CG2 3.35Å; I1977-V1981 PolarHBondContact O-N 3.19Å
1978T84.8Confident81.1Confident33 Ų3353.1 Ų53.120%0.20228%0.28CS..Hα-helixtrans-62.9-44.7179-59.40000111.7L1851 R1974 E1975 V1981 R1982L1851-T1978 HydrophobicContact CD2-CG2 3.88Å; R1974-T1978 WeakPolarHBondContact O-CB 3.27Å; R1974-T1978 PolarHBondContact O-N 3.32Å; R1974-T1978 PolarHBondContact O-OG1 2.95Å; E1975-T1978 PolarHBondContact O-N 3.14Å; T1978-V1981 PolarHBondContact O-N 3.23Å; T1978-R1982 WeakPolarHBondContact O-CG 3.28Å; T1978-R1982 PolarHBondContact O-N 3.04Å
1979N84Confident82.6Confident75 Ų7548 Ų4840%0.40125%0.246SC..Hα-helixtrans-67.4-39.9177.8-69.5-14.4000111.9E1975 Q1976 V1981 R1982 H1983E1975-N1979 WeakPolarHBondContact O-CB 3.42Å; E1975-N1979 VanDerWaalsContact O-CG 3.29Å; E1975-N1979 PolarHBondContact O-N 3.38Å; Q1976-N1979 PolarHBondContact O-N 3.36Å; N1979-V1981 VanDerWaalsContact C-N 3.33Å; N1979-V1981 PolarHBondContact O-N 3.22Å; N1979-R1982 PolarHBondContact O-N 3.16Å; N1979-R1982 PolarHBondContact OD1-NH1 2.8Å; N1979-H1983 PolarHBondContact O-CD2 3.2Å; N1979-H1983 PolarHBondContact O-N 2.98Å
1980A86.6Confident83.5Confident11 Ų1150.4 Ų50.49%0.09127%0.269CS..Hα-helixtrans-62.1-39.317300000111.9L1827 I1830 Y1831 Q1976 I1977 H1983 M1984L1827-A1980 HydrophobicContact CD2-CB 4.2Å; I1830-A1980 HydrophobicContact CD1-CB 4.32Å; I1830-A1980 HydrophobicContact CG2-CB 3.76Å; Y1831-A1980 HydrophobicContact CE1-CB 4.45Å; Q1976-A1980 WeakPolarHBondContact O-CB 3.42Å; Q1976-A1980 PolarHBondContact O-N 3.48Å; I1977-A1980 PolarHBondContact O-N 3.36Å; A1980-H1983 PolarHBondContact O-N 3.35Å; A1980-M1984 WeakPolarHBondContact O-CB 3.38Å; A1980-M1984 PolarHBondContact O-N 2.9Å
1981V87.1Confident84Confident1 Ų153.3 Ų53.31%0.00627%0.274CS..Hα-helixtrans-65.3-39.6174168.30000112.2I1830 A1847 L1850 L1851 I1977 T1978 N1979 M1984 A1985I1830-V1981 HydrophobicContact CD1-CG2 3.86Å; I1830-V1981 HydrophobicContact CG1-CG2 4.19Å; A1847-V1981 HydrophobicContact CB-CG1 3.46Å; A1847-V1981 VanDerWaalsContact CB-CG1 3.46Å; L1850-V1981 HydrophobicContact CB-CG2 4.34Å; L1850-V1981 HydrophobicContact CD1-CG2 4.1Å; L1851-V1981 HydrophobicContact CD1-CG1 3.89Å; L1851-V1981 HydrophobicContact CD2-CB 4.37Å; L1851-V1981 HydrophobicContact CD2-CG1 4.23Å; L1851-V1981 HydrophobicContact CG-CG1 3.97Å; I1977-V1981 WeakPolarHBondContact O-CG2 3.35Å; I1977-V1981 PolarHBondContact O-N 3.19Å; T1978-V1981 PolarHBondContact O-N 3.23Å; N1979-V1981 VanDerWaalsContact C-N 3.33Å; N1979-V1981 PolarHBondContact O-N 3.22Å; V1981-M1984 HydrophobicContact CG1-CE 4.37Å; V1981-M1984 PolarHBondContact O-N 2.9Å; V1981-A1985 PolarHBondContact O-N 3.21Å
1982R84.6Confident84.5Confident53 Ų5348 Ų4820%0.225%0.253CS..Hα-helixtrans-62.5-46.4174-70.7173.8177.6139.7-14.8111.8T1978 N1979 M1984 A1985 L1986 K2006 D2007T1978-R1982 WeakPolarHBondContact O-CG 3.28Å; T1978-R1982 PolarHBondContact O-N 3.04Å; N1979-R1982 PolarHBondContact O-N 3.16Å; N1979-R1982 PolarHBondContact OD1-NH1 2.8Å; R1982-M1984 VanDerWaalsContact C-N 3.34Å; R1982-M1984 PolarHBondContact O-N 3.02Å; R1982-A1985 PolarHBondContact O-N 3.37Å; R1982-L1986 PolarHBondContact O-N 3.47Å; R1982-K2006 PolarHBondContact NH2-O 3.01Å; R1982-D2007 WeakPolarHBondContact CD-OD2 3.47Å; R1982-D2007 IonicContact NE-OD2 3.35Å
1983H87.1Confident84.6Confident129 Ų12946.4 Ų46.460%0.59724%0.237SC*.Hα-helixtrans-60.5-41.4174.3-87.8-74.2000112.4N1979 A1980 L1986 Q1987N1979-H1983 PolarHBondContact O-CD2 3.2Å; N1979-H1983 PolarHBondContact O-N 2.98Å; A1980-H1983 PolarHBondContact O-N 3.35Å; H1983-L1986 PolarHBondContact O-N 3.02Å; H1983-Q1987 WeakPolarHBondContact O-CG 3.33Å; H1983-Q1987 PolarHBondContact O-N 2.94Å
1984M89.3Confident84.7Confident3 Ų348.4 Ų48.42%0.01525%0.245CC..Hα-helixtrans-60.7-42.6173.8179.1-174.772.100111.9I1830 W1833 A1842 L1846 A1847 A1980 V1981 R1982 Q1987 A1988I1830-M1984 HydrophobicContact CG2-CB 4.22Å; I1830-M1984 HydrophobicContact CG2-SD 4.28Å; W1833-M1984 HydrophobicContact CB-CG 4.27Å; W1833-M1984 HydrophobicContact CB-SD 3.74Å; W1833-M1984 HydrophobicContact CD2-CG 4.05Å; W1833-M1984 HydrophobicContact CG-CG 3.77Å; W1833-M1984 HydrophobicContact CG-SD 3.93Å; A1842-M1984 HydrophobicContact CB-CE 4.41Å; A1842-M1984 HydrophobicContact CB-CG 4.46Å; A1842-M1984 HydrophobicContact CB-SD 4.17Å; L1846-M1984 HydrophobicContact CD2-CE 4.14Å; L1846-M1984 HydrophobicContact CD2-SD 3.79Å; L1846-M1984 HydrophobicContact CG-CE 4.24Å; A1847-M1984 HydrophobicContact CB-CE 3.75Å; A1980-M1984 WeakPolarHBondContact O-CB 3.38Å; A1980-M1984 PolarHBondContact O-N 2.9Å; V1981-M1984 HydrophobicContact CG1-CE 4.37Å; V1981-M1984 PolarHBondContact O-N 2.9Å; R1982-M1984 VanDerWaalsContact C-N 3.34Å; R1982-M1984 PolarHBondContact O-N 3.02Å; M1984-Q1987 PolarHBondContact O-N 3.02Å; M1984-A1988 WeakPolarHBondContact O-CB 3.47Å; M1984-A1988 PolarHBondContact O-N 3.15Å
1985A87.2Confident84.7Confident2 Ų249.8 Ų49.82%0.01726%0.256CS..Hα-helixtrans-63.2-41.7177.800000112.2V1843 V1981 R1982 A1988 A1989 L2003V1843-A1985 HydrophobicContact CG1-CB 4.44Å; V1981-A1985 PolarHBondContact O-N 3.21Å; R1982-A1985 PolarHBondContact O-N 3.37Å; A1985-A1988 PolarHBondContact O-N 3.46Å; A1985-A1989 WeakPolarHBondContact O-CB 3.23Å; A1985-A1989 PolarHBondContact O-N 3.36Å; A1985-L2003 HydrophobicContact CB-CD1 4.01Å
1986L86.3Confident85Confident59 Ų5945.2 Ų45.231%0.30923%0.234SC..Hα-helixtrans-65-45.4174.9-170.2155.8000111.6R1982 H1983 A1988 A1989 A1990 A2013 I2014R1982-L1986 PolarHBondContact O-N 3.47Å; H1983-L1986 PolarHBondContact O-N 3.02Å; L1986-A1988 VanDerWaalsContact C-N 3.27Å; L1986-A1988 PolarHBondContact O-N 3.07Å; L1986-A1989 PolarHBondContact O-N 3.09Å; L1986-A1990 WeakPolarHBondContact O-CB 3.23Å; L1986-A1990 PolarHBondContact O-N 3.16Å; L1986-A2013 HydrophobicContact CD1-CB 4.05Å; L1986-I2014 HydrophobicContact CB-CD1 4.45Å; L1986-I2014 HydrophobicContact CG-CG1 4.41Å
1987Q88.2Confident84.9Confident95 Ų9541.2 Ų41.244%0.44422%0.216SC..Hα-helixtrans-61.6-33.2174.9-73.5179.64.700113.2W1833 H1983 M1984 K1991W1833-Q1987 HydrophobicContact CZ2-CB 4.04Å; H1983-Q1987 WeakPolarHBondContact O-CG 3.33Å; H1983-Q1987 PolarHBondContact O-N 2.94Å; M1984-Q1987 PolarHBondContact O-N 3.02Å; Q1987-K1991 WeakPolarHBondContact O-CG 3.25Å; Q1987-K1991 PolarHBondContact O-N 3.01Å
1988A87Confident84.8Confident0 Ų044.4 Ų44.40%023%0.233CC..Hα-helixtrans-75.8-41.3176.900000111.8W1833 P1839 V1843 M1984 A1985 L1986 A1990 K1991 D1992W1833-A1988 HydrophobicContact CH2-CB 3.98Å; W1833-A1988 HydrophobicContact CZ2-CB 4.35Å; P1839-A1988 HydrophobicContact CB-CB 4.06Å; V1843-A1988 HydrophobicContact CG2-CB 3.31Å; M1984-A1988 WeakPolarHBondContact O-CB 3.47Å; M1984-A1988 PolarHBondContact O-N 3.15Å; A1985-A1988 PolarHBondContact O-N 3.46Å; L1986-A1988 VanDerWaalsContact C-N 3.27Å; L1986-A1988 PolarHBondContact O-N 3.07Å; A1988-A1990 VanDerWaalsContact C-N 3.3Å; A1988-A1990 PolarHBondContact O-N 3.26Å; A1988-K1991 PolarHBondContact O-N 2.93Å; A1988-D1992 PolarHBondContact O-N 3.42Å
1989A85.7Confident84.7Confident1 Ų145 Ų451%0.00824%0.237CC..Hα-helixtrans-59.9-38.7172.500000112.3A1985 L1986 K1991 D1992 P1993 A2000 I2014A1985-A1989 WeakPolarHBondContact O-CB 3.23Å; A1985-A1989 PolarHBondContact O-N 3.36Å; L1986-A1989 PolarHBondContact O-N 3.09Å; A1989-K1991 VanDerWaalsContact C-N 3.27Å; A1989-K1991 PolarHBondContact O-N 2.87Å; A1989-D1992 CarbonylContact O-C 3.52Å; A1989-P1993 VanDerWaalsContact O-CA 3.26Å; A1989-P1993 WeakPolarHBondContact O-CA 3.5Å; A1989-P1993 WeakPolarHBondContact O-CD 3.45Å; A1989-P1993 VanDerWaalsContact O-N 3.15Å; A1989-A2000 HydrophobicContact CB-CB 3.95Å; A1989-I2014 HydrophobicContact CB-CG2 4.48Å
1990A84.2Confident84.7Confident62 Ų6241.4 Ų41.451%0.51222%0.218SC..THydrogen-bonded Turntrans-69.2-18.9174.600000114.4L1986 A1988 L2017L1986-A1990 WeakPolarHBondContact O-CB 3.23Å; L1986-A1990 PolarHBondContact O-N 3.16Å; A1988-A1990 VanDerWaalsContact C-N 3.3Å; A1988-A1990 PolarHBondContact O-N 3.26Å; A1990-L2017 HydrophobicContact CB-CD1 4.01Å
1991K84.9Confident84.6Confident121 Ų12140.9 Ų40.953%0.52621%0.214SC..THydrogen-bonded Turntrans-94.2-29.7177.9-76.7174.1-179175.80113.7W1833 P1839 Q1987 A1988 A1989W1833-K1991 HydrophobicContact CH2-CD 3.88Å; W1833-K1991 HydrophobicContact CZ2-CD 4.19Å; P1839-K1991 HydrophobicContact CB-CB 4.42Å; P1839-K1991 HydrophobicContact CG-CB 4.05Å; P1839-K1991 HydrophobicContact CG-CD 4.35Å; Q1987-K1991 WeakPolarHBondContact O-CG 3.25Å; Q1987-K1991 PolarHBondContact O-N 3.01Å; A1988-K1991 PolarHBondContact O-N 2.93Å; A1989-K1991 VanDerWaalsContact C-N 3.27Å; A1989-K1991 PolarHBondContact O-N 2.87Å
1992D82.6Confident84.4Confident41 Ų4145.6 Ų45.622%0.21924%0.239CC..  trans-150.777.7179.8-177.4-9.3000109.6P1839 A1988 A1989 I1994 N1995 C1996P1839-D1992 HydrophobicContact CB-CB 4.28Å; A1988-D1992 PolarHBondContact O-N 3.42Å; A1989-D1992 CarbonylContact O-C 3.52Å; D1992-I1994 VanDerWaalsContact C-N 3.27Å; D1992-I1994 PolarHBondContact O-N 3.02Å; D1992-N1995 VanDerWaalsContact CG-ND2 3.33Å; D1992-N1995 WeakPolarHBondContact OD1-CB 3.46Å; D1992-N1995 PolarHBondContact OD1-N 3.18Å; D1992-N1995 PolarHBondContact OD1-ND2 3.03Å; D1992-N1995 WeakPolarHBondContact OD2-CB 3.33Å; D1992-N1995 PolarHBondContact OD2-ND2 3.42Å; D1992-C1996 WeakPolarHBondContact O-CB 3.32Å; D1992-C1996 PolarHBondContact O-N 2.89Å; D1992-C1996 PolarHBondContact O-SG 3.17Å
1993P79.3Confident84.3Confident32 Ų3244.4 Ų44.421%0.20824%0.237CC..Hα-helixtrans-64.4-33.9-175.123.6-33.2000112.3A1989 S1997 L2017 S2021A1989-P1993 VanDerWaalsContact O-CA 3.26Å; A1989-P1993 WeakPolarHBondContact O-CA 3.5Å; A1989-P1993 WeakPolarHBondContact O-CD 3.45Å; A1989-P1993 VanDerWaalsContact O-N 3.15Å; P1993-S1997 WeakPolarHBondContact O-CA 3.42Å; P1993-S1997 WeakPolarHBondContact O-CB 3.25Å; P1993-S1997 PolarHBondContact O-N 3.14Å; P1993-S1997 PolarHBondContact O-OG 3.48Å; P1993-L2017 HydrophobicContact CB-CD2 3.69Å; P1993-L2017 HydrophobicContact CG-CD2 4.4Å; P1993-S2021 WeakPolarHBondContact CB-OG 3.46Å
1994I78.6Confident84.1Confident66 Ų6638.4 Ų38.434%0.33821%0.209SC..Hα-helixtrans-61.2-55.2-178.5-60.5171.7000110D1992 S1997 G2026 L2027D1992-I1994 VanDerWaalsContact C-N 3.27Å; D1992-I1994 PolarHBondContact O-N 3.02Å; I1994-S1997 PolarHBondContact O-OG 2.87Å; I1994-S1997 VanDerWaalsContact O-OG 3.14Å; I1994-G2026 VanDerWaalsContact CD1-O 3.24Å; I1994-G2026 WeakPolarHBondContact CD1-O 3.33Å; I1994-G2026 WeakPolarHBondContact CG1-O 3.37Å; I1994-L2027 HydrophobicContact CB-CD2 4.44Å; I1994-L2027 HydrophobicContact CG1-CD2 4.39Å; I1994-L2027 HydrophobicContact CG2-CD2 4.26Å
1995N81.2Confident83.5Confident70 Ų7041.3 Ų41.337%0.37423%0.227SC..Hα-helixtrans-85.1-15.4-175-61.2-82.2000114.3R1840 D1992R1840-N1995 HydrophobicContact CB-CB 4.35Å; R1840-N1995 HydrophobicContact CG-CB 4.03Å; D1992-N1995 VanDerWaalsContact CG-ND2 3.33Å; D1992-N1995 WeakPolarHBondContact OD1-CB 3.46Å; D1992-N1995 PolarHBondContact OD1-N 3.18Å; D1992-N1995 PolarHBondContact OD1-ND2 3.03Å; D1992-N1995 WeakPolarHBondContact OD2-CB 3.33Å; D1992-N1995 PolarHBondContact OD2-ND2 3.42Å
1996C86.3Confident82.9Confident0 Ų050 Ų500%027%0.265CS..Hα-helixtrans-105-12-177.4-56.40000114.4V1843 D1992 P1999 A2000V1843-C1996 HydrophobicContact CG2-CB 4.15Å; D1992-C1996 WeakPolarHBondContact O-CB 3.32Å; D1992-C1996 PolarHBondContact O-N 2.89Å; D1992-C1996 PolarHBondContact O-SG 3.17Å; C1996-P1999 WeakPolarHBondContact O-CD 3.47Å; C1996-A2000 WeakPolarHBondContact O-CB 3.3Å; C1996-A2000 PolarHBondContact O-N 3.16Å
1997S83.1Confident82.5Confident11 Ų1149 Ų498%0.07726%0.259CS..Hα-helixtrans-42.2-72.1-18049.60000114.7P1993 I1994 A2000 L2001P1993-S1997 WeakPolarHBondContact O-CA 3.42Å; P1993-S1997 WeakPolarHBondContact O-CB 3.25Å; P1993-S1997 PolarHBondContact O-N 3.14Å; P1993-S1997 PolarHBondContact O-OG 3.48Å; I1994-S1997 PolarHBondContact O-OG 2.87Å; I1994-S1997 VanDerWaalsContact O-OG 3.14Å; S1997-A2000 PolarHBondContact O-N 3.3Å; S1997-L2001 WeakPolarHBondContact O-CG 3.5Å; S1997-L2001 PolarHBondContact O-N 2.96Å
1998L82.9Confident82Confident68 Ų6849.5 Ų49.536%0.35627%0.271SS..Hα-helixtrans-61.3-46.3-175.7-148.993000112.6A2000 N2002 L2035 Y2038L1998-A2000 PolarHBondContact O-N 3.15Å; L1998-N2002 WeakPolarHBondContact O-CB 3.36Å; L1998-N2002 PolarHBondContact O-N 3.38Å; L1998-N2002 VanDerWaalsContact O-N 3.1Å; L1998-L2035 HydrophobicContact CD1-CD2 3.86Å; L1998-L2035 HydrophobicContact CD1-CG 4.14Å; L1998-Y2038 HydrophobicContact CD1-CD1 4.15Å; L1998-Y2038 HydrophobicContact CD1-CG 3.92Å; L1998-Y2038 HydrophobicContact CG-CG 4.4Å
1999P81.6Confident81.7Confident44 Ų4456.2 Ų56.229%0.28631%0.305SS..Hα-helixtrans-63.1-36.1176.6-25.437.2000113.9V1843 C1996 N2002 L2003V1843-P1999 HydrophobicContact CB-CB 4.14Å; V1843-P1999 VanDerWaalsContact CG1-C 3.48Å; V1843-P1999 HydrophobicContact CG1-CB 3.55Å; C1996-P1999 WeakPolarHBondContact O-CD 3.47Å; P1999-N2002 PolarHBondContact O-N 2.85Å; P1999-L2003 WeakPolarHBondContact O-CG 3.44Å; P1999-L2003 PolarHBondContact O-N 3.31Å
2000A85.3Confident81.5Confident0 Ų056.6 Ų56.60%031%0.309CS..Hα-helixtrans-73.2-42.8-17800000111.3V1843 A1989 C1996 S1997 L1998 N2002 L2003 S2004 I2014V1843-A2000 HydrophobicContact CG1-CB 3.96Å; A1989-A2000 HydrophobicContact CB-CB 3.95Å; C1996-A2000 WeakPolarHBondContact O-CB 3.3Å; C1996-A2000 PolarHBondContact O-N 3.16Å; S1997-A2000 PolarHBondContact O-N 3.3Å; L1998-A2000 PolarHBondContact O-N 3.15Å; A2000-N2002 VanDerWaalsContact C-N 3.3Å; A2000-N2002 PolarHBondContact O-N 3.02Å; A2000-L2003 PolarHBondContact O-N 2.89Å; A2000-S2004 PolarHBondContact O-N 3.44Å; A2000-S2004 VanDerWaalsContact O-N 3.11Å; A2000-S2004 PolarHBondContact O-OG 3.21Å; A2000-S2004 VanDerWaalsContact O-OG 3.08Å; A2000-I2014 HydrophobicContact CB-CD1 4.11Å; A2000-I2014 HydrophobicContact CB-CG2 3.96Å
2001L84Confident81.6Confident0 Ų054.3 Ų54.30%029%0.287CS..Hα-helixtrans-57.7-42171.9-72.3168.9000111.8S1997 L2003 S2004 V2005 F2011 I2014 L2035 Y2038S1997-L2001 WeakPolarHBondContact O-CG 3.5Å; S1997-L2001 PolarHBondContact O-N 2.96Å; L2001-L2003 VanDerWaalsContact C-N 3.33Å; L2001-L2003 PolarHBondContact O-N 3.45Å; L2001-S2004 PolarHBondContact O-N 2.87Å; L2001-S2004 PolarHBondContact O-OG 3.22Å; L2001-V2005 VanDerWaalsContact O-CG2 3.26Å; L2001-V2005 WeakPolarHBondContact O-CG2 3.34Å; L2001-V2005 PolarHBondContact O-N 3.19Å; L2001-F2011 HydrophobicContact CB-CE2 4.27Å; L2001-F2011 HydrophobicContact CD2-CD2 4.14Å; L2001-F2011 HydrophobicContact CD2-CE2 3.8Å; L2001-F2011 HydrophobicContact CD2-CZ 4.17Å; L2001-I2014 HydrophobicContact CD2-CB 4.2Å; L2001-I2014 HydrophobicContact CD2-CG2 3.7Å; L2001-I2014 HydrophobicContact CG-CG2 3.83Å; L2001-L2035 HydrophobicContact CD1-CD2 3.7Å; L2001-Y2038 HydrophobicContact CB-CE1 4.26Å
2002N84.1Confident81.6Confident101 Ų10150.1 Ų50.154%0.5427%0.27SS..Hα-helixtrans-69.1-27.6180-16972.8000113.5L1998 P1999 A2000 Y2038L1998-N2002 WeakPolarHBondContact O-CB 3.36Å; L1998-N2002 PolarHBondContact O-N 3.38Å; L1998-N2002 VanDerWaalsContact O-N 3.1Å; P1999-N2002 PolarHBondContact O-N 2.85Å; A2000-N2002 VanDerWaalsContact C-N 3.3Å; A2000-N2002 PolarHBondContact O-N 3.02Å; N2002-Y2038 VanDerWaalsContact CA-OH 3.3Å; N2002-Y2038 WeakPolarHBondContact CA-OH 3.4Å; N2002-Y2038 WeakPolarHBondContact CB-OH 3.43Å; N2002-Y2038 PolarHBondContact OD1-OH 3.37Å; N2002-Y2038 VanDerWaalsContact OD1-OH 3.13Å
2003L81.6Confident81.8Confident27 Ų2750.2 Ų50.214%0.14128%0.277CS..Hα-helixtrans-79.5-27173.2-69.3169.8000113V1843 A1847 P1848 L1851 A1985 P1999 A2000 L2001V1843-L2003 HydrophobicContact CG1-CD1 3.51Å; A1847-L2003 HydrophobicContact CB-CD1 3.52Å; A1847-L2003 HydrophobicContact CB-CD2 4.14Å; P1848-L2003 HydrophobicContact CG-CD2 4.5Å; L1851-L2003 HydrophobicContact CD1-CD2 3.62Å; A1985-L2003 HydrophobicContact CB-CD1 4.01Å; P1999-L2003 WeakPolarHBondContact O-CG 3.44Å; P1999-L2003 PolarHBondContact O-N 3.31Å; A2000-L2003 PolarHBondContact O-N 2.89Å; L2001-L2003 VanDerWaalsContact C-N 3.33Å; L2001-L2003 PolarHBondContact O-N 3.45Å
2004S82.3Confident82.2Confident3 Ų348.8 Ų48.82%0.02127%0.268CS..Hα-helixtrans-91.9-5.6-177.458.40000114.9A2000 L2001 K2006 D2007 F2011A2000-S2004 PolarHBondContact O-N 3.44Å; A2000-S2004 VanDerWaalsContact O-N 3.11Å; A2000-S2004 PolarHBondContact O-OG 3.21Å; A2000-S2004 VanDerWaalsContact O-OG 3.08Å; L2001-S2004 PolarHBondContact O-N 2.87Å; L2001-S2004 PolarHBondContact O-OG 3.22Å; S2004-K2006 PolarHBondContact O-N 3.33Å; S2004-D2007 CarbonylContact O-C 3.58Å; S2004-D2007 WeakPolarHBondContact O-CA 3.49Å; S2004-D2007 PolarHBondContact O-N 2.9Å; S2004-F2011 WeakPolarHBondContact OG-CA 3.47Å
2005V77.4Confident82.7Confident65 Ų6546.7 Ų46.739%0.39426%0.256SS..THydrogen-bonded Turntrans-48.3-34178.3179.80000113.8L2001 D2007 F2011 W2044L2001-V2005 VanDerWaalsContact O-CG2 3.26Å; L2001-V2005 WeakPolarHBondContact O-CG2 3.34Å; L2001-V2005 PolarHBondContact O-N 3.19Å; V2005-D2007 VanDerWaalsContact C-N 3.3Å; V2005-D2007 PolarHBondContact O-N 3.42Å; V2005-F2011 HydrophobicContact CG2-CE2 4.42Å; V2005-W2044 HydrophobicContact CG1-CH2 4.12Å; V2005-W2044 HydrophobicContact CG2-CH2 4.32Å
2006K74.3Confident83Confident185 Ų18550.7 Ų50.780%0.80427%0.266SS*.THydrogen-bonded Turntrans-86.415.6177.5-63.2-167.6176.3-170.40114.6R1982 S2004R1982-K2006 PolarHBondContact NH2-O 3.01Å; S2004-K2006 PolarHBondContact O-N 3.33Å
2007D78.4Confident83.1Confident37 Ų3753.1 Ų53.120%0.19828%0.278CS..  trans-150.2101.2178.8176-14.8000109R1982 S2004 V2005 I2009 A2010 F2011R1982-D2007 WeakPolarHBondContact CD-OD2 3.47Å; R1982-D2007 IonicContact NE-OD2 3.35Å; S2004-D2007 CarbonylContact O-C 3.58Å; S2004-D2007 WeakPolarHBondContact O-CA 3.49Å; S2004-D2007 PolarHBondContact O-N 2.9Å; V2005-D2007 VanDerWaalsContact C-N 3.3Å; V2005-D2007 PolarHBondContact O-N 3.42Å; D2007-I2009 PolarHBondContact O-N 3.48Å; D2007-I2009 PolarHBondContact OD1-N 3.1Å; D2007-A2010 HydrophobicContact CB-CB 4.04Å; D2007-A2010 PolarHBondContact O-N 3.2Å; D2007-A2010 PolarHBondContact OD1-N 3.28Å; D2007-A2010 WeakPolarHBondContact OD2-CB 3.36Å; D2007-F2011 VanDerWaalsContact O-CB 3.26Å; D2007-F2011 WeakPolarHBondContact O-CB 3.26Å; D2007-F2011 PolarHBondContact O-N 3.45Å
2008P77.6Confident83.3Confident105 Ų10552.7 Ų52.768%0.68228%0.275SS*.Hα-helixtrans-64.9-24.5-173.826.5-34.3000113.3D2012P2008-D2012 WeakPolarHBondContact O-CB 3.37Å; P2008-D2012 PolarHBondContact O-N 2.81Å
2009I80.5Confident83.6Confident141 Ų14150.7 Ų50.772%0.72327%0.265SS*.Hα-helixtrans-76.4-50.1-179.6-55.6176.4000109.3D2007 F2011 A2013D2007-I2009 PolarHBondContact O-N 3.48Å; D2007-I2009 PolarHBondContact OD1-N 3.1Å; I2009-F2011 VanDerWaalsContact C-N 3.26Å; I2009-F2011 PolarHBondContact O-N 3.25Å; I2009-A2013 WeakPolarHBondContact O-CB 3.49Å; I2009-A2013 PolarHBondContact O-N 3.18Å; I2009-A2013 VanDerWaalsContact O-N 3.15Å
2010A80.6Confident83.8Confident10 Ų1053 Ų538%0.08328%0.275CS..Hα-helixtrans-63-35.4174.200000111.7D2007 I2014D2007-A2010 HydrophobicContact CB-CB 4.04Å; D2007-A2010 PolarHBondContact O-N 3.2Å; D2007-A2010 PolarHBondContact OD1-N 3.28Å; D2007-A2010 WeakPolarHBondContact OD2-CB 3.36Å; A2010-I2014 WeakPolarHBondContact O-CB 3.35Å; A2010-I2014 WeakPolarHBondContact O-CD1 3.36Å; A2010-I2014 VanDerWaalsContact O-CG1 3.25Å; A2010-I2014 WeakPolarHBondContact O-CG1 3.27Å; A2010-I2014 PolarHBondContact O-N 3.08Å; A2010-I2014 VanDerWaalsContact O-N 3.12Å
2011F86.6Confident83.8Confident13 Ų1353.8 Ų53.86%0.05728%0.28CS..Hα-helixtrans-65.8-51177.8-173.4-93.7000112.5L2001 S2004 V2005 D2007 I2009 A2013 I2014 Y2015 M2039 W2044L2001-F2011 HydrophobicContact CB-CE2 4.27Å; L2001-F2011 HydrophobicContact CD2-CD2 4.14Å; L2001-F2011 HydrophobicContact CD2-CE2 3.8Å; L2001-F2011 HydrophobicContact CD2-CZ 4.17Å; S2004-F2011 WeakPolarHBondContact OG-CA 3.47Å; V2005-F2011 HydrophobicContact CG2-CE2 4.42Å; D2007-F2011 VanDerWaalsContact O-CB 3.26Å; D2007-F2011 WeakPolarHBondContact O-CB 3.26Å; D2007-F2011 PolarHBondContact O-N 3.45Å; I2009-F2011 VanDerWaalsContact C-N 3.26Å; I2009-F2011 PolarHBondContact O-N 3.25Å; F2011-A2013 VanDerWaalsContact C-N 3.33Å; F2011-A2013 PolarHBondContact O-N 3.04Å; F2011-I2014 PolarHBondContact O-N 3.43Å; F2011-Y2015 WeakPolarHBondContact O-CB 3.41Å; F2011-Y2015 PolarHBondContact O-N 3.43Å; F2011-M2039 HydrophobicContact CE1-CE 4.03Å; F2011-M2039 HydrophobicContact CZ-CE 3.68Å; F2011-W2044 HydrophobicContact CE1-CE3 4.37Å; F2011-W2044 HydrophobicContact CE1-CH2 4.21Å; F2011-W2044 HydrophobicContact CE1-CZ3 4.08Å; F2011-W2044 AromaticContact CE2-CH2 3.76Å; F2011-W2044 HydrophobicContact CE2-CH2 3.76Å; F2011-W2044 AromaticContact CE2-CZ3 3.62Å; F2011-W2044 HydrophobicContact CE2-CZ3 3.62Å; F2011-W2044 AromaticContact CZ-CE3 3.74Å; F2011-W2044 HydrophobicContact CZ-CE3 3.74Å; F2011-W2044 AromaticContact CZ-CH2 3.57Å; F2011-W2044 HydrophobicContact CZ-CH2 3.57Å; F2011-W2044 HydrophobicContact CZ-CZ2 4.4Å; F2011-W2044 AromaticContact CZ-CZ3 3.2Å; F2011-W2044 HydrophobicContact CZ-CZ3 3.2Å
2012D85.9Confident83.8Confident33 Ų3354 Ų5418%0.17628%0.281CS..Hα-helixtrans-66.7-36.1-177.8-156.770.8000111.9P2008 Y2015 R2016 R2047P2008-D2012 WeakPolarHBondContact O-CB 3.37Å; P2008-D2012 PolarHBondContact O-N 2.81Å; D2012-Y2015 PolarHBondContact O-N 2.97Å; D2012-R2016 WeakPolarHBondContact O-CG 3.48Å; D2012-R2016 PolarHBondContact O-N 2.94Å; D2012-R2016 IonicContact OD2-CZ 2.76Å; D2012-R2016 IonicContact OD2-NE 2.73Å; D2012-R2016 PolarHBondContact OD2-NE 3.11Å; D2012-R2016 IonicContact OD2-NH2 3.9Å; D2012-R2016 PolarHBondContact OD2-NH2 3.25Å; D2012-R2047 IonicContact OD1-CZ 2.98Å; D2012-R2047 VanDerWaalsContact OD1-CZ 3.25Å; D2012-R2047 IonicContact OD1-NH1 3.41Å; D2012-R2047 PolarHBondContact OD1-NH1 3.07Å; D2012-R2047 IonicContact OD1-NH2 3.91Å; D2012-R2047 PolarHBondContact OD1-NH2 2.85Å
2013A86.2Confident83.7Confident44 Ų4454.4 Ų54.436%0.36428%0.28SS..Hα-helixtrans-60.6-46.4173.100000112.5L1986 I2009 F2011 L2017L1986-A2013 HydrophobicContact CD1-CB 4.05Å; I2009-A2013 WeakPolarHBondContact O-CB 3.49Å; I2009-A2013 PolarHBondContact O-N 3.18Å; I2009-A2013 VanDerWaalsContact O-N 3.15Å; F2011-A2013 VanDerWaalsContact C-N 3.33Å; F2011-A2013 PolarHBondContact O-N 3.04Å; A2013-L2017 WeakPolarHBondContact O-CB 3.34Å; A2013-L2017 PolarHBondContact O-N 3.47Å
2014I86.8Confident83.7Confident1 Ų158.7 Ų58.71%0.00531%0.308CS..Hα-helixtrans-69.6-39.8177.6-66.6163.2000110.7L1986 A1989 A2000 L2001 A2010 F2011 R2016 L2017 V2018L1986-I2014 HydrophobicContact CB-CD1 4.45Å; L1986-I2014 HydrophobicContact CG-CG1 4.41Å; A1989-I2014 HydrophobicContact CB-CG2 4.48Å; A2000-I2014 HydrophobicContact CB-CD1 4.11Å; A2000-I2014 HydrophobicContact CB-CG2 3.96Å; L2001-I2014 HydrophobicContact CD2-CB 4.2Å; L2001-I2014 HydrophobicContact CD2-CG2 3.7Å; L2001-I2014 HydrophobicContact CG-CG2 3.83Å; A2010-I2014 WeakPolarHBondContact O-CB 3.35Å; A2010-I2014 WeakPolarHBondContact O-CD1 3.36Å; A2010-I2014 VanDerWaalsContact O-CG1 3.25Å; A2010-I2014 WeakPolarHBondContact O-CG1 3.27Å; A2010-I2014 PolarHBondContact O-N 3.08Å; A2010-I2014 VanDerWaalsContact O-N 3.12Å; F2011-I2014 PolarHBondContact O-N 3.43Å; I2014-R2016 PolarHBondContact O-N 3.31Å; I2014-L2017 PolarHBondContact O-N 3.11Å; I2014-V2018 HydrophobicContact CG2-CG2 4.3Å; I2014-V2018 WeakPolarHBondContact O-CG2 3.34Å; I2014-V2018 PolarHBondContact O-N 2.9Å
2015Y89.2Confident83.2Confident23 Ų2361 Ų619%0.0933%0.332CS..Hα-helixtrans-58.2-48.4177171.5-100.8000112.1F2011 D2012 L2017 V2018 L2019 M2039 R2047 F2051F2011-Y2015 WeakPolarHBondContact O-CB 3.41Å; F2011-Y2015 PolarHBondContact O-N 3.43Å; D2012-Y2015 PolarHBondContact O-N 2.97Å; Y2015-L2017 VanDerWaalsContact C-N 3.33Å; Y2015-L2017 PolarHBondContact O-N 2.91Å; Y2015-V2018 PolarHBondContact O-N 2.91Å; Y2015-L2019 HydrophobicContact CE1-CD2 4.25Å; Y2015-L2019 WeakPolarHBondContact O-CB 3.48Å; Y2015-L2019 PolarHBondContact O-N 2.78Å; Y2015-M2039 HydrophobicContact CD2-CE 3.52Å; Y2015-M2039 HydrophobicContact CD2-SD 3.85Å; Y2015-M2039 HydrophobicContact CE2-CE 3.67Å; Y2015-M2039 HydrophobicContact CE2-SD 3.59Å; Y2015-M2039 VanDerWaalsContact CE2-SD 3.59Å; Y2015-R2047 HydrophobicContact CE2-CB 3.87Å; Y2015-R2047 HydrophobicContact CE2-CG 4.3Å; Y2015-F2051 HydrophobicContact CD2-CE2 4.13Å; Y2015-F2051 HydrophobicContact CD2-CZ 4.39Å; Y2015-F2051 AromaticContact CE2-CE2 3.69Å; Y2015-F2051 HydrophobicContact CE2-CE2 3.69Å; Y2015-F2051 HydrophobicContact CE2-CZ 4.13Å
2016R89Confident82.9Confident154 Ų15459.6 Ų59.658%0.58133%0.33SS*.Hα-helixtrans-61-41.5175.8-67.7178.4-160.4-1434.9111.9D2012 I2014 V2018 L2019 N2020D2012-R2016 WeakPolarHBondContact O-CG 3.48Å; D2012-R2016 PolarHBondContact O-N 2.94Å; D2012-R2016 IonicContact OD2-CZ 2.76Å; D2012-R2016 IonicContact OD2-NE 2.73Å; D2012-R2016 PolarHBondContact OD2-NE 3.11Å; D2012-R2016 IonicContact OD2-NH2 3.9Å; D2012-R2016 PolarHBondContact OD2-NH2 3.25Å; I2014-R2016 PolarHBondContact O-N 3.31Å; R2016-V2018 VanDerWaalsContact C-N 3.34Å; R2016-V2018 PolarHBondContact O-N 2.99Å; R2016-L2019 PolarHBondContact O-N 3.17Å; R2016-N2020 WeakPolarHBondContact O-CB 3.45Å; R2016-N2020 PolarHBondContact O-N 2.79Å; R2016-N2020 PolarHBondContact O-OD1 2.92Å; R2016-N2020 VanDerWaalsContact O-OD1 3.07Å
2017L87.4Confident83.3Confident51 Ų5151 Ų5127%0.26729%0.293SS..Hα-helixtrans-62.9-41179-155.4162.5000111.4A1990 P1993 A2013 I2014 Y2015 S2021A1990-L2017 HydrophobicContact CB-CD1 4.01Å; P1993-L2017 HydrophobicContact CB-CD2 3.69Å; P1993-L2017 HydrophobicContact CG-CD2 4.4Å; A2013-L2017 WeakPolarHBondContact O-CB 3.34Å; A2013-L2017 PolarHBondContact O-N 3.47Å; I2014-L2017 PolarHBondContact O-N 3.11Å; Y2015-L2017 VanDerWaalsContact C-N 3.33Å; Y2015-L2017 PolarHBondContact O-N 2.91Å; L2017-S2021 WeakPolarHBondContact O-CB 3.34Å; L2017-S2021 PolarHBondContact O-N 3.29Å; L2017-S2021 PolarHBondContact O-OG 3.21Å
2018V88.4Confident83.3Confident2 Ų250.7 Ų50.71%0.01230%0.299CS..Hα-helixtrans-70.8-37.8175177.30000112I2014 Y2015 R2016 S2021 A2022 L2027 L2035 F2051I2014-V2018 HydrophobicContact CG2-CG2 4.3Å; I2014-V2018 WeakPolarHBondContact O-CG2 3.34Å; I2014-V2018 PolarHBondContact O-N 2.9Å; Y2015-V2018 PolarHBondContact O-N 2.91Å; R2016-V2018 VanDerWaalsContact C-N 3.34Å; R2016-V2018 PolarHBondContact O-N 2.99Å; V2018-S2021 CarbonylContact O-C 3.54Å; V2018-S2021 WeakPolarHBondContact O-CB 3.33Å; V2018-S2021 PolarHBondContact O-N 2.93Å; V2018-A2022 PolarHBondContact O-N 2.93Å; V2018-L2027 HydrophobicContact CG1-CD1 4.08Å; V2018-L2035 HydrophobicContact CG1-CD1 3.75Å; V2018-L2035 HydrophobicContact CG1-CD2 4.06Å; V2018-F2051 HydrophobicContact CB-CZ 4.46Å; V2018-F2051 HydrophobicContact CG1-CE1 4.05Å; V2018-F2051 HydrophobicContact CG1-CZ 3.85Å
2019L88.1Confident83.3Confident26 Ų2647.7 Ų47.714%0.13628%0.28CS..Hα-helixtrans-65.7-47.3177.2-173.363.2000111.8Y2015 R2016 S2021 A2022 E2023 P2050 F2051Y2015-L2019 HydrophobicContact CE1-CD2 4.25Å; Y2015-L2019 WeakPolarHBondContact O-CB 3.48Å; Y2015-L2019 PolarHBondContact O-N 2.78Å; R2016-L2019 PolarHBondContact O-N 3.17Å; L2019-S2021 PolarHBondContact O-N 3.05Å; L2019-A2022 WeakPolarHBondContact O-CA 3.47Å; L2019-A2022 VanDerWaalsContact O-CB 3.3Å; L2019-A2022 WeakPolarHBondContact O-CB 3.28Å; L2019-A2022 PolarHBondContact O-N 3.39Å; L2019-E2023 PolarHBondContact O-N 2.99Å; L2019-P2050 HydrophobicContact CD1-CB 4.02Å; L2019-F2051 HydrophobicContact CB-CE1 4.4Å; L2019-F2051 HydrophobicContact CB-CZ 4.36Å; L2019-F2051 HydrophobicContact CD1-CD1 4.3Å; L2019-F2051 HydrophobicContact CD1-CE1 3.89Å; L2019-F2051 HydrophobicContact CD1-CZ 4.26Å
2020N87.2Confident83.3Confident93 Ų9346.1 Ų46.150%0.49727%0.271SS..Hα-helixtrans-59-32.2173.4-64.211.5000111.8R2016 A2022 T2024R2016-N2020 WeakPolarHBondContact O-CB 3.45Å; R2016-N2020 PolarHBondContact O-N 2.79Å; R2016-N2020 PolarHBondContact O-OD1 2.92Å; R2016-N2020 VanDerWaalsContact O-OD1 3.07Å; N2020-A2022 VanDerWaalsContact C-N 3.34Å; N2020-T2024 WeakPolarHBondContact O-CB 3.35Å; N2020-T2024 WeakPolarHBondContact O-CG2 3.41Å; N2020-T2024 PolarHBondContact O-N 3.19Å; N2020-T2024 PolarHBondContact O-OG1 2.73Å
2021S83.7Confident83.4Confident16 Ų1649.5 Ų49.511%0.11229%0.286CS..Hα-helixtrans-73.8-21.9174.8-56.20000113.5P1993 L2017 V2018 L2019 T2024 G2026P1993-S2021 WeakPolarHBondContact CB-OG 3.46Å; L2017-S2021 WeakPolarHBondContact O-CB 3.34Å; L2017-S2021 PolarHBondContact O-N 3.29Å; L2017-S2021 PolarHBondContact O-OG 3.21Å; V2018-S2021 CarbonylContact O-C 3.54Å; V2018-S2021 WeakPolarHBondContact O-CB 3.33Å; V2018-S2021 PolarHBondContact O-N 2.93Å; L2019-S2021 PolarHBondContact O-N 3.05Å; S2021-T2024 WeakPolarHBondContact CA-OG1 3.49Å; S2021-G2026 WeakPolarHBondContact O-CA 3.44Å; S2021-G2026 PolarHBondContact O-N 3.33Å
2022A84.6Confident83.5Confident3 Ų348.9 Ų48.93%0.02528%0.283CS..Hα-helixtrans-80.7-45.8172.200000111.4V2018 L2019 N2020 T2024 G2025 L2027 L2032 F2051V2018-A2022 PolarHBondContact O-N 2.93Å; L2019-A2022 WeakPolarHBondContact O-CA 3.47Å; L2019-A2022 VanDerWaalsContact O-CB 3.3Å; L2019-A2022 WeakPolarHBondContact O-CB 3.28Å; L2019-A2022 PolarHBondContact O-N 3.39Å; N2020-A2022 VanDerWaalsContact C-N 3.34Å; A2022-T2024 VanDerWaalsContact C-N 3.3Å; A2022-T2024 PolarHBondContact O-N 3.1Å; A2022-G2025 PolarHBondContact O-N 3.45Å; A2022-L2027 HydrophobicContact CB-CD1 4.11Å; A2022-L2032 HydrophobicContact CB-CD2 3.46Å; A2022-L2032 VanDerWaalsContact CB-CD2 3.46Å; A2022-F2051 HydrophobicContact CB-CD1 4.1Å; A2022-F2051 HydrophobicContact CB-CE1 4.01Å
2023E82.3Confident83.6Confident111 Ų11147.5 Ų47.552%0.51928%0.276SS..Hα-helixtrans-61.6-37.3178.9-70.4175.3-169.700112.5L2019 G2025L2019-E2023 PolarHBondContact O-N 2.99Å; E2023-G2025 PolarHBondContact O-N 2.97Å
2024T81.3Confident83.6Confident116 Ų11648.1 Ų48.171%0.71228%0.277SS*.THydrogen-bonded Turntrans-76.71.8175.150.10000114.3N2020 S2021 A2022 G2026N2020-T2024 WeakPolarHBondContact O-CB 3.35Å; N2020-T2024 WeakPolarHBondContact O-CG2 3.41Å; N2020-T2024 PolarHBondContact O-N 3.19Å; N2020-T2024 PolarHBondContact O-OG1 2.73Å; S2021-T2024 WeakPolarHBondContact CA-OG1 3.49Å; A2022-T2024 VanDerWaalsContact C-N 3.3Å; A2022-T2024 PolarHBondContact O-N 3.1Å; T2024-G2026 VanDerWaalsContact C-N 3.31Å; T2024-G2026 PolarHBondContact O-N 3.16Å
2025G71.5Confident83.6Confident52 Ų5248.2 Ų48.254%0.53628%0.277SS..THydrogen-bonded Turntrans75.213.2177.800000115.1A2022 E2023 L2027A2022-G2025 PolarHBondContact O-N 3.45Å; E2023-G2025 PolarHBondContact O-N 2.97Å; G2025-L2027 VanDerWaalsContact C-N 3.26Å; G2025-L2027 PolarHBondContact O-N 2.87Å
2026G72.5Confident83.6Confident35 Ų3547.1 Ų47.136%0.36127%0.273SS..  trans-73.8-11.6179.200000114.9I1994 S2021 T2024I1994-G2026 VanDerWaalsContact CD1-O 3.24Å; I1994-G2026 WeakPolarHBondContact CD1-O 3.33Å; I1994-G2026 WeakPolarHBondContact CG1-O 3.37Å; S2021-G2026 WeakPolarHBondContact O-CA 3.44Å; S2021-G2026 PolarHBondContact O-N 3.33Å; T2024-G2026 VanDerWaalsContact C-N 3.31Å; T2024-G2026 PolarHBondContact O-N 3.16Å
2027L80.7Confident83.4Confident4 Ų445 Ų452%0.02127%0.265CS..SBendtrans-116.2130.6-178.7-71.4167.3000110.9I1994 V2018 A2022 G2025 Q2031 L2032 L2035I1994-L2027 HydrophobicContact CB-CD2 4.44Å; I1994-L2027 HydrophobicContact CG1-CD2 4.39Å; I1994-L2027 HydrophobicContact CG2-CD2 4.26Å; V2018-L2027 HydrophobicContact CG1-CD1 4.08Å; A2022-L2027 HydrophobicContact CB-CD1 4.11Å; G2025-L2027 VanDerWaalsContact C-N 3.26Å; G2025-L2027 PolarHBondContact O-N 2.87Å; L2027-Q2031 HydrophobicContact CD2-CB 4.41Å; L2027-L2032 HydrophobicContact CB-CD2 3.72Å; L2027-L2032 HydrophobicContact CB-CG 3.97Å; L2027-L2032 HydrophobicContact CD1-CD2 3.99Å; L2027-L2035 HydrophobicContact CD1-CD1 4.04Å
2028G78.9Confident83.3Confident31 Ų3144.4 Ų44.432%0.3226%0.26SS..  trans-76.7156.617900000113.1I2030 Q2031 L2032G2028-I2030 VanDerWaalsContact C-N 3.28Å; G2028-I2030 PolarHBondContact O-N 3.11Å; G2028-I2030 VanDerWaalsContact O-N 3.14Å; G2028-Q2031 WeakPolarHBondContact O-CA 3.23Å; G2028-Q2031 WeakPolarHBondContact O-CB 3.4Å; G2028-Q2031 PolarHBondContact O-N 2.98Å; G2028-L2032 PolarHBondContact O-N 3.39Å
2029P78.5Confident83.2Confident43 Ų4344.3 Ų44.328%0.27926%0.259SS..Hα-helixtrans-56.5-35.9-173.718.8-31.1000114.1Q2031 L2032 F2033 A2055 L2058P2029-Q2031 VanDerWaalsContact C-N 3.35Å; P2029-Q2031 PolarHBondContact O-N 3.49Å; P2029-L2032 PolarHBondContact O-N 2.93Å; P2029-F2033 VanDerWaalsContact O-CD2 3.3Å; P2029-F2033 WeakPolarHBondContact O-CD2 3.44Å; P2029-F2033 PolarHBondContact O-N 3.45Å; P2029-A2055 HydrophobicContact CB-CB 4.46Å; P2029-L2058 HydrophobicContact CB-CB 4.21Å; P2029-L2058 HydrophobicContact CG-CB 4.32Å
2030I80.7Confident83.2Confident107 Ų10744 Ų4455%0.54926%0.258SS..Hα-helixtrans-65.1-37.8176-59.6171.7000111.5G2028 S2034G2028-I2030 VanDerWaalsContact C-N 3.28Å; G2028-I2030 PolarHBondContact O-N 3.11Å; G2028-I2030 VanDerWaalsContact O-N 3.14Å; I2030-S2034 WeakPolarHBondContact O-CB 3.48Å; I2030-S2034 PolarHBondContact O-N 3.49Å; I2030-S2034 PolarHBondContact O-OG 3.22Å
2031Q83.2Confident83Confident82 Ų8246.3 Ų46.338%0.38327%0.27SS..Hα-helixtrans-70.5-37.9176.5-64.4170.6-33.200110.8L2027 G2028 P2029 S2034 L2035L2027-Q2031 HydrophobicContact CD2-CB 4.41Å; G2028-Q2031 WeakPolarHBondContact O-CA 3.23Å; G2028-Q2031 WeakPolarHBondContact O-CB 3.4Å; G2028-Q2031 PolarHBondContact O-N 2.98Å; P2029-Q2031 VanDerWaalsContact C-N 3.35Å; P2029-Q2031 PolarHBondContact O-N 3.49Å; Q2031-S2034 WeakPolarHBondContact O-CB 3.32Å; Q2031-S2034 PolarHBondContact O-N 3.04Å; Q2031-L2035 WeakPolarHBondContact O-CB 3.49Å; Q2031-L2035 PolarHBondContact O-N 3.48Å
2032L88.8Confident82.7Confident0 Ų048 Ų480%028%0.281CS..Hα-helixtrans-67.5-44.4176.5-66172.9000112.3A2022 L2027 G2028 P2029 S2034 L2035 A2036 F2051 H2054 A2055 L2058A2022-L2032 HydrophobicContact CB-CD2 3.46Å; A2022-L2032 VanDerWaalsContact CB-CD2 3.46Å; L2027-L2032 HydrophobicContact CB-CD2 3.72Å; L2027-L2032 HydrophobicContact CB-CG 3.97Å; L2027-L2032 HydrophobicContact CD1-CD2 3.99Å; G2028-L2032 PolarHBondContact O-N 3.39Å; P2029-L2032 PolarHBondContact O-N 2.93Å; L2032-S2034 VanDerWaalsContact C-N 3.3Å; L2032-S2034 PolarHBondContact O-N 2.97Å; L2032-L2035 PolarHBondContact O-N 3.19Å; L2032-A2036 WeakPolarHBondContact O-CB 3.35Å; L2032-A2036 PolarHBondContact O-N 3.42Å; L2032-F2051 HydrophobicContact CD2-CD1 3.91Å; L2032-H2054 HydrophobicContact CD1-CB 4.29Å; L2032-A2055 HydrophobicContact CB-CB 3.79Å; L2032-L2058 HydrophobicContact CD1-CD1 3.64Å
2033F87.8Confident82.4Confident4 Ų450.4 Ų50.42%0.01831%0.307CS..Hα-helixtrans-62.9-36.2171.2-76.5-54.4000112.3P2029 A2036 R2037 A2055 T2056 F2059 V2070 D2073 W2076 A2077P2029-F2033 VanDerWaalsContact O-CD2 3.3Å; P2029-F2033 WeakPolarHBondContact O-CD2 3.44Å; P2029-F2033 PolarHBondContact O-N 3.45Å; F2033-A2036 PolarHBondContact O-N 3.05Å; F2033-R2037 WeakPolarHBondContact O-CB 3.43Å; F2033-R2037 WeakPolarHBondContact O-CG 3.36Å; F2033-R2037 PolarHBondContact O-N 3.07Å; F2033-A2055 HydrophobicContact CD1-CB 3.73Å; F2033-A2055 HydrophobicContact CD2-CB 3.69Å; F2033-A2055 HydrophobicContact CE1-CB 3.61Å; F2033-A2055 HydrophobicContact CE2-CB 3.58Å; F2033-A2055 HydrophobicContact CG-CB 3.76Å; F2033-A2055 HydrophobicContact CZ-CB 3.54Å; F2033-T2056 HydrophobicContact CE1-CG2 4.33Å; F2033-T2056 HydrophobicContact CZ-CG2 3.99Å; F2033-F2059 HydrophobicContact CE2-CD1 4.44Å; F2033-F2059 AromaticContact CE2-CE1 3.88Å; F2033-F2059 HydrophobicContact CE2-CE1 3.88Å; F2033-F2059 AromaticContact CZ-CE1 3.91Å; F2033-F2059 HydrophobicContact CZ-CE1 3.91Å; F2033-V2070 HydrophobicContact CE2-CG1 3.98Å; F2033-D2073 HydrophobicContact CD1-CB 4.04Å; F2033-D2073 HydrophobicContact CD2-CB 3.79Å; F2033-D2073 HydrophobicContact CE1-CB 4.09Å; F2033-D2073 HydrophobicContact CE2-CB 3.83Å; F2033-D2073 HydrophobicContact CG-CB 3.9Å; F2033-D2073 HydrophobicContact CZ-CB 3.98Å; F2033-W2076 HydrophobicContact CD1-CZ3 4.17Å; F2033-A2077 HydrophobicContact CE1-CB 4.04Å
2034S85.5Confident82.4Confident56 Ų5649.1 Ų49.139%0.39230%0.297SS..Hα-helixtrans-65-42.3174.5-59.40000112.5I2030 Q2031 L2032 Y2038I2030-S2034 WeakPolarHBondContact O-CB 3.48Å; I2030-S2034 PolarHBondContact O-N 3.49Å; I2030-S2034 PolarHBondContact O-OG 3.22Å; Q2031-S2034 WeakPolarHBondContact O-CB 3.32Å; Q2031-S2034 PolarHBondContact O-N 3.04Å; L2032-S2034 VanDerWaalsContact C-N 3.3Å; L2032-S2034 PolarHBondContact O-N 2.97Å; S2034-Y2038 WeakPolarHBondContact O-CB 3.25Å; S2034-Y2038 PolarHBondContact O-N 3.19Å
2035L86.8Confident82.5Confident3 Ų345.5 Ų45.52%0.01628%0.275CS..Hα-helixtrans-63.2-44.5172.7-85.7158.1000111.6L1998 L2001 V2018 L2027 Q2031 L2032 Y2038 M2039 F2051L1998-L2035 HydrophobicContact CD1-CD2 3.86Å; L1998-L2035 HydrophobicContact CD1-CG 4.14Å; L2001-L2035 HydrophobicContact CD1-CD2 3.7Å; V2018-L2035 HydrophobicContact CG1-CD1 3.75Å; V2018-L2035 HydrophobicContact CG1-CD2 4.06Å; L2027-L2035 HydrophobicContact CD1-CD1 4.04Å; Q2031-L2035 WeakPolarHBondContact O-CB 3.49Å; Q2031-L2035 PolarHBondContact O-N 3.48Å; L2032-L2035 PolarHBondContact O-N 3.19Å; L2035-Y2038 PolarHBondContact O-N 3.13Å; L2035-M2039 WeakPolarHBondContact O-CG 3.36Å; L2035-M2039 PolarHBondContact O-N 3.4Å; L2035-F2051 HydrophobicContact CB-CD2 4.17Å; L2035-F2051 HydrophobicContact CB-CG 4.24Å
2036A88.6Confident83.1Confident0 Ų051.5 Ų51.50%028%0.281CS..Hα-helixtrans-62.2-49.7178.400000111.7L2032 F2033 Y2038 M2039 D2040 A2048 F2051 A2052 W2076L2032-A2036 WeakPolarHBondContact O-CB 3.35Å; L2032-A2036 PolarHBondContact O-N 3.42Å; F2033-A2036 PolarHBondContact O-N 3.05Å; A2036-Y2038 VanDerWaalsContact C-N 3.32Å; A2036-Y2038 PolarHBondContact O-N 3.25Å; A2036-M2039 PolarHBondContact O-N 3.07Å; A2036-D2040 PolarHBondContact O-N 3.33Å; A2036-A2048 WeakPolarHBondContact CB-O 3.17Å; A2036-A2048 VanDerWaalsContact O-CB 3.25Å; A2036-A2048 WeakPolarHBondContact O-CB 3.46Å; A2036-F2051 HydrophobicContact CB-CB 3.87Å; A2036-A2052 HydrophobicContact CB-CB 3.99Å; A2036-W2076 HydrophobicContact CB-CH2 3.67Å; A2036-W2076 HydrophobicContact CB-CZ3 4.04Å
2037R86Confident83.8Confident111 Ų11153.6 Ų53.642%0.41928%0.278SS..Hα-helixtrans-60.8-38.7175.2-73.2-171.7-173-149.99.8112.3F2033 M2039 D2040 N2041 D2073 W2076F2033-R2037 WeakPolarHBondContact O-CB 3.43Å; F2033-R2037 WeakPolarHBondContact O-CG 3.36Å; F2033-R2037 PolarHBondContact O-N 3.07Å; R2037-M2039 VanDerWaalsContact C-N 3.35Å; R2037-M2039 PolarHBondContact O-N 2.83Å; R2037-D2040 PolarHBondContact O-N 3.09Å; R2037-N2041 WeakPolarHBondContact O-CB 3.4Å; R2037-N2041 PolarHBondContact O-N 3.04Å; R2037-N2041 PolarHBondContact O-OD1 3.07Å; R2037-D2073 IonicContact CZ-OD1 3.68Å; R2037-D2073 IonicContact NE-OD1 3.64Å; R2037-D2073 PolarHBondContact NE-OD1 3.45Å; R2037-D2073 IonicContact NH2-OD1 3.17Å; R2037-D2073 PolarHBondContact NH2-OD1 2.69Å; R2037-W2076 HydrophobicContact CB-CZ2 4.47Å; R2037-W2076 HydrophobicContact CG-CD2 4.31Å; R2037-W2076 HydrophobicContact CG-CE3 4.34Å; R2037-W2076 HydrophobicContact CG-CH2 3.92Å; R2037-W2076 HydrophobicContact CG-CZ2 3.85Å; R2037-W2076 HydrophobicContact CG-CZ3 4.17Å
2038Y84.2Confident84.2Confident38 Ų3853.4 Ų53.415%0.14928%0.277CS..Hα-helixtrans-60.8-43174.9173.7-100000111.7L1998 L2001 N2002 S2034 L2035 A2036 C2042L1998-Y2038 HydrophobicContact CD1-CD1 4.15Å; L1998-Y2038 HydrophobicContact CD1-CG 3.92Å; L1998-Y2038 HydrophobicContact CG-CG 4.4Å; L2001-Y2038 HydrophobicContact CB-CE1 4.26Å; N2002-Y2038 VanDerWaalsContact CA-OH 3.3Å; N2002-Y2038 WeakPolarHBondContact CA-OH 3.4Å; N2002-Y2038 WeakPolarHBondContact CB-OH 3.43Å; N2002-Y2038 PolarHBondContact OD1-OH 3.37Å; N2002-Y2038 VanDerWaalsContact OD1-OH 3.13Å; S2034-Y2038 WeakPolarHBondContact O-CB 3.25Å; S2034-Y2038 PolarHBondContact O-N 3.19Å; L2035-Y2038 PolarHBondContact O-N 3.13Å; A2036-Y2038 VanDerWaalsContact C-N 3.32Å; A2036-Y2038 PolarHBondContact O-N 3.25Å; Y2038-C2042 PolarHBondContact O-N 3.38Å; Y2038-C2042 VanDerWaalsContact O-N 3.1Å; Y2038-C2042 PolarHBondContact O-SG 2.72Å
2039M86.9Confident84.8Confident0 Ų052.9 Ų52.90%027%0.266CS..Hα-helixtrans-73.1-35177.6-64.1-162.199.400113.9F2011 Y2015 L2035 A2036 R2037 C2042 G2043 W2044 R2047 A2048 F2051F2011-M2039 HydrophobicContact CE1-CE 4.03Å; F2011-M2039 HydrophobicContact CZ-CE 3.68Å; Y2015-M2039 HydrophobicContact CD2-CE 3.52Å; Y2015-M2039 HydrophobicContact CD2-SD 3.85Å; Y2015-M2039 HydrophobicContact CE2-CE 3.67Å; Y2015-M2039 HydrophobicContact CE2-SD 3.59Å; Y2015-M2039 VanDerWaalsContact CE2-SD 3.59Å; L2035-M2039 WeakPolarHBondContact O-CG 3.36Å; L2035-M2039 PolarHBondContact O-N 3.4Å; A2036-M2039 PolarHBondContact O-N 3.07Å; R2037-M2039 VanDerWaalsContact C-N 3.35Å; R2037-M2039 PolarHBondContact O-N 2.83Å; M2039-C2042 PolarHBondContact O-N 3.46Å; M2039-G2043 PolarHBondContact O-N 3.2Å; M2039-W2044 HydrophobicContact CE-CE3 3.87Å; M2039-W2044 HydrophobicContact CE-CZ3 4.49Å; M2039-W2044 WeakPolarHBondContact O-CA 3.38Å; M2039-W2044 PolarHBondContact O-N 3.1Å; M2039-R2047 HydrophobicContact CE-CB 3.62Å; M2039-R2047 HydrophobicContact CE-CG 4.37Å; M2039-R2047 HydrophobicContact SD-CB 3.81Å; M2039-A2048 HydrophobicContact CB-CB 3.89Å; M2039-F2051 HydrophobicContact SD-CD2 3.99Å; M2039-F2051 HydrophobicContact SD-CE2 3.66Å
2040D87.3Confident85.4Confident20 Ų2052.5 Ų52.511%0.10726%0.264CS..Hα-helixtrans-62.2-44.8172.6-168.435000110.3A2036 R2037 C2042 G2043 T2045 A2048 W2076 R2083A2036-D2040 PolarHBondContact O-N 3.33Å; R2037-D2040 PolarHBondContact O-N 3.09Å; D2040-C2042 VanDerWaalsContact C-N 3.28Å; D2040-C2042 PolarHBondContact O-N 2.95Å; D2040-G2043 PolarHBondContact O-N 3.38Å; D2040-T2045 WeakPolarHBondContact OD1-CG2 3.5Å; D2040-A2048 HydrophobicContact CB-CB 4.19Å; D2040-W2076 HydrophobicContact CB-CZ2 3.83Å; D2040-W2076 WeakPolarHBondContact OD2-CZ2 3.38Å; D2040-W2076 PolarHBondContact OD2-NE1 2.9Å; D2040-R2083 IonicContact OD1-CZ 3.04Å; D2040-R2083 IonicContact OD1-NH1 3.22Å; D2040-R2083 PolarHBondContact OD1-NH1 3.43Å; D2040-R2083 IonicContact OD1-NH2 3.52Å; D2040-R2083 PolarHBondContact OD1-NH2 3.43Å; D2040-R2083 IonicContact OD2-CZ 2.75Å; D2040-R2083 IonicContact OD2-NH1 3.35Å; D2040-R2083 PolarHBondContact OD2-NH1 3.42Å; D2040-R2083 IonicContact OD2-NH2 2.77Å; D2040-R2083 PolarHBondContact OD2-NH2 2.98Å
2041N82.7Confident85.9Confident140 Ų14047.4 Ų47.475%0.74924%0.238SC*.Hα-helixtrans-64.8-27.8175.2-70.8-2.7000113.6R2037 G2043R2037-N2041 WeakPolarHBondContact O-CB 3.4Å; R2037-N2041 PolarHBondContact O-N 3.04Å; R2037-N2041 PolarHBondContact O-OD1 3.07Å; N2041-G2043 PolarHBondContact O-N 3.4Å
2042C77.6Confident86.2Confident51 Ų5143.5 Ų43.535%0.34522%0.22SC..THydrogen-bonded Turntrans-81.75.7171.5-68.80000113.5Y2038 M2039 D2040 W2044Y2038-C2042 PolarHBondContact O-N 3.38Å; Y2038-C2042 VanDerWaalsContact O-N 3.1Å; Y2038-C2042 PolarHBondContact O-SG 2.72Å; M2039-C2042 PolarHBondContact O-N 3.46Å; D2040-C2042 VanDerWaalsContact C-N 3.28Å; D2040-C2042 PolarHBondContact O-N 2.95Å; C2042-W2044 VanDerWaalsContact C-N 3.3Å; C2042-W2044 HydrophobicContact CB-CD2 3.85Å; C2042-W2044 HydrophobicContact CB-CE3 3.35Å; C2042-W2044 HydrophobicContact CB-CH2 4.05Å; C2042-W2044 HydrophobicContact CB-CZ2 4.46Å; C2042-W2044 HydrophobicContact CB-CZ3 3.45Å; C2042-W2044 VanDerWaalsContact CB-CZ3 3.45Å; C2042-W2044 PolarHBondContact O-N 2.92Å
2043G78.4Confident86.3Confident55 Ų5544 Ų4457%0.56722%0.222SC*.THydrogen-bonded Turntrans79.73.2-17900000114.9M2039 D2040 N2041 T2045M2039-G2043 PolarHBondContact O-N 3.2Å; D2040-G2043 PolarHBondContact O-N 3.38Å; N2041-G2043 PolarHBondContact O-N 3.4Å; G2043-T2045 VanDerWaalsContact C-N 3.34Å; G2043-T2045 PolarHBondContact O-N 2.95Å
2044W83.5Confident86.3Confident83 Ų8345.9 Ų45.931%0.31423%0.231SC..  trans-94.854.4-177.5-54.3-43.7000112.2V2005 F2011 M2039 C2042 W2046 R2047 A2048V2005-W2044 HydrophobicContact CG1-CH2 4.12Å; V2005-W2044 HydrophobicContact CG2-CH2 4.32Å; F2011-W2044 HydrophobicContact CE1-CE3 4.37Å; F2011-W2044 HydrophobicContact CE1-CH2 4.21Å; F2011-W2044 HydrophobicContact CE1-CZ3 4.08Å; F2011-W2044 AromaticContact CE2-CH2 3.76Å; F2011-W2044 HydrophobicContact CE2-CH2 3.76Å; F2011-W2044 AromaticContact CE2-CZ3 3.62Å; F2011-W2044 HydrophobicContact CE2-CZ3 3.62Å; F2011-W2044 AromaticContact CZ-CE3 3.74Å; F2011-W2044 HydrophobicContact CZ-CE3 3.74Å; F2011-W2044 AromaticContact CZ-CH2 3.57Å; F2011-W2044 HydrophobicContact CZ-CH2 3.57Å; F2011-W2044 HydrophobicContact CZ-CZ2 4.4Å; F2011-W2044 AromaticContact CZ-CZ3 3.2Å; F2011-W2044 HydrophobicContact CZ-CZ3 3.2Å; M2039-W2044 HydrophobicContact CE-CE3 3.87Å; M2039-W2044 HydrophobicContact CE-CZ3 4.49Å; M2039-W2044 WeakPolarHBondContact O-CA 3.38Å; M2039-W2044 PolarHBondContact O-N 3.1Å; C2042-W2044 VanDerWaalsContact C-N 3.3Å; C2042-W2044 HydrophobicContact CB-CD2 3.85Å; C2042-W2044 HydrophobicContact CB-CE3 3.35Å; C2042-W2044 HydrophobicContact CB-CH2 4.05Å; C2042-W2044 HydrophobicContact CB-CZ2 4.46Å; C2042-W2044 HydrophobicContact CB-CZ3 3.45Å; C2042-W2044 VanDerWaalsContact CB-CZ3 3.45Å; C2042-W2044 PolarHBondContact O-N 2.92Å; W2044-W2046 VanDerWaalsContact C-N 3.25Å; W2044-W2046 PolarHBondContact O-N 2.91Å; W2044-W2046 VanDerWaalsContact O-N 3.15Å; W2044-R2047 HydrophobicContact CB-CB 4.1Å; W2044-R2047 HydrophobicContact CB-CG 4.47Å; W2044-R2047 CarbonylContact O-C 3.38Å; W2044-R2047 WeakPolarHBondContact O-CA 3Å; W2044-R2047 PolarHBondContact O-N 3.49Å; W2044-A2048 PolarHBondContact O-N 3.31Å
2045T82.8Confident86.4Confident40 Ų4043.2 Ų43.225%0.24521%0.212CC..Hα-helixtrans-44.3-46.3179.253.40000113.4D2040 G2043 R2047 A2048 F2049 L2080D2040-T2045 WeakPolarHBondContact OD1-CG2 3.5Å; G2043-T2045 VanDerWaalsContact C-N 3.34Å; G2043-T2045 PolarHBondContact O-N 2.95Å; T2045-R2047 PolarHBondContact O-N 3.38Å; T2045-A2048 WeakPolarHBondContact O-CB 3.45Å; T2045-A2048 PolarHBondContact O-N 3.23Å; T2045-F2049 PolarHBondContact O-N 3.48Å; T2045-F2049 VanDerWaalsContact O-N 3.16Å; T2045-L2080 HydrophobicContact CG2-CD1 4.46Å
2046W84.5Confident86.3Confident178 Ų17843.1 Ų43.167%0.67421%0.212SC*.Hα-helixtrans-65.5-31.1177.8-72.6104000114.4W2044 P2050 L2084W2044-W2046 VanDerWaalsContact C-N 3.25Å; W2044-W2046 PolarHBondContact O-N 2.91Å; W2044-W2046 VanDerWaalsContact O-N 3.15Å; W2046-P2050 WeakPolarHBondContact O-CD 3.48Å; W2046-L2084 HydrophobicContact CD2-CD2 3.59Å; W2046-L2084 HydrophobicContact CE3-CD2 3.93Å; W2046-L2084 HydrophobicContact CG-CD2 4.01Å; W2046-L2084 HydrophobicContact CH2-CB 4.49Å; W2046-L2084 HydrophobicContact CH2-CD2 4.18Å; W2046-L2084 HydrophobicContact CZ2-CD2 3.88Å; W2046-L2084 HydrophobicContact CZ3-CD2 4.21Å
2047R87Confident86.1Confident79 Ų7947.5 Ų47.530%0.29823%0.228SC..Hα-helixtrans-84.2-20.5173.9-65.7-173.7176.7-1224.7112.5D2012 Y2015 M2039 W2044 T2045D2012-R2047 IonicContact OD1-CZ 2.98Å; D2012-R2047 VanDerWaalsContact OD1-CZ 3.25Å; D2012-R2047 IonicContact OD1-NH1 3.41Å; D2012-R2047 PolarHBondContact OD1-NH1 3.07Å; D2012-R2047 IonicContact OD1-NH2 3.91Å; D2012-R2047 PolarHBondContact OD1-NH2 2.85Å; Y2015-R2047 HydrophobicContact CE2-CB 3.87Å; Y2015-R2047 HydrophobicContact CE2-CG 4.3Å; M2039-R2047 HydrophobicContact CE-CB 3.62Å; M2039-R2047 HydrophobicContact CE-CG 4.37Å; M2039-R2047 HydrophobicContact SD-CB 3.81Å; W2044-R2047 HydrophobicContact CB-CB 4.1Å; W2044-R2047 HydrophobicContact CB-CG 4.47Å; W2044-R2047 CarbonylContact O-C 3.38Å; W2044-R2047 WeakPolarHBondContact O-CA 3Å; W2044-R2047 PolarHBondContact O-N 3.49Å; T2045-R2047 PolarHBondContact O-N 3.38Å
2048A88.9Confident85.8Confident0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-73.4-36.5173.200000113A2036 M2039 D2040 W2044 T2045 F2051 A2052 L2080A2036-A2048 WeakPolarHBondContact CB-O 3.17Å; A2036-A2048 VanDerWaalsContact O-CB 3.25Å; A2036-A2048 WeakPolarHBondContact O-CB 3.46Å; M2039-A2048 HydrophobicContact CB-CB 3.89Å; D2040-A2048 HydrophobicContact CB-CB 4.19Å; W2044-A2048 PolarHBondContact O-N 3.31Å; T2045-A2048 WeakPolarHBondContact O-CB 3.45Å; T2045-A2048 PolarHBondContact O-N 3.23Å; A2048-F2051 PolarHBondContact O-N 3.12Å; A2048-A2052 PolarHBondContact O-N 2.82Å; A2048-A2052 VanDerWaalsContact O-N 3.11Å; A2048-L2080 HydrophobicContact CB-CD2 4.14Å
2049F91.8Very high85.4Confident20 Ų2046 Ų469%0.08823%0.23CC..Hα-helixtrans-58.4-44.5-173.1-176.4-105.2000114.9T2045 F2051 A2052 L2053 L2084 A2088 I2092T2045-F2049 PolarHBondContact O-N 3.48Å; T2045-F2049 VanDerWaalsContact O-N 3.16Å; F2049-F2051 VanDerWaalsContact C-N 3.32Å; F2049-F2051 PolarHBondContact O-N 2.81Å; F2049-A2052 PolarHBondContact O-N 2.93Å; F2049-L2053 HydrophobicContact CE1-CB 4.49Å; F2049-L2053 HydrophobicContact CE1-CD2 4.01Å; F2049-L2053 HydrophobicContact CZ-CD1 4.45Å; F2049-L2053 HydrophobicContact CZ-CD2 4.4Å; F2049-L2053 VanDerWaalsContact O-CB 3.3Å; F2049-L2053 WeakPolarHBondContact O-CB 3.3Å; F2049-L2053 PolarHBondContact O-N 3.46Å; F2049-L2084 HydrophobicContact CB-CD1 3.55Å; F2049-L2084 HydrophobicContact CD2-CD1 3.7Å; F2049-L2084 HydrophobicContact CG-CD1 3.74Å; F2049-A2088 HydrophobicContact CE1-CB 4.25Å; F2049-A2088 HydrophobicContact CE2-CB 3.94Å; F2049-A2088 HydrophobicContact CZ-CB 3.78Å; F2049-I2092 HydrophobicContact CE2-CB 4.44Å
2050P89.9Confident84.8Confident36 Ų3651 Ų5123%0.23426%0.26CS..Hα-helixtrans-56.2-43.4175.9-2735.7000113L2019 W2046 L2053 H2054L2019-P2050 HydrophobicContact CD1-CB 4.02Å; W2046-P2050 WeakPolarHBondContact O-CD 3.48Å; P2050-L2053 PolarHBondContact O-N 3.02Å; P2050-H2054 WeakPolarHBondContact O-CB 3.11Å; P2050-H2054 PolarHBondContact O-CD2 3.4Å; P2050-H2054 VanDerWaalsContact O-CD2 3.26Å; P2050-H2054 PolarHBondContact O-N 2.99Å
2051F90.7Very high84.1Confident0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-66.1-41.5177.4-67.4-53.8000112.3Y2015 V2018 L2019 A2022 L2032 L2035 A2036 M2039 A2048 F2049 A2055Y2015-F2051 HydrophobicContact CD2-CE2 4.13Å; Y2015-F2051 HydrophobicContact CD2-CZ 4.39Å; Y2015-F2051 AromaticContact CE2-CE2 3.69Å; Y2015-F2051 HydrophobicContact CE2-CE2 3.69Å; Y2015-F2051 HydrophobicContact CE2-CZ 4.13Å; V2018-F2051 HydrophobicContact CB-CZ 4.46Å; V2018-F2051 HydrophobicContact CG1-CE1 4.05Å; V2018-F2051 HydrophobicContact CG1-CZ 3.85Å; L2019-F2051 HydrophobicContact CB-CE1 4.4Å; L2019-F2051 HydrophobicContact CB-CZ 4.36Å; L2019-F2051 HydrophobicContact CD1-CD1 4.3Å; L2019-F2051 HydrophobicContact CD1-CE1 3.89Å; L2019-F2051 HydrophobicContact CD1-CZ 4.26Å; A2022-F2051 HydrophobicContact CB-CD1 4.1Å; A2022-F2051 HydrophobicContact CB-CE1 4.01Å; L2032-F2051 HydrophobicContact CD2-CD1 3.91Å; L2035-F2051 HydrophobicContact CB-CD2 4.17Å; L2035-F2051 HydrophobicContact CB-CG 4.24Å; A2036-F2051 HydrophobicContact CB-CB 3.87Å; M2039-F2051 HydrophobicContact SD-CD2 3.99Å; M2039-F2051 HydrophobicContact SD-CE2 3.66Å; A2048-F2051 PolarHBondContact O-N 3.12Å; F2049-F2051 VanDerWaalsContact C-N 3.32Å; F2049-F2051 PolarHBondContact O-N 2.81Å; F2051-A2055 WeakPolarHBondContact O-CB 3.47Å; F2051-A2055 PolarHBondContact O-N 2.87Å
2052A90.4Very high83.5Confident0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-64.5-42.8175.900000112.2A2036 A2048 F2049 A2055 T2056 W2076 A2077 L2080A2036-A2052 HydrophobicContact CB-CB 3.99Å; A2048-A2052 PolarHBondContact O-N 2.82Å; A2048-A2052 VanDerWaalsContact O-N 3.11Å; F2049-A2052 PolarHBondContact O-N 2.93Å; A2052-A2055 WeakPolarHBondContact O-CB 3.47Å; A2052-A2055 PolarHBondContact O-N 3.07Å; A2052-T2056 PolarHBondContact O-N 3.17Å; A2052-T2056 PolarHBondContact O-OG1 2.87Å; A2052-W2076 HydrophobicContact CB-CZ3 4.1Å; A2052-A2077 HydrophobicContact CB-CB 4.27Å; A2052-L2080 HydrophobicContact CB-CD2 4.11Å
2053L90.1Very high82.9Confident9 Ų945.2 Ų45.25%0.04723%0.231CC..Hα-helixtrans-64.1-46.3178.2-178.766.5000111.6F2049 P2050 A2055 T2056 R2057 E2091 I2092F2049-L2053 HydrophobicContact CE1-CB 4.49Å; F2049-L2053 HydrophobicContact CE1-CD2 4.01Å; F2049-L2053 HydrophobicContact CZ-CD1 4.45Å; F2049-L2053 HydrophobicContact CZ-CD2 4.4Å; F2049-L2053 VanDerWaalsContact O-CB 3.3Å; F2049-L2053 WeakPolarHBondContact O-CB 3.3Å; F2049-L2053 PolarHBondContact O-N 3.46Å; P2050-L2053 PolarHBondContact O-N 3.02Å; L2053-A2055 VanDerWaalsContact C-N 3.32Å; L2053-A2055 PolarHBondContact O-N 2.89Å; L2053-T2056 WeakPolarHBondContact CA-OG1 3.2Å; L2053-T2056 PolarHBondContact O-N 3.25Å; L2053-T2056 PolarHBondContact O-OG1 3.26Å; L2053-R2057 WeakPolarHBondContact O-CG 3.17Å; L2053-R2057 PolarHBondContact O-N 3.11Å; L2053-R2057 VanDerWaalsContact O-N 3.13Å; L2053-E2091 HydrophobicContact CD1-CG 4.21Å; L2053-E2091 HydrophobicContact CD2-CG 4.47Å; L2053-E2091 WeakPolarHBondContact CD2-OE1 3.37Å; L2053-I2092 HydrophobicContact CD1-CB 4.46Å; L2053-I2092 HydrophobicContact CD1-CG1 4.41Å
2054H88.1Confident82.1Confident44 Ų4446.3 Ų46.320%0.20423%0.227CC..Hα-helixtrans-62.9-36173.1-84.5-94000112.4L2032 P2050 R2057 L2058L2032-H2054 HydrophobicContact CD1-CB 4.29Å; P2050-H2054 WeakPolarHBondContact O-CB 3.11Å; P2050-H2054 PolarHBondContact O-CD2 3.4Å; P2050-H2054 VanDerWaalsContact O-CD2 3.26Å; P2050-H2054 PolarHBondContact O-N 2.99Å; H2054-R2057 PolarHBondContact NE2-NH1 3.35Å; H2054-R2057 PolarHBondContact O-N 3.49Å; H2054-L2058 WeakPolarHBondContact O-CD1 3.42Å; H2054-L2058 WeakPolarHBondContact O-CG 3.46Å
2055A87.7Confident81Confident0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-62.8-42.9172.400000112.2P2029 L2032 F2033 F2051 A2052 L2053 R2057 L2058 F2059P2029-A2055 HydrophobicContact CB-CB 4.46Å; L2032-A2055 HydrophobicContact CB-CB 3.79Å; F2033-A2055 HydrophobicContact CD1-CB 3.73Å; F2033-A2055 HydrophobicContact CD2-CB 3.69Å; F2033-A2055 HydrophobicContact CE1-CB 3.61Å; F2033-A2055 HydrophobicContact CE2-CB 3.58Å; F2033-A2055 HydrophobicContact CG-CB 3.76Å; F2033-A2055 HydrophobicContact CZ-CB 3.54Å; F2051-A2055 WeakPolarHBondContact O-CB 3.47Å; F2051-A2055 PolarHBondContact O-N 2.87Å; A2052-A2055 WeakPolarHBondContact O-CB 3.47Å; A2052-A2055 PolarHBondContact O-N 3.07Å; L2053-A2055 VanDerWaalsContact C-N 3.32Å; L2053-A2055 PolarHBondContact O-N 2.89Å; A2055-R2057 PolarHBondContact O-N 3.26Å; A2055-L2058 PolarHBondContact O-N 3.38Å; A2055-L2058 VanDerWaalsContact O-N 3.17Å; A2055-F2059 WeakPolarHBondContact O-CD1 3.27Å; A2055-F2059 WeakPolarHBondContact O-CE1 3.4Å
2056T84.4Confident79.8Confident1 Ų147.7 Ų47.71%0.00623%0.234CC..Hα-helixtrans-66.7-19175.553.70000115F2033 A2052 L2053 L2058 F2059 A2077 I2092 N2099F2033-T2056 HydrophobicContact CE1-CG2 4.33Å; F2033-T2056 HydrophobicContact CZ-CG2 3.99Å; A2052-T2056 PolarHBondContact O-N 3.17Å; A2052-T2056 PolarHBondContact O-OG1 2.87Å; L2053-T2056 WeakPolarHBondContact CA-OG1 3.2Å; L2053-T2056 PolarHBondContact O-N 3.25Å; L2053-T2056 PolarHBondContact O-OG1 3.26Å; T2056-L2058 VanDerWaalsContact C-N 3.31Å; T2056-F2059 HydrophobicContact CG2-CE1 4.27Å; T2056-F2059 HydrophobicContact CG2-CZ 4.22Å; T2056-A2077 HydrophobicContact CG2-CB 4.44Å; T2056-I2092 HydrophobicContact CG2-CD1 3.96Å; T2056-I2092 HydrophobicContact CG2-CG1 4.1Å; T2056-N2099 PolarHBondContact O-ND2 2.95Å
2057R85.2Confident78.6Confident92 Ų9244.4 Ų44.435%0.34724%0.238SC..THydrogen-bonded Turntrans-77-12.8173.8-73.8168.4173153.13.9113.6L2053 H2054 A2055 E2091 H2095L2053-R2057 WeakPolarHBondContact O-CG 3.17Å; L2053-R2057 PolarHBondContact O-N 3.11Å; L2053-R2057 VanDerWaalsContact O-N 3.13Å; H2054-R2057 PolarHBondContact NE2-NH1 3.35Å; H2054-R2057 PolarHBondContact O-N 3.49Å; A2055-R2057 PolarHBondContact O-N 3.26Å; R2057-E2091 IonicContact NH2-OE1 3.18Å; R2057-E2091 PolarHBondContact NH2-OE1 3.49Å; R2057-H2095 PolarHBondContact NE-NE2 3.44Å; R2057-H2095 PolarHBondContact NH2-CE1 3.17Å; R2057-H2095 VanDerWaalsContact NH2-CE1 3.33Å; R2057-H2095 PolarHBondContact NH2-NE2 2.94Å
2058L80Confident77.6Confident91 Ų9144.2 Ų44.248%0.47624%0.24SC..SBendtrans-1116.5-164.9-70.3170.4000116.1P2029 L2032 H2054 A2055 T2056P2029-L2058 HydrophobicContact CB-CB 4.21Å; P2029-L2058 HydrophobicContact CG-CB 4.32Å; L2032-L2058 HydrophobicContact CD1-CD1 3.64Å; H2054-L2058 WeakPolarHBondContact O-CD1 3.42Å; H2054-L2058 WeakPolarHBondContact O-CG 3.46Å; A2055-L2058 PolarHBondContact O-N 3.38Å; A2055-L2058 VanDerWaalsContact O-N 3.17Å; T2056-L2058 VanDerWaalsContact C-N 3.31Å
2059F75.9Confident76.6Confident27 Ų2748.4 Ų48.412%0.11827%0.267CS..  trans-136.5161174.764.9-98.7000111.9F2033 A2055 T2056 L2061 V2070 V2074 N2099 I2100F2033-F2059 HydrophobicContact CE2-CD1 4.44Å; F2033-F2059 AromaticContact CE2-CE1 3.88Å; F2033-F2059 HydrophobicContact CE2-CE1 3.88Å; F2033-F2059 AromaticContact CZ-CE1 3.91Å; F2033-F2059 HydrophobicContact CZ-CE1 3.91Å; A2055-F2059 WeakPolarHBondContact O-CD1 3.27Å; A2055-F2059 WeakPolarHBondContact O-CE1 3.4Å; T2056-F2059 HydrophobicContact CG2-CE1 4.27Å; T2056-F2059 HydrophobicContact CG2-CZ 4.22Å; F2059-L2061 HydrophobicContact CD2-CD1 4.38Å; F2059-L2061 HydrophobicContact CD2-CG 4.41Å; F2059-L2061 HydrophobicContact CE2-CD1 4.23Å; F2059-V2070 HydrophobicContact CD1-CG1 3.86Å; F2059-V2070 HydrophobicContact CD2-CG1 4.38Å; F2059-V2070 HydrophobicContact CE1-CG1 3.66Å; F2059-V2070 HydrophobicContact CE2-CG1 4.23Å; F2059-V2070 HydrophobicContact CG-CG1 4.23Å; F2059-V2070 HydrophobicContact CZ-CG1 3.9Å; F2059-V2074 HydrophobicContact CE1-CG2 4.31Å; F2059-V2074 HydrophobicContact CE2-CG2 3.85Å; F2059-V2074 HydrophobicContact CZ-CG2 3.39Å; F2059-N2099 WeakPolarHBondContact O-CB 3.46Å; F2059-N2099 PolarHBondContact O-ND2 3.02Å; F2059-I2100 HydrophobicContact CE2-CD1 4.06Å; F2059-I2100 HydrophobicContact CE2-CG1 4.23Å
2060V74.3Confident75.9Confident104 Ų10448.5 Ų48.563%0.6327%0.27SS*.  trans-136140.3175.6177.70000109.2N2099V2060-N2099 CarbonylContact C-O 3.42Å; V2060-N2099 VanDerWaalsContact CA-O 3.24Å; V2060-N2099 WeakPolarHBondContact CA-O 3.09Å; V2060-N2099 WeakPolarHBondContact CG1-O 3.39Å; V2060-N2099 HydrophobicContact CG2-CB 4.5Å
2061L72.9Confident75.2Confident4 Ų447 Ų472%0.02126%0.261CS..BIsolated β-bridgetrans-123.6127.1-177.5-78.5166.9000111.7F2059 H2068 N2099 I2100 H2101 L2105F2059-L2061 HydrophobicContact CD2-CD1 4.38Å; F2059-L2061 HydrophobicContact CD2-CG 4.41Å; F2059-L2061 HydrophobicContact CE2-CD1 4.23Å; L2061-H2068 HydrophobicContact CD2-CB 3.67Å; L2061-H2068 VanDerWaalsContact CD2-CG 3.5Å; L2061-N2099 PolarHBondContact N-O 3.25Å; L2061-I2100 HydrophobicContact CB-CB 4.45Å; L2061-I2100 HydrophobicContact CB-CG1 4.33Å; L2061-I2100 HydrophobicContact CB-CG2 4.15Å; L2061-I2100 HydrophobicContact CD1-CD1 3.98Å; L2061-I2100 HydrophobicContact CD1-CG1 4.13Å; L2061-I2100 HydrophobicContact CD1-CG2 4.37Å; L2061-H2101 PolarHBondContact O-N 2.8Å; L2061-L2105 HydrophobicContact CD1-CD2 4.01Å
2062S70.1Confident74.8Confident50 Ų5052.6 Ų52.635%0.3529%0.291SS..  trans-87166.5-175.464.70000113.8T2064S2062-T2064 PolarHBondContact O-N 2.93Å; S2062-T2064 VanDerWaalsContact O-N 3.09Å
2063T64.4Low74.5Confident36 Ų3653.9 Ų53.922%0.22130%0.298CS..THydrogen-bonded Turntrans-63.9-10.8-175.550.40000115.6H2101T2063-H2101 WeakPolarHBondContact CA-O 3.45Å; T2063-H2101 HydrophobicContact CG2-CB 3.86Å; T2063-H2101 WeakPolarHBondContact CG2-O 3.41Å
2064T62Low74.2Confident79 Ų7953.5 Ų53.549%0.48530%0.296SS..THydrogen-bonded Turntrans-108-8.6-171.552.90000115S2062 E2066S2062-T2064 PolarHBondContact O-N 2.93Å; S2062-T2064 VanDerWaalsContact O-N 3.09Å; T2064-E2066 PolarHBondContact O-N 2.76Å
2065Q60.7Low74.1Confident86 Ų8652.2 Ų52.240%0.40229%0.29SS..  trans-97.287.9-175.5-65.8-178.8-10.100111.5S2067 C2102Q2065-S2067 VanDerWaalsContact C-N 3.26Å; Q2065-S2067 PolarHBondContact O-N 3.16Å; Q2065-C2102 PolarHBondContact O-SG 3.14Å
2066E57.1Low74.1Confident65 Ų6554.4 Ų54.430%0.30430%0.299SS..SBendtrans-68-22.5177.5-75.1-170-13800113.5T2064 T2104 R2222 R2240T2064-E2066 PolarHBondContact O-N 2.76Å; E2066-T2104 HydrophobicContact CG-CG2 4.33Å; E2066-R2222 IonicContact OE1-CZ 3.71Å; E2066-R2222 IonicContact OE1-NH1 3.94Å; E2066-R2222 PolarHBondContact OE1-NH1 3.06Å; E2066-R2222 IonicContact OE1-NH2 2.72Å; E2066-R2222 PolarHBondContact OE1-NH2 3.21Å; E2066-R2240 IonicContact OE1-NH2 2.74Å; E2066-R2240 IonicContact OE2-CZ 2.79Å; E2066-R2240 VanDerWaalsContact OE2-CZ 3.28Å; E2066-R2240 IonicContact OE2-NH1 3.34Å; E2066-R2240 PolarHBondContact OE2-NH1 3.44Å; E2066-R2240 IonicContact OE2-NH2 3.38Å; E2066-R2240 PolarHBondContact OE2-NH2 3.3Å
2067S59.6Low74.3Confident110 Ų11054.4 Ų54.477%0.76930%0.298SS*.  trans-133.9106178.748.40000111.7Q2065Q2065-S2067 VanDerWaalsContact C-N 3.26Å; Q2065-S2067 PolarHBondContact O-N 3.16Å
2068H65.7Low74.4Confident75 Ų7550.1 Ų50.135%0.34728%0.282SS..  trans-131.1132.6173.1-175.3-88.9000109.2L2061 V2070 G2071L2061-H2068 HydrophobicContact CD2-CB 3.67Å; L2061-H2068 VanDerWaalsContact CD2-CG 3.5Å; H2068-V2070 VanDerWaalsContact C-N 3.28Å; H2068-V2070 PolarHBondContact ND1-N 3.03Å; H2068-V2070 PolarHBondContact O-N 3.22Å; H2068-V2070 VanDerWaalsContact O-N 3.14Å; H2068-G2071 PolarHBondContact O-N 3.46Å
2069P68.3Low74.7Confident87 Ų8749.3 Ų49.357%0.56528%0.278SS*.THydrogen-bonded Turntrans-60.4-33.6-166.720.8-33.5000114G2071 N2072P2069-G2071 PolarHBondContact O-N 2.88Å; P2069-G2071 VanDerWaalsContact O-N 3.14Å; P2069-N2072 PolarHBondContact O-N 2.87Å
2070V75.5Confident75.2Confident22 Ų2248 Ų4813%0.13327%0.273CS..Hα-helixtrans-61.3-20.8175.3179.80000112.3F2033 F2059 H2068 N2072 D2073 V2074F2033-V2070 HydrophobicContact CE2-CG1 3.98Å; F2059-V2070 HydrophobicContact CD1-CG1 3.86Å; F2059-V2070 HydrophobicContact CD2-CG1 4.38Å; F2059-V2070 HydrophobicContact CE1-CG1 3.66Å; F2059-V2070 HydrophobicContact CE2-CG1 4.23Å; F2059-V2070 HydrophobicContact CG-CG1 4.23Å; F2059-V2070 HydrophobicContact CZ-CG1 3.9Å; H2068-V2070 VanDerWaalsContact C-N 3.28Å; H2068-V2070 PolarHBondContact ND1-N 3.03Å; H2068-V2070 PolarHBondContact O-N 3.22Å; H2068-V2070 VanDerWaalsContact O-N 3.14Å; V2070-N2072 PolarHBondContact O-N 3.33Å; V2070-D2073 CarbonylContact O-C 3.42Å; V2070-D2073 WeakPolarHBondContact O-CA 3.5Å; V2070-D2073 WeakPolarHBondContact O-CB 3.48Å; V2070-D2073 PolarHBondContact O-N 2.92Å; V2070-V2074 HydrophobicContact CG1-CG2 4.02Å; V2070-V2074 VanDerWaalsContact O-CG2 3.25Å; V2070-V2074 WeakPolarHBondContact O-CG2 3.45Å; V2070-V2074 PolarHBondContact O-N 2.74Å
2071G75.5Confident75.7Confident5 Ų543.1 Ų43.15%0.05224%0.243CC..Hα-helixtrans-52.9-39.6177.800000113.3H2068 P2069 V2074 L2075H2068-G2071 PolarHBondContact O-N 3.46Å; P2069-G2071 PolarHBondContact O-N 2.88Å; P2069-G2071 VanDerWaalsContact O-N 3.14Å; G2071-V2074 PolarHBondContact O-N 2.98Å; G2071-L2075 WeakPolarHBondContact O-CB 3.24Å; G2071-L2075 WeakPolarHBondContact O-CD1 3.31Å; G2071-L2075 VanDerWaalsContact O-CG 3.22Å; G2071-L2075 WeakPolarHBondContact O-CG 3.47Å; G2071-L2075 PolarHBondContact O-N 2.81Å
2072N81.9Confident76.2Confident118 Ų11844.1 Ų44.163%0.63125%0.247SC*.Hα-helixtrans-68.6-34.6175.2-78.3-22000112.9P2069 V2070 W2076P2069-N2072 PolarHBondContact O-N 2.87Å; V2070-N2072 PolarHBondContact O-N 3.33Å; N2072-W2076 WeakPolarHBondContact O-CB 3.26Å; N2072-W2076 PolarHBondContact O-N 2.7Å
2073D85.2Confident76.8Confident27 Ų2747.2 Ų47.214%0.14425%0.251CS..Hα-helixtrans-68.8-36.7171.8-72.9-45.9000111.9F2033 R2037 V2070 A2077F2033-D2073 HydrophobicContact CD1-CB 4.04Å; F2033-D2073 HydrophobicContact CD2-CB 3.79Å; F2033-D2073 HydrophobicContact CE1-CB 4.09Å; F2033-D2073 HydrophobicContact CE2-CB 3.83Å; F2033-D2073 HydrophobicContact CG-CB 3.9Å; F2033-D2073 HydrophobicContact CZ-CB 3.98Å; R2037-D2073 IonicContact CZ-OD1 3.68Å; R2037-D2073 IonicContact NE-OD1 3.64Å; R2037-D2073 PolarHBondContact NE-OD1 3.45Å; R2037-D2073 IonicContact NH2-OD1 3.17Å; R2037-D2073 PolarHBondContact NH2-OD1 2.69Å; V2070-D2073 CarbonylContact O-C 3.42Å; V2070-D2073 WeakPolarHBondContact O-CA 3.5Å; V2070-D2073 WeakPolarHBondContact O-CB 3.48Å; V2070-D2073 PolarHBondContact O-N 2.92Å; D2073-A2077 WeakPolarHBondContact O-CB 3.27Å; D2073-A2077 PolarHBondContact O-N 2.85Å
2074V84.3Confident77.7Confident0 Ų046.6 Ų46.60%025%0.247CC..Hα-helixtrans-65.8-45.1173.6-165.60000111.1F2059 V2070 G2071 W2076 A2077 C2078 V2096 I2100 I2109F2059-V2074 HydrophobicContact CE1-CG2 4.31Å; F2059-V2074 HydrophobicContact CE2-CG2 3.85Å; F2059-V2074 HydrophobicContact CZ-CG2 3.39Å; V2070-V2074 HydrophobicContact CG1-CG2 4.02Å; V2070-V2074 VanDerWaalsContact O-CG2 3.25Å; V2070-V2074 WeakPolarHBondContact O-CG2 3.45Å; V2070-V2074 PolarHBondContact O-N 2.74Å; G2071-V2074 PolarHBondContact O-N 2.98Å; V2074-W2076 PolarHBondContact O-N 2.93Å; V2074-A2077 PolarHBondContact O-N 3.31Å; V2074-C2078 WeakPolarHBondContact O-CB 3.41Å; V2074-C2078 PolarHBondContact O-N 3.26Å; V2074-C2078 PolarHBondContact O-SG 3.36Å; V2074-V2096 HydrophobicContact CG1-CG2 3.61Å; V2074-I2100 HydrophobicContact CB-CD1 4.39Å; V2074-I2100 HydrophobicContact CG1-CD1 3.8Å; V2074-I2100 HydrophobicContact CG2-CD1 4.04Å; V2074-I2109 HydrophobicContact CG1-CD1 4.25Å
2075L85Confident78.6Confident18 Ų1843.8 Ų43.89%0.09423%0.233CC..Hα-helixtrans-60.6-44.5177.8-72.9162.7000110.9G2071 L2079 L2105 D2108 I2109G2071-L2075 WeakPolarHBondContact O-CB 3.24Å; G2071-L2075 WeakPolarHBondContact O-CD1 3.31Å; G2071-L2075 VanDerWaalsContact O-CG 3.22Å; G2071-L2075 WeakPolarHBondContact O-CG 3.47Å; G2071-L2075 PolarHBondContact O-N 2.81Å; L2075-L2079 PolarHBondContact O-N 3.38Å; L2075-L2105 HydrophobicContact CD1-CD1 4.04Å; L2075-L2105 HydrophobicContact CG-CD1 4.3Å; L2075-D2108 HydrophobicContact CD2-CB 4.38Å; L2075-I2109 HydrophobicContact CD2-CG1 3.6Å; L2075-I2109 HydrophobicContact CG-CG1 4.43Å
2076W88.8Confident79.2Confident46 Ų4644.5 Ų44.517%0.17425%0.245CC..Hα-helixtrans-63.5-43.4172.8168.882.8000112.5F2033 A2036 R2037 D2040 A2052 N2072 V2074 L2079 L2080F2033-W2076 HydrophobicContact CD1-CZ3 4.17Å; A2036-W2076 HydrophobicContact CB-CH2 3.67Å; A2036-W2076 HydrophobicContact CB-CZ3 4.04Å; R2037-W2076 HydrophobicContact CB-CZ2 4.47Å; R2037-W2076 HydrophobicContact CG-CD2 4.31Å; R2037-W2076 HydrophobicContact CG-CE3 4.34Å; R2037-W2076 HydrophobicContact CG-CH2 3.92Å; R2037-W2076 HydrophobicContact CG-CZ2 3.85Å; R2037-W2076 HydrophobicContact CG-CZ3 4.17Å; D2040-W2076 HydrophobicContact CB-CZ2 3.83Å; D2040-W2076 WeakPolarHBondContact OD2-CZ2 3.38Å; D2040-W2076 PolarHBondContact OD2-NE1 2.9Å; A2052-W2076 HydrophobicContact CB-CZ3 4.1Å; N2072-W2076 WeakPolarHBondContact O-CB 3.26Å; N2072-W2076 PolarHBondContact O-N 2.7Å; V2074-W2076 PolarHBondContact O-N 2.93Å; W2076-L2079 CarbonylContact O-C 3.6Å; W2076-L2079 WeakPolarHBondContact O-CA 3.3Å; W2076-L2079 WeakPolarHBondContact O-CB 3.44Å; W2076-L2079 PolarHBondContact O-N 3.1Å; W2076-L2079 VanDerWaalsContact O-N 3.09Å; W2076-L2080 HydrophobicContact CH2-CD2 3.8Å; W2076-L2080 HydrophobicContact CZ2-CD2 4.06Å; W2076-L2080 HydrophobicContact CZ3-CD2 4.39Å; W2076-L2080 PolarHBondContact O-N 3.41Å
2077A88.2Confident80.3Confident0 Ų044 Ų440%026%0.257CS..Hα-helixtrans-68.3-36.1-17900000112.3F2033 A2052 T2056 D2073 V2074 L2079 L2080 G2081 I2092F2033-A2077 HydrophobicContact CE1-CB 4.04Å; A2052-A2077 HydrophobicContact CB-CB 4.27Å; T2056-A2077 HydrophobicContact CG2-CB 4.44Å; D2073-A2077 WeakPolarHBondContact O-CB 3.27Å; D2073-A2077 PolarHBondContact O-N 2.85Å; V2074-A2077 PolarHBondContact O-N 3.31Å; A2077-L2079 VanDerWaalsContact C-N 3.31Å; A2077-L2080 PolarHBondContact O-N 3.39Å; A2077-G2081 PolarHBondContact O-N 3.04Å; A2077-I2092 HydrophobicContact CB-CD1 3.61Å
2078C86.7Confident81.4Confident2 Ų239.4 Ų39.41%0.01423%0.226CC..Hα-helixtrans-63.6-38.2169.2-65.80000111.1V2074 G2081 H2082 I2109V2074-C2078 WeakPolarHBondContact O-CB 3.41Å; V2074-C2078 PolarHBondContact O-N 3.26Å; V2074-C2078 PolarHBondContact O-SG 3.36Å; C2078-G2081 PolarHBondContact O-N 3.08Å; C2078-H2082 WeakPolarHBondContact O-CB 3.38Å; C2078-H2082 PolarHBondContact O-N 2.99Å; C2078-I2109 HydrophobicContact CB-CG2 4.41Å
2079L85.5Confident82.3Confident75 Ų7536 Ų3639%0.39321%0.21SC..Hα-helixtrans-67.8-34.5173.6-133.979.7000112.9L2075 W2076 A2077 H2082 R2083L2075-L2079 PolarHBondContact O-N 3.38Å; W2076-L2079 CarbonylContact O-C 3.6Å; W2076-L2079 WeakPolarHBondContact O-CA 3.3Å; W2076-L2079 WeakPolarHBondContact O-CB 3.44Å; W2076-L2079 PolarHBondContact O-N 3.1Å; W2076-L2079 VanDerWaalsContact O-N 3.09Å; A2077-L2079 VanDerWaalsContact C-N 3.31Å; L2079-H2082 PolarHBondContact O-N 2.74Å; L2079-R2083 WeakPolarHBondContact O-CB 3.46Å; L2079-R2083 WeakPolarHBondContact O-CG 3.43Å; L2079-R2083 PolarHBondContact O-N 3.36Å
2080L87.5Confident83.1Confident0 Ų034.5 Ų34.50%020%0.196CC..Hα-helixtrans-65.5-46.6171.9177.863.4000110.5T2045 A2048 A2052 W2076 A2077 H2082 R2083 L2084T2045-L2080 HydrophobicContact CG2-CD1 4.46Å; A2048-L2080 HydrophobicContact CB-CD2 4.14Å; A2052-L2080 HydrophobicContact CB-CD2 4.11Å; W2076-L2080 HydrophobicContact CH2-CD2 3.8Å; W2076-L2080 HydrophobicContact CZ2-CD2 4.06Å; W2076-L2080 HydrophobicContact CZ3-CD2 4.39Å; W2076-L2080 PolarHBondContact O-N 3.41Å; A2077-L2080 PolarHBondContact O-N 3.39Å; L2080-H2082 VanDerWaalsContact C-N 3.31Å; L2080-H2082 PolarHBondContact O-N 2.97Å; L2080-R2083 PolarHBondContact O-N 2.83Å; L2080-L2084 HydrophobicContact CD1-CD1 4.08Å; L2080-L2084 HydrophobicContact CG-CD1 4.03Å; L2080-L2084 WeakPolarHBondContact O-CG 3.45Å; L2080-L2084 PolarHBondContact O-N 3.36Å
2081G84.7Confident83.5Confident0 Ų037.1 Ų37.10%021%0.207CC..Hα-helixtrans-57-43.1171.100000112.3A2077 C2078 R2083 L2084 G2085A2077-G2081 PolarHBondContact O-N 3.04Å; C2078-G2081 PolarHBondContact O-N 3.08Å; G2081-R2083 PolarHBondContact O-N 3.27Å; G2081-L2084 PolarHBondContact O-N 3.25Å; G2081-G2085 PolarHBondContact O-N 2.85Å; G2081-G2085 VanDerWaalsContact O-O 3.06Å
2082H83.3Confident84.2Confident25 Ų2536.9 Ų36.912%0.11620%0.204CC..Hα-helixtrans-65.1-38177.2-158.6178.2000112.6C2078 L2079 L2080 L2084 G2085 L2089 S2115C2078-H2082 WeakPolarHBondContact O-CB 3.38Å; C2078-H2082 PolarHBondContact O-N 2.99Å; L2079-H2082 PolarHBondContact O-N 2.74Å; L2080-H2082 VanDerWaalsContact C-N 3.31Å; L2080-H2082 PolarHBondContact O-N 2.97Å; H2082-L2084 VanDerWaalsContact C-N 3.31Å; H2082-L2084 PolarHBondContact O-N 3Å; H2082-G2085 PolarHBondContact O-N 3.48Å; H2082-L2089 HydrophobicContact CB-CD1 4.26Å; H2082-L2089 HydrophobicContact CB-CD2 4.35Å; H2082-S2115 PolarHBondContact CE1-O 3.45Å
2083R83.6Confident84.5Confident115 Ų11531.2 Ų31.243%0.43417%0.174SC..Hα-helixtrans-65.6-29.8172.7-77.4-176.5-71.4153.1-2.3113.1D2040 L2079 L2080 G2081D2040-R2083 IonicContact OD1-CZ 3.04Å; D2040-R2083 IonicContact OD1-NH1 3.22Å; D2040-R2083 PolarHBondContact OD1-NH1 3.43Å; D2040-R2083 IonicContact OD1-NH2 3.52Å; D2040-R2083 PolarHBondContact OD1-NH2 3.43Å; D2040-R2083 IonicContact OD2-CZ 2.75Å; D2040-R2083 IonicContact OD2-NH1 3.35Å; D2040-R2083 PolarHBondContact OD2-NH1 3.42Å; D2040-R2083 IonicContact OD2-NH2 2.77Å; D2040-R2083 PolarHBondContact OD2-NH2 2.98Å; L2079-R2083 WeakPolarHBondContact O-CB 3.46Å; L2079-R2083 WeakPolarHBondContact O-CG 3.43Å; L2079-R2083 PolarHBondContact O-N 3.36Å; L2080-R2083 PolarHBondContact O-N 2.83Å; G2081-R2083 PolarHBondContact O-N 3.27Å
2084L82.1Confident84.5Confident24 Ų2434.1 Ų34.113%0.12619%0.189CC..Hα-helixtrans-87.5-12.6178.6-68.2165.5000113.6W2046 F2049 L2080 G2081 H2082 A2088W2046-L2084 HydrophobicContact CD2-CD2 3.59Å; W2046-L2084 HydrophobicContact CE3-CD2 3.93Å; W2046-L2084 HydrophobicContact CG-CD2 4.01Å; W2046-L2084 HydrophobicContact CH2-CB 4.49Å; W2046-L2084 HydrophobicContact CH2-CD2 4.18Å; W2046-L2084 HydrophobicContact CZ2-CD2 3.88Å; W2046-L2084 HydrophobicContact CZ3-CD2 4.21Å; F2049-L2084 HydrophobicContact CB-CD1 3.55Å; F2049-L2084 HydrophobicContact CD2-CD1 3.7Å; F2049-L2084 HydrophobicContact CG-CD1 3.74Å; L2080-L2084 HydrophobicContact CD1-CD1 4.08Å; L2080-L2084 HydrophobicContact CG-CD1 4.03Å; L2080-L2084 WeakPolarHBondContact O-CG 3.45Å; L2080-L2084 PolarHBondContact O-N 3.36Å; G2081-L2084 PolarHBondContact O-N 3.25Å; H2082-L2084 VanDerWaalsContact C-N 3.31Å; H2082-L2084 PolarHBondContact O-N 3Å; L2084-A2088 HydrophobicContact CB-CB 3.78Å
2085G81.6Confident84.6Confident19 Ų1936.2 Ų36.220%0.19620%0.199CC..  trans113.3174.9171.700000114.8G2081 H2082 G2087 A2088 L2089G2081-G2085 PolarHBondContact O-N 2.85Å; G2081-G2085 VanDerWaalsContact O-O 3.06Å; H2082-G2085 PolarHBondContact O-N 3.48Å; G2085-G2087 VanDerWaalsContact C-N 3.26Å; G2085-G2087 PolarHBondContact O-N 3.21Å; G2085-G2087 VanDerWaalsContact O-N 3.16Å; G2085-A2088 PolarHBondContact O-N 2.96Å; G2085-L2089 WeakPolarHBondContact O-CB 3.4Å; G2085-L2089 PolarHBondContact O-N 3.32Å
2086P73.9Confident84.6Confident102 Ų10235.5 Ų35.566%0.66220%0.196SC*.Hα-helixtrans-62.8-27.2-16923.8-34.2000114.4Q2090P2086-Q2090 VanDerWaalsContact O-CB 3.31Å; P2086-Q2090 WeakPolarHBondContact O-CB 3.45Å; P2086-Q2090 PolarHBondContact O-N 3.31Å
2087G79.5Confident84.4Confident54 Ų5435.4 Ų35.456%0.55720%0.198SC*.Hα-helixtrans-67.8-52175.400000112.9G2085 L2089 Q2090 E2091G2085-G2087 VanDerWaalsContact C-N 3.26Å; G2085-G2087 PolarHBondContact O-N 3.21Å; G2085-G2087 VanDerWaalsContact O-N 3.16Å; G2087-L2089 VanDerWaalsContact C-N 3.29Å; G2087-L2089 PolarHBondContact O-N 2.83Å; G2087-Q2090 PolarHBondContact O-N 2.82Å; G2087-E2091 PolarHBondContact O-N 3.32Å
2088A82Confident84.2Confident14 Ų1442.3 Ų42.312%0.11622%0.224CC..Hα-helixtrans-62.8-37.1175.800000111.7F2049 L2084 G2085 E2091 I2092F2049-A2088 HydrophobicContact CE1-CB 4.25Å; F2049-A2088 HydrophobicContact CE2-CB 3.94Å; F2049-A2088 HydrophobicContact CZ-CB 3.78Å; L2084-A2088 HydrophobicContact CB-CB 3.78Å; G2085-A2088 PolarHBondContact O-N 2.96Å; A2088-E2091 PolarHBondContact O-N 2.88Å; A2088-I2092 PolarHBondContact O-N 3.48Å; A2088-I2092 VanDerWaalsContact O-N 3.09Å
2089L86Confident84Confident2 Ų243.4 Ų43.41%0.0123%0.23CC..Hα-helixtrans-63.9-44.7172.7-17760.8000112.4H2082 G2085 G2087 L2093 P2203H2082-L2089 HydrophobicContact CB-CD1 4.26Å; H2082-L2089 HydrophobicContact CB-CD2 4.35Å; G2085-L2089 WeakPolarHBondContact O-CB 3.4Å; G2085-L2089 PolarHBondContact O-N 3.32Å; G2087-L2089 VanDerWaalsContact C-N 3.29Å; G2087-L2089 PolarHBondContact O-N 2.83Å; L2089-L2093 HydrophobicContact CD1-CD1 3.8Å; L2089-L2093 HydrophobicContact CD1-CG 3.98Å; L2089-L2093 HydrophobicContact CD2-CD1 4.49Å; L2089-L2093 HydrophobicContact CG-CD1 3.8Å; L2089-L2093 HydrophobicContact CG-CG 4.35Å; L2089-L2093 VanDerWaalsContact O-CB 3.23Å; L2089-L2093 WeakPolarHBondContact O-CB 3.33Å; L2089-L2093 VanDerWaalsContact O-CG 3.23Å; L2089-L2093 WeakPolarHBondContact O-CG 3.38Å; L2089-L2093 PolarHBondContact O-N 2.95Å; L2089-P2203 HydrophobicContact CD2-CG 4.25Å
2090Q83.6Confident83.9Confident56 Ų5639.9 Ų39.926%0.26221%0.211SC..Hα-helixtrans-63.4-42.2176.1-177.471.576.800111.4P2086 G2087 L2093 N2094 P2203P2086-Q2090 VanDerWaalsContact O-CB 3.31Å; P2086-Q2090 WeakPolarHBondContact O-CB 3.45Å; P2086-Q2090 PolarHBondContact O-N 3.31Å; G2087-Q2090 PolarHBondContact O-N 2.82Å; Q2090-L2093 PolarHBondContact O-N 3.22Å; Q2090-N2094 PolarHBondContact NE2-OD1 3.21Å; Q2090-N2094 WeakPolarHBondContact O-CB 3.34Å; Q2090-N2094 PolarHBondContact O-N 3.36Å; Q2090-N2094 PolarHBondContact O-ND2 2.77Å; Q2090-N2094 PolarHBondContact O-OD1 3.37Å; Q2090-P2203 HydrophobicContact CB-CB 4.45Å; Q2090-P2203 VanDerWaalsContact OE1-CA 3.28Å
2091E85.6Confident83.7Confident77 Ų7743.6 Ų43.636%0.3623%0.229SC..Hα-helixtrans-63-47.6179.3-165.9-174.6-177.500111.3L2053 R2057 G2087 A2088 N2094 H2095L2053-E2091 HydrophobicContact CD1-CG 4.21Å; L2053-E2091 HydrophobicContact CD2-CG 4.47Å; L2053-E2091 WeakPolarHBondContact CD2-OE1 3.37Å; R2057-E2091 IonicContact NH2-OE1 3.18Å; R2057-E2091 PolarHBondContact NH2-OE1 3.49Å; G2087-E2091 PolarHBondContact O-N 3.32Å; A2088-E2091 PolarHBondContact O-N 2.88Å; E2091-N2094 PolarHBondContact O-N 3.29Å; E2091-H2095 PolarHBondContact O-ND1 3.09Å
2092I89.1Confident83.7Confident0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-70.2-37.1179.7-156.1171.4000112.1F2049 L2053 T2056 A2077 A2088 N2094 H2095 V2096F2049-I2092 HydrophobicContact CE2-CB 4.44Å; L2053-I2092 HydrophobicContact CD1-CB 4.46Å; L2053-I2092 HydrophobicContact CD1-CG1 4.41Å; T2056-I2092 HydrophobicContact CG2-CD1 3.96Å; T2056-I2092 HydrophobicContact CG2-CG1 4.1Å; A2077-I2092 HydrophobicContact CB-CD1 3.61Å; A2088-I2092 PolarHBondContact O-N 3.48Å; A2088-I2092 VanDerWaalsContact O-N 3.09Å; I2092-N2094 VanDerWaalsContact C-N 3.33Å; I2092-N2094 PolarHBondContact O-N 3.13Å; I2092-H2095 PolarHBondContact O-N 2.95Å; I2092-V2096 WeakPolarHBondContact O-CG2 3.49Å; I2092-V2096 PolarHBondContact O-N 3.18Å
2093L87.5Confident83.6Confident0 Ų042.6 Ų42.60%022%0.224CC..Hα-helixtrans-64-35.1175.8-75.9176.9000112.8L2089 Q2090 H2095 V2096 I2097 I2109 P2203 L2207L2089-L2093 HydrophobicContact CD1-CD1 3.8Å; L2089-L2093 HydrophobicContact CD1-CG 3.98Å; L2089-L2093 HydrophobicContact CD2-CD1 4.49Å; L2089-L2093 HydrophobicContact CG-CD1 3.8Å; L2089-L2093 HydrophobicContact CG-CG 4.35Å; L2089-L2093 VanDerWaalsContact O-CB 3.23Å; L2089-L2093 WeakPolarHBondContact O-CB 3.33Å; L2089-L2093 VanDerWaalsContact O-CG 3.23Å; L2089-L2093 WeakPolarHBondContact O-CG 3.38Å; L2089-L2093 PolarHBondContact O-N 2.95Å; Q2090-L2093 PolarHBondContact O-N 3.22Å; L2093-H2095 VanDerWaalsContact C-N 3.27Å; L2093-H2095 PolarHBondContact O-N 2.96Å; L2093-V2096 HydrophobicContact CD2-CG1 4.47Å; L2093-V2096 PolarHBondContact O-N 2.75Å; L2093-I2097 WeakPolarHBondContact O-CB 3.4Å; L2093-I2097 WeakPolarHBondContact O-CD1 3.16Å; L2093-I2097 VanDerWaalsContact O-CG1 3.27Å; L2093-I2097 WeakPolarHBondContact O-CG1 3.35Å; L2093-I2097 PolarHBondContact O-N 3.01Å; L2093-I2109 HydrophobicContact CD2-CG2 3.78Å; L2093-P2203 HydrophobicContact CD1-CB 3.9Å; L2093-P2203 HydrophobicContact CD1-CG 4.34Å; L2093-L2207 HydrophobicContact CD2-CD2 4.08Å
2094N86.4Confident83.5Confident87 Ų8737.9 Ų37.947%0.46521%0.208SC..Hα-helixtrans-60-37.8174.4-73-9.6000112.3Q2090 E2091 I2092 R2098Q2090-N2094 PolarHBondContact NE2-OD1 3.21Å; Q2090-N2094 WeakPolarHBondContact O-CB 3.34Å; Q2090-N2094 PolarHBondContact O-N 3.36Å; Q2090-N2094 PolarHBondContact O-ND2 2.77Å; Q2090-N2094 PolarHBondContact O-OD1 3.37Å; E2091-N2094 PolarHBondContact O-N 3.29Å; I2092-N2094 VanDerWaalsContact C-N 3.33Å; I2092-N2094 PolarHBondContact O-N 3.13Å; N2094-R2098 PolarHBondContact O-N 3.26Å
2095H86.5Confident83.5Confident45 Ų4537.9 Ų37.921%0.20821%0.208CC..Hα-helixtrans-75.5-40.1176.1-62.886.8000111.3R2057 E2091 I2092 L2093 R2098 N2099R2057-H2095 PolarHBondContact NE-NE2 3.44Å; R2057-H2095 PolarHBondContact NH2-CE1 3.17Å; R2057-H2095 VanDerWaalsContact NH2-CE1 3.33Å; R2057-H2095 PolarHBondContact NH2-NE2 2.94Å; E2091-H2095 PolarHBondContact O-ND1 3.09Å; I2092-H2095 PolarHBondContact O-N 2.95Å; L2093-H2095 VanDerWaalsContact C-N 3.27Å; L2093-H2095 PolarHBondContact O-N 2.96Å; H2095-R2098 PolarHBondContact O-N 2.85Å; H2095-N2099 VanDerWaalsContact O-CB 3.26Å; H2095-N2099 WeakPolarHBondContact O-CB 3.26Å; H2095-N2099 PolarHBondContact O-N 3.26Å
2096V85Confident83.7Confident3 Ų337.1 Ų37.12%0.01820%0.2CC..Hα-helixtrans-59.4-49.2175.21610000112.2V2074 I2092 L2093 R2098 N2099 I2100 L2106 I2109V2074-V2096 HydrophobicContact CG1-CG2 3.61Å; I2092-V2096 WeakPolarHBondContact O-CG2 3.49Å; I2092-V2096 PolarHBondContact O-N 3.18Å; L2093-V2096 HydrophobicContact CD2-CG1 4.47Å; L2093-V2096 PolarHBondContact O-N 2.75Å; V2096-R2098 VanDerWaalsContact C-N 3.25Å; V2096-R2098 PolarHBondContact O-N 3.18Å; V2096-N2099 PolarHBondContact O-N 3.33Å; V2096-I2100 HydrophobicContact CG1-CD1 4.12Å; V2096-I2100 HydrophobicContact CG1-CG1 4.49Å; V2096-I2100 HydrophobicContact CG2-CD1 4.5Å; V2096-I2100 WeakPolarHBondContact O-CB 3.43Å; V2096-I2100 PolarHBondContact O-N 3.44Å; V2096-L2106 HydrophobicContact CG1-CD2 4.25Å; V2096-I2109 HydrophobicContact CG1-CD1 3.93Å
2097I84.5Confident84.2Confident44 Ų4432.8 Ų32.823%0.22617%0.172CC..Hα-helixtrans-62.4-34.7179.9-68.2162000111.1L2093 L2207 A2210L2093-I2097 WeakPolarHBondContact O-CB 3.4Å; L2093-I2097 WeakPolarHBondContact O-CD1 3.16Å; L2093-I2097 VanDerWaalsContact O-CG1 3.27Å; L2093-I2097 WeakPolarHBondContact O-CG1 3.35Å; L2093-I2097 PolarHBondContact O-N 3.01Å; I2097-L2207 HydrophobicContact CD1-CB 4.15Å; I2097-L2207 HydrophobicContact CG1-CB 4.42Å; I2097-L2207 HydrophobicContact CG1-CD1 3.97Å; I2097-A2210 HydrophobicContact CG2-CB 4.01Å
2098R84.3Confident84.4Confident145 Ų14534 Ų3455%0.54717%0.165SC..Hα-helixtrans-74.2-35.2177.3-165.9174.7-163.8164.49.6113.1D1530 N2094 H2095 V2096 H2101D1530-R2098 IonicContact OD1-NH2 3.36Å; D1530-R2098 IonicContact OD2-NH2 3.82Å; D1530-R2098 PolarHBondContact OD2-NH2 3.11Å; N2094-R2098 PolarHBondContact O-N 3.26Å; H2095-R2098 PolarHBondContact O-N 2.85Å; V2096-R2098 VanDerWaalsContact C-N 3.25Å; V2096-R2098 PolarHBondContact O-N 3.18Å; R2098-H2101 PolarHBondContact O-CE1 2.73Å; R2098-H2101 VanDerWaalsContact O-CE1 3.32Å
2099N82.7Confident84.4Confident25 Ų2533.3 Ų33.313%0.13416%0.16CC..Hα-helixtrans-102.7-14.9-169.5-69.1-0.5000114.1T2056 F2059 V2060 L2061 H2095 V2096T2056-N2099 PolarHBondContact O-ND2 2.95Å; F2059-N2099 WeakPolarHBondContact O-CB 3.46Å; F2059-N2099 PolarHBondContact O-ND2 3.02Å; V2060-N2099 CarbonylContact C-O 3.42Å; V2060-N2099 VanDerWaalsContact CA-O 3.24Å; V2060-N2099 WeakPolarHBondContact CA-O 3.09Å; V2060-N2099 WeakPolarHBondContact CG1-O 3.39Å; V2060-N2099 HydrophobicContact CG2-CB 4.5Å; L2061-N2099 PolarHBondContact N-O 3.25Å; H2095-N2099 VanDerWaalsContact O-CB 3.26Å; H2095-N2099 WeakPolarHBondContact O-CB 3.26Å; H2095-N2099 PolarHBondContact O-N 3.26Å; V2096-N2099 PolarHBondContact O-N 3.33Å
2100I82.4Confident84.3Confident0 Ų033.3 Ų33.30%016%0.16CC..BIsolated β-bridgetrans-119.3123.3-176.3-55-170.5000109.9F2059 L2061 V2074 V2096 C2102 L2105 L2106F2059-I2100 HydrophobicContact CE2-CD1 4.06Å; F2059-I2100 HydrophobicContact CE2-CG1 4.23Å; L2061-I2100 HydrophobicContact CB-CB 4.45Å; L2061-I2100 HydrophobicContact CB-CG1 4.33Å; L2061-I2100 HydrophobicContact CB-CG2 4.15Å; L2061-I2100 HydrophobicContact CD1-CD1 3.98Å; L2061-I2100 HydrophobicContact CD1-CG1 4.13Å; L2061-I2100 HydrophobicContact CD1-CG2 4.37Å; V2074-I2100 HydrophobicContact CB-CD1 4.39Å; V2074-I2100 HydrophobicContact CG1-CD1 3.8Å; V2074-I2100 HydrophobicContact CG2-CD1 4.04Å; V2096-I2100 HydrophobicContact CG1-CD1 4.12Å; V2096-I2100 HydrophobicContact CG1-CG1 4.49Å; V2096-I2100 HydrophobicContact CG2-CD1 4.5Å; V2096-I2100 WeakPolarHBondContact O-CB 3.43Å; V2096-I2100 PolarHBondContact O-N 3.44Å; I2100-C2102 HydrophobicContact CG2-CB 4.43Å; I2100-L2105 HydrophobicContact CD1-CD2 4.19Å; I2100-L2105 HydrophobicContact CG2-CD2 4.11Å; I2100-L2106 HydrophobicContact CB-CD2 4.13Å; I2100-L2106 HydrophobicContact CG2-CD2 4.03Å; I2100-L2106 HydrophobicContact CG2-CG 4.22Å
2101H82.4Confident84.2Confident79 Ų7933 Ų3337%0.36616%0.158SC..  trans-1184.8178.2-51.6-37.2000113L2061 T2063 R2098 P2103L2061-H2101 PolarHBondContact O-N 2.8Å; T2063-H2101 WeakPolarHBondContact CA-O 3.45Å; T2063-H2101 HydrophobicContact CG2-CB 3.86Å; T2063-H2101 WeakPolarHBondContact CG2-O 3.41Å; R2098-H2101 PolarHBondContact O-CE1 2.73Å; R2098-H2101 VanDerWaalsContact O-CE1 3.32Å; H2101-P2103 VanDerWaalsContact O-CD 3.32Å; H2101-P2103 WeakPolarHBondContact O-CD 3.25Å
2102C84.8Confident83.8Confident2 Ų235.5 Ų35.51%0.01416%0.164CC..  trans-75112.1174.8-177.40000110.4Q2065 I2100 T2104 L2105 L2106Q2065-C2102 PolarHBondContact O-SG 3.14Å; I2100-C2102 HydrophobicContact CG2-CB 4.43Å; C2102-T2104 PolarHBondContact O-N 3.44Å; C2102-T2104 PolarHBondContact SG-OG1 3.43Å; C2102-T2104 VanDerWaalsContact SG-OG1 3.35Å; C2102-L2105 HydrophobicContact CB-CB 4.27Å; C2102-L2105 PolarHBondContact O-N 2.84Å; C2102-L2106 WeakPolarHBondContact O-CG 3.35Å; C2102-L2106 PolarHBondContact O-N 3.28Å; C2102-L2106 VanDerWaalsContact O-N 3.1Å
2103P82.1Confident83.2Confident2 Ų235.5 Ų35.51%0.01316%0.164CC..Hα-helixtrans-69.1-32.1-168.525.8-33.9000113.9H2101 T2107 F2215 A2218 F2237H2101-P2103 VanDerWaalsContact O-CD 3.32Å; H2101-P2103 WeakPolarHBondContact O-CD 3.25Å; P2103-T2107 WeakPolarHBondContact O-CB 3.43Å; P2103-T2107 PolarHBondContact O-N 3.29Å; P2103-T2107 PolarHBondContact O-OG1 3.01Å; P2103-F2215 HydrophobicContact CB-CB 4.34Å; P2103-F2215 HydrophobicContact CB-CD1 4.14Å; P2103-F2215 HydrophobicContact CB-CD2 3.74Å; P2103-F2215 HydrophobicContact CB-CE1 4.41Å; P2103-F2215 HydrophobicContact CB-CE2 4.02Å; P2103-F2215 HydrophobicContact CB-CG 3.79Å; P2103-F2215 HydrophobicContact CB-CZ 4.35Å; P2103-F2215 HydrophobicContact CG-CD1 4.23Å; P2103-F2215 HydrophobicContact CG-CE1 4.46Å; P2103-F2215 HydrophobicContact CG-CG 4.33Å; P2103-A2218 HydrophobicContact CG-CB 4.15Å; P2103-F2237 HydrophobicContact CG-CE2 4.25Å; P2103-F2237 HydrophobicContact CG-CZ 4.27Å
2104T82.4Confident82.5Confident15 Ų1538.7 Ų38.79%0.09218%0.176CC..Hα-helixtrans-65.5-46.1175.847.90000111.1E2066 C2102 L2106 T2107 D2108 F2215E2066-T2104 HydrophobicContact CG-CG2 4.33Å; C2102-T2104 PolarHBondContact O-N 3.44Å; C2102-T2104 PolarHBondContact SG-OG1 3.43Å; C2102-T2104 VanDerWaalsContact SG-OG1 3.35Å; T2104-L2106 PolarHBondContact O-N 3.02Å; T2104-T2107 WeakPolarHBondContact O-CB 3.4Å; T2104-T2107 PolarHBondContact O-N 2.95Å; T2104-T2107 VanDerWaalsContact O-N 3.14Å; T2104-D2108 PolarHBondContact O-N 2.86Å; T2104-F2215 HydrophobicContact CG2-CZ 4.36Å
2105L81.6Confident81.5Confident24 Ų2435.8 Ų35.813%0.12616%0.163CC..Hα-helixtrans-65.5-40.3178.3-168.969.2000112.1L2061 L2075 I2100 C2102 T2107 D2108 I2109L2061-L2105 HydrophobicContact CD1-CD2 4.01Å; L2075-L2105 HydrophobicContact CD1-CD1 4.04Å; L2075-L2105 HydrophobicContact CG-CD1 4.3Å; I2100-L2105 HydrophobicContact CD1-CD2 4.19Å; I2100-L2105 HydrophobicContact CG2-CD2 4.11Å; C2102-L2105 HydrophobicContact CB-CB 4.27Å; C2102-L2105 PolarHBondContact O-N 2.84Å; L2105-T2107 VanDerWaalsContact C-N 3.26Å; L2105-T2107 PolarHBondContact O-N 2.87Å; L2105-D2108 PolarHBondContact O-N 3.14Å; L2105-I2109 HydrophobicContact CG-CD1 4.27Å; L2105-I2109 VanDerWaalsContact O-CG1 3.24Å; L2105-I2109 WeakPolarHBondContact O-CG1 3.44Å; L2105-I2109 PolarHBondContact O-N 3.01Å
2106L86.4Confident79.9Confident3 Ų338.3 Ų38.32%0.01618%0.177CC..Hα-helixtrans-60.7-37.3173.2-67171.8000111.7V2096 I2100 C2102 T2104 L2110 L2207 A2210 A2211V2096-L2106 HydrophobicContact CG1-CD2 4.25Å; I2100-L2106 HydrophobicContact CB-CD2 4.13Å; I2100-L2106 HydrophobicContact CG2-CD2 4.03Å; I2100-L2106 HydrophobicContact CG2-CG 4.22Å; C2102-L2106 WeakPolarHBondContact O-CG 3.35Å; C2102-L2106 PolarHBondContact O-N 3.28Å; C2102-L2106 VanDerWaalsContact O-N 3.1Å; T2104-L2106 PolarHBondContact O-N 3.02Å; L2106-L2110 WeakPolarHBondContact O-CB 3.35Å; L2106-L2110 PolarHBondContact O-N 2.88Å; L2106-L2207 HydrophobicContact CB-CD1 4.23Å; L2106-L2207 HydrophobicContact CD2-CD1 3.68Å; L2106-A2210 HydrophobicContact CD1-CB 4.3Å; L2106-A2211 HydrophobicContact CB-CB 3.96Å
2107T83.8Confident78.3Confident12 Ų1239.9 Ų39.97%0.07419%0.187CC..Hα-helixtrans-69.6-42.3177.3-56.90000111.8P2103 T2104 L2105 I2109 L2110 H2111 F2215 T2244P2103-T2107 WeakPolarHBondContact O-CB 3.43Å; P2103-T2107 PolarHBondContact O-N 3.29Å; P2103-T2107 PolarHBondContact O-OG1 3.01Å; T2104-T2107 WeakPolarHBondContact O-CB 3.4Å; T2104-T2107 PolarHBondContact O-N 2.95Å; T2104-T2107 VanDerWaalsContact O-N 3.14Å; L2105-T2107 VanDerWaalsContact C-N 3.26Å; L2105-T2107 PolarHBondContact O-N 2.87Å; T2107-I2109 VanDerWaalsContact C-N 3.35Å; T2107-I2109 PolarHBondContact O-N 3.04Å; T2107-L2110 WeakPolarHBondContact O-CB 3.43Å; T2107-L2110 PolarHBondContact O-N 2.99Å; T2107-L2110 VanDerWaalsContact O-N 3.14Å; T2107-H2111 PolarHBondContact O-CD2 3.35Å; T2107-H2111 VanDerWaalsContact O-CD2 3.3Å; T2107-H2111 PolarHBondContact O-N 3.4Å; T2107-F2215 WeakPolarHBondContact OG1-CE2 3.39Å; T2107-T2244 HydrophobicContact CG2-CG2 4.01Å; T2107-T2244 WeakPolarHBondContact CG2-OG1 3.47Å
2108D82.7Confident75.9Confident78 Ų7843.5 Ų43.542%0.41722%0.215SC..Hα-helixtrans-62.9-39.8174.3-84.9-18.3000112.5L2075 T2104 L2105 L2110 H2111 R2112L2075-D2108 HydrophobicContact CD2-CB 4.38Å; T2104-D2108 PolarHBondContact O-N 2.86Å; L2105-D2108 PolarHBondContact O-N 3.14Å; D2108-L2110 VanDerWaalsContact C-N 3.34Å; D2108-H2111 PolarHBondContact O-N 3.38Å; D2108-R2112 WeakPolarHBondContact O-CB 3.37Å; D2108-R2112 VanDerWaalsContact O-CG 3.29Å; D2108-R2112 WeakPolarHBondContact O-CG 3.45Å; D2108-R2112 PolarHBondContact O-N 3.07Å
2109I83.6Confident73.5Confident1 Ų140.1 Ų40.11%0.00523%0.225CC..Hα-helixtrans-62.9-43.4172.6-63.2164.3000109.6V2074 L2075 C2078 L2093 V2096 L2105 T2107 H2111 R2112 C2113 L2207V2074-I2109 HydrophobicContact CG1-CD1 4.25Å; L2075-I2109 HydrophobicContact CD2-CG1 3.6Å; L2075-I2109 HydrophobicContact CG-CG1 4.43Å; C2078-I2109 HydrophobicContact CB-CG2 4.41Å; L2093-I2109 HydrophobicContact CD2-CG2 3.78Å; V2096-I2109 HydrophobicContact CG1-CD1 3.93Å; L2105-I2109 HydrophobicContact CG-CD1 4.27Å; L2105-I2109 VanDerWaalsContact O-CG1 3.24Å; L2105-I2109 WeakPolarHBondContact O-CG1 3.44Å; L2105-I2109 PolarHBondContact O-N 3.01Å; T2107-I2109 VanDerWaalsContact C-N 3.35Å; T2107-I2109 PolarHBondContact O-N 3.04Å; I2109-H2111 PolarHBondContact O-N 3.03Å; I2109-R2112 PolarHBondContact O-N 3.16Å; I2109-C2113 VanDerWaalsContact O-CB 3.25Å; I2109-C2113 WeakPolarHBondContact O-CB 3.43Å; I2109-C2113 PolarHBondContact O-N 3.22Å; I2109-C2113 PolarHBondContact O-SG 3.2Å; I2109-L2207 HydrophobicContact CB-CD2 4.23Å; I2109-L2207 HydrophobicContact CG2-CD2 3.75Å
2110L83.8Confident71.1Confident2 Ų243.2 Ų43.21%0.0125%0.245CC..Hα-helixtrans-59.9-46.6177.5-172.879.4000112L2106 T2107 D2108 R2114 L2199 L2204 L2207 L2208 L2247L2106-L2110 WeakPolarHBondContact O-CB 3.35Å; L2106-L2110 PolarHBondContact O-N 2.88Å; T2107-L2110 WeakPolarHBondContact O-CB 3.43Å; T2107-L2110 PolarHBondContact O-N 2.99Å; T2107-L2110 VanDerWaalsContact O-N 3.14Å; D2108-L2110 VanDerWaalsContact C-N 3.34Å; L2110-R2114 VanDerWaalsContact O-CB 3.26Å; L2110-R2114 WeakPolarHBondContact O-CB 3.33Å; L2110-R2114 PolarHBondContact O-N 3.09Å; L2110-L2199 HydrophobicContact CD1-CD2 3.9Å; L2110-L2199 HydrophobicContact CD2-CD2 4.11Å; L2110-L2199 HydrophobicContact CG-CD2 4.13Å; L2110-L2204 HydrophobicContact CD1-CB 4.22Å; L2110-L2204 HydrophobicContact CD1-CD2 4.35Å; L2110-L2207 HydrophobicContact CB-CD2 3.9Å; L2110-L2207 HydrophobicContact CB-CG 4.25Å; L2110-L2207 HydrophobicContact CD1-CB 4.07Å; L2110-L2207 HydrophobicContact CD1-CD2 3.94Å; L2110-L2207 HydrophobicContact CD1-CG 4.02Å; L2110-L2208 HydrophobicContact CD1-CB 4.1Å; L2110-L2208 HydrophobicContact CD2-CB 4.24Å; L2110-L2208 HydrophobicContact CD2-CD1 3.78Å; L2110-L2247 HydrophobicContact CD2-CD1 3.72Å
2111H80.5Confident68.5Low49 Ų4951.1 Ų51.123%0.22728%0.282CS..Hα-helixtrans-62.9-46177.7-84.7-90.8000112T2107 D2108 I2109 R2114 S2115 F2172T2107-H2111 PolarHBondContact O-CD2 3.35Å; T2107-H2111 VanDerWaalsContact O-CD2 3.3Å; T2107-H2111 PolarHBondContact O-N 3.4Å; D2108-H2111 PolarHBondContact O-N 3.38Å; I2109-H2111 PolarHBondContact O-N 3.03Å; H2111-R2114 PolarHBondContact O-N 2.92Å; H2111-S2115 PolarHBondContact O-N 2.99Å; H2111-S2115 PolarHBondContact O-OG 3.05Å; H2111-F2172 AromaticContact ND1-CD2 3.73Å; H2111-F2172 AromaticContact ND1-CE2 3.43Å; H2111-F2172 WeakPolarHBondContact ND1-CE2 3.36Å; H2111-F2172 AromaticContact ND1-CZ 3.81Å
2112R77.2Confident65.9Low129 Ų12953.5 Ų53.549%0.48730%0.295SS..Hα-helixtrans-70.9-31.9-178.9-67.9168.9-171.5-108.97113.4D2108 I2109 S2115D2108-R2112 WeakPolarHBondContact O-CB 3.37Å; D2108-R2112 VanDerWaalsContact O-CG 3.29Å; D2108-R2112 WeakPolarHBondContact O-CG 3.45Å; D2108-R2112 PolarHBondContact O-N 3.07Å; I2109-R2112 PolarHBondContact O-N 3.16Å; R2112-S2115 PolarHBondContact O-OG 3.19Å
2113C76.4Confident63.1Low1 Ų159.6 Ų59.61%0.00733%0.328CS..Hα-helixtrans-81.3-15174.1-66.80000113.1I2109 L2197 L2204I2109-C2113 VanDerWaalsContact O-CB 3.25Å; I2109-C2113 WeakPolarHBondContact O-CB 3.43Å; I2109-C2113 PolarHBondContact O-N 3.22Å; I2109-C2113 PolarHBondContact O-SG 3.2Å; C2113-L2197 WeakPolarHBondContact O-CD1 3.48Å; C2113-L2204 HydrophobicContact CB-CD2 3.7Å
2114R72.2Confident60.4Low66 Ų6664.1 Ų64.125%0.24936%0.359CS..Hα-helixtrans-82.1-29.6173.1-172.6-179.4176.4-165.8-0.8112.9L2110 H2111 M2196 L2204L2110-R2114 VanDerWaalsContact O-CB 3.26Å; L2110-R2114 WeakPolarHBondContact O-CB 3.33Å; L2110-R2114 PolarHBondContact O-N 3.09Å; H2111-R2114 PolarHBondContact O-N 2.92Å; R2114-M2196 HydrophobicContact CG-CB 4.46Å; R2114-M2196 HydrophobicContact CG-CE 4.07Å; R2114-M2196 HydrophobicContact CG-SD 4.45Å; R2114-L2204 HydrophobicContact CB-CD1 4.17Å; R2114-L2204 HydrophobicContact CG-CD1 4.43Å
2115S66.3Low57.8Low26 Ų2669.6 Ų69.618%0.18239%0.393CS..SBendtrans-75.2133.6171.4440000112H2082 H2111 R2112H2082-S2115 PolarHBondContact CE1-O 3.45Å; H2111-S2115 PolarHBondContact O-N 2.99Å; H2111-S2115 PolarHBondContact O-OG 3.05Å; R2112-S2115 PolarHBondContact O-OG 3.19Å
2116I52.7Low55.1Low98 Ų9875.5 Ų75.550%0.50343%0.425SS..  trans-64.9132.1173.5-60.7173.7000108.9C2118I2116-C2118 PolarHBondContact O-N 3.44Å
2117P51Low52.1Low36 Ų3680.4 Ų80.423%0.23446%0.458CS..  trans-70.6114.4-17927-31.1000110.3G2119 V2120P2117-G2119 PolarHBondContact O-N 3.26Å; P2117-G2119 VanDerWaalsContact O-N 3.1Å; P2117-V2120 HydrophobicContact CG-CG2 3.9Å
2118C34.1Very low49.3Very low120 Ų12086.3 Ų86.381%0.81149%0.489SS*.THydrogen-bonded Turntrans-70104.9173.1-62.30000108.6I2116I2116-C2118 PolarHBondContact O-N 3.44Å
2119G35.6Very low46.6Very low74 Ų7489.6 Ų89.676%0.76351%0.505SS*.THydrogen-bonded Turntrans1439.3-173.700000116.1P2117 H2121P2117-G2119 PolarHBondContact O-N 3.26Å; P2117-G2119 VanDerWaalsContact O-N 3.1Å; G2119-H2121 PolarHBondContact O-N 2.93Å
2120V30.3Very low43.7Very low90 Ų9095.8 Ų95.855%0.54554%0.538SS..  trans-75.771.3175.4-175.60000110.6P2117 I2122P2117-V2120 HydrophobicContact CG-CG2 3.9Å; V2120-I2122 HydrophobicContact CG1-CD1 3.47Å; V2120-I2122 VanDerWaalsContact CG1-CD1 3.47Å; V2120-I2122 HydrophobicContact CG1-CG1 3.55Å; V2120-I2122 PolarHBondContact O-N 2.98Å
2121H28.8Very low41Very low167 Ų167102.4 Ų102.477%0.77357%0.571SS**  trans-8483.8163.2-130.3-68.3000108.7G2119 N2123G2119-H2121 PolarHBondContact O-N 2.93Å; H2121-N2123 VanDerWaalsContact C-N 3.28Å; H2121-N2123 PolarHBondContact ND1-OD1 3.38Å; H2121-N2123 PolarHBondContact O-N 2.92Å
2122I27.8Very low38.4Very low128 Ų128106.1 Ų106.166%0.65659%0.592SS**  trans-76.685.3171.1-66.3169.3000108V2120 S2124V2120-I2122 HydrophobicContact CG1-CD1 3.47Å; V2120-I2122 VanDerWaalsContact CG1-CD1 3.47Å; V2120-I2122 HydrophobicContact CG1-CG1 3.55Å; V2120-I2122 PolarHBondContact O-N 2.98Å; I2122-S2124 VanDerWaalsContact C-N 3.33Å; I2122-S2124 PolarHBondContact O-N 3.36Å
2123N26.7Very low36.1Very low131 Ų131106 Ų10670%0.70160%0.601SS**  trans-92.277152.4-76.631000107.2H2121 T2125H2121-N2123 VanDerWaalsContact C-N 3.28Å; H2121-N2123 PolarHBondContact ND1-OD1 3.38Å; H2121-N2123 PolarHBondContact O-N 2.92Å; N2123-T2125 PolarHBondContact O-N 2.94Å
2124S23.7Very low34Very low96 Ų96112.1 Ų112.167%0.67163%0.634SS**  trans-85.478.5-176.9170.90000112.1I2122I2122-S2124 VanDerWaalsContact C-N 3.33Å; I2122-S2124 PolarHBondContact O-N 3.36Å
2125T28.5Very low32Very low130 Ų130115.8 Ų115.880%0.79866%0.659SS**  trans-153.314216145.90000111N2123N2123-T2125 PolarHBondContact O-N 2.94Å
2126N26.2Very low30.4Very low149 Ų149121.9 Ų121.980%0.79769%0.688SS**  cis-155.1166.4-36.3-157.9-1.8000107.7
2127C23.2Very low29.3Very low105 Ų105124.3 Ų124.371%0.70970%0.702SS**  trans-75.4121.9165.1-610000110.1
2128N24.8Very low28.2Very low137 Ų137125.8 Ų125.873%0.73372%0.723SS**  -176.3145.5114.2-104.1-18.9000117
2129I24.9Very low28.1Very low147 Ų147127.8 Ų127.875%0.75473%0.725SS**  15123.6124.6-60.2168.8000117.7
2130N24Very low27.7Very low130 Ų130127.9 Ų127.970%0.69571%0.708SS**  trans-35.3132.3157.2-15017.4000112.6
2131M25.1Very low27.6Very low141 Ų141128.2 Ų128.270%0.69571%0.714SS**  -166.416356-84.8-173.8176.400112.9
2132N27.8Very low27.5Very low127 Ų127125.6 Ų125.668%0.67971%0.714SS**  trans62.4118.4143.8-67.1-0.6000122
2133N29Very low27.4Very low126 Ų126124 Ų12467%0.67472%0.715SS**  trans93101.8131.2-65.56.2000121.1
2134N31.4Very low27.5Very low130 Ų130122.9 Ų122.970%0.69572%0.717SS**  85.7104.6124.8-59.4-3.4000119.8
2135N29.3Very low27.6Very low143 Ų143123.4 Ų123.477%0.76572%0.72SS**  20.9134.4126.1-63.26.6000119.1
2136I32.9Very low27.7Very low155 Ų155122.7 Ų122.780%0.79572%0.721SS**  -155.2134.9101.6-98.9152.3000111.2
2137N30.5Very low27.7Very low148 Ų148120.7 Ų120.779%0.79172%0.718SS**  trans-0.2149.7153.9-37.2-19.8000118.3
2138G28.1Very low28.1Very low67 Ų67123.9 Ų123.969%0.69173%0.725SS**  cis153.7-164.612.400000110.5
2139I32Very low28.3Very low163 Ų163124.9 Ų124.984%0.83673%0.727SS**  trans91.870.9174.8-47173.5000116.9
2140D26.3Very low28.7Very low76 Ų76126.2 Ų126.241%0.40673%0.732SS.*  47.1110105.6-68-79.9000124.4N1885N1885-D2140 PolarHBondContact ND2-OD1 2.91Å; N1885-D2140 PolarHBondContact ND2-OD2 3.08Å
2141S27.8Very low28.9Very low96 Ų96127.9 Ų127.967%0.67174%0.738SS**  106.612510376.50000123.1
2142S26.9Very low29.1Very low112 Ų112127.8 Ų127.878%0.78374%0.74SS**  trans76.4158137.494.70000119.1
2143S26.7Very low29.2Very low96 Ų96127.8 Ų127.867%0.67174%0.74SS**  cis-159.1165.51.251.90000114
2144S29Very low29Very low106 Ų106128 Ų12874%0.74174%0.741SS**  trans76.5151.1150.879.90000120.7
2145S25.5Very low28.8Very low107 Ų107129.4 Ų129.475%0.74875%0.746SS**  cis-171.9166.5-19.5-97.10000113.2
2146S30.2Very low28.6Very low116 Ų116128.1 Ų128.181%0.81174%0.743SS**  trans90146164-42.80000118
2147S25.9Very low28.1Very low106 Ų106128 Ų12874%0.74174%0.744SS**  cis-170.1-179.3-12.7-102.20000113
2148M32.2Very low27.8Very low172 Ų172126.1 Ų126.185%0.84774%0.743SS**  trans86.4135.8175.4-52.5-17972.400116.1
2149M29.9Very low27.8Very low159 Ų159130.9 Ų130.978%0.78375%0.75SS**  cis82.2137.729.2-61.6-174.5178.600114.9
2150M32Very low27.5Very low174 Ų174129.1 Ų129.186%0.85775%0.75SS**  cis-156-162.7-6.2-120.6-176.2-170.600112.3
2151M28.9Very low27.5Very low166 Ų166131 Ų13182%0.81877%0.769SS**  trans-102.2158.9-161.6-61168.1158.300118.2
2152N29Very low27.4Very low139 Ų139133.3 Ų133.374%0.74378%0.779SS**  trans59.7151.9145.1-73.20.2000120.1
2153N29.4Very low27.3Very low127 Ų127131 Ų13168%0.67977%0.772SS**  cis-166159.721.8-127.3-6.8000113.8
2154N26.4Very low27.4Very low129 Ų129138.7 Ų138.769%0.6979%0.787SS**  trans66.2135.9148.9-80.2-7.8000126.9
2155M25.2Very low27.3Very low160 Ų160136.9 Ų136.979%0.78879%0.785SS**  trans80104.6139.5-74.4-177.3176.800124.7
2156T25.1Very low27.3Very low116 Ų116139.2 Ų139.271%0.71279%0.789SS**  trans59.2118.8130.160.40000123.8
2157N24Very low27Very low152 Ų152137.8 Ų137.881%0.81378%0.779SS**  trans76.3151140.1-65.7-10.4000121.7
2158S22.7Very low27.1Very low109 Ų109139 Ų13976%0.76279%0.786SS**  trans78.588.3160.1-54.50000119.7
2159I28.2Very low26.7Very low167 Ų167133.5 Ų133.586%0.85677%0.768SS**  30117.3119.3-59.5175.9000115.4
2160P25.7Very low26.4Very low126 Ų126130.3 Ų130.382%0.81876%0.757SS**  -143.717277.238.9-21.9000118.2V2162P2160-V2162 PolarHBondContact O-N 2.75Å
2161S25.9Very low26Very low117 Ų117127.7 Ų127.782%0.81874%0.743SS**  trans-71.4112.9-171.6161.10000116
2162V27Very low25.7Very low143 Ų143127.1 Ų127.187%0.86774%0.736SS**  trans-148.2141.4136.3-179.90000106.1P2160P2160-V2162 PolarHBondContact O-N 2.75Å
2163G23.7Very low25.5Very low63 Ų63124.5 Ų124.565%0.64973%0.727SS**  cis136.358.13.200000112.6
2164R29.7Very low25.6Very low258 Ų258126.1 Ų126.197%0.97474%0.736SS**  trans-178.2139.6173.1-98.4166.9-167-146.54.2107.1
2165G26.4Very low25.9Very low68 Ų68125.3 Ų125.370%0.70174%0.738SS**  cis-141.1153.9-23.400000106.8
2166N24.9Very low26.1Very low156 Ų156123.8 Ų123.883%0.83474%0.738SS**  43.5105.664.3-82.72.7000113.6
2167S24.5Very low26.2Very low87 Ų87124.2 Ų124.261%0.60874%0.743SS**  5095.6123.3-55.60000119.1
2168C27.5Very low26.2Very low132 Ų132124.9 Ų124.989%0.89274%0.741SS**  trans-127.695.4132.558.20000107.7
2169A25.4Very low26.3Very low55 Ų55129.6 Ų129.646%0.45574%0.743SS.*SBendcis60.2106.719.800000114.4H2171A2169-H2171 VanDerWaalsContact C-N 3.32Å; A2169-H2171 PolarHBondContact O-CD2 3.19Å
2170T22.2Very low26.3Very low93 Ų93127.7 Ų127.757%0.57174%0.739SS**  trans-83.883.4133.850.60000106.3
2171H24.7Very low26.3Very low118 Ų118128.3 Ų128.355%0.54674%0.735SS.*  42.688.194.6-89-84.5000113.1A2169A2169-H2171 VanDerWaalsContact C-N 3.32Å; A2169-H2171 PolarHBondContact O-CD2 3.19Å
2172F23Very low26.3Very low154 Ų154128.8 Ų128.868%0.67573%0.729SS**  -117.6111.999.3-83.9-97.1000106.6H2111H2111-F2172 AromaticContact ND1-CD2 3.73Å; H2111-F2172 AromaticContact ND1-CE2 3.43Å; H2111-F2172 WeakPolarHBondContact ND1-CE2 3.36Å; H2111-F2172 AromaticContact ND1-CZ 3.81Å
2173C24.6Very low26.4Very low84 Ų84128.5 Ų128.557%0.56872%0.722SS**  93.395.764.5-77.20000112.6
2174N30.1Very low26.5Very low162 Ų162132 Ų13287%0.86673%0.726SS**  trans-136.1151.5145.1-101-21.7000106.3
2175P32.9Very low26.5Very low112 Ų112127.3 Ų127.373%0.72772%0.72SS**  cis-127.9-170.5-13.741.3-25.7000112.1
2176T29.5Very low26.7Very low127 Ų127127 Ų12778%0.77972%0.718SS**  trans-84.2146.9153.440.80000109.8
2177P27.3Very low27Very low126 Ų126126.9 Ų126.982%0.81872%0.723SS**  -138.5-173.687.337.5-21.5000114.4
2178H25.4Very low27.3Very low166 Ų166126.4 Ų126.477%0.76973%0.731SS**  trans-96.6149-167-93.8-82.4000115.9
2179Y24.5Very low27.6Very low208 Ų208126.9 Ų126.982%0.81673%0.73SS**  trans67.4160.4150.7-91.3-77.5000120.9
2180V28.4Very low27.8Very low127 Ų127130 Ų13077%0.7775%0.749SS**  trans65.6109.6-177.4-168.50000112.8
2181N24.6Very low28.1Very low138 Ų138129 Ų12974%0.73876%0.756SS**  cis66.185.913.6-163.759.9000117.5
2182N26.1Very low28.3Very low127 Ų127129.6 Ų129.668%0.67977%0.772SS**  trans176.7137.3149.5-91-11000106.5
2183N29.5Very low28.7Very low137 Ų137128.5 Ų128.573%0.73378%0.779SS**  cis-126.8137.3-0.5-69.9-43.4000108.3
2184N26.2Very low29.4Very low136 Ų136127.9 Ų127.973%0.72779%0.786SS**  73.5133.272.9-102.3-4.7000116
2185N29.3Very low30.1Very low160 Ų160129.3 Ų129.386%0.85679%0.785SS**  trans76.2108.6173.1-55.4-7.5000117.2
2186G30.4Very low31Very low63 Ų63128.6 Ų128.665%0.64977%0.773SS**  cis-179.9172.4-5.300000116.3
2187T30.1Very low32.6Very low153 Ų153126 Ų12694%0.93975%0.753SS**  trans54.6121160.156.20000120.2
2188G31.8Very low34.3Very low76 Ų76122.8 Ų122.878%0.78473%0.734SS**  trans1768.8172.800000124.1
2189V34.4Very low36.1Very low142 Ų142115.4 Ų115.486%0.86170%0.7SS**  trans47.699.8162.9-168.90000120.7
2190S29.7Very low37.8Very low122 Ų122111.3 Ų111.385%0.85369%0.693SS**  trans49.3127.2130.8-153.30000124.4
2191G27.1Very low39.7Very low71 Ų71114 Ų11473%0.73269%0.689SS**  129.875.3111.600000122.3
2192C29.7Very low41.6Very low130 Ų130112.2 Ų112.288%0.87869%0.685SS**  trans-159121.6150.257.80000114
2193T31.1Very low43.5Very low132 Ų132107 Ų10781%0.8166%0.658SS**  trans-119.8113.8176.655.70000111.9K2195T2193-K2195 PolarHBondContact O-N 3.46Å
2194G39.7Very low45.9Very low70 Ų70100.5 Ų100.572%0.72262%0.623SS**PPolyproline II helixtrans-67.5127176.800000112.6M2196G2194-M2196 PolarHBondContact O-N 2.97Å
2195K45Very low48.4Very low193 Ų19398.9 Ų98.984%0.83961%0.61SS**PPolyproline II helixtrans-79.5117.7179.6-65.1175.4-178.3173.70110.2T2193T2193-K2195 PolarHBondContact O-N 3.46Å
2196M50.8Low50.9Low97 Ų9793 Ų9348%0.47859%0.587SS.*PPolyproline II helixtrans-63.1158.2170.3-56-168.496.800111R2114 G2194 S2198R2114-M2196 HydrophobicContact CG-CB 4.46Å; R2114-M2196 HydrophobicContact CG-CE 4.07Å; R2114-M2196 HydrophobicContact CG-SD 4.45Å; G2194-M2196 PolarHBondContact O-N 2.97Å; M2196-S2198 PolarHBondContact O-N 3.46Å
2197L64Low53.5Low71 Ų7190 Ų9037%0.37256%0.556SS.*PPolyproline II helixtrans-61.3131.4169.9-75.3167.4000110.5C2113 L2199 L2204C2113-L2197 WeakPolarHBondContact O-CD1 3.48Å; L2197-L2199 PolarHBondContact O-N 2.84Å; L2197-L2204 HydrophobicContact CB-CD1 3.62Å
2198S61.8Low56Low59 Ų5983 Ų8341%0.41351%0.513SS..PPolyproline II helixtrans-70.8124.6-178.5-156.30000110M2196 D2200 R2201M2196-S2198 PolarHBondContact O-N 3.46Å; S2198-D2200 PolarHBondContact O-N 3.42Å; S2198-D2200 PolarHBondContact OG-OD2 3.47Å; S2198-D2200 VanDerWaalsContact OG-OD2 3.13Å; S2198-R2201 PolarHBondContact O-N 2.84Å
2199L62.7Low58.5Low12 Ų1282.5 Ų82.56%0.06349%0.492CS..THydrogen-bonded Turntrans-63.3-28.9177-76.2163.5000112.3L2110 L2197 R2201 L2204 K2205 L2208 L2247L2110-L2199 HydrophobicContact CD1-CD2 3.9Å; L2110-L2199 HydrophobicContact CD2-CD2 4.11Å; L2110-L2199 HydrophobicContact CG-CD2 4.13Å; L2197-L2199 PolarHBondContact O-N 2.84Å; L2199-R2201 PolarHBondContact O-N 3.02Å; L2199-L2204 HydrophobicContact CD2-CB 4.49Å; L2199-K2205 VanDerWaalsContact O-CA 3.28Å; L2199-K2205 WeakPolarHBondContact O-CA 3.28Å; L2199-K2205 WeakPolarHBondContact O-CB 3.24Å; L2199-K2205 PolarHBondContact O-N 3.29Å; L2199-L2208 HydrophobicContact CB-CD2 4.2Å; L2199-L2208 HydrophobicContact CD2-CD2 4.32Å; L2199-L2247 HydrophobicContact CD1-CB 4.07Å
2200D61.1Low60.9Low122 Ų12276.9 Ų76.965%0.65246%0.461SS*.THydrogen-bonded Turntrans-74.1-3-177-39.1-81.7000114S2198S2198-D2200 PolarHBondContact O-N 3.42Å; S2198-D2200 PolarHBondContact OG-OD2 3.47Å; S2198-D2200 VanDerWaalsContact OG-OD2 3.13Å
2201R67.5Low63.6Low182 Ų18271.1 Ų71.169%0.68742%0.42SS*.SBendtrans-124.4150.8-176.6-65.5-172.8178.2-165.8-2.2111.5S2198 L2199 L2204 K2205S2198-R2201 PolarHBondContact O-N 2.84Å; L2199-R2201 PolarHBondContact O-N 3.02Å; R2201-L2204 PolarHBondContact O-N 3.17Å; R2201-K2205 PolarHBondContact O-N 2.83Å; R2201-K2205 VanDerWaalsContact O-N 3.15Å
2202P65.5Low66.4Low101 Ų10168.4 Ų68.466%0.65639%0.389SS*.THydrogen-bonded Turntrans-61.1147.6167.827-34000110.4
2203P66.3Low69.1Low18 Ų1866.9 Ų66.912%0.11737%0.372CS..THydrogen-bonded Turncis-80.4-17.87.531.7-36.6000115.2L2089 Q2090 L2093 K2205L2089-P2203 HydrophobicContact CD2-CG 4.25Å; Q2090-P2203 HydrophobicContact CB-CB 4.45Å; Q2090-P2203 VanDerWaalsContact OE1-CA 3.28Å; L2093-P2203 HydrophobicContact CD1-CB 3.9Å; L2093-P2203 HydrophobicContact CD1-CG 4.34Å; P2203-K2205 PolarHBondContact O-N 3.19Å
2204L78.8Confident71.7Confident1 Ų161 Ų611%0.00534%0.338CS..Hα-helixtrans-72.8-30.7-165.6-63.2-179.5000114.4L2110 C2113 R2114 L2197 L2199 R2201 G2206 L2207 L2208L2110-L2204 HydrophobicContact CD1-CB 4.22Å; L2110-L2204 HydrophobicContact CD1-CD2 4.35Å; C2113-L2204 HydrophobicContact CB-CD2 3.7Å; R2114-L2204 HydrophobicContact CB-CD1 4.17Å; R2114-L2204 HydrophobicContact CG-CD1 4.43Å; L2197-L2204 HydrophobicContact CB-CD1 3.62Å; L2199-L2204 HydrophobicContact CD2-CB 4.49Å; R2201-L2204 PolarHBondContact O-N 3.17Å; L2204-G2206 PolarHBondContact O-N 3.4Å; L2204-L2207 WeakPolarHBondContact O-CB 3.19Å; L2204-L2207 PolarHBondContact O-N 3.02Å; L2204-L2207 VanDerWaalsContact O-N 3.07Å; L2204-L2208 PolarHBondContact O-N 2.82Å
2205K79.6Confident73.9Confident101 Ų10157.8 Ų57.844%0.43930%0.304SS..Hα-helixtrans-54.5-50.1-177.2-177168.3179.6172.90113.4L2199 R2201 P2203 L2207 L2208 D2209L2199-K2205 VanDerWaalsContact O-CA 3.28Å; L2199-K2205 WeakPolarHBondContact O-CA 3.28Å; L2199-K2205 WeakPolarHBondContact O-CB 3.24Å; L2199-K2205 PolarHBondContact O-N 3.29Å; R2201-K2205 PolarHBondContact O-N 2.83Å; R2201-K2205 VanDerWaalsContact O-N 3.15Å; P2203-K2205 PolarHBondContact O-N 3.19Å; K2205-L2207 PolarHBondContact O-N 3.42Å; K2205-L2208 WeakPolarHBondContact O-CB 3.35Å; K2205-L2208 PolarHBondContact O-N 3.09Å; K2205-L2208 VanDerWaalsContact O-N 3.14Å; K2205-D2209 WeakPolarHBondContact CG-OD2 3.42Å; K2205-D2209 PolarHBondContact O-N 3.31Å
2206G81.1Confident75.8Confident36 Ų3650.1 Ų50.137%0.37127%0.273SS..Hα-helixtrans-64.5-25.1-179.700000113.8L2204 A2210L2204-G2206 PolarHBondContact O-N 3.4Å; G2206-A2210 VanDerWaalsContact O-CB 3.28Å; G2206-A2210 WeakPolarHBondContact O-CB 3.3Å; G2206-A2210 PolarHBondContact O-N 2.93Å
2207L84.7Confident77.4Confident0 Ų050.6 Ų50.60%028%0.275CS..Hα-helixtrans-77.3-38.7174.6-176.364.6000111.8L2093 I2097 L2106 I2109 L2110 L2204 K2205 A2210 A2211L2093-L2207 HydrophobicContact CD2-CD2 4.08Å; I2097-L2207 HydrophobicContact CD1-CB 4.15Å; I2097-L2207 HydrophobicContact CG1-CB 4.42Å; I2097-L2207 HydrophobicContact CG1-CD1 3.97Å; L2106-L2207 HydrophobicContact CB-CD1 4.23Å; L2106-L2207 HydrophobicContact CD2-CD1 3.68Å; I2109-L2207 HydrophobicContact CB-CD2 4.23Å; I2109-L2207 HydrophobicContact CG2-CD2 3.75Å; L2110-L2207 HydrophobicContact CB-CD2 3.9Å; L2110-L2207 HydrophobicContact CB-CG 4.25Å; L2110-L2207 HydrophobicContact CD1-CB 4.07Å; L2110-L2207 HydrophobicContact CD1-CD2 3.94Å; L2110-L2207 HydrophobicContact CD1-CG 4.02Å; L2204-L2207 WeakPolarHBondContact O-CB 3.19Å; L2204-L2207 PolarHBondContact O-N 3.02Å; L2204-L2207 VanDerWaalsContact O-N 3.07Å; K2205-L2207 PolarHBondContact O-N 3.42Å; L2207-A2210 PolarHBondContact O-N 2.88Å; L2207-A2211 WeakPolarHBondContact O-CB 3.18Å; L2207-A2211 PolarHBondContact O-N 3.48Å
2208L83.6Confident78.4Confident8 Ų847.3 Ų47.34%0.04226%0.258CS..Hα-helixtrans-63.7-49.4174175.365.3000111.2L2110 L2199 L2204 K2205 A2210 A2211 I2212 L2247 L2248L2110-L2208 HydrophobicContact CD1-CB 4.1Å; L2110-L2208 HydrophobicContact CD2-CB 4.24Å; L2110-L2208 HydrophobicContact CD2-CD1 3.78Å; L2199-L2208 HydrophobicContact CB-CD2 4.2Å; L2199-L2208 HydrophobicContact CD2-CD2 4.32Å; L2204-L2208 PolarHBondContact O-N 2.82Å; K2205-L2208 WeakPolarHBondContact O-CB 3.35Å; K2205-L2208 PolarHBondContact O-N 3.09Å; K2205-L2208 VanDerWaalsContact O-N 3.14Å; L2208-A2210 VanDerWaalsContact C-N 3.28Å; L2208-A2210 PolarHBondContact O-N 2.77Å; L2208-A2211 PolarHBondContact O-N 3.14Å; L2208-I2212 HydrophobicContact CD1-CD1 3.82Å; L2208-I2212 HydrophobicContact CD1-CG1 4.45Å; L2208-I2212 HydrophobicContact CG-CD1 4Å; L2208-I2212 WeakPolarHBondContact O-CG1 3.46Å; L2208-I2212 PolarHBondContact O-N 3.05Å; L2208-L2247 HydrophobicContact CD1-CB 4.16Å; L2208-L2247 HydrophobicContact CD1-CD1 4.42Å; L2208-L2248 HydrophobicContact CD1-CD1 4.02Å; L2208-L2248 HydrophobicContact CD2-CD1 3.7Å; L2208-L2248 HydrophobicContact CD2-CG 4.47Å; L2208-L2248 HydrophobicContact CG-CD1 3.94Å
2209D84.5Confident79.5Confident65 Ų6544.5 Ų44.535%0.34824%0.239SC..Hα-helixtrans-59.8-39.5177.7-65.5-27.7000111K2205 N2213K2205-D2209 WeakPolarHBondContact CG-OD2 3.42Å; K2205-D2209 PolarHBondContact O-N 3.31Å; D2209-N2213 PolarHBondContact O-N 2.93Å; D2209-N2213 VanDerWaalsContact O-N 3.16Å; D2209-N2213 PolarHBondContact O-ND2 3.33Å
2210A85.5Confident80.5Confident24 Ų2447.8 Ų47.820%0.19825%0.254CS..Hα-helixtrans-68.2-42.7175.400000113.2I2097 L2106 G2206 L2207 L2208 I2212 G2214I2097-A2210 HydrophobicContact CG2-CB 4.01Å; L2106-A2210 HydrophobicContact CD1-CB 4.3Å; G2206-A2210 VanDerWaalsContact O-CB 3.28Å; G2206-A2210 WeakPolarHBondContact O-CB 3.3Å; G2206-A2210 PolarHBondContact O-N 2.93Å; L2207-A2210 PolarHBondContact O-N 2.88Å; L2208-A2210 VanDerWaalsContact C-N 3.28Å; L2208-A2210 PolarHBondContact O-N 2.77Å; A2210-I2212 PolarHBondContact O-N 3.18Å; A2210-G2214 PolarHBondContact O-N 2.91Å
2211A85.9Confident81.4Confident0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-61.9-42.217800000111.9L2106 L2207 L2208 G2214 F2215L2106-A2211 HydrophobicContact CB-CB 3.96Å; L2207-A2211 WeakPolarHBondContact O-CB 3.18Å; L2207-A2211 PolarHBondContact O-N 3.48Å; L2208-A2211 PolarHBondContact O-N 3.14Å; A2211-G2214 PolarHBondContact O-N 3.45Å; A2211-F2215 WeakPolarHBondContact O-CD2 3.34Å; A2211-F2215 PolarHBondContact O-N 2.68Å
2212I84.7Confident81.9Confident14 Ų1441.9 Ų41.97%0.07223%0.229CC..Hα-helixtrans-65.1-49.9178.5-72.7166.5000111.3L2208 A2210 G2214 F2215 V2216 F2245 L2248L2208-I2212 HydrophobicContact CD1-CD1 3.82Å; L2208-I2212 HydrophobicContact CD1-CG1 4.45Å; L2208-I2212 HydrophobicContact CG-CD1 4Å; L2208-I2212 WeakPolarHBondContact O-CG1 3.46Å; L2208-I2212 PolarHBondContact O-N 3.05Å; A2210-I2212 PolarHBondContact O-N 3.18Å; I2212-G2214 VanDerWaalsContact C-N 3.28Å; I2212-G2214 PolarHBondContact O-N 2.85Å; I2212-F2215 PolarHBondContact O-N 2.86Å; I2212-F2215 VanDerWaalsContact O-N 3.11Å; I2212-V2216 WeakPolarHBondContact O-CG2 3.26Å; I2212-V2216 PolarHBondContact O-N 3.25Å; I2212-F2245 HydrophobicContact CB-CE2 4.39Å; I2212-F2245 HydrophobicContact CG1-CD2 4.27Å; I2212-F2245 HydrophobicContact CG1-CE2 4.3Å; I2212-F2245 HydrophobicContact CG2-CE1 4.24Å; I2212-F2245 HydrophobicContact CG2-CE2 3.93Å; I2212-F2245 HydrophobicContact CG2-CZ 3.77Å; I2212-L2248 HydrophobicContact CD1-CD1 3.25Å
2213N86.5Confident82.4Confident99 Ų9937.1 Ų37.153%0.52920%0.198SC..Hα-helixtrans-60.4-39.6175.7-79.8-73.1000111.6D2209 F2215 V2216 M2217D2209-N2213 PolarHBondContact O-N 2.93Å; D2209-N2213 VanDerWaalsContact O-N 3.16Å; D2209-N2213 PolarHBondContact O-ND2 3.33Å; N2213-F2215 PolarHBondContact O-N 3.43Å; N2213-V2216 PolarHBondContact O-N 3.43Å; N2213-M2217 WeakPolarHBondContact O-CG 3.46Å; N2213-M2217 PolarHBondContact O-N 2.88Å
2214G85.4Confident82.6Confident9 Ų939 Ų399%0.09322%0.216CC..Hα-helixtrans-58.2-44.1172.400000112.9A2210 A2211 I2212 A2218A2210-G2214 PolarHBondContact O-N 2.91Å; A2211-G2214 PolarHBondContact O-N 3.45Å; I2212-G2214 VanDerWaalsContact C-N 3.28Å; I2212-G2214 PolarHBondContact O-N 2.85Å; G2214-A2218 WeakPolarHBondContact O-CB 3.35Å; G2214-A2218 PolarHBondContact O-N 2.86Å
2215F86.3Confident82.2Confident1 Ų146.1 Ų46.10%0.00425%0.254CS..Hα-helixtrans-63.6-43.8176.6-94.6-64.5000112.4P2103 T2104 T2107 A2211 I2212 N2213 T2219 F2237 R2240 A2241 T2244 F2245P2103-F2215 HydrophobicContact CB-CB 4.34Å; P2103-F2215 HydrophobicContact CB-CD1 4.14Å; P2103-F2215 HydrophobicContact CB-CD2 3.74Å; P2103-F2215 HydrophobicContact CB-CE1 4.41Å; P2103-F2215 HydrophobicContact CB-CE2 4.02Å; P2103-F2215 HydrophobicContact CB-CG 3.79Å; P2103-F2215 HydrophobicContact CB-CZ 4.35Å; P2103-F2215 HydrophobicContact CG-CD1 4.23Å; P2103-F2215 HydrophobicContact CG-CE1 4.46Å; P2103-F2215 HydrophobicContact CG-CG 4.33Å; T2104-F2215 HydrophobicContact CG2-CZ 4.36Å; T2107-F2215 WeakPolarHBondContact OG1-CE2 3.39Å; A2211-F2215 WeakPolarHBondContact O-CD2 3.34Å; A2211-F2215 PolarHBondContact O-N 2.68Å; I2212-F2215 PolarHBondContact O-N 2.86Å; I2212-F2215 VanDerWaalsContact O-N 3.11Å; N2213-F2215 PolarHBondContact O-N 3.43Å; F2215-T2219 VanDerWaalsContact O-CB 3.31Å; F2215-T2219 WeakPolarHBondContact O-CB 3.44Å; F2215-T2219 PolarHBondContact O-N 3.13Å; F2215-T2219 PolarHBondContact O-OG1 2.9Å; F2215-F2237 AromaticContact CD1-CE1 3.97Å; F2215-F2237 HydrophobicContact CD1-CE1 3.97Å; F2215-F2237 AromaticContact CD1-CE2 3.83Å; F2215-F2237 HydrophobicContact CD1-CE2 3.83Å; F2215-F2237 AromaticContact CD1-CZ 3.44Å; F2215-F2237 HydrophobicContact CD1-CZ 3.44Å; F2215-F2237 VanDerWaalsContact CD1-CZ 3.44Å; F2215-F2237 HydrophobicContact CE1-CD2 4.1Å; F2215-F2237 HydrophobicContact CE1-CE1 4.35Å; F2215-F2237 AromaticContact CE1-CE2 3.58Å; F2215-F2237 HydrophobicContact CE1-CE2 3.58Å; F2215-F2237 AromaticContact CE1-CZ 3.72Å; F2215-F2237 HydrophobicContact CE1-CZ 3.72Å; F2215-R2240 HydrophobicContact CZ-CB 4.33Å; F2215-A2241 HydrophobicContact CB-CB 4.33Å; F2215-A2241 HydrophobicContact CD1-CB 3.41Å; F2215-A2241 VanDerWaalsContact CD1-CB 3.41Å; F2215-A2241 HydrophobicContact CE1-CB 3.72Å; F2215-A2241 HydrophobicContact CG-CB 3.86Å; F2215-A2241 HydrophobicContact CZ-CB 4.4Å; F2215-T2244 HydrophobicContact CD2-CG2 4.17Å; F2215-T2244 HydrophobicContact CE2-CG2 3.98Å; F2215-T2244 VanDerWaalsContact CE2-OG1 3.28Å; F2215-T2244 WeakPolarHBondContact CE2-OG1 3.43Å; F2215-F2245 HydrophobicContact CB-CE2 4.13Å
2216V85.9Confident82.1Confident33 Ų3341.8 Ų41.820%0.224%0.235CC..Hα-helixtrans-61.6-51176.7179.10000110.6I2212 N2213 A2218 T2219 H2220 F2245 L2259I2212-V2216 WeakPolarHBondContact O-CG2 3.26Å; I2212-V2216 PolarHBondContact O-N 3.25Å; N2213-V2216 PolarHBondContact O-N 3.43Å; V2216-A2218 PolarHBondContact O-N 2.86Å; V2216-T2219 WeakPolarHBondContact O-CB 3.49Å; V2216-T2219 PolarHBondContact O-N 3.42Å; V2216-H2220 PolarHBondContact O-CD2 3.33Å; V2216-H2220 VanDerWaalsContact O-CD2 3.23Å; V2216-H2220 PolarHBondContact O-N 3.32Å; V2216-H2220 VanDerWaalsContact O-N 3.17Å; V2216-F2245 HydrophobicContact CG2-CZ 3.84Å; V2216-L2259 HydrophobicContact CG1-CD1 4.35Å
2217M84.9Confident82.1Confident106 Ų10642.2 Ų42.252%0.52223%0.232SC..Hα-helixtrans-61.6-45.2-179.8-68-61.6117.700112.3N2213 T2219 H2220 M2221N2213-M2217 WeakPolarHBondContact O-CG 3.46Å; N2213-M2217 PolarHBondContact O-N 2.88Å; M2217-T2219 VanDerWaalsContact C-N 3.32Å; M2217-T2219 PolarHBondContact O-N 3.14Å; M2217-H2220 PolarHBondContact O-N 3.19Å; M2217-M2221 WeakPolarHBondContact O-CB 3.46Å; M2217-M2221 VanDerWaalsContact O-CG 3.27Å; M2217-M2221 WeakPolarHBondContact O-CG 3.34Å; M2217-M2221 PolarHBondContact O-N 2.96Å
2218A84.4Confident81.8Confident2 Ų247 Ų472%0.01726%0.263CS..Hα-helixtrans-65.1-33.9177.200000112.6P2103 G2214 V2216 R2222 F2237P2103-A2218 HydrophobicContact CG-CB 4.15Å; G2214-A2218 WeakPolarHBondContact O-CB 3.35Å; G2214-A2218 PolarHBondContact O-N 2.86Å; V2216-A2218 PolarHBondContact O-N 2.86Å; A2218-R2222 WeakPolarHBondContact O-CB 3.18Å; A2218-R2222 WeakPolarHBondContact O-CG 3.22Å; A2218-R2222 PolarHBondContact O-N 3.02Å; A2218-F2237 HydrophobicContact CB-CE1 4.37Å; A2218-F2237 HydrophobicContact CB-CZ 3.71Å
2219T84.9Confident81.5Confident0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-61.1-52.9175.1-61.70000111.2F2215 V2216 M2217 M2221 R2222 L2223 F2234 L2238 L2263F2215-T2219 VanDerWaalsContact O-CB 3.31Å; F2215-T2219 WeakPolarHBondContact O-CB 3.44Å; F2215-T2219 PolarHBondContact O-N 3.13Å; F2215-T2219 PolarHBondContact O-OG1 2.9Å; V2216-T2219 WeakPolarHBondContact O-CB 3.49Å; V2216-T2219 PolarHBondContact O-N 3.42Å; M2217-T2219 VanDerWaalsContact C-N 3.32Å; M2217-T2219 PolarHBondContact O-N 3.14Å; T2219-M2221 PolarHBondContact O-N 2.81Å; T2219-R2222 PolarHBondContact O-N 3.46Å; T2219-L2223 HydrophobicContact CG2-CD1 4.13Å; T2219-L2223 WeakPolarHBondContact O-CG 3.48Å; T2219-L2223 PolarHBondContact O-N 3.07Å; T2219-F2234 HydrophobicContact CG2-CE2 4.28Å; T2219-F2234 HydrophobicContact CG2-CZ 3.96Å; T2219-L2238 HydrophobicContact CG2-CD2 3.92Å; T2219-L2263 HydrophobicContact CG2-CD1 3.83Å; T2219-L2263 HydrophobicContact CG2-CD2 4.04Å
2220H83.1Confident81.5Confident81 Ų8158.8 Ų58.838%0.37531%0.306SS..Hα-helixtrans-63.4-41.9178.5-71.4-72.2000112.2V2216 M2217 R2222 L2223V2216-H2220 PolarHBondContact O-CD2 3.33Å; V2216-H2220 VanDerWaalsContact O-CD2 3.23Å; V2216-H2220 PolarHBondContact O-N 3.32Å; V2216-H2220 VanDerWaalsContact O-N 3.17Å; M2217-H2220 PolarHBondContact O-N 3.19Å; H2220-R2222 PolarHBondContact O-N 2.89Å; H2220-L2223 PolarHBondContact O-N 3.22Å
2221M81Confident81.6Confident124 Ų12458.6 Ų58.661%0.61130%0.3SS*.Hα-helixtrans-62.2-40.4177.9-74.8-67.3-69.500113.1M2217 T2219M2217-M2221 WeakPolarHBondContact O-CB 3.46Å; M2217-M2221 VanDerWaalsContact O-CG 3.27Å; M2217-M2221 WeakPolarHBondContact O-CG 3.34Å; M2217-M2221 PolarHBondContact O-N 2.96Å; T2219-M2221 PolarHBondContact O-N 2.81Å
2222R78.3Confident81.4Confident56 Ų5661.5 Ų61.521%0.21132%0.324CS..Hα-helixtrans-70.9-36179.3-75.9179.7172.2-172.7-2.6112.7E2066 A2218 T2219 H2220 A2224 I2226 F2234E2066-R2222 IonicContact OE1-CZ 3.71Å; E2066-R2222 IonicContact OE1-NH1 3.94Å; E2066-R2222 PolarHBondContact OE1-NH1 3.06Å; E2066-R2222 IonicContact OE1-NH2 2.72Å; E2066-R2222 PolarHBondContact OE1-NH2 3.21Å; A2218-R2222 WeakPolarHBondContact O-CB 3.18Å; A2218-R2222 WeakPolarHBondContact O-CG 3.22Å; A2218-R2222 PolarHBondContact O-N 3.02Å; T2219-R2222 PolarHBondContact O-N 3.46Å; H2220-R2222 PolarHBondContact O-N 2.89Å; R2222-A2224 VanDerWaalsContact C-N 3.32Å; R2222-A2224 PolarHBondContact O-N 3.48Å; R2222-I2226 PolarHBondContact O-N 3.07Å; R2222-F2234 HydrophobicContact CB-CD2 4.05Å; R2222-F2234 HydrophobicContact CB-CE2 4.04Å
2223L74.6Confident81.3Confident2 Ų266 Ų661%0.0135%0.345CS..Hα-helixtrans-63.8-32.6-178.9-80.2163.9000114.4T2219 H2220 N2225 I2226 F2234 L2263 Y2267 L2273T2219-L2223 HydrophobicContact CG2-CD1 4.13Å; T2219-L2223 WeakPolarHBondContact O-CG 3.48Å; T2219-L2223 PolarHBondContact O-N 3.07Å; H2220-L2223 PolarHBondContact O-N 3.22Å; L2223-N2225 VanDerWaalsContact C-N 3.27Å; L2223-N2225 PolarHBondContact O-N 3.36Å; L2223-I2226 HydrophobicContact CD2-CG2 4.36Å; L2223-I2226 WeakPolarHBondContact O-CG2 3.44Å; L2223-I2226 PolarHBondContact O-N 3.49Å; L2223-F2234 HydrophobicContact CD1-CZ 3.89Å; L2223-F2234 HydrophobicContact CD2-CE1 3.68Å; L2223-F2234 HydrophobicContact CD2-CE2 4.31Å; L2223-F2234 HydrophobicContact CD2-CZ 3.56Å; L2223-F2234 HydrophobicContact CG-CE1 4.14Å; L2223-F2234 HydrophobicContact CG-CE2 3.96Å; L2223-F2234 HydrophobicContact CG-CZ 3.47Å; L2223-F2234 VanDerWaalsContact CG-CZ 3.47Å; L2223-L2263 HydrophobicContact CD1-CD1 4.02Å; L2223-L2263 HydrophobicContact CD1-CD2 3.48Å; L2223-L2263 VanDerWaalsContact CD1-CD2 3.48Å; L2223-L2263 HydrophobicContact CD1-CG 4.22Å; L2223-Y2267 HydrophobicContact CB-CE2 3.96Å; L2223-Y2267 HydrophobicContact CD1-CD2 4.42Å; L2223-Y2267 HydrophobicContact CD1-CE2 4.23Å; L2223-L2273 HydrophobicContact CD2-CD2 4.04Å
2224A71.9Confident81.4Confident58 Ų5861.5 Ų61.548%0.47932%0.321SS..Hα-helixtrans-52.5-44.7-176.600000112.6R2222R2222-A2224 VanDerWaalsContact C-N 3.32Å; R2222-A2224 PolarHBondContact O-N 3.48Å
2225N69.4Low81.4Confident150 Ų15061.5 Ų61.580%0.80232%0.319SS*.THydrogen-bonded Turntrans-116.113.9-174.3-70.1-32.8000114.3L2223 S2227L2223-N2225 VanDerWaalsContact C-N 3.27Å; L2223-N2225 PolarHBondContact O-N 3.36Å; N2225-S2227 PolarHBondContact O-N 2.99Å
2226I77.9Confident81.3Confident10 Ų1064.7 Ų64.75%0.05134%0.336CS..  trans-65.7123.5-173.2-165.5174.8000113.5R2222 L2223 Q2230 Y2231 F2234 K2270 L2273R2222-I2226 PolarHBondContact O-N 3.07Å; L2223-I2226 HydrophobicContact CD2-CG2 4.36Å; L2223-I2226 WeakPolarHBondContact O-CG2 3.44Å; L2223-I2226 PolarHBondContact O-N 3.49Å; I2226-Q2230 HydrophobicContact CD1-CB 4.37Å; I2226-Q2230 HydrophobicContact CG1-CB 3.85Å; I2226-Y2231 HydrophobicContact CD1-CD1 3.86Å; I2226-Y2231 HydrophobicContact CD1-CE1 4.35Å; I2226-Y2231 HydrophobicContact CG1-CD1 4.01Å; I2226-Y2231 HydrophobicContact CG1-CE1 4.18Å; I2226-Y2231 HydrophobicContact CG2-CE1 4.29Å; I2226-F2234 HydrophobicContact CD1-CB 3.43Å; I2226-F2234 VanDerWaalsContact CD1-CB 3.43Å; I2226-F2234 HydrophobicContact CD1-CD1 3.91Å; I2226-F2234 HydrophobicContact CD1-CD2 4.14Å; I2226-F2234 HydrophobicContact CD1-CG 3.55Å; I2226-K2270 HydrophobicContact CG2-CD 4.47Å; I2226-K2270 PolarHBondContact O-NZ 2.88Å; I2226-L2273 HydrophobicContact CG2-CD2 4.21Å
2227S81.6Confident81.4Confident45 Ų4563.2 Ų63.232%0.31533%0.327SS..  trans-89.2159.317576.40000112.5N2225 R2229 Q2230 Y2231N2225-S2227 PolarHBondContact O-N 2.99Å; S2227-R2229 PolarHBondContact O-N 2.98Å; S2227-Q2230 PolarHBondContact O-N 3.44Å; S2227-Q2230 PolarHBondContact OG-OE1 3.35Å; S2227-Y2231 VanDerWaalsContact O-CD1 3.28Å; S2227-Y2231 WeakPolarHBondContact O-CD1 3.38Å; S2227-Y2231 VanDerWaalsContact O-CE1 3.31Å; S2227-Y2231 WeakPolarHBondContact O-CE1 3.3Å
2228P77.7Confident81.5Confident99 Ų9958.1 Ų58.164%0.64330%0.302SS*.THydrogen-bonded Turntrans-59.5-17.9179.8-2635.9000116.2Y2231P2228-Y2231 HydrophobicContact CB-CE2 4.18Å
2229R78Confident81.6Confident241 Ų24159.2 Ų59.291%0.90931%0.308SS*.THydrogen-bonded Turntrans-78.5-23.1176.3-65.7-175.1179.7-174.5-0.2112.9S2227S2227-R2229 PolarHBondContact O-N 2.98Å
2230Q83Confident81.5Confident80 Ų8064.2 Ų64.237%0.37433%0.327SS..SBendtrans-94.12.4-175-67.3162.5-64.900113.2I2226 S2227 A2232 E2233 F2234I2226-Q2230 HydrophobicContact CD1-CB 4.37Å; I2226-Q2230 HydrophobicContact CG1-CB 3.85Å; S2227-Q2230 PolarHBondContact O-N 3.44Å; S2227-Q2230 PolarHBondContact OG-OE1 3.35Å; Q2230-A2232 VanDerWaalsContact C-N 3.32Å; Q2230-A2232 PolarHBondContact O-N 3.01Å; Q2230-E2233 PolarHBondContact O-N 3.33Å; Q2230-F2234 WeakPolarHBondContact O-CB 3.47Å; Q2230-F2234 PolarHBondContact O-N 2.96Å
2231Y87.8Confident81.6Confident20 Ų2060.4 Ų60.48%0.07831%0.309CS..Hα-helixtrans-63.9-34.7-175.8-68-4.9000112.9I2226 S2227 P2228 V2235 K2272 L2273 L2276I2226-Y2231 HydrophobicContact CD1-CD1 3.86Å; I2226-Y2231 HydrophobicContact CD1-CE1 4.35Å; I2226-Y2231 HydrophobicContact CG1-CD1 4.01Å; I2226-Y2231 HydrophobicContact CG1-CE1 4.18Å; I2226-Y2231 HydrophobicContact CG2-CE1 4.29Å; S2227-Y2231 VanDerWaalsContact O-CD1 3.28Å; S2227-Y2231 WeakPolarHBondContact O-CD1 3.38Å; S2227-Y2231 VanDerWaalsContact O-CE1 3.31Å; S2227-Y2231 WeakPolarHBondContact O-CE1 3.3Å; P2228-Y2231 HydrophobicContact CB-CE2 4.18Å; Y2231-V2235 WeakPolarHBondContact O-CB 3.24Å; Y2231-V2235 VanDerWaalsContact O-CG2 3.24Å; Y2231-V2235 WeakPolarHBondContact O-CG2 3.37Å; Y2231-V2235 PolarHBondContact O-N 3.42Å; Y2231-V2235 VanDerWaalsContact O-N 3.1Å; Y2231-K2272 HydrophobicContact CD2-CB 4.42Å; Y2231-K2272 HydrophobicContact CE2-CB 4Å; Y2231-L2273 HydrophobicContact CD1-CB 4.32Å; Y2231-L2273 HydrophobicContact CD1-CD1 3.97Å; Y2231-L2273 HydrophobicContact CD1-CD2 4.36Å; Y2231-L2273 HydrophobicContact CD1-CG 4.45Å; Y2231-L2273 HydrophobicContact CD2-CB 4.03Å; Y2231-L2273 HydrophobicContact CD2-CD1 4.44Å; Y2231-L2273 HydrophobicContact CE1-CB 4.13Å; Y2231-L2273 HydrophobicContact CE1-CD1 4.5Å; Y2231-L2273 HydrophobicContact CE1-CD2 4.17Å; Y2231-L2273 HydrophobicContact CE2-CB 3.81Å; Y2231-L2273 HydrophobicContact CG-CB 4.29Å; Y2231-L2273 HydrophobicContact CG-CD1 3.94Å; Y2231-L2276 HydrophobicContact CD2-CD1 4.21Å
2232A82.9Confident81.8Confident62 Ų6258 Ų5851%0.51229%0.294SS..Hα-helixtrans-67.5-55.4176.200000111.6Q2230 F2234 V2235 D2236Q2230-A2232 VanDerWaalsContact C-N 3.32Å; Q2230-A2232 PolarHBondContact O-N 3.01Å; A2232-F2234 VanDerWaalsContact C-N 3.26Å; A2232-F2234 PolarHBondContact O-N 3.01Å; A2232-V2235 CarbonylContact O-C 3.58Å; A2232-V2235 WeakPolarHBondContact O-CA 3.43Å; A2232-V2235 WeakPolarHBondContact O-CB 3.44Å; A2232-V2235 PolarHBondContact O-N 2.96Å; A2232-D2236 PolarHBondContact O-N 3.04Å
2233E82.9Confident82.1Confident107 Ų10758.9 Ų58.950%0.530%0.302SS..Hα-helixtrans-51.9-42.3176.6-175.8-169.3178.400112.5Q2230 D2236 F2237Q2230-E2233 PolarHBondContact O-N 3.33Å; E2233-D2236 PolarHBondContact O-N 2.91Å; E2233-F2237 WeakPolarHBondContact O-CB 3.43Å; E2233-F2237 PolarHBondContact O-N 3.03Å
2234F87.2Confident82.3Confident6 Ų659 Ų593%0.02630%0.303CS..Hα-helixtrans-70.1-36.2177.2-179.9-101.7000113.4T2219 R2222 L2223 I2226 Q2230 A2232 D2236 F2237 L2238 L2263 L2273T2219-F2234 HydrophobicContact CG2-CE2 4.28Å; T2219-F2234 HydrophobicContact CG2-CZ 3.96Å; R2222-F2234 HydrophobicContact CB-CD2 4.05Å; R2222-F2234 HydrophobicContact CB-CE2 4.04Å; L2223-F2234 HydrophobicContact CD1-CZ 3.89Å; L2223-F2234 HydrophobicContact CD2-CE1 3.68Å; L2223-F2234 HydrophobicContact CD2-CE2 4.31Å; L2223-F2234 HydrophobicContact CD2-CZ 3.56Å; L2223-F2234 HydrophobicContact CG-CE1 4.14Å; L2223-F2234 HydrophobicContact CG-CE2 3.96Å; L2223-F2234 HydrophobicContact CG-CZ 3.47Å; L2223-F2234 VanDerWaalsContact CG-CZ 3.47Å; I2226-F2234 HydrophobicContact CD1-CB 3.43Å; I2226-F2234 VanDerWaalsContact CD1-CB 3.43Å; I2226-F2234 HydrophobicContact CD1-CD1 3.91Å; I2226-F2234 HydrophobicContact CD1-CD2 4.14Å; I2226-F2234 HydrophobicContact CD1-CG 3.55Å; Q2230-F2234 WeakPolarHBondContact O-CB 3.47Å; Q2230-F2234 PolarHBondContact O-N 2.96Å; A2232-F2234 VanDerWaalsContact C-N 3.26Å; A2232-F2234 PolarHBondContact O-N 3.01Å; F2234-D2236 VanDerWaalsContact C-N 3.34Å; F2234-F2237 PolarHBondContact O-N 3.2Å; F2234-L2238 HydrophobicContact CD1-CD1 4.02Å; F2234-L2238 HydrophobicContact CE1-CD1 3.43Å; F2234-L2238 VanDerWaalsContact CE1-CD1 3.43Å; F2234-L2238 HydrophobicContact CE1-CG 4.16Å; F2234-L2238 HydrophobicContact CZ-CD1 3.82Å; F2234-L2238 HydrophobicContact CZ-CG 4.17Å; F2234-L2238 WeakPolarHBondContact O-CG 3.48Å; F2234-L2238 PolarHBondContact O-N 3.39Å; F2234-L2263 HydrophobicContact CE1-CD1 4.34Å; F2234-L2263 HydrophobicContact CZ-CD1 4.18Å; F2234-L2273 HydrophobicContact CD1-CD1 4.22Å
2235V86.1Confident82.8Confident8 Ų856.5 Ų56.55%0.04828%0.281CS..Hα-helixtrans-67.9-34.9173.1161.40000111.3Y2231 A2232 L2238 T2239 L2276 L2277 R2280 F2281Y2231-V2235 WeakPolarHBondContact O-CB 3.24Å; Y2231-V2235 VanDerWaalsContact O-CG2 3.24Å; Y2231-V2235 WeakPolarHBondContact O-CG2 3.37Å; Y2231-V2235 PolarHBondContact O-N 3.42Å; Y2231-V2235 VanDerWaalsContact O-N 3.1Å; A2232-V2235 CarbonylContact O-C 3.58Å; A2232-V2235 WeakPolarHBondContact O-CA 3.43Å; A2232-V2235 WeakPolarHBondContact O-CB 3.44Å; A2232-V2235 PolarHBondContact O-N 2.96Å; V2235-L2238 PolarHBondContact O-N 3.4Å; V2235-T2239 PolarHBondContact O-N 3.43Å; V2235-T2239 PolarHBondContact O-OG1 3.45Å; V2235-L2276 HydrophobicContact CG2-CB 4.46Å; V2235-L2277 HydrophobicContact CG2-CD2 4.24Å; V2235-R2280 HydrophobicContact CG1-CB 4.1Å; V2235-R2280 HydrophobicContact CG1-CG 3.63Å; V2235-F2281 HydrophobicContact CG1-CE2 4.22Å; V2235-F2281 HydrophobicContact CG1-CZ 4.44Å
2236D84.8Confident83.3Confident68 Ų6853.1 Ų53.136%0.36426%0.261SS..Hα-helixtrans-76.9-31.7176.4-64.5-26.7000112.2A2232 E2233 F2234 T2239 R2240 R2280A2232-D2236 PolarHBondContact O-N 3.04Å; E2233-D2236 PolarHBondContact O-N 2.91Å; F2234-D2236 VanDerWaalsContact C-N 3.34Å; D2236-T2239 PolarHBondContact O-N 2.92Å; D2236-R2240 PolarHBondContact O-N 3.49Å; D2236-R2280 IonicContact OD1-CZ 3.89Å; D2236-R2280 IonicContact OD1-NE 2.97Å; D2236-R2280 IonicContact OD1-NH2 3.3Å; D2236-R2280 PolarHBondContact OD1-NH2 2.91Å
2237F87.3Confident83.1Confident2 Ų254.5 Ų54.51%0.00927%0.268CS..Hα-helixtrans-60.9-45.3164.9176-98.1000112P2103 F2215 A2218 E2233 F2234 T2239 R2240 A2241P2103-F2237 HydrophobicContact CG-CE2 4.25Å; P2103-F2237 HydrophobicContact CG-CZ 4.27Å; F2215-F2237 AromaticContact CD1-CE1 3.97Å; F2215-F2237 HydrophobicContact CD1-CE1 3.97Å; F2215-F2237 AromaticContact CD1-CE2 3.83Å; F2215-F2237 HydrophobicContact CD1-CE2 3.83Å; F2215-F2237 AromaticContact CD1-CZ 3.44Å; F2215-F2237 HydrophobicContact CD1-CZ 3.44Å; F2215-F2237 VanDerWaalsContact CD1-CZ 3.44Å; F2215-F2237 HydrophobicContact CE1-CD2 4.1Å; F2215-F2237 HydrophobicContact CE1-CE1 4.35Å; F2215-F2237 AromaticContact CE1-CE2 3.58Å; F2215-F2237 HydrophobicContact CE1-CE2 3.58Å; F2215-F2237 AromaticContact CE1-CZ 3.72Å; F2215-F2237 HydrophobicContact CE1-CZ 3.72Å; A2218-F2237 HydrophobicContact CB-CE1 4.37Å; A2218-F2237 HydrophobicContact CB-CZ 3.71Å; E2233-F2237 WeakPolarHBondContact O-CB 3.43Å; E2233-F2237 PolarHBondContact O-N 3.03Å; F2234-F2237 PolarHBondContact O-N 3.2Å; F2237-T2239 VanDerWaalsContact C-N 3.29Å; F2237-T2239 PolarHBondContact O-N 3.27Å; F2237-R2240 PolarHBondContact O-N 3Å; F2237-A2241 PolarHBondContact O-N 2.73Å
2238L87.5Confident82.4Confident0 Ų054.4 Ų54.40%026%0.263CS..Hα-helixtrans-66.3-28.9173.8-77.5174.9000113.2T2219 F2234 V2235 A2241 R2242 F2256 L2259 L2263 L2277 F2281T2219-L2238 HydrophobicContact CG2-CD2 3.92Å; F2234-L2238 HydrophobicContact CD1-CD1 4.02Å; F2234-L2238 HydrophobicContact CE1-CD1 3.43Å; F2234-L2238 VanDerWaalsContact CE1-CD1 3.43Å; F2234-L2238 HydrophobicContact CE1-CG 4.16Å; F2234-L2238 HydrophobicContact CZ-CD1 3.82Å; F2234-L2238 HydrophobicContact CZ-CG 4.17Å; F2234-L2238 WeakPolarHBondContact O-CG 3.48Å; F2234-L2238 PolarHBondContact O-N 3.39Å; V2235-L2238 PolarHBondContact O-N 3.4Å; L2238-A2241 WeakPolarHBondContact O-CB 3.41Å; L2238-A2241 PolarHBondContact O-N 3.05Å; L2238-R2242 PolarHBondContact O-N 3.23Å; L2238-F2256 WeakPolarHBondContact O-CE2 3.34Å; L2238-L2259 HydrophobicContact CD2-CD2 4.48Å; L2238-L2263 HydrophobicContact CD1-CD1 3.85Å; L2238-L2263 HydrophobicContact CD2-CD1 4.3Å; L2238-L2277 HydrophobicContact CD1-CD2 3.49Å; L2238-L2277 VanDerWaalsContact CD1-CD2 3.49Å; L2238-F2281 HydrophobicContact CB-CE2 3.88Å; L2238-F2281 HydrophobicContact CB-CZ 3.84Å; L2238-F2281 HydrophobicContact CD1-CE2 4.4Å
2239T85.1Confident81.4Confident25 Ų2560 Ų6015%0.15327%0.272CS..Hα-helixtrans-66.5-45.5173.8-53.80000110.1V2235 D2236 F2237 A2241 R2242 D2243 F2281V2235-T2239 PolarHBondContact O-N 3.43Å; V2235-T2239 PolarHBondContact O-OG1 3.45Å; D2236-T2239 PolarHBondContact O-N 2.92Å; F2237-T2239 VanDerWaalsContact C-N 3.29Å; F2237-T2239 PolarHBondContact O-N 3.27Å; T2239-A2241 VanDerWaalsContact C-N 3.32Å; T2239-A2241 PolarHBondContact O-N 2.87Å; T2239-R2242 WeakPolarHBondContact O-CB 3.45Å; T2239-R2242 PolarHBondContact O-N 3.2Å; T2239-D2243 VanDerWaalsContact O-CG 3.29Å; T2239-D2243 PolarHBondContact O-N 3.07Å; T2239-D2243 VanDerWaalsContact O-N 3.16Å; T2239-F2281 WeakPolarHBondContact OG1-CZ 3.31Å
2240R83.5Confident80.5Confident105 Ų10553.6 Ų53.640%0.39626%0.261SS..Hα-helixtrans-62.5-36.9172.4-69-178.8-75.2161.75112.4E2066 F2215 D2236 F2237 D2243 T2244E2066-R2240 IonicContact OE1-NH2 2.74Å; E2066-R2240 IonicContact OE2-CZ 2.79Å; E2066-R2240 VanDerWaalsContact OE2-CZ 3.28Å; E2066-R2240 IonicContact OE2-NH1 3.34Å; E2066-R2240 PolarHBondContact OE2-NH1 3.44Å; E2066-R2240 IonicContact OE2-NH2 3.38Å; E2066-R2240 PolarHBondContact OE2-NH2 3.3Å; F2215-R2240 HydrophobicContact CZ-CB 4.33Å; D2236-R2240 PolarHBondContact O-N 3.49Å; F2237-R2240 PolarHBondContact O-N 3Å; R2240-D2243 PolarHBondContact O-N 2.76Å; R2240-T2244 PolarHBondContact O-N 3.4Å; R2240-T2244 VanDerWaalsContact O-N 3.12Å; R2240-T2244 PolarHBondContact O-OG1 3.22Å
2241A84.6Confident80.1Confident0 Ų053.9 Ų53.90%027%0.265CS..Hα-helixtrans-61.9-48.1173.500000112F2215 F2237 L2238 T2239 D2243 T2244 F2245 F2256F2215-A2241 HydrophobicContact CB-CB 4.33Å; F2215-A2241 HydrophobicContact CD1-CB 3.41Å; F2215-A2241 VanDerWaalsContact CD1-CB 3.41Å; F2215-A2241 HydrophobicContact CE1-CB 3.72Å; F2215-A2241 HydrophobicContact CG-CB 3.86Å; F2215-A2241 HydrophobicContact CZ-CB 4.4Å; F2237-A2241 PolarHBondContact O-N 2.73Å; L2238-A2241 WeakPolarHBondContact O-CB 3.41Å; L2238-A2241 PolarHBondContact O-N 3.05Å; T2239-A2241 VanDerWaalsContact C-N 3.32Å; T2239-A2241 PolarHBondContact O-N 2.87Å; A2241-D2243 VanDerWaalsContact C-N 3.29Å; A2241-D2243 PolarHBondContact O-N 2.73Å; A2241-T2244 WeakPolarHBondContact O-CB 3.4Å; A2241-T2244 PolarHBondContact O-N 3.23Å; A2241-F2245 WeakPolarHBondContact O-CD2 3.48Å; A2241-F2245 PolarHBondContact O-N 3.12Å; A2241-F2256 HydrophobicContact CB-CE2 4.25Å
2242R86.3Confident79.6Confident75 Ų7552.9 Ų52.928%0.28326%0.262SS..Hα-helixtrans-53.2-47.2176.2-174.1-16364.1-165.3-5.8111.8L2238 T2239 T2244 F2245 H2246 F2256L2238-R2242 PolarHBondContact O-N 3.23Å; T2239-R2242 WeakPolarHBondContact O-CB 3.45Å; T2239-R2242 PolarHBondContact O-N 3.2Å; R2242-T2244 VanDerWaalsContact C-N 3.3Å; R2242-T2244 PolarHBondContact O-N 2.95Å; R2242-F2245 PolarHBondContact O-N 3.15Å; R2242-H2246 PolarHBondContact O-CD2 2.97Å; R2242-H2246 VanDerWaalsContact O-CD2 3.32Å; R2242-H2246 PolarHBondContact O-N 3.35Å; R2242-F2256 HydrophobicContact CB-CD1 4.05Å; R2242-F2256 HydrophobicContact CB-CD2 4.01Å; R2242-F2256 HydrophobicContact CB-CE1 3.73Å; R2242-F2256 HydrophobicContact CB-CE2 3.7Å; R2242-F2256 HydrophobicContact CB-CG 4.18Å; R2242-F2256 HydrophobicContact CB-CZ 3.56Å; R2242-F2256 HydrophobicContact CG-CD1 3.73Å; R2242-F2256 HydrophobicContact CG-CD2 4.48Å; R2242-F2256 HydrophobicContact CG-CE1 3.69Å; R2242-F2256 HydrophobicContact CG-CE2 4.45Å; R2242-F2256 HydrophobicContact CG-CG 4.14Å; R2242-F2256 HydrophobicContact CG-CZ 4.08Å
2243D83.7Confident79.4Confident74 Ų7452.1 Ų52.140%0.39625%0.251SS..Hα-helixtrans-71.1-30.4-174.8-61.2-15.4000111.5T2239 R2240 A2241T2239-D2243 VanDerWaalsContact O-CG 3.29Å; T2239-D2243 PolarHBondContact O-N 3.07Å; T2239-D2243 VanDerWaalsContact O-N 3.16Å; R2240-D2243 PolarHBondContact O-N 2.76Å; A2241-D2243 VanDerWaalsContact C-N 3.29Å; A2241-D2243 PolarHBondContact O-N 2.73Å
2244T79.5Confident79.4Confident4 Ų452.6 Ų52.63%0.02526%0.257CS..Hα-helixtrans-69.5-44.3170-49.80000111.6T2107 F2215 R2240 A2241 R2242 H2246 L2247T2107-T2244 HydrophobicContact CG2-CG2 4.01Å; T2107-T2244 WeakPolarHBondContact CG2-OG1 3.47Å; F2215-T2244 HydrophobicContact CD2-CG2 4.17Å; F2215-T2244 HydrophobicContact CE2-CG2 3.98Å; F2215-T2244 VanDerWaalsContact CE2-OG1 3.28Å; F2215-T2244 WeakPolarHBondContact CE2-OG1 3.43Å; R2240-T2244 PolarHBondContact O-N 3.4Å; R2240-T2244 VanDerWaalsContact O-N 3.12Å; R2240-T2244 PolarHBondContact O-OG1 3.22Å; A2241-T2244 WeakPolarHBondContact O-CB 3.4Å; A2241-T2244 PolarHBondContact O-N 3.23Å; R2242-T2244 VanDerWaalsContact C-N 3.3Å; R2242-T2244 PolarHBondContact O-N 2.95Å; T2244-H2246 VanDerWaalsContact C-N 3.3Å; T2244-H2246 PolarHBondContact O-N 3.25Å; T2244-L2247 WeakPolarHBondContact O-CB 3.47Å; T2244-L2247 VanDerWaalsContact O-CG 3.3Å; T2244-L2247 WeakPolarHBondContact O-CG 3.26Å; T2244-L2247 PolarHBondContact O-N 3.42Å; T2244-L2247 VanDerWaalsContact O-N 3.12Å
2245F82Confident79.2Confident5 Ų556.2 Ų56.22%0.02227%0.274CS..Hα-helixtrans-62.9-36.6176.5-86.4-125.1000111.5I2212 F2215 V2216 A2241 R2242 L2247 L2248 G2252 Q2255 F2256 L2259I2212-F2245 HydrophobicContact CB-CE2 4.39Å; I2212-F2245 HydrophobicContact CG1-CD2 4.27Å; I2212-F2245 HydrophobicContact CG1-CE2 4.3Å; I2212-F2245 HydrophobicContact CG2-CE1 4.24Å; I2212-F2245 HydrophobicContact CG2-CE2 3.93Å; I2212-F2245 HydrophobicContact CG2-CZ 3.77Å; F2215-F2245 HydrophobicContact CB-CE2 4.13Å; V2216-F2245 HydrophobicContact CG2-CZ 3.84Å; A2241-F2245 WeakPolarHBondContact O-CD2 3.48Å; A2241-F2245 PolarHBondContact O-N 3.12Å; R2242-F2245 PolarHBondContact O-N 3.15Å; F2245-L2247 PolarHBondContact O-N 3.37Å; F2245-L2248 PolarHBondContact O-N 3.32Å; F2245-G2252 VanDerWaalsContact O-CA 3.3Å; F2245-G2252 WeakPolarHBondContact O-CA 3.14Å; F2245-Q2255 HydrophobicContact CD1-CB 3.9Å; F2245-Q2255 HydrophobicContact CE1-CB 3.93Å; F2245-F2256 HydrophobicContact CB-CB 4.09Å; F2245-F2256 HydrophobicContact CD1-CB 3.85Å; F2245-F2256 HydrophobicContact CG-CB 4.18Å; F2245-F2256 HydrophobicContact CG-CD2 4.41Å; F2245-L2259 HydrophobicContact CZ-CD2 4.41Å
2246H80Confident79.3Confident80 Ų8056.5 Ų56.537%0.3727%0.274SS..THydrogen-bonded Turntrans-60.6-11174.4-88.1-55.6000114.9R2242 T2244 L2248R2242-H2246 PolarHBondContact O-CD2 2.97Å; R2242-H2246 VanDerWaalsContact O-CD2 3.32Å; R2242-H2246 PolarHBondContact O-N 3.35Å; T2244-H2246 VanDerWaalsContact C-N 3.3Å; T2244-H2246 PolarHBondContact O-N 3.25Å; H2246-L2248 VanDerWaalsContact C-N 3.27Å
2247L74.4Confident79.3Confident39 Ų3961.4 Ų61.420%0.20429%0.288CS..THydrogen-bonded Turntrans-70.5-22170.9-57.8178.5000112.4L2110 L2199 L2208 T2244 F2245L2110-L2247 HydrophobicContact CD2-CD1 3.72Å; L2199-L2247 HydrophobicContact CD1-CB 4.07Å; L2208-L2247 HydrophobicContact CD1-CB 4.16Å; L2208-L2247 HydrophobicContact CD1-CD1 4.42Å; T2244-L2247 WeakPolarHBondContact O-CB 3.47Å; T2244-L2247 VanDerWaalsContact O-CG 3.3Å; T2244-L2247 WeakPolarHBondContact O-CG 3.26Å; T2244-L2247 PolarHBondContact O-N 3.42Å; T2244-L2247 VanDerWaalsContact O-N 3.12Å; F2245-L2247 PolarHBondContact O-N 3.37Å
2248L66Low79.2Confident42 Ų4265.3 Ų65.322%0.2232%0.315CS..SBendtrans-85.9121.5160.7-79.781.7000109.8L2208 I2212 F2245 H2246 G2252L2208-L2248 HydrophobicContact CD1-CD1 4.02Å; L2208-L2248 HydrophobicContact CD2-CD1 3.7Å; L2208-L2248 HydrophobicContact CD2-CG 4.47Å; L2208-L2248 HydrophobicContact CG-CD1 3.94Å; I2212-L2248 HydrophobicContact CD1-CD1 3.25Å; F2245-L2248 PolarHBondContact O-N 3.32Å; H2246-L2248 VanDerWaalsContact C-N 3.27Å; L2248-G2252 WeakPolarHBondContact O-CA 3.39Å; L2248-G2252 PolarHBondContact O-N 3.35Å
2249R57.5Low79Confident218 Ų21866 Ų6682%0.82332%0.319SS*.THydrogen-bonded Turntrans-118.7138.5157-69.1-174.9178.2-171.2-1.7108.2
2250P58Low79Confident105 Ų10565 Ų6568%0.68231%0.313SS*.THydrogen-bonded Turncis-84.6-19.56.8-11.730.1000115.4P2253P2250-P2253 WeakPolarHBondContact O-CD 3.49Å
2251D75.8Confident79Confident86 Ų8663.5 Ų63.546%0.4631%0.31SS..THydrogen-bonded Turntrans-86-22.2-156.5-57.3-25.7000115.8L2254 Q2255D2251-L2254 WeakPolarHBondContact O-CA 3.35Å; D2251-L2254 WeakPolarHBondContact O-CB 3.22Å; D2251-L2254 PolarHBondContact O-N 3.41Å; D2251-Q2255 PolarHBondContact O-N 2.92Å
2252G76.4Confident78.9Confident0 Ų065.9 Ų65.90%033%0.327CS..Hα-helixtrans-51.6-46.4-177.400000115.6F2245 L2248 L2254 Q2255 F2256F2245-G2252 VanDerWaalsContact O-CA 3.3Å; F2245-G2252 WeakPolarHBondContact O-CA 3.14Å; L2248-G2252 WeakPolarHBondContact O-CA 3.39Å; L2248-G2252 PolarHBondContact O-N 3.35Å; G2252-L2254 VanDerWaalsContact C-N 3.29Å; G2252-L2254 PolarHBondContact O-N 2.95Å; G2252-Q2255 PolarHBondContact O-N 3.06Å; G2252-F2256 PolarHBondContact O-N 3.03Å
2253P79.4Confident78.6Confident46 Ų4662.6 Ų62.630%0.29931%0.314SS..Hα-helixtrans-58.9-35.1173.3-20.328.7000114P2250 R2257P2250-P2253 WeakPolarHBondContact O-CD 3.49Å; P2253-R2257 WeakPolarHBondContact O-CB 3.45Å; P2253-R2257 PolarHBondContact O-N 3.07Å
2254L82.9Confident78.2Confident116 Ų11661.5 Ų61.561%0.60731%0.305SS*.Hα-helixtrans-73.1-43.8178.6-61.3174.7000110.4D2251 G2252 F2256 R2257 S2258D2251-L2254 WeakPolarHBondContact O-CA 3.35Å; D2251-L2254 WeakPolarHBondContact O-CB 3.22Å; D2251-L2254 PolarHBondContact O-N 3.41Å; G2252-L2254 VanDerWaalsContact C-N 3.29Å; G2252-L2254 PolarHBondContact O-N 2.95Å; L2254-F2256 PolarHBondContact O-N 3.38Å; L2254-R2257 PolarHBondContact O-N 3.23Å; L2254-S2258 WeakPolarHBondContact O-CB 3.48Å; L2254-S2258 PolarHBondContact O-N 2.89Å
2255Q83.2Confident78Confident82 Ų8267 Ų6738%0.38333%0.33SS..Hα-helixtrans-61.3-42.1174.9-64.8-179.821.600111.6F2245 D2251 G2252 S2258 L2259F2245-Q2255 HydrophobicContact CD1-CB 3.9Å; F2245-Q2255 HydrophobicContact CE1-CB 3.93Å; D2251-Q2255 PolarHBondContact O-N 2.92Å; G2252-Q2255 PolarHBondContact O-N 3.06Å; Q2255-S2258 PolarHBondContact O-N 3.4Å; Q2255-L2259 PolarHBondContact O-N 3.21Å
2256F87.6Confident77.4Confident14 Ų1471 Ų716%0.06136%0.355CS..Hα-helixtrans-67.6-40.4176.3-175-97.2000112.6L2238 A2241 R2242 F2245 G2252 L2254 S2258 L2259 V2260 F2281L2238-F2256 WeakPolarHBondContact O-CE2 3.34Å; A2241-F2256 HydrophobicContact CB-CE2 4.25Å; R2242-F2256 HydrophobicContact CB-CD1 4.05Å; R2242-F2256 HydrophobicContact CB-CD2 4.01Å; R2242-F2256 HydrophobicContact CB-CE1 3.73Å; R2242-F2256 HydrophobicContact CB-CE2 3.7Å; R2242-F2256 HydrophobicContact CB-CG 4.18Å; R2242-F2256 HydrophobicContact CB-CZ 3.56Å; R2242-F2256 HydrophobicContact CG-CD1 3.73Å; R2242-F2256 HydrophobicContact CG-CD2 4.48Å; R2242-F2256 HydrophobicContact CG-CE1 3.69Å; R2242-F2256 HydrophobicContact CG-CE2 4.45Å; R2242-F2256 HydrophobicContact CG-CG 4.14Å; R2242-F2256 HydrophobicContact CG-CZ 4.08Å; F2245-F2256 HydrophobicContact CB-CB 4.09Å; F2245-F2256 HydrophobicContact CD1-CB 3.85Å; F2245-F2256 HydrophobicContact CG-CB 4.18Å; F2245-F2256 HydrophobicContact CG-CD2 4.41Å; G2252-F2256 PolarHBondContact O-N 3.03Å; L2254-F2256 PolarHBondContact O-N 3.38Å; F2256-S2258 VanDerWaalsContact C-N 3.34Å; F2256-S2258 PolarHBondContact O-N 2.96Å; F2256-L2259 HydrophobicContact CD2-CD2 4.44Å; F2256-L2259 WeakPolarHBondContact O-CB 3.41Å; F2256-L2259 PolarHBondContact O-N 3.29Å; F2256-V2260 HydrophobicContact CD1-CG2 4.02Å; F2256-V2260 HydrophobicContact CE1-CG2 3.42Å; F2256-V2260 VanDerWaalsContact CE1-CG2 3.42Å; F2256-V2260 HydrophobicContact CE2-CG2 4.22Å; F2256-V2260 HydrophobicContact CZ-CG2 3.53Å; F2256-V2260 PolarHBondContact O-N 2.85Å; F2256-F2281 AromaticContact CE1-CD1 3.95Å; F2256-F2281 HydrophobicContact CE1-CD1 3.95Å; F2256-F2281 HydrophobicContact CE1-CE1 4.37Å; F2256-F2281 HydrophobicContact CE1-CG 4.32Å; F2256-F2281 HydrophobicContact CZ-CD1 4.15Å; F2256-F2281 HydrophobicContact CZ-CE1 4.17Å
2257R84.3Confident76.9Confident171 Ų17171 Ų7165%0.64535%0.352SS*.Hα-helixtrans-60.4-43.3172-90.2-176.5162.3157.2-3.8112P2253 L2254 L2259 V2260 E2261P2253-R2257 WeakPolarHBondContact O-CB 3.45Å; P2253-R2257 PolarHBondContact O-N 3.07Å; L2254-R2257 PolarHBondContact O-N 3.23Å; R2257-L2259 VanDerWaalsContact C-N 3.29Å; R2257-L2259 PolarHBondContact O-N 2.82Å; R2257-V2260 PolarHBondContact O-N 3.3Å; R2257-E2261 WeakPolarHBondContact O-CB 3.48Å; R2257-E2261 PolarHBondContact O-N 2.9Å
2258S84.6Confident76.3Confident84 Ų8478.6 Ų78.659%0.58738%0.379SS*.Hα-helixtrans-60.4-38.7175.3-168.50000112.1L2254 Q2255 F2256 C2262L2254-S2258 WeakPolarHBondContact O-CB 3.48Å; L2254-S2258 PolarHBondContact O-N 2.89Å; Q2255-S2258 PolarHBondContact O-N 3.4Å; F2256-S2258 VanDerWaalsContact C-N 3.34Å; F2256-S2258 PolarHBondContact O-N 2.96Å; S2258-C2262 VanDerWaalsContact O-CB 3.25Å; S2258-C2262 WeakPolarHBondContact O-CB 3.46Å; S2258-C2262 PolarHBondContact O-N 3.44Å
2259L83.9Confident76.3Confident14 Ų1480.3 Ų80.37%0.07341%0.406CS..Hα-helixtrans-62.3-55.7173.8-176.668.2000111V2216 L2238 F2245 Q2255 F2256 R2257 E2261 C2262 L2263V2216-L2259 HydrophobicContact CG1-CD1 4.35Å; L2238-L2259 HydrophobicContact CD2-CD2 4.48Å; F2245-L2259 HydrophobicContact CZ-CD2 4.41Å; Q2255-L2259 PolarHBondContact O-N 3.21Å; F2256-L2259 HydrophobicContact CD2-CD2 4.44Å; F2256-L2259 WeakPolarHBondContact O-CB 3.41Å; F2256-L2259 PolarHBondContact O-N 3.29Å; R2257-L2259 VanDerWaalsContact C-N 3.29Å; R2257-L2259 PolarHBondContact O-N 2.82Å; L2259-E2261 VanDerWaalsContact C-N 3.32Å; L2259-E2261 PolarHBondContact O-N 2.91Å; L2259-C2262 WeakPolarHBondContact O-CB 3.39Å; L2259-C2262 PolarHBondContact O-N 2.97Å; L2259-L2263 VanDerWaalsContact O-CG 3.3Å; L2259-L2263 WeakPolarHBondContact O-CG 3.37Å; L2259-L2263 PolarHBondContact O-N 3.05Å
2260V85.4Confident76.9Confident5 Ų573 Ų733%0.0338%0.38CS..Hα-helixtrans-59.4-40.6-178.1172.50000112.2F2256 R2257 L2263 R2264 F2281F2256-V2260 HydrophobicContact CD1-CG2 4.02Å; F2256-V2260 HydrophobicContact CE1-CG2 3.42Å; F2256-V2260 VanDerWaalsContact CE1-CG2 3.42Å; F2256-V2260 HydrophobicContact CE2-CG2 4.22Å; F2256-V2260 HydrophobicContact CZ-CG2 3.53Å; F2256-V2260 PolarHBondContact O-N 2.85Å; R2257-V2260 PolarHBondContact O-N 3.3Å; V2260-L2263 WeakPolarHBondContact O-CB 3.33Å; V2260-L2263 PolarHBondContact O-N 3.23Å; V2260-R2264 PolarHBondContact O-N 2.89Å; V2260-F2281 HydrophobicContact CG1-CB 4.17Å; V2260-F2281 HydrophobicContact CG2-CB 4.39Å
2261E82.8Confident77.8Confident73 Ų7378.3 Ų78.334%0.34139%0.387SS..Hα-helixtrans-71.5-35.6-179.9-165.150.8-134.700111.8R2257 L2259 L2263 R2264 Q2265R2257-E2261 WeakPolarHBondContact O-CB 3.48Å; R2257-E2261 PolarHBondContact O-N 2.9Å; L2259-E2261 VanDerWaalsContact C-N 3.32Å; L2259-E2261 PolarHBondContact O-N 2.91Å; E2261-L2263 VanDerWaalsContact C-N 3.31Å; E2261-L2263 PolarHBondContact O-N 2.73Å; E2261-R2264 WeakPolarHBondContact O-CB 3.48Å; E2261-R2264 PolarHBondContact O-N 3.13Å; E2261-R2264 WeakPolarHBondContact OE2-CD 3.38Å; E2261-R2264 IonicContact OE2-CZ 2.87Å; E2261-R2264 IonicContact OE2-NE 3.12Å; E2261-R2264 IonicContact OE2-NH1 2.68Å; E2261-R2264 PolarHBondContact OE2-NH1 3.36Å; E2261-Q2265 WeakPolarHBondContact O-CG 3.39Å; E2261-Q2265 PolarHBondContact O-N 3.3Å; E2261-Q2265 PolarHBondContact OE1-NE2 2.94Å
2262C82.7Confident77.9Confident51 Ų5182.2 Ų82.235%0.34540%0.399SS..Hα-helixtrans-59.3-39.8167.5178.90000112.1S2258 L2259 Q2265 T2266S2258-C2262 VanDerWaalsContact O-CB 3.25Å; S2258-C2262 WeakPolarHBondContact O-CB 3.46Å; S2258-C2262 PolarHBondContact O-N 3.44Å; L2259-C2262 WeakPolarHBondContact O-CB 3.39Å; L2259-C2262 PolarHBondContact O-N 2.97Å; C2262-Q2265 PolarHBondContact O-N 3.18Å; C2262-T2266 WeakPolarHBondContact O-CB 3.48Å; C2262-T2266 PolarHBondContact O-N 3.43Å; C2262-T2266 PolarHBondContact O-OG1 3.02Å
2263L79.5Confident78.2Confident5 Ų582.4 Ų82.43%0.02640%0.4CS..Hα-helixtrans-64.3-43.8175.8-54.1-164.6000112.3T2219 L2223 F2234 L2238 L2259 V2260 E2261 Q2265 Y2267 L2277T2219-L2263 HydrophobicContact CG2-CD1 3.83Å; T2219-L2263 HydrophobicContact CG2-CD2 4.04Å; L2223-L2263 HydrophobicContact CD1-CD1 4.02Å; L2223-L2263 HydrophobicContact CD1-CD2 3.48Å; L2223-L2263 VanDerWaalsContact CD1-CD2 3.48Å; L2223-L2263 HydrophobicContact CD1-CG 4.22Å; F2234-L2263 HydrophobicContact CE1-CD1 4.34Å; F2234-L2263 HydrophobicContact CZ-CD1 4.18Å; L2238-L2263 HydrophobicContact CD1-CD1 3.85Å; L2238-L2263 HydrophobicContact CD2-CD1 4.3Å; L2259-L2263 VanDerWaalsContact O-CG 3.3Å; L2259-L2263 WeakPolarHBondContact O-CG 3.37Å; L2259-L2263 PolarHBondContact O-N 3.05Å; V2260-L2263 WeakPolarHBondContact O-CB 3.33Å; V2260-L2263 PolarHBondContact O-N 3.23Å; E2261-L2263 VanDerWaalsContact C-N 3.31Å; E2261-L2263 PolarHBondContact O-N 2.73Å; L2263-Q2265 VanDerWaalsContact C-N 3.35Å; L2263-Q2265 PolarHBondContact O-N 2.72Å; L2263-Y2267 PolarHBondContact O-N 3.19Å; L2263-L2277 HydrophobicContact CB-CD1 4.44Å
2264R76.3Confident78.3Confident51 Ų5181.9 Ų81.919%0.19240%0.396CS..Hα-helixtrans-58.7-44.6175.9-78.8169.5153.6168.4-3.5112V2260 E2261 S2278V2260-R2264 PolarHBondContact O-N 2.89Å; E2261-R2264 WeakPolarHBondContact O-CB 3.48Å; E2261-R2264 PolarHBondContact O-N 3.13Å; E2261-R2264 WeakPolarHBondContact OE2-CD 3.38Å; E2261-R2264 IonicContact OE2-CZ 2.87Å; E2261-R2264 IonicContact OE2-NE 3.12Å; E2261-R2264 IonicContact OE2-NH1 2.68Å; E2261-R2264 PolarHBondContact OE2-NH1 3.36Å; R2264-S2278 PolarHBondContact NE-OG 3.05Å; R2264-S2278 PolarHBondContact NH2-OG 3.24Å; R2264-S2278 VanDerWaalsContact NH2-OG 3.1Å
2265Q74.4Confident78.2Confident120 Ų12079.8 Ų79.856%0.56139%0.392SS*.Hα-helixtrans-71.5-44.2-177.6-68.3177.422.900112.2E2261 C2262 L2263 Y2267E2261-Q2265 WeakPolarHBondContact O-CG 3.39Å; E2261-Q2265 PolarHBondContact O-N 3.3Å; E2261-Q2265 PolarHBondContact OE1-NE2 2.94Å; C2262-Q2265 PolarHBondContact O-N 3.18Å; L2263-Q2265 VanDerWaalsContact C-N 3.35Å; L2263-Q2265 PolarHBondContact O-N 2.72Å; Q2265-Y2267 PolarHBondContact O-N 3.49Å
2266T71.2Confident78.1Confident90 Ų9078.9 Ų78.955%0.55239%0.389SS*.Hα-helixtrans-70-30.6-174.7-51.80000113.2C2262C2262-T2266 WeakPolarHBondContact O-CB 3.48Å; C2262-T2266 PolarHBondContact O-N 3.43Å; C2262-T2266 PolarHBondContact O-OG1 3.02Å
2267Y69.5Low77.9Confident78 Ų7878.4 Ų78.431%0.30639%0.387SS..THydrogen-bonded Turntrans-121.635.9-169.9-74-76000115.9L2223 L2263 Q2265 G2269 K2270L2223-Y2267 HydrophobicContact CB-CE2 3.96Å; L2223-Y2267 HydrophobicContact CD1-CD2 4.42Å; L2223-Y2267 HydrophobicContact CD1-CE2 4.23Å; L2263-Y2267 PolarHBondContact O-N 3.19Å; Q2265-Y2267 PolarHBondContact O-N 3.49Å; Y2267-G2269 PolarHBondContact O-N 3.29Å; Y2267-K2270 PolarHBondContact O-N 3.15Å; Y2267-K2270 VanDerWaalsContact O-N 3.11Å
2268R60.7Low77.8Confident200 Ų20072.5 Ų72.576%0.75537%0.372SS*.THydrogen-bonded Turntrans-48.3-25.1179.4-71.9-171176.6-143.4-1.2116.1K2270R2268-K2270 PolarHBondContact O-N 3.3Å
2269G65.5Low77.7Confident77 Ų7775.7 Ų75.779%0.79438%0.378SS*.THydrogen-bonded Turntrans-65.7-30.3178.800000115.3Y2267 R2271Y2267-G2269 PolarHBondContact O-N 3.29Å; G2269-R2271 PolarHBondContact O-N 2.87Å; G2269-R2271 VanDerWaalsContact O-N 3.13Å
2270K71.7Confident77.6Confident65 Ų6581.3 Ų81.328%0.28340%0.398SS..  trans-90.664.9-175.7-71-178.7179.1178.10111.7I2226 Y2267 R2268 K2272 L2273 V2274I2226-K2270 HydrophobicContact CG2-CD 4.47Å; I2226-K2270 PolarHBondContact O-NZ 2.88Å; Y2267-K2270 PolarHBondContact O-N 3.15Å; Y2267-K2270 VanDerWaalsContact O-N 3.11Å; R2268-K2270 PolarHBondContact O-N 3.3Å; K2270-K2272 VanDerWaalsContact C-N 3.29Å; K2270-K2272 PolarHBondContact O-N 2.74Å; K2270-L2273 HydrophobicContact CB-CB 4.19Å; K2270-L2273 WeakPolarHBondContact O-CB 3.27Å; K2270-L2273 PolarHBondContact O-N 3.24Å; K2270-V2274 PolarHBondContact O-N 3.46Å
2271R77.1Confident77.4Confident217 Ų21782.4 Ų82.482%0.81940%0.402SS*.Hα-helixtrans-43.8-44.4-173.3-63.1-171.4-170.7-179.54114.9G2269 L2273 V2274 S2275G2269-R2271 PolarHBondContact O-N 2.87Å; G2269-R2271 VanDerWaalsContact O-N 3.13Å; R2271-L2273 PolarHBondContact O-N 3.1Å; R2271-V2274 PolarHBondContact O-N 3.11Å; R2271-S2275 WeakPolarHBondContact O-CB 3.4Å; R2271-S2275 PolarHBondContact O-N 2.79Å
2272K77.9Confident76.5Confident167 Ų16782.8 Ų82.873%0.72643%0.426SS*.Hα-helixtrans-63.3-36.9178.7-109-172.5175.4-174.60113.7Y2231 K2270 L2276Y2231-K2272 HydrophobicContact CD2-CB 4.42Å; Y2231-K2272 HydrophobicContact CE2-CB 4Å; K2270-K2272 VanDerWaalsContact C-N 3.29Å; K2270-K2272 PolarHBondContact O-N 2.74Å; K2272-L2276 WeakPolarHBondContact O-CG 3.39Å; K2272-L2276 PolarHBondContact O-N 3.18Å; K2272-L2276 VanDerWaalsContact O-N 3.14Å
2273L81.5Confident76.2Confident4 Ų484.4 Ų84.42%0.02143%0.43CS..Hα-helixtrans-71.9-42.6176.2-179.559.7000111L2223 I2226 Y2231 F2234 K2270 R2271 S2275 L2276 L2277L2223-L2273 HydrophobicContact CD2-CD2 4.04Å; I2226-L2273 HydrophobicContact CG2-CD2 4.21Å; Y2231-L2273 HydrophobicContact CD1-CB 4.32Å; Y2231-L2273 HydrophobicContact CD1-CD1 3.97Å; Y2231-L2273 HydrophobicContact CD1-CD2 4.36Å; Y2231-L2273 HydrophobicContact CD1-CG 4.45Å; Y2231-L2273 HydrophobicContact CD2-CB 4.03Å; Y2231-L2273 HydrophobicContact CD2-CD1 4.44Å; Y2231-L2273 HydrophobicContact CE1-CB 4.13Å; Y2231-L2273 HydrophobicContact CE1-CD1 4.5Å; Y2231-L2273 HydrophobicContact CE1-CD2 4.17Å; Y2231-L2273 HydrophobicContact CE2-CB 3.81Å; Y2231-L2273 HydrophobicContact CG-CB 4.29Å; Y2231-L2273 HydrophobicContact CG-CD1 3.94Å; F2234-L2273 HydrophobicContact CD1-CD1 4.22Å; K2270-L2273 HydrophobicContact CB-CB 4.19Å; K2270-L2273 WeakPolarHBondContact O-CB 3.27Å; K2270-L2273 PolarHBondContact O-N 3.24Å; R2271-L2273 PolarHBondContact O-N 3.1Å; L2273-S2275 VanDerWaalsContact C-N 3.28Å; L2273-S2275 PolarHBondContact O-N 2.92Å; L2273-L2276 PolarHBondContact O-N 3.33Å; L2273-L2277 HydrophobicContact CD1-CD1 4.42Å; L2273-L2277 HydrophobicContact CD1-CG 4.34Å; L2273-L2277 HydrophobicContact CG-CD1 4.13Å; L2273-L2277 HydrophobicContact CG-CG 4.5Å; L2273-L2277 WeakPolarHBondContact O-CB 3.11Å; L2273-L2277 VanDerWaalsContact O-CG 3.31Å; L2273-L2277 WeakPolarHBondContact O-CG 3.24Å; L2273-L2277 PolarHBondContact O-N 2.8Å
2274V81.8Confident76Confident35 Ų3588.5 Ų88.521%0.21245%0.451CS..Hα-helixtrans-63.2-35.5176.6-179.30000111.6K2270 R2271 S2278K2270-V2274 PolarHBondContact O-N 3.46Å; R2271-V2274 PolarHBondContact O-N 3.11Å; V2274-S2278 WeakPolarHBondContact O-CB 3.38Å; V2274-S2278 PolarHBondContact O-N 3.07Å; V2274-S2278 VanDerWaalsContact O-N 3.11Å; V2274-S2278 PolarHBondContact O-OG 3.16Å
2275S80.9Confident76Confident73 Ų7390.6 Ų90.651%0.5147%0.465SS..Hα-helixtrans-61.3-54.9171.5-164.40000111.4R2271 L2273 L2277 S2278 E2279R2271-S2275 WeakPolarHBondContact O-CB 3.4Å; R2271-S2275 PolarHBondContact O-N 2.79Å; L2273-S2275 VanDerWaalsContact C-N 3.28Å; L2273-S2275 PolarHBondContact O-N 2.92Å; S2275-L2277 VanDerWaalsContact C-N 3.34Å; S2275-L2277 PolarHBondContact O-N 3.34Å; S2275-S2278 CarbonylContact O-C 3.59Å; S2275-S2278 WeakPolarHBondContact O-CA 3.5Å; S2275-S2278 PolarHBondContact O-N 2.88Å; S2275-E2279 PolarHBondContact O-N 2.78Å
2276L81.8Confident76.1Confident62 Ų6288.9 Ų88.933%0.32546%0.46SS..Hα-helixtrans-61.2-39.5-179.6-71.7167000112.6Y2231 V2235 K2272 L2273 S2278 E2279 R2280Y2231-L2276 HydrophobicContact CD2-CD1 4.21Å; V2235-L2276 HydrophobicContact CG2-CB 4.46Å; K2272-L2276 WeakPolarHBondContact O-CG 3.39Å; K2272-L2276 PolarHBondContact O-N 3.18Å; K2272-L2276 VanDerWaalsContact O-N 3.14Å; L2273-L2276 PolarHBondContact O-N 3.33Å; L2276-S2278 VanDerWaalsContact C-N 3.28Å; L2276-S2278 PolarHBondContact O-N 3.36Å; L2276-E2279 PolarHBondContact O-N 3.04Å; L2276-R2280 WeakPolarHBondContact O-CB 3.47Å; L2276-R2280 PolarHBondContact O-N 2.95Å
2277L83.7Confident76.4Confident4 Ų488.8 Ų88.82%0.02145%0.454CS..Hα-helixtrans-62.4-35.8173.8-71.9171.4000112.1V2235 L2238 L2263 L2273 S2275 F2281V2235-L2277 HydrophobicContact CG2-CD2 4.24Å; L2238-L2277 HydrophobicContact CD1-CD2 3.49Å; L2238-L2277 VanDerWaalsContact CD1-CD2 3.49Å; L2263-L2277 HydrophobicContact CB-CD1 4.44Å; L2273-L2277 HydrophobicContact CD1-CD1 4.42Å; L2273-L2277 HydrophobicContact CD1-CG 4.34Å; L2273-L2277 HydrophobicContact CG-CD1 4.13Å; L2273-L2277 HydrophobicContact CG-CG 4.5Å; L2273-L2277 WeakPolarHBondContact O-CB 3.11Å; L2273-L2277 VanDerWaalsContact O-CG 3.31Å; L2273-L2277 WeakPolarHBondContact O-CG 3.24Å; L2273-L2277 PolarHBondContact O-N 2.8Å; S2275-L2277 VanDerWaalsContact C-N 3.34Å; S2275-L2277 PolarHBondContact O-N 3.34Å; L2277-F2281 HydrophobicContact CD2-CD2 4.04Å; L2277-F2281 HydrophobicContact CD2-CE2 4.13Å; L2277-F2281 WeakPolarHBondContact O-CA 3.02Å; L2277-F2281 WeakPolarHBondContact O-CB 2.95Å; L2277-F2281 PolarHBondContact O-N 3.21Å
2278S81.1Confident76.8Confident47 Ų4789.5 Ų89.533%0.32946%0.464SS..Hα-helixtrans-79.8-24.4178.5-55.20000113R2264 V2274 S2275 L2276 G2282R2264-S2278 PolarHBondContact NE-OG 3.05Å; R2264-S2278 PolarHBondContact NH2-OG 3.24Å; R2264-S2278 VanDerWaalsContact NH2-OG 3.1Å; V2274-S2278 WeakPolarHBondContact O-CB 3.38Å; V2274-S2278 PolarHBondContact O-N 3.07Å; V2274-S2278 VanDerWaalsContact O-N 3.11Å; V2274-S2278 PolarHBondContact O-OG 3.16Å; S2275-S2278 CarbonylContact O-C 3.59Å; S2275-S2278 WeakPolarHBondContact O-CA 3.5Å; S2275-S2278 PolarHBondContact O-N 2.88Å; L2276-S2278 VanDerWaalsContact C-N 3.28Å; L2276-S2278 PolarHBondContact O-N 3.36Å; S2278-G2282 VanDerWaalsContact O-CA 3.23Å; S2278-G2282 WeakPolarHBondContact O-CA 3.29Å; S2278-G2282 PolarHBondContact O-N 3.27Å
2279E82.4Confident78Confident152 Ų15281.6 Ų81.671%0.7144%0.443SS*.Hα-helixtrans-76.4-35.8173.2-170.8-178.9167.800112S2275 L2276S2275-E2279 PolarHBondContact O-N 2.78Å; L2276-E2279 PolarHBondContact O-N 3.04Å
2280R81.4Confident78.9Confident131 Ų13182 Ų8249%0.49442%0.416SS..Hα-helixtrans-91-28.7-179.4-101.6-98.1-142.8-76.8-0.7115.3V2235 D2236 L2276V2235-R2280 HydrophobicContact CG1-CB 4.1Å; V2235-R2280 HydrophobicContact CG1-CG 3.63Å; D2236-R2280 IonicContact OD1-CZ 3.89Å; D2236-R2280 IonicContact OD1-NE 2.97Å; D2236-R2280 IonicContact OD1-NH2 3.3Å; D2236-R2280 PolarHBondContact OD1-NH2 2.91Å; L2276-R2280 WeakPolarHBondContact O-CB 3.47Å; L2276-R2280 PolarHBondContact O-N 2.95Å
2281F81.1Confident79.5Confident28 Ų2883.4 Ų83.412%0.12343%0.427CS..Hα-helixtrans-138.817.2-169.8-49.1-67.8000114V2235 L2238 T2239 F2256 V2260 L2277V2235-F2281 HydrophobicContact CG1-CE2 4.22Å; V2235-F2281 HydrophobicContact CG1-CZ 4.44Å; L2238-F2281 HydrophobicContact CB-CE2 3.88Å; L2238-F2281 HydrophobicContact CB-CZ 3.84Å; L2238-F2281 HydrophobicContact CD1-CE2 4.4Å; T2239-F2281 WeakPolarHBondContact OG1-CZ 3.31Å; F2256-F2281 AromaticContact CE1-CD1 3.95Å; F2256-F2281 HydrophobicContact CE1-CD1 3.95Å; F2256-F2281 HydrophobicContact CE1-CE1 4.37Å; F2256-F2281 HydrophobicContact CE1-CG 4.32Å; F2256-F2281 HydrophobicContact CZ-CD1 4.15Å; F2256-F2281 HydrophobicContact CZ-CE1 4.17Å; V2260-F2281 HydrophobicContact CG1-CB 4.17Å; V2260-F2281 HydrophobicContact CG2-CB 4.39Å; L2277-F2281 HydrophobicContact CD2-CD2 4.04Å; L2277-F2281 HydrophobicContact CD2-CE2 4.13Å; L2277-F2281 WeakPolarHBondContact O-CA 3.02Å; L2277-F2281 WeakPolarHBondContact O-CB 2.95Å; L2277-F2281 PolarHBondContact O-N 3.21Å
2282G63.9Low79.8Confident81 Ų8171.3 Ų71.384%0.83539%0.391SS*.  trans-61.40-16900000116.6S2278S2278-G2282 VanDerWaalsContact O-CA 3.23Å; S2278-G2282 WeakPolarHBondContact O-CA 3.29Å; S2278-G2282 PolarHBondContact O-N 3.27Å

Retrieved 2,282 of 2,282 residues in 1572.6 ms (Link to these results)

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