A0A5K4F289_SCHMA Loading...

WAC domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F289, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,035 aa.

>A0A5K4F289_SCHMA|A0A5K4F289
MPYLNGEPFVKRQPPSDLSLDEELFFLPTTLEVFRDYDDYFERTILVNSLTWTCSVCNRGPSTYKEALACERGDYRQLSAFDNALASALLYIIGGARKRRLPELVELICGFASSRFFVGEEIEFQTADSNIRSLGIIDRVVVSQKKTQFEHSGLLMGPDVQKPAFPDALKLHYCVREHKKSDSINRVASSVLVPGSIINRRSRNILARDHIKFFIRHTCELRNGVFTPKVSIMQRYKLHPYGPVTWAKLFLPPEPCWSELTPAPPSSIIRTVSNLSKESSRPICQGFKVIDTYTDEWSSRGQAKPSPNVPCSIAINHNMASSGGTTRVQYFEPLSFQSQKVLYQQKHTLMGGTHTMNGPYNQSLPQPVYDVSRSLKVEKTELEKEWSMVRRREDLELSDLVPLPEFAKFPSSLSPDDIGSALQLLEFLHVFGPHIGLIPQIGKYTEVIGTNLSRSTSSLTLSTLESSLLESDPCGPLADFFISMLSTIRRLELDANSRQPTPNASAATIAAASAVAAAEAGFSVNTQVSHVSGIGVENNSFYDEDAAGPEDSAVFRVLRDAGASTRLCELIGIPTQAATIAAGKAAVAASVALNTTGGTVAKEDSSGISSSVFPNAINRSSVTRAATTAVIAGATSLPPLDRAGLSEALWLHITSAAAKGGGWRGQIWGGTRLLDDPSVMLARNNSALVEKLKKVSVYELTPHEKLILLTTLMDELLLQPQIRERMEDQYERVRLLRNQLRTVQADRTVLINSGTGIEEEQDILTHMKKINSTNDGRVHFAPVGLKGRLGRGRGRPVGSGRTLSRKNTQLDSTAAPLEKFLSDEDYKLINRKEHRPNSDTGTTASCISSSSTTNIYEKLTDSLLEEQKLLDSITQVSRGCSMIPLGQDRFYRQYWLVMSVPCILIEDCRCVDKNPYYNNATIRNHQVVYTYPELAKQMGLNSSEDAGRHLREIINSIKDNELLDREEITFRVAAYLPHQSLSSSSSSSSLLSGGLSVEQLRTLVKPERVSAHDSSLHNACPAVNQLAKLRCYPEKSSLSTTVWSILIPDKYRELYQKKMLDSNNHTIVSDSNTEVVSSSSTRDCSDIPVKLEECCNNINNNPIDDNESKTDVSNDNKISSLTNDEVDLMVEQAKWTIDCLEASLNPRGIRESRLRKTIGQLRPLLIKVLTMCPPEIICATNDNCSTVVDKTAINTRITSGSLEHVTINPEKCNHSGGNSTHAVMCSWLEIALVGIGYRLGRLDLIKRLLFNKSDSFTENPSNTETEVCKQDLKESLQNKGFSEVENDDTVSVAAEDCPDSSVKHSEALKTPLSCSSINPDVKRLSKIILSLGHDVSPKGVAGPLANDERTLRSEPINMSVNKQPTDLENIFSENTVPSEIHDSNVTANSNMIQSFRTTGWQRWCVNVEQASSTAQLHLLARALERGAHRATLGGRGVSSAIANYVSQHPLPALKCTSCRGPPNVLTLPTASGNLSAFSVCSGCACPYHLDCLLSSSTRRTSTRRSRTKQFGISSSNSPNNIDSSYTGFLSNFSSLSSVTSARFEVLGGSLILCAFCLRSAEVLLSGADNPTGLLQTNNEAFELSNTLVYTSEDYLGTNENISIQKKANRVGRKRRSFVCDESDDPMSYDGNSDEKTDNPLENIEELDPDKSSGNHHMETEGTNNVHVTRRRGRPARLHRVYSRRGRRPTKFMSEKVSHCDRTVEPSLEATYASPASVDMSSISKLCVTVDVHYDDEVEQLLSPLNHQSKKPKGDSGSVNSSLTKSKSCPTVESERNCRLKRASIILDNCVSQITTANDRGRRSNRGRPRKSDVTLPNPSPENPDSVNPLSCSREEFDQATAECFLSELCTISSARPLLRCGLGRTLALNELNQANGSSDDSFVVNALSERPRASHRTRSTTSGHSSEDRKLYALDLVGLQEILARGELPQGPGQVISQLRLLLSHWLRSNRPGSRLHQCASDLLEQMNKKLKALQQLNIPTVNDNIINSSNSNNNNTIINSLNNSNNIDSENLSPVNHQQSQPLFSTSHYGKRKR
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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
1M77.2Confident82.8Confident93 Ų9374.5 Ų74.546%0.45840%0.403SS..  0125.90173.7164.962.700104.7F9 K11 S55 E71M1-F9 WeakPolarHBondContact CE-O 3.44Å; M1-K11 HydrophobicContact SD-CD 4.29Å; M1-K11 HydrophobicContact SD-CG 4.21Å; M1-S55 PolarHBondContact N-OG 3.32Å; M1-S55 VanDerWaalsContact N-OG 3.14Å; M1-S55 VanDerWaalsContact O-CB 3.25Å; M1-S55 WeakPolarHBondContact O-CB 3.19Å; M1-S55 PolarHBondContact O-OG 3.02Å; M1-E71 WeakPolarHBondContact CA-OE1 3.3Å; M1-E71 VanDerWaalsContact CA-OE2 3.23Å; M1-E71 WeakPolarHBondContact CA-OE2 3.24Å; M1-E71 VanDerWaalsContact N-CD 3.27Å; M1-E71 PolarHBondContact N-OE1 3.34Å; M1-E71 VanDerWaalsContact N-OE1 3.13Å; M1-E71 PolarHBondContact N-OE2 2.97Å
2P86Confident82.9Confident0 Ų077.6 Ų77.60%041%0.405CS..PPolyproline II helixtrans-53141.7-167.6-33.638.5000113.2W52 T53 Y64 A67 L68 E71P2-W52 HydrophobicContact CB-CB 4.42Å; P2-W52 HydrophobicContact CB-CD2 4.43Å; P2-W52 HydrophobicContact CB-CE3 3.67Å; P2-W52 HydrophobicContact CB-CZ3 4.33Å; P2-T53 WeakPolarHBondContact CA-O 3.36Å; P2-Y64 HydrophobicContact CB-CD2 4.15Å; P2-Y64 HydrophobicContact CB-CE2 4.31Å; P2-Y64 HydrophobicContact CG-CD2 4.11Å; P2-Y64 HydrophobicContact CG-CE2 4.09Å; P2-A67 HydrophobicContact CB-CB 3.7Å; P2-A67 HydrophobicContact CG-CB 3.7Å; P2-L68 HydrophobicContact CG-CB 3.86Å; P2-L68 HydrophobicContact CG-CD1 4.43Å; P2-L68 HydrophobicContact CG-CG 4.38Å; P2-E71 VanDerWaalsContact CA-OE1 3.22Å; P2-E71 WeakPolarHBondContact CA-OE1 3.17Å; P2-E71 WeakPolarHBondContact CD-OE1 3.33Å
3Y87.8Confident82.7Confident71 Ų7185.1 Ų85.128%0.27844%0.436SS..EExtended strand (participates in β ladder)trans-83.6137.7172.2-63.6-29.2000109.9E7 P8 W52 T53Y3-E7 CarbonylContact C-O 3.58Å; Y3-E7 WeakPolarHBondContact CA-O 3.5Å; Y3-E7 WeakPolarHBondContact CB-O 3.3Å; Y3-P8 HydrophobicContact CD1-CB 4.35Å; Y3-P8 HydrophobicContact CE1-CB 4.17Å; Y3-W52 CarbonylContact O-C 3.57Å; Y3-W52 WeakPolarHBondContact O-CA 3.08Å; Y3-T53 PolarHBondContact N-O 2.88Å; Y3-T53 PolarHBondContact O-N 3.2Å
4L88.8Confident82.4Confident34 Ų3485.2 Ų85.218%0.17845%0.446CS..EExtended strand (participates in β ladder)trans-99.8121.9173.4178.463000107.7G6 E7 F9 L46 T51 W52L4-G6 PolarHBondContact O-N 3.3Å; L4-E7 PolarHBondContact N-O 3.18Å; L4-E7 PolarHBondContact O-N 3.24Å; L4-F9 HydrophobicContact CB-CB 4.14Å; L4-F9 HydrophobicContact CB-CD2 4.34Å; L4-F9 HydrophobicContact CD2-CD2 3.96Å; L4-F9 HydrophobicContact CD2-CE2 4.44Å; L4-L46 HydrophobicContact CD1-CD1 3.92Å; L4-L46 HydrophobicContact CD1-CG 4.46Å; L4-L46 HydrophobicContact CD2-CD1 4.24Å; L4-L46 HydrophobicContact CD2-CD2 3.96Å; L4-L46 HydrophobicContact CD2-CG 4.45Å; L4-T51 WeakPolarHBondContact CD1-OG1 3.43Å; L4-W52 HydrophobicContact CB-CE3 4.01Å; L4-W52 HydrophobicContact CB-CH2 4.27Å; L4-W52 HydrophobicContact CB-CZ3 3.84Å; L4-W52 HydrophobicContact CD1-CD2 4.21Å; L4-W52 HydrophobicContact CD1-CE3 4.43Å; L4-W52 HydrophobicContact CD1-CH2 4.49Å; L4-W52 HydrophobicContact CD1-CZ2 4.22Å
5N81.4Confident82.1Confident128 Ų12882.7 Ų82.768%0.68444%0.436SS*.THydrogen-bonded Turntrans52.821.2-176.2-60-19.6000115T51N5-T51 PolarHBondContact N-O 3.26Å; N5-T51 VanDerWaalsContact N-O 3.11Å
6G76.8Confident81.7Confident37 Ų3785.6 Ų85.638%0.38147%0.466SS..THydrogen-bonded Turntrans98.5-8.5-17800000115.4L4L4-G6 PolarHBondContact O-N 3.3Å
7E79.2Confident81.8Confident147 Ų14786.5 Ų86.569%0.68747%0.47SS*.EExtended strand (participates in β ladder)trans-101.7152.9-179.6-67.4-158.3155.900113.6Y3 L4 F9Y3-E7 CarbonylContact C-O 3.58Å; Y3-E7 WeakPolarHBondContact CA-O 3.5Å; Y3-E7 WeakPolarHBondContact CB-O 3.3Å; L4-E7 PolarHBondContact N-O 3.18Å; L4-E7 PolarHBondContact O-N 3.24Å; E7-F9 PolarHBondContact O-N 3.11Å
8P79.1Confident81.7Confident97 Ų9785.4 Ų85.463%0.6346%0.463SS*.EExtended strand (participates in β ladder)trans-64.1102.9173.427.5-34.8000111.6Y3 V10Y3-P8 HydrophobicContact CD1-CB 4.35Å; Y3-P8 HydrophobicContact CE1-CB 4.17Å; P8-V10 PolarHBondContact O-N 3.44Å
9F86Confident81.5Confident17 Ų1784.3 Ų84.38%0.07546%0.462CS..PPolyproline II helixtrans-61121.1176.3172.9-106000111.8M1 L4 E7 K11 W52M1-F9 WeakPolarHBondContact CE-O 3.44Å; L4-F9 HydrophobicContact CB-CB 4.14Å; L4-F9 HydrophobicContact CB-CD2 4.34Å; L4-F9 HydrophobicContact CD2-CD2 3.96Å; L4-F9 HydrophobicContact CD2-CE2 4.44Å; E7-F9 PolarHBondContact O-N 3.11Å; F9-K11 HydrophobicContact CD1-CG 4.32Å; F9-K11 HydrophobicContact CE1-CG 3.86Å; F9-W52 HydrophobicContact CB-CH2 4.16Å; F9-W52 HydrophobicContact CB-CZ3 3.64Å; F9-W52 AromaticContact CD1-CH2 3.68Å; F9-W52 HydrophobicContact CD1-CH2 3.68Å; F9-W52 AromaticContact CD1-CZ3 3.79Å; F9-W52 HydrophobicContact CD1-CZ3 3.79Å; F9-W52 AromaticContact CD2-CH2 3.57Å; F9-W52 HydrophobicContact CD2-CH2 3.57Å; F9-W52 AromaticContact CD2-CZ3 3.96Å; F9-W52 HydrophobicContact CD2-CZ3 3.96Å; F9-W52 AromaticContact CE1-CH2 3.81Å; F9-W52 HydrophobicContact CE1-CH2 3.81Å; F9-W52 HydrophobicContact CE1-CZ3 4.37Å; F9-W52 AromaticContact CE2-CH2 3.72Å; F9-W52 HydrophobicContact CE2-CH2 3.72Å; F9-W52 AromaticContact CG-CH2 3.53Å; F9-W52 HydrophobicContact CG-CH2 3.53Å; F9-W52 AromaticContact CG-CZ3 3.53Å; F9-W52 HydrophobicContact CG-CZ3 3.53Å; F9-W52 AromaticContact CZ-CH2 3.82Å; F9-W52 HydrophobicContact CZ-CH2 3.82Å
10V83.6Confident81.2Confident124 Ų12489 Ų8975%0.75249%0.486SS*.PPolyproline II helixtrans-93.8121.6175-177.70000109P8P8-V10 PolarHBondContact O-N 3.44Å
11K85.4Confident81.1Confident71 Ų7192.2 Ų92.231%0.30950%0.503SS..PPolyproline II helixtrans-68142.1173.9-67.7-177179.2-173.70110.6M1 F9 Q13 T30 E32M1-K11 HydrophobicContact SD-CD 4.29Å; M1-K11 HydrophobicContact SD-CG 4.21Å; F9-K11 HydrophobicContact CD1-CG 4.32Å; F9-K11 HydrophobicContact CE1-CG 3.86Å; K11-Q13 PolarHBondContact O-N 3.48Å; K11-T30 WeakPolarHBondContact CD-O 3.29Å; K11-T30 WeakPolarHBondContact CE-O 3.41Å; K11-T30 PolarHBondContact NZ-O 3.31Å; K11-E32 WeakPolarHBondContact CA-OE1 3.48Å; K11-E32 HydrophobicContact CB-CG 4.22Å; K11-E32 WeakPolarHBondContact CB-OE1 3.35Å; K11-E32 HydrophobicContact CG-CG 4.43Å
12R84Confident81.6Confident112 Ų11290.6 Ų90.642%0.42349%0.494SS..PPolyproline II helixtrans-64.2130.1166.8-72.9-166.7-175.4172.15.5108.1E32 D39R12-E32 PolarHBondContact N-OE1 3.11Å; R12-D39 IonicContact CZ-OD1 3.84Å; R12-D39 VanDerWaalsContact CZ-OD1 3.29Å; R12-D39 IonicContact CZ-OD2 3.79Å; R12-D39 IonicContact NH1-OD1 2.88Å; R12-D39 PolarHBondContact NH1-OD1 3.48Å; R12-D39 IonicContact NH1-OD2 2.69Å; R12-D39 PolarHBondContact NH1-OD2 3.34Å; R12-D39 IonicContact NH2-OD1 3.3Å; R12-D39 PolarHBondContact NH2-OD1 2.88Å; R12-D39 IonicContact NH2-OD2 3.86Å
13Q79.8Confident81.5Confident175 Ų17599.7 Ų99.782%0.81854%0.536SS*.PPolyproline II helixtrans-75.7149.9169.5-65-175.86.200108.9K11K11-Q13 PolarHBondContact O-N 3.48Å
14P79.2Confident81.5Confident87 Ų8798.6 Ų98.657%0.56554%0.535SS*.PPolyproline II helixtrans-59.4141.3172.626.2-34.2000110
15P77.4Confident81.6Confident47 Ų47100.8 Ų100.831%0.30554%0.544SS..PPolyproline II helixtrans-52141.4172.6-25.632.8000111.9D17 L18P15-D17 VanDerWaalsContact C-N 3.25Å; P15-D17 WeakPolarHBondContact CB-OD1 3.37Å; P15-D17 PolarHBondContact O-N 3.42Å; P15-L18 HydrophobicContact CB-CD1 4.06Å; P15-L18 HydrophobicContact CG-CD1 4.03Å
16S76Confident82Confident130 Ų13099.6 Ų99.691%0.90953%0.532SS*.THydrogen-bonded Turntrans-75.4-15-179500000113.9
17D82.4Confident82.7Confident101 Ų10198.2 Ų98.254%0.5452%0.516SS..THydrogen-bonded Turntrans-104.628.4-177.564.3-50.9000112.1P15 R35P15-D17 VanDerWaalsContact C-N 3.25Å; P15-D17 WeakPolarHBondContact CB-OD1 3.37Å; P15-D17 PolarHBondContact O-N 3.42Å; D17-R35 PolarHBondContact O-NH2 2.92Å; D17-R35 IonicContact OD1-NH1 3.65Å; D17-R35 PolarHBondContact OD1-NH1 2.98Å; D17-R35 IonicContact OD2-CZ 3.91Å; D17-R35 IonicContact OD2-NH1 3.64Å; D17-R35 PolarHBondContact OD2-NH1 3.27Å; D17-R35 IonicContact OD2-NH2 2.71Å; D17-R35 PolarHBondContact OD2-NH2 2.82Å
18L79.9Confident83Confident66 Ų6695.2 Ų95.235%0.34651%0.509SS..  trans-72.8130179.7-140.773.9000111.3P15 L24P15-L18 HydrophobicContact CB-CD1 4.06Å; P15-L18 HydrophobicContact CG-CD1 4.03Å; L18-L24 HydrophobicContact CD1-CD1 3.58Å; L18-L24 HydrophobicContact CD1-CD2 4.29Å; L18-L24 HydrophobicContact CD2-CD1 3.67Å; L18-L24 HydrophobicContact CG-CD1 3.65Å
19S78.4Confident83.3Confident64 Ų6492.2 Ų92.245%0.44849%0.49SS..  trans-80.5145168152.70000110.7D21 E22S19-D21 PolarHBondContact O-N 3.04Å; S19-D21 PolarHBondContact OG-N 2.91Å; S19-E22 PolarHBondContact N-OE2 3.45Å; S19-E22 VanDerWaalsContact O-CB 3.28Å; S19-E22 WeakPolarHBondContact O-CB 3.47Å; S19-E22 PolarHBondContact O-N 2.99Å; S19-E22 PolarHBondContact OG-N 2.98Å
20L76.4Confident83.3Confident179 Ų17991.4 Ų91.494%0.93749%0.486SS*.THydrogen-bonded Turntrans-63.6-31.6176.8-70.2174.6000112.5
21D79.3Confident83.5Confident156 Ų15691.4 Ų91.483%0.83448%0.481SS*.THydrogen-bonded Turntrans-98.815.2179.7-56.4-43.9000112.3S19S19-D21 PolarHBondContact O-N 3.04Å; S19-D21 PolarHBondContact OG-N 2.91Å
22E85.9Confident83.8Confident59 Ų5988.1 Ų88.128%0.27647%0.467SS..  trans-78.4122.5-178.7-156.5178.9154.600111.7S19 L24 R35S19-E22 PolarHBondContact N-OE2 3.45Å; S19-E22 VanDerWaalsContact O-CB 3.28Å; S19-E22 WeakPolarHBondContact O-CB 3.47Å; S19-E22 PolarHBondContact O-N 2.99Å; S19-E22 PolarHBondContact OG-N 2.98Å; E22-L24 HydrophobicContact CB-CD1 4.09Å; E22-L24 HydrophobicContact CB-CG 4.2Å; E22-L24 HydrophobicContact CG-CD1 4.41Å; E22-L24 HydrophobicContact CG-CD2 4.16Å; E22-L24 HydrophobicContact CG-CG 4.14Å; E22-L24 WeakPolarHBondContact O-CG 3.15Å; E22-L24 PolarHBondContact O-N 2.76Å; E22-R35 IonicContact OE1-CZ 3.75Å; E22-R35 VanDerWaalsContact OE1-CZ 3.32Å; E22-R35 IonicContact OE1-NE 3.82Å; E22-R35 PolarHBondContact OE1-NE 2.94Å; E22-R35 IonicContact OE1-NH2 2.84Å; E22-R35 PolarHBondContact OE1-NH2 3.04Å; E22-R35 IonicContact OE2-CZ 3.16Å; E22-R35 IonicContact OE2-NE 2.76Å; E22-R35 IonicContact OE2-NH2 2.69Å; E22-R35 PolarHBondContact OE2-NH2 2.98Å
23E84.2Confident84.1Confident191 Ų19184.6 Ų84.689%0.89346%0.458SS*.  trans-72.7122.5173.2-68.5-165.4158.600110.8
24L89.4Confident84.6Confident48 Ų4876.5 Ų76.525%0.25142%0.42SS..  trans-141150.5-168.8-66162.8000111.8L18 E22 F26 V33 R35L18-L24 HydrophobicContact CD1-CD1 3.58Å; L18-L24 HydrophobicContact CD1-CD2 4.29Å; L18-L24 HydrophobicContact CD2-CD1 3.67Å; L18-L24 HydrophobicContact CG-CD1 3.65Å; E22-L24 HydrophobicContact CB-CD1 4.09Å; E22-L24 HydrophobicContact CB-CG 4.2Å; E22-L24 HydrophobicContact CG-CD1 4.41Å; E22-L24 HydrophobicContact CG-CD2 4.16Å; E22-L24 HydrophobicContact CG-CG 4.14Å; E22-L24 WeakPolarHBondContact O-CG 3.15Å; E22-L24 PolarHBondContact O-N 2.76Å; L24-F26 PolarHBondContact O-N 3.39Å; L24-V33 HydrophobicContact CB-CG1 3.63Å; L24-V33 HydrophobicContact CD1-CG1 3.76Å; L24-V33 HydrophobicContact CD2-CG1 4.45Å; L24-V33 HydrophobicContact CG-CG1 4.16Å; L24-R35 HydrophobicContact CD2-CB 4.28Å; L24-R35 HydrophobicContact CD2-CG 3.46Å; L24-R35 VanDerWaalsContact CD2-CG 3.46Å
25F90.5Very high85Confident81 Ų8177.4 Ų77.436%0.35541%0.412SS..EExtended strand (participates in β ladder)trans-85.3105176.4-58.5-77000110.7F34 Y37 Y40F25-F34 HydrophobicContact CB-CB 4.34Å; F25-F34 PolarHBondContact N-O 3.17Å; F25-F34 PolarHBondContact O-N 3.2Å; F25-Y37 HydrophobicContact CD1-CD2 4.06Å; F25-Y37 AromaticContact CE1-CD2 3.66Å; F25-Y37 HydrophobicContact CE1-CD2 3.66Å; F25-Y37 HydrophobicContact CE2-CD2 4.47Å; F25-Y37 AromaticContact CZ-CD2 3.89Å; F25-Y37 HydrophobicContact CZ-CD2 3.89Å; F25-Y37 HydrophobicContact CZ-CG 4.34Å; F25-Y40 HydrophobicContact CB-CD1 4.21Å; F25-Y40 HydrophobicContact CB-CD2 3.76Å; F25-Y40 HydrophobicContact CB-CG 3.59Å; F25-Y40 HydrophobicContact CD1-CD1 4.42Å; F25-Y40 HydrophobicContact CG-CD1 4.48Å; F25-Y40 HydrophobicContact CG-CG 4.26Å
26F89.9Confident85.5Confident102 Ų10279.2 Ų79.245%0.44742%0.419SS..EExtended strand (participates in β ladder)trans-92134.3176.4176.5-121.8000111.8L24 P28 L31 E32 V33 Y40L24-F26 PolarHBondContact O-N 3.39Å; F26-P28 HydrophobicContact CD1-CB 4.49Å; F26-P28 HydrophobicContact CD1-CG 3.87Å; F26-P28 HydrophobicContact CE1-CB 3.95Å; F26-P28 HydrophobicContact CE1-CG 3.81Å; F26-P28 WeakPolarHBondContact O-CD 3.17Å; F26-L31 HydrophobicContact CE2-CB 4.47Å; F26-L31 HydrophobicContact CE2-CD2 4.43Å; F26-L31 HydrophobicContact CZ-CD2 3.81Å; F26-E32 VanDerWaalsContact CD2-O 3.31Å; F26-E32 WeakPolarHBondContact CD2-O 3.3Å; F26-V33 HydrophobicContact CD2-CG2 3.94Å; F26-Y40 WeakPolarHBondContact O-CE2 3.19Å
27L90.1Very high86.1Confident8 Ų878.4 Ų78.44%0.04240%0.397CS..EExtended strand (participates in β ladder)trans-107.198.7174.1-176.454.7000110.9T29 T30 L31 E32 F34 Y40 R43 V47L27-T29 PolarHBondContact O-N 3.5Å; L27-T30 WeakPolarHBondContact CD2-OG1 3.1Å; L27-T30 PolarHBondContact O-N 2.85Å; L27-L31 WeakPolarHBondContact O-CA 3.32Å; L27-L31 PolarHBondContact O-N 3.26Å; L27-E32 PolarHBondContact N-O 3.49Å; L27-F34 HydrophobicContact CB-CE2 4.15Å; L27-Y40 HydrophobicContact CB-CD2 4.28Å; L27-Y40 HydrophobicContact CB-CE2 4.15Å; L27-Y40 HydrophobicContact CD1-CE2 4.22Å; L27-R43 HydrophobicContact CD2-CB 4.11Å; L27-R43 HydrophobicContact CD2-CG 3.48Å; L27-R43 VanDerWaalsContact CD2-CG 3.48Å; L27-V47 HydrophobicContact CD2-CG2 4.1Å
28P85.7Confident86.6Confident84 Ų8478.4 Ų78.455%0.54540%0.397SS..THydrogen-bonded Turntrans-63.1-16.6-173.7-22.632.7000114.7F26 L31F26-P28 HydrophobicContact CD1-CB 4.49Å; F26-P28 HydrophobicContact CD1-CG 3.87Å; F26-P28 HydrophobicContact CE1-CB 3.95Å; F26-P28 HydrophobicContact CE1-CG 3.81Å; F26-P28 WeakPolarHBondContact O-CD 3.17Å; P28-L31 WeakPolarHBondContact O-CD2 3.36Å
29T85.6Confident87.1Confident35 Ų3577.6 Ų77.622%0.21539%0.393CS..THydrogen-bonded Turntrans-76.6-42.1-177.9-560000111.9L27 V47 Y64 K65L27-T29 PolarHBondContact O-N 3.5Å; T29-V47 HydrophobicContact CG2-CG1 3.48Å; T29-V47 VanDerWaalsContact CG2-CG1 3.48Å; T29-Y64 HydrophobicContact CG2-CD1 3.59Å; T29-Y64 HydrophobicContact CG2-CE1 4.04Å; T29-Y64 WeakPolarHBondContact O-CE1 3.32Å; T29-K65 HydrophobicContact CG2-CD 4.17Å; T29-K65 HydrophobicContact CG2-CG 3.66Å; T29-K65 WeakPolarHBondContact OG1-CE 3.39Å; T29-K65 PolarHBondContact OG1-NZ 3.01Å
30T86.4Confident87.8Confident0 Ų077.4 Ų77.40%038%0.383CS..THydrogen-bonded Turntrans-100.4-12.6177.552.20000112.7K11 L27 E32 V47 Y64K11-T30 WeakPolarHBondContact CD-O 3.29Å; K11-T30 WeakPolarHBondContact CE-O 3.41Å; K11-T30 PolarHBondContact NZ-O 3.31Å; L27-T30 WeakPolarHBondContact CD2-OG1 3.1Å; L27-T30 PolarHBondContact O-N 2.85Å; T30-E32 VanDerWaalsContact C-N 3.34Å; T30-E32 WeakPolarHBondContact CB-OE2 3.41Å; T30-E32 WeakPolarHBondContact OG1-CG 3.18Å; T30-E32 PolarHBondContact OG1-OE2 3.21Å; T30-V47 HydrophobicContact CG2-CG2 3.56Å; T30-Y64 HydrophobicContact CG2-CD1 4.49Å; T30-Y64 HydrophobicContact CG2-CE1 4.09Å; T30-Y64 HydrophobicContact CG2-CE2 4.21Å
31L88.3Confident88.6Confident124 Ų12473.5 Ų73.565%0.64936%0.358SS*.THydrogen-bonded Turntrans61.342.1-171.5-49.9175000111.8F26 L27 P28F26-L31 HydrophobicContact CE2-CB 4.47Å; F26-L31 HydrophobicContact CE2-CD2 4.43Å; F26-L31 HydrophobicContact CZ-CD2 3.81Å; L27-L31 WeakPolarHBondContact O-CA 3.32Å; L27-L31 PolarHBondContact O-N 3.26Å; P28-L31 WeakPolarHBondContact O-CD2 3.36Å
32E91.1Very high89.2Confident2 Ų272.3 Ų72.31%0.00935%0.348CS..EExtended strand (participates in β ladder)trans-111.7152.9178.7-64.217612200110.3K11 R12 F26 L27 T30 F34 R43K11-E32 WeakPolarHBondContact CA-OE1 3.48Å; K11-E32 HydrophobicContact CB-CG 4.22Å; K11-E32 WeakPolarHBondContact CB-OE1 3.35Å; K11-E32 HydrophobicContact CG-CG 4.43Å; R12-E32 PolarHBondContact N-OE1 3.11Å; F26-E32 VanDerWaalsContact CD2-O 3.31Å; F26-E32 WeakPolarHBondContact CD2-O 3.3Å; L27-E32 PolarHBondContact N-O 3.49Å; T30-E32 VanDerWaalsContact C-N 3.34Å; T30-E32 WeakPolarHBondContact CB-OE2 3.41Å; T30-E32 WeakPolarHBondContact OG1-CG 3.18Å; T30-E32 PolarHBondContact OG1-OE2 3.21Å; E32-F34 HydrophobicContact CB-CE2 3.64Å; E32-F34 HydrophobicContact CB-CZ 3.74Å; E32-R43 IonicContact OE1-CZ 3.86Å; E32-R43 IonicContact OE1-NH1 2.86Å; E32-R43 PolarHBondContact OE1-NH1 3.36Å; E32-R43 IonicContact OE2-CZ 3.14Å; E32-R43 IonicContact OE2-NH1 2.64Å; E32-R43 PolarHBondContact OE2-NH1 3.39Å
33V89.5Confident89.6Confident38 Ų3871 Ų7123%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-124.4138.8-176.9-173.90000108.8L24 F26L24-V33 HydrophobicContact CB-CG1 3.63Å; L24-V33 HydrophobicContact CD1-CG1 3.76Å; L24-V33 HydrophobicContact CD2-CG1 4.45Å; L24-V33 HydrophobicContact CG-CG1 4.16Å; F26-V33 HydrophobicContact CD2-CG2 3.94Å
34F91.2Very high90Very high5 Ų563.2 Ų63.22%0.02231%0.306CS..EExtended strand (participates in β ladder)trans-132.4138.7-176-56.4-88.9000110.5F25 L27 E32 D39 Y40 R43F25-F34 HydrophobicContact CB-CB 4.34Å; F25-F34 PolarHBondContact N-O 3.17Å; F25-F34 PolarHBondContact O-N 3.2Å; L27-F34 HydrophobicContact CB-CE2 4.15Å; E32-F34 HydrophobicContact CB-CE2 3.64Å; E32-F34 HydrophobicContact CB-CZ 3.74Å; F34-D39 HydrophobicContact CB-CB 4.47Å; F34-D39 HydrophobicContact CD1-CB 3.82Å; F34-D39 HydrophobicContact CG-CB 4.46Å; F34-Y40 HydrophobicContact CD2-CD2 4.2Å; F34-R43 HydrophobicContact CE1-CB 4.28Å; F34-R43 HydrophobicContact CE2-CB 4.25Å; F34-R43 HydrophobicContact CE2-CG 4.21Å; F34-R43 HydrophobicContact CZ-CB 3.79Å; F34-R43 HydrophobicContact CZ-CG 3.69Å
35R88.5Confident90.1Very high105 Ų10565.4 Ų65.440%0.39632%0.317SS..SBendtrans-79.7-40.4170.7-80.5177.6165.6162-1.4111.8D17 E22 L24D17-R35 PolarHBondContact O-NH2 2.92Å; D17-R35 IonicContact OD1-NH1 3.65Å; D17-R35 PolarHBondContact OD1-NH1 2.98Å; D17-R35 IonicContact OD2-CZ 3.91Å; D17-R35 IonicContact OD2-NH1 3.64Å; D17-R35 PolarHBondContact OD2-NH1 3.27Å; D17-R35 IonicContact OD2-NH2 2.71Å; D17-R35 PolarHBondContact OD2-NH2 2.82Å; E22-R35 IonicContact OE1-CZ 3.75Å; E22-R35 VanDerWaalsContact OE1-CZ 3.32Å; E22-R35 IonicContact OE1-NE 3.82Å; E22-R35 PolarHBondContact OE1-NE 2.94Å; E22-R35 IonicContact OE1-NH2 2.84Å; E22-R35 PolarHBondContact OE1-NH2 3.04Å; E22-R35 IonicContact OE2-CZ 3.16Å; E22-R35 IonicContact OE2-NE 2.76Å; E22-R35 IonicContact OE2-NH2 2.69Å; E22-R35 PolarHBondContact OE2-NH2 2.98Å; L24-R35 HydrophobicContact CD2-CB 4.28Å; L24-R35 HydrophobicContact CD2-CG 3.46Å; L24-R35 VanDerWaalsContact CD2-CG 3.46Å
36D86.8Confident90.2Very high85 Ų8563.9 Ų63.946%0.45531%0.313SS..SBendtrans-88.8138.5179.3-163.7-25.6000110.8D38 D39 Y40D36-D38 PolarHBondContact OD1-N 3.37Å; D36-D39 HydrophobicContact CB-CB 4.15Å; D36-Y40 PolarHBondContact O-N 2.88Å
37Y89.7Confident90.2Very high114 Ų11459.1 Ų59.145%0.44729%0.292SS..Hα-helixtrans-67.2-38.5174.2177.1-99.1000111.4F25 Y40 F41F25-Y37 HydrophobicContact CD1-CD2 4.06Å; F25-Y37 AromaticContact CE1-CD2 3.66Å; F25-Y37 HydrophobicContact CE1-CD2 3.66Å; F25-Y37 HydrophobicContact CE2-CD2 4.47Å; F25-Y37 AromaticContact CZ-CD2 3.89Å; F25-Y37 HydrophobicContact CZ-CD2 3.89Å; F25-Y37 HydrophobicContact CZ-CG 4.34Å; Y37-Y40 HydrophobicContact CD2-CD1 4.27Å; Y37-Y40 HydrophobicContact CE2-CD1 4.27Å; Y37-Y40 HydrophobicContact CE2-CE1 4.47Å; Y37-Y40 WeakPolarHBondContact O-CB 3.15Å; Y37-Y40 PolarHBondContact O-N 2.92Å; Y37-F41 HydrophobicContact CE1-CB 4.17Å; Y37-F41 HydrophobicContact CE1-CG 4.38Å; Y37-F41 VanDerWaalsContact O-CB 3.29Å; Y37-F41 WeakPolarHBondContact O-CB 3.3Å; Y37-F41 PolarHBondContact O-N 2.91Å
38D91.6Very high90.3Very high101 Ų10163 Ų6354%0.5431%0.312SS..Hα-helixtrans-68.9-41.8-175.7-73.1-18.4000110.4D36 Y40 F41 E42D36-D38 PolarHBondContact OD1-N 3.37Å; D38-Y40 PolarHBondContact O-N 2.87Å; D38-F41 PolarHBondContact O-N 2.9Å; D38-E42 WeakPolarHBondContact O-CB 3.29Å; D38-E42 WeakPolarHBondContact O-CG 3.29Å; D38-E42 PolarHBondContact O-N 3.43Å
39D90.3Very high90.5Very high49 Ų4960.5 Ų60.526%0.26230%0.297SS..Hα-helixtrans-56.5-44.9170-101.1-35.7000112.7R12 F34 D36 F41 R43R12-D39 IonicContact CZ-OD1 3.84Å; R12-D39 VanDerWaalsContact CZ-OD1 3.29Å; R12-D39 IonicContact CZ-OD2 3.79Å; R12-D39 IonicContact NH1-OD1 2.88Å; R12-D39 PolarHBondContact NH1-OD1 3.48Å; R12-D39 IonicContact NH1-OD2 2.69Å; R12-D39 PolarHBondContact NH1-OD2 3.34Å; R12-D39 IonicContact NH2-OD1 3.3Å; R12-D39 PolarHBondContact NH2-OD1 2.88Å; R12-D39 IonicContact NH2-OD2 3.86Å; F34-D39 HydrophobicContact CB-CB 4.47Å; F34-D39 HydrophobicContact CD1-CB 3.82Å; F34-D39 HydrophobicContact CG-CB 4.46Å; D36-D39 HydrophobicContact CB-CB 4.15Å; D39-F41 VanDerWaalsContact C-N 3.35Å; D39-R43 VanDerWaalsContact O-CB 3.31Å; D39-R43 WeakPolarHBondContact O-CB 3.38Å; D39-R43 PolarHBondContact O-N 3.38Å
40Y92.6Very high90.9Very high59 Ų5964.4 Ų64.423%0.23132%0.316CS..Hα-helixtrans-64.5-40.7176.7161.2-95.9000111.5F25 F26 L27 F34 D36 Y37 D38 R43 T44F25-Y40 HydrophobicContact CB-CD1 4.21Å; F25-Y40 HydrophobicContact CB-CD2 3.76Å; F25-Y40 HydrophobicContact CB-CG 3.59Å; F25-Y40 HydrophobicContact CD1-CD1 4.42Å; F25-Y40 HydrophobicContact CG-CD1 4.48Å; F25-Y40 HydrophobicContact CG-CG 4.26Å; F26-Y40 WeakPolarHBondContact O-CE2 3.19Å; L27-Y40 HydrophobicContact CB-CD2 4.28Å; L27-Y40 HydrophobicContact CB-CE2 4.15Å; L27-Y40 HydrophobicContact CD1-CE2 4.22Å; F34-Y40 HydrophobicContact CD2-CD2 4.2Å; D36-Y40 PolarHBondContact O-N 2.88Å; Y37-Y40 HydrophobicContact CD2-CD1 4.27Å; Y37-Y40 HydrophobicContact CE2-CD1 4.27Å; Y37-Y40 HydrophobicContact CE2-CE1 4.47Å; Y37-Y40 WeakPolarHBondContact O-CB 3.15Å; Y37-Y40 PolarHBondContact O-N 2.92Å; D38-Y40 PolarHBondContact O-N 2.87Å; Y40-R43 PolarHBondContact O-N 2.77Å; Y40-T44 VanDerWaalsContact O-CB 3.28Å; Y40-T44 WeakPolarHBondContact O-CB 3.43Å; Y40-T44 PolarHBondContact O-N 3.39Å; Y40-T44 PolarHBondContact O-OG1 2.63Å
41F93.7Very high91Very high97 Ų9766.5 Ų66.543%0.42533%0.329SS..Hα-helixtrans-70.3-46.4-178.8-175.9-111.7000111.2Y37 D38 D39 R43 T44 I45Y37-F41 HydrophobicContact CE1-CB 4.17Å; Y37-F41 HydrophobicContact CE1-CG 4.38Å; Y37-F41 VanDerWaalsContact O-CB 3.29Å; Y37-F41 WeakPolarHBondContact O-CB 3.3Å; Y37-F41 PolarHBondContact O-N 2.91Å; D38-F41 PolarHBondContact O-N 2.9Å; D39-F41 VanDerWaalsContact C-N 3.35Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 2.86Å; F41-T44 CarbonylContact O-C 3.58Å; F41-T44 WeakPolarHBondContact O-CA 3.5Å; F41-T44 WeakPolarHBondContact O-CB 3.45Å; F41-T44 PolarHBondContact O-N 2.87Å; F41-T44 VanDerWaalsContact O-N 3.1Å; F41-I45 HydrophobicContact CD1-CD1 3.84Å; F41-I45 HydrophobicContact CE1-CD1 3.5Å; F41-I45 HydrophobicContact CE1-CG1 4.45Å; F41-I45 HydrophobicContact CZ-CD1 3.9Å; F41-I45 HydrophobicContact CZ-CG1 4.46Å; F41-I45 WeakPolarHBondContact O-CG1 3.15Å; F41-I45 PolarHBondContact O-N 2.79Å
42E93.2Very high91.2Very high132 Ų13260.6 Ų60.662%0.61730%0.298SS*.Hα-helixtrans-56.7-46170.7-76.3-167.6175.600111.5D38 T44 I45 L46D38-E42 WeakPolarHBondContact O-CB 3.29Å; D38-E42 WeakPolarHBondContact O-CG 3.29Å; D38-E42 PolarHBondContact O-N 3.43Å; E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 2.95Å; E42-I45 PolarHBondContact O-N 3.11Å; E42-L46 WeakPolarHBondContact O-CB 3.37Å; E42-L46 PolarHBondContact O-N 3.16Å
43R93.4Very high91Very high30 Ų3061.8 Ų61.811%0.11331%0.305CS..Hα-helixtrans-63.6-37175.8-170.661.654.1101.3-6.8112L27 E32 F34 D39 Y40 F41 L46 V47L27-R43 HydrophobicContact CD2-CB 4.11Å; L27-R43 HydrophobicContact CD2-CG 3.48Å; L27-R43 VanDerWaalsContact CD2-CG 3.48Å; E32-R43 IonicContact OE1-CZ 3.86Å; E32-R43 IonicContact OE1-NH1 2.86Å; E32-R43 PolarHBondContact OE1-NH1 3.36Å; E32-R43 IonicContact OE2-CZ 3.14Å; E32-R43 IonicContact OE2-NH1 2.64Å; E32-R43 PolarHBondContact OE2-NH1 3.39Å; F34-R43 HydrophobicContact CE1-CB 4.28Å; F34-R43 HydrophobicContact CE2-CB 4.25Å; F34-R43 HydrophobicContact CE2-CG 4.21Å; F34-R43 HydrophobicContact CZ-CB 3.79Å; F34-R43 HydrophobicContact CZ-CG 3.69Å; D39-R43 VanDerWaalsContact O-CB 3.31Å; D39-R43 WeakPolarHBondContact O-CB 3.38Å; D39-R43 PolarHBondContact O-N 3.38Å; Y40-R43 PolarHBondContact O-N 2.77Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 2.86Å; R43-L46 PolarHBondContact O-N 2.85Å; R43-V47 HydrophobicContact CG-CG2 4.28Å; R43-V47 WeakPolarHBondContact O-CB 3.32Å; R43-V47 VanDerWaalsContact O-CG2 3.25Å; R43-V47 WeakPolarHBondContact O-CG2 3.43Å; R43-V47 PolarHBondContact O-N 3.1Å
44T93.1Very high90.8Very high29 Ų2960 Ų6018%0.17829%0.294CS..Hα-helixtrans-67.2-39.3177-63.40000111.5Y40 F41 E42 N48Y40-T44 VanDerWaalsContact O-CB 3.28Å; Y40-T44 WeakPolarHBondContact O-CB 3.43Å; Y40-T44 PolarHBondContact O-N 3.39Å; Y40-T44 PolarHBondContact O-OG1 2.63Å; F41-T44 CarbonylContact O-C 3.58Å; F41-T44 WeakPolarHBondContact O-CA 3.5Å; F41-T44 WeakPolarHBondContact O-CB 3.45Å; F41-T44 PolarHBondContact O-N 2.87Å; F41-T44 VanDerWaalsContact O-N 3.1Å; E42-T44 VanDerWaalsContact C-N 3.29Å; E42-T44 PolarHBondContact O-N 2.95Å; T44-N48 WeakPolarHBondContact O-CB 3.38Å; T44-N48 PolarHBondContact O-N 2.82Å; T44-N48 PolarHBondContact O-ND2 3.39Å
45I90.7Very high90.2Very high93 Ų9360.8 Ų60.848%0.47730%0.301SS..Hα-helixtrans-61.3-52170.3-69166.6000109.6F41 E42 V47 N48 S49F41-I45 HydrophobicContact CD1-CD1 3.84Å; F41-I45 HydrophobicContact CE1-CD1 3.5Å; F41-I45 HydrophobicContact CE1-CG1 4.45Å; F41-I45 HydrophobicContact CZ-CD1 3.9Å; F41-I45 HydrophobicContact CZ-CG1 4.46Å; F41-I45 WeakPolarHBondContact O-CG1 3.15Å; F41-I45 PolarHBondContact O-N 2.79Å; E42-I45 PolarHBondContact O-N 3.11Å; I45-V47 PolarHBondContact O-N 2.74Å; I45-N48 CarbonylContact O-C 3.59Å; I45-N48 PolarHBondContact O-N 3.4Å; I45-S49 PolarHBondContact O-N 3.02Å
46L91.9Very high89.4Confident50 Ų5056.8 Ų56.826%0.26229%0.288SS..Hα-helixtrans-59-41.8-178-173.967000112.8L4 E42 R43 N48 S49 W52L4-L46 HydrophobicContact CD1-CD1 3.92Å; L4-L46 HydrophobicContact CD1-CG 4.46Å; L4-L46 HydrophobicContact CD2-CD1 4.24Å; L4-L46 HydrophobicContact CD2-CD2 3.96Å; L4-L46 HydrophobicContact CD2-CG 4.45Å; E42-L46 WeakPolarHBondContact O-CB 3.37Å; E42-L46 PolarHBondContact O-N 3.16Å; R43-L46 PolarHBondContact O-N 2.85Å; L46-N48 VanDerWaalsContact C-N 3.25Å; L46-N48 PolarHBondContact O-N 2.85Å; L46-S49 PolarHBondContact O-N 3.07Å; L46-S49 PolarHBondContact O-OG 2.87Å; L46-W52 HydrophobicContact CG-CZ2 4.23Å; L46-W52 PolarHBondContact O-NE1 3.21Å
47V90.9Very high88.8Confident1 Ų154.5 Ų54.51%0.00628%0.278CS..Hα-helixtrans-67.3-27.7178.4163.40000112.1L27 T29 T30 R43 I45 W52 Y64L27-V47 HydrophobicContact CD2-CG2 4.1Å; T29-V47 HydrophobicContact CG2-CG1 3.48Å; T29-V47 VanDerWaalsContact CG2-CG1 3.48Å; T30-V47 HydrophobicContact CG2-CG2 3.56Å; R43-V47 HydrophobicContact CG-CG2 4.28Å; R43-V47 WeakPolarHBondContact O-CB 3.32Å; R43-V47 VanDerWaalsContact O-CG2 3.25Å; R43-V47 WeakPolarHBondContact O-CG2 3.43Å; R43-V47 PolarHBondContact O-N 3.1Å; I45-V47 PolarHBondContact O-N 2.74Å; V47-W52 HydrophobicContact CG2-CZ2 4.34Å; V47-Y64 HydrophobicContact CG1-CD1 4.43Å; V47-Y64 HydrophobicContact CG1-CG 4.34Å; V47-Y64 VanDerWaalsContact O-CB 3.32Å; V47-Y64 WeakPolarHBondContact O-CB 3.38Å; V47-Y64 PolarHBondContact O-N 3.44Å; V47-Y64 VanDerWaalsContact O-N 3.1Å
48N91.6Very high87.8Confident89 Ų8953.9 Ų53.948%0.47628%0.282SS..Hα-helixtrans-95.7-7.6177.5-66.2-43.5000113.8T44 I45 L46 T63T44-N48 WeakPolarHBondContact O-CB 3.38Å; T44-N48 PolarHBondContact O-N 2.82Å; T44-N48 PolarHBondContact O-ND2 3.39Å; I45-N48 CarbonylContact O-C 3.59Å; I45-N48 PolarHBondContact O-N 3.4Å; L46-N48 VanDerWaalsContact C-N 3.25Å; L46-N48 PolarHBondContact O-N 2.85Å; N48-T63 VanDerWaalsContact O-CG2 3.29Å; N48-T63 WeakPolarHBondContact O-CG2 3.47Å
49S91.6Very high87.1Confident32 Ų3254.1 Ų54.122%0.22428%0.276CS..SBendtrans-78.4153.7177.662.40000112.6I45 L46 T51I45-S49 PolarHBondContact O-N 3.02Å; L46-S49 PolarHBondContact O-N 3.07Å; L46-S49 PolarHBondContact O-OG 2.87Å; S49-T51 PolarHBondContact O-N 3.07Å; S49-T51 PolarHBondContact OG-OG1 3.39Å
50L92.5Very high86.4Confident117 Ų11753.1 Ų53.161%0.61328%0.277SS*.THydrogen-bonded Turntrans-80.957.2177.8-62.6176.2000111.7P61 T63L50-P61 HydrophobicContact CB-CB 4.32Å; L50-P61 WeakPolarHBondContact O-CB 3.45Å; L50-T63 HydrophobicContact CD2-CG2 3.88Å
51T89Confident85.9Confident44 Ų4455.2 Ų55.227%0.2730%0.298SS..THydrogen-bonded Turntrans-120.4-2.4-177.449.50000113.1L4 N5 S49 S62L4-T51 WeakPolarHBondContact CD1-OG1 3.43Å; N5-T51 PolarHBondContact N-O 3.26Å; N5-T51 VanDerWaalsContact N-O 3.11Å; S49-T51 PolarHBondContact O-N 3.07Å; S49-T51 PolarHBondContact OG-OG1 3.39Å; T51-S62 PolarHBondContact N-O 3.22Å
52W91.9Very high85.7Confident0 Ų051.3 Ų51.30%028%0.283CS..EExtended strand (participates in β ladder)trans-96.2145.2-176.9-55.884.7000112.6P2 Y3 L4 F9 L46 V47 P61 S62 Y64 A67P2-W52 HydrophobicContact CB-CB 4.42Å; P2-W52 HydrophobicContact CB-CD2 4.43Å; P2-W52 HydrophobicContact CB-CE3 3.67Å; P2-W52 HydrophobicContact CB-CZ3 4.33Å; Y3-W52 CarbonylContact O-C 3.57Å; Y3-W52 WeakPolarHBondContact O-CA 3.08Å; L4-W52 HydrophobicContact CB-CE3 4.01Å; L4-W52 HydrophobicContact CB-CH2 4.27Å; L4-W52 HydrophobicContact CB-CZ3 3.84Å; L4-W52 HydrophobicContact CD1-CD2 4.21Å; L4-W52 HydrophobicContact CD1-CE3 4.43Å; L4-W52 HydrophobicContact CD1-CH2 4.49Å; L4-W52 HydrophobicContact CD1-CZ2 4.22Å; F9-W52 HydrophobicContact CB-CH2 4.16Å; F9-W52 HydrophobicContact CB-CZ3 3.64Å; F9-W52 AromaticContact CD1-CH2 3.68Å; F9-W52 HydrophobicContact CD1-CH2 3.68Å; F9-W52 AromaticContact CD1-CZ3 3.79Å; F9-W52 HydrophobicContact CD1-CZ3 3.79Å; F9-W52 AromaticContact CD2-CH2 3.57Å; F9-W52 HydrophobicContact CD2-CH2 3.57Å; F9-W52 AromaticContact CD2-CZ3 3.96Å; F9-W52 HydrophobicContact CD2-CZ3 3.96Å; F9-W52 AromaticContact CE1-CH2 3.81Å; F9-W52 HydrophobicContact CE1-CH2 3.81Å; F9-W52 HydrophobicContact CE1-CZ3 4.37Å; F9-W52 AromaticContact CE2-CH2 3.72Å; F9-W52 HydrophobicContact CE2-CH2 3.72Å; F9-W52 AromaticContact CG-CH2 3.53Å; F9-W52 HydrophobicContact CG-CH2 3.53Å; F9-W52 AromaticContact CG-CZ3 3.53Å; F9-W52 HydrophobicContact CG-CZ3 3.53Å; F9-W52 AromaticContact CZ-CH2 3.82Å; F9-W52 HydrophobicContact CZ-CH2 3.82Å; L46-W52 HydrophobicContact CG-CZ2 4.23Å; L46-W52 PolarHBondContact O-NE1 3.21Å; V47-W52 HydrophobicContact CG2-CZ2 4.34Å; W52-P61 CarbonylContact O-C 3.4Å; W52-S62 WeakPolarHBondContact CA-O 3.34Å; W52-S62 VanDerWaalsContact CB-O 3.31Å; W52-S62 WeakPolarHBondContact CB-O 3.46Å; W52-S62 PolarHBondContact N-O 3.06Å; W52-S62 PolarHBondContact O-N 2.86Å; W52-S62 PolarHBondContact O-OG 2.91Å; W52-Y64 VanDerWaalsContact CD1-N 3.28Å; W52-Y64 AromaticContact CD2-CD2 3.81Å; W52-Y64 HydrophobicContact CD2-CD2 3.81Å; W52-Y64 HydrophobicContact CD2-CG 4.45Å; W52-Y64 AromaticContact CE2-CD2 3.87Å; W52-Y64 AromaticContact CE3-CD2 3.68Å; W52-Y64 HydrophobicContact CE3-CD2 3.68Å; W52-Y64 HydrophobicContact CE3-CE2 4.35Å; W52-Y64 AromaticContact CH2-CD2 3.6Å; W52-Y64 HydrophobicContact CH2-CD2 3.6Å; W52-Y64 HydrophobicContact CH2-CE2 4.03Å; W52-Y64 AromaticContact CZ2-CD2 3.78Å; W52-Y64 HydrophobicContact CZ2-CD2 3.78Å; W52-Y64 HydrophobicContact CZ2-CG 4.49Å; W52-Y64 AromaticContact CZ3-CD2 3.55Å; W52-Y64 HydrophobicContact CZ3-CD2 3.55Å; W52-Y64 AromaticContact CZ3-CE2 3.9Å; W52-Y64 HydrophobicContact CZ3-CE2 3.9Å; W52-A67 HydrophobicContact CB-CB 4.02Å
53T87.7Confident85.7Confident27 Ų2746.4 Ų46.417%0.16626%0.262CS..EExtended strand (participates in β ladder)trans-126146.3170.862.10000110.4P2 Y3 S55 R59P2-T53 WeakPolarHBondContact CA-O 3.36Å; Y3-T53 PolarHBondContact N-O 2.88Å; Y3-T53 PolarHBondContact O-N 3.2Å; T53-S55 PolarHBondContact O-N 3.04Å; T53-R59 CarbonylContact C-O 3.35Å; T53-R59 WeakPolarHBondContact CA-O 3.4Å
54C85.2Confident85.6Confident0 Ų045.1 Ų45.10%026%0.257CS..  trans-63.7123.3176.21710000110.6V56 C57 N58 R59 C70 E71 D74C54-V56 PolarHBondContact O-N 3.18Å; C54-V56 PolarHBondContact SG-N 3.21Å; C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 PolarHBondContact SG-SG 3.15Å; C54-N58 WeakPolarHBondContact O-CA 3.42Å; C54-N58 PolarHBondContact O-N 3.5Å; C54-N58 PolarHBondContact O-OD1 2.98Å; C54-R59 PolarHBondContact N-O 2.8Å; C54-C70 HydrophobicContact CB-CB 3.97Å; C54-E71 HydrophobicContact CB-CG 4.33Å; C54-E71 WeakPolarHBondContact SG-CG 3.29Å; C54-D74 PolarHBondContact SG-OD2 3.4Å
55S79.4Confident85.4Confident23 Ų2349.3 Ų49.316%0.16127%0.273CS..THydrogen-bonded Turntrans-68.1-8.5-177.6790000114.5M1 T53 E71M1-S55 PolarHBondContact N-OG 3.32Å; M1-S55 VanDerWaalsContact N-OG 3.14Å; M1-S55 VanDerWaalsContact O-CB 3.25Å; M1-S55 WeakPolarHBondContact O-CB 3.19Å; M1-S55 PolarHBondContact O-OG 3.02Å; T53-S55 PolarHBondContact O-N 3.04Å; S55-E71 VanDerWaalsContact CB-OE1 3.3Å; S55-E71 WeakPolarHBondContact CB-OE1 3.3Å; S55-E71 PolarHBondContact N-OE1 3.09Å; S55-E71 PolarHBondContact OG-OE1 3.03Å
56V71.5Confident85.4Confident21 Ų2150 Ų5013%0.12727%0.274CS..THydrogen-bonded Turntrans-95.4-52.9-177.4177.80000110.7C54 E71 D74 Y75 L78 H217C54-V56 PolarHBondContact O-N 3.18Å; C54-V56 PolarHBondContact SG-N 3.21Å; V56-E71 HydrophobicContact CG2-CB 4.29Å; V56-E71 HydrophobicContact CG2-CG 4.07Å; V56-D74 HydrophobicContact CB-CB 4.18Å; V56-D74 HydrophobicContact CG1-CB 3.57Å; V56-Y75 HydrophobicContact CG2-CD2 4.3Å; V56-Y75 HydrophobicContact CG2-CE1 4.15Å; V56-Y75 HydrophobicContact CG2-CE2 3.68Å; V56-L78 HydrophobicContact CG1-CD1 4.45Å; V56-H217 VanDerWaalsContact CG1-CD2 3.49Å; V56-H217 WeakPolarHBondContact CG1-CD2 3.25Å; V56-H217 PolarHBondContact O-CD2 3.28Å; V56-H217 VanDerWaalsContact O-CD2 3.32Å
57C73.6Confident85.2Confident36 Ų3647.7 Ų47.724%0.24326%0.262CS..THydrogen-bonded Turntrans-105.7-2.4-17766.40000115C54 R59 D74 H217C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 PolarHBondContact SG-SG 3.15Å; C57-R59 PolarHBondContact O-N 2.88Å; C57-R59 WeakPolarHBondContact SG-CB 3.34Å; C57-D74 WeakPolarHBondContact CB-OD2 3.2Å; C57-D74 PolarHBondContact SG-OD2 3.05Å; C57-H217 WeakPolarHBondContact CB-NE2 3.04Å
58N69.2Low85Confident101 Ų10149.2 Ų49.254%0.5427%0.27SS..  trans5324.9-171-71.5-1.9000114.4C54C54-N58 WeakPolarHBondContact O-CA 3.42Å; C54-N58 PolarHBondContact O-N 3.5Å; C54-N58 PolarHBondContact O-OD1 2.98Å
59R76.1Confident84.6Confident107 Ų10747.8 Ų47.840%0.40427%0.27SS..  trans-76.1129.6174.5-173.8177.5176.4-165.60.4110.7T53 C54 C57 S322T53-R59 CarbonylContact C-O 3.35Å; T53-R59 WeakPolarHBondContact CA-O 3.4Å; C54-R59 PolarHBondContact N-O 2.8Å; C57-R59 PolarHBondContact O-N 2.88Å; C57-R59 WeakPolarHBondContact SG-CB 3.34Å; R59-S322 PolarHBondContact NE-O 2.85Å; R59-S322 PolarHBondContact NH1-O 3.22Å
60G75.7Confident84.1Confident28 Ų2847.5 Ų47.529%0.28927%0.268SS..  trans168.9-169.5172.700000108.9
61P82.3Confident83.7Confident102 Ų10242.5 Ų42.566%0.66224%0.241SC*.SBendcis-60.2151.20.723.3-33.4000113.8L50 W52L50-P61 HydrophobicContact CB-CB 4.32Å; L50-P61 WeakPolarHBondContact O-CB 3.45Å; W52-P61 CarbonylContact O-C 3.4Å
62S90.2Very high83.4Confident16 Ų1648.3 Ų48.311%0.11226%0.258CS..BIsolated β-bridgetrans-161.8169.3-179.355.80000110T51 W52T51-S62 PolarHBondContact N-O 3.22Å; W52-S62 WeakPolarHBondContact CA-O 3.34Å; W52-S62 VanDerWaalsContact CB-O 3.31Å; W52-S62 WeakPolarHBondContact CB-O 3.46Å; W52-S62 PolarHBondContact N-O 3.06Å; W52-S62 PolarHBondContact O-N 2.86Å; W52-S62 PolarHBondContact O-OG 2.91Å
63T92.2Very high82.8Confident28 Ų2849.8 Ų49.817%0.17227%0.273CS..  trans-76.3161.5170.5650000111.6N48 L50 K65 E66 A67N48-T63 VanDerWaalsContact O-CG2 3.29Å; N48-T63 WeakPolarHBondContact O-CG2 3.47Å; L50-T63 HydrophobicContact CD2-CG2 3.88Å; T63-K65 VanDerWaalsContact C-N 3.26Å; T63-K65 PolarHBondContact O-N 3.49Å; T63-E66 WeakPolarHBondContact CB-OE2 3.38Å; T63-E66 WeakPolarHBondContact CG2-OE2 3.43Å; T63-E66 PolarHBondContact N-OE2 3.38Å; T63-E66 PolarHBondContact O-N 3.32Å; T63-E66 VanDerWaalsContact O-N 3.14Å; T63-E66 VanDerWaalsContact OG1-CD 3.25Å; T63-E66 VanDerWaalsContact OG1-CG 3.29Å; T63-E66 WeakPolarHBondContact OG1-CG 3.2Å; T63-E66 PolarHBondContact OG1-N 2.95Å; T63-E66 PolarHBondContact OG1-OE2 3.44Å; T63-A67 PolarHBondContact O-N 2.88Å
64Y91.2Very high82.4Confident4 Ų449.1 Ų49.12%0.01627%0.269CS..Hα-helixtrans-54.6-42.2179.6-178.3-93.5000112.6P2 T29 T30 V47 W52 L68P2-Y64 HydrophobicContact CB-CD2 4.15Å; P2-Y64 HydrophobicContact CB-CE2 4.31Å; P2-Y64 HydrophobicContact CG-CD2 4.11Å; P2-Y64 HydrophobicContact CG-CE2 4.09Å; T29-Y64 HydrophobicContact CG2-CD1 3.59Å; T29-Y64 HydrophobicContact CG2-CE1 4.04Å; T29-Y64 WeakPolarHBondContact O-CE1 3.32Å; T30-Y64 HydrophobicContact CG2-CD1 4.49Å; T30-Y64 HydrophobicContact CG2-CE1 4.09Å; T30-Y64 HydrophobicContact CG2-CE2 4.21Å; V47-Y64 HydrophobicContact CG1-CD1 4.43Å; V47-Y64 HydrophobicContact CG1-CG 4.34Å; V47-Y64 VanDerWaalsContact O-CB 3.32Å; V47-Y64 WeakPolarHBondContact O-CB 3.38Å; V47-Y64 PolarHBondContact O-N 3.44Å; V47-Y64 VanDerWaalsContact O-N 3.1Å; W52-Y64 VanDerWaalsContact CD1-N 3.28Å; W52-Y64 AromaticContact CD2-CD2 3.81Å; W52-Y64 HydrophobicContact CD2-CD2 3.81Å; W52-Y64 HydrophobicContact CD2-CG 4.45Å; W52-Y64 AromaticContact CE2-CD2 3.87Å; W52-Y64 AromaticContact CE3-CD2 3.68Å; W52-Y64 HydrophobicContact CE3-CD2 3.68Å; W52-Y64 HydrophobicContact CE3-CE2 4.35Å; W52-Y64 AromaticContact CH2-CD2 3.6Å; W52-Y64 HydrophobicContact CH2-CD2 3.6Å; W52-Y64 HydrophobicContact CH2-CE2 4.03Å; W52-Y64 AromaticContact CZ2-CD2 3.78Å; W52-Y64 HydrophobicContact CZ2-CD2 3.78Å; W52-Y64 HydrophobicContact CZ2-CG 4.49Å; W52-Y64 AromaticContact CZ3-CD2 3.55Å; W52-Y64 HydrophobicContact CZ3-CD2 3.55Å; W52-Y64 AromaticContact CZ3-CE2 3.9Å; W52-Y64 HydrophobicContact CZ3-CE2 3.9Å; Y64-L68 HydrophobicContact CD1-CD1 4.34Å; Y64-L68 HydrophobicContact CE1-CD1 3.54Å; Y64-L68 VanDerWaalsContact O-CB 3.27Å; Y64-L68 WeakPolarHBondContact O-CB 3.36Å; Y64-L68 PolarHBondContact O-N 3.42Å
65K89.5Confident82.1Confident116 Ų11654.8 Ų54.850%0.50429%0.291SS..Hα-helixtrans-66.5-39.3-179-70.5179.2-180170.10112T29 T63 A69T29-K65 HydrophobicContact CG2-CD 4.17Å; T29-K65 HydrophobicContact CG2-CG 3.66Å; T29-K65 WeakPolarHBondContact OG1-CE 3.39Å; T29-K65 PolarHBondContact OG1-NZ 3.01Å; T63-K65 VanDerWaalsContact C-N 3.26Å; T63-K65 PolarHBondContact O-N 3.49Å; K65-A69 WeakPolarHBondContact O-CB 3.33Å; K65-A69 PolarHBondContact O-N 3.43Å
66E89.4Confident82Confident109 Ų10962.7 Ų62.751%0.50932%0.317SS..Hα-helixtrans-71.2-43.5177.7-69.5167.513800111.7T63 L68 A69 C70T63-E66 WeakPolarHBondContact CB-OE2 3.38Å; T63-E66 WeakPolarHBondContact CG2-OE2 3.43Å; T63-E66 PolarHBondContact N-OE2 3.38Å; T63-E66 PolarHBondContact O-N 3.32Å; T63-E66 VanDerWaalsContact O-N 3.14Å; T63-E66 VanDerWaalsContact OG1-CD 3.25Å; T63-E66 VanDerWaalsContact OG1-CG 3.29Å; T63-E66 WeakPolarHBondContact OG1-CG 3.2Å; T63-E66 PolarHBondContact OG1-N 2.95Å; T63-E66 PolarHBondContact OG1-OE2 3.44Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.24Å; E66-A69 PolarHBondContact O-N 2.85Å; E66-C70 WeakPolarHBondContact O-CB 3.46Å; E66-C70 PolarHBondContact O-N 2.87Å
67A89.4Confident82.3Confident0 Ų065.7 Ų65.70%033%0.33CS..Hα-helixtrans-58.3-45.4173.800000111.3P2 W52 T63 C70 E71P2-A67 HydrophobicContact CB-CB 3.7Å; P2-A67 HydrophobicContact CG-CB 3.7Å; W52-A67 HydrophobicContact CB-CB 4.02Å; T63-A67 PolarHBondContact O-N 2.88Å; A67-C70 WeakPolarHBondContact O-CB 3.36Å; A67-C70 PolarHBondContact O-N 2.89Å; A67-E71 WeakPolarHBondContact O-CG 3.09Å; A67-E71 PolarHBondContact O-N 3.42Å
68L85.3Confident82.5Confident34 Ų3465.7 Ų65.718%0.17833%0.328CS..Hα-helixtrans-70.1-31.9179.2-156.3152.7000112.2P2 Y64 E66 R72P2-L68 HydrophobicContact CG-CB 3.86Å; P2-L68 HydrophobicContact CG-CD1 4.43Å; P2-L68 HydrophobicContact CG-CG 4.38Å; Y64-L68 HydrophobicContact CD1-CD1 4.34Å; Y64-L68 HydrophobicContact CE1-CD1 3.54Å; Y64-L68 VanDerWaalsContact O-CB 3.27Å; Y64-L68 WeakPolarHBondContact O-CB 3.36Å; Y64-L68 PolarHBondContact O-N 3.42Å; E66-L68 VanDerWaalsContact C-N 3.33Å; E66-L68 PolarHBondContact O-N 3.24Å; L68-R72 HydrophobicContact CD2-CG 4.37Å; L68-R72 VanDerWaalsContact CD2-NE 3.33Å; L68-R72 WeakPolarHBondContact O-CG 2.98Å; L68-R72 PolarHBondContact O-N 3.28Å; L68-R72 VanDerWaalsContact O-N 3.11Å
69A84.7Confident82.9Confident58 Ų5865.3 Ų65.348%0.47933%0.333SS..Hα-helixtrans-67-39169.500000112.1K65 E66 R72 G73K65-A69 WeakPolarHBondContact O-CB 3.33Å; K65-A69 PolarHBondContact O-N 3.43Å; E66-A69 PolarHBondContact O-N 2.85Å; A69-R72 PolarHBondContact O-N 3.33Å; A69-G73 PolarHBondContact O-N 3.46Å
70C81.2Confident83.1Confident27 Ų2762.9 Ų62.918%0.18234%0.336CS..Hα-helixtrans-61.9-49173.7-1630000110.8C54 E66 A67 R72 G73 D74C54-C70 HydrophobicContact CB-CB 3.97Å; E66-C70 WeakPolarHBondContact O-CB 3.46Å; E66-C70 PolarHBondContact O-N 2.87Å; A67-C70 WeakPolarHBondContact O-CB 3.36Å; A67-C70 PolarHBondContact O-N 2.89Å; C70-R72 VanDerWaalsContact C-N 3.33Å; C70-R72 PolarHBondContact O-N 3.22Å; C70-G73 CarbonylContact O-C 3.53Å; C70-G73 WeakPolarHBondContact O-CA 3.32Å; C70-G73 PolarHBondContact O-N 3.32Å; C70-D74 PolarHBondContact O-N 3.06Å; C70-D74 PolarHBondContact SG-OD2 2.83Å
71E83.9Confident83.4Confident12 Ų1262 Ų626%0.05632%0.324CS..Hα-helixtrans-53.2-48.6175.2-71.8-178.8-172.700111.9M1 P2 C54 S55 V56 A67 G73 D74 Y75M1-E71 WeakPolarHBondContact CA-OE1 3.3Å; M1-E71 VanDerWaalsContact CA-OE2 3.23Å; M1-E71 WeakPolarHBondContact CA-OE2 3.24Å; M1-E71 VanDerWaalsContact N-CD 3.27Å; M1-E71 PolarHBondContact N-OE1 3.34Å; M1-E71 VanDerWaalsContact N-OE1 3.13Å; M1-E71 PolarHBondContact N-OE2 2.97Å; P2-E71 VanDerWaalsContact CA-OE1 3.22Å; P2-E71 WeakPolarHBondContact CA-OE1 3.17Å; P2-E71 WeakPolarHBondContact CD-OE1 3.33Å; C54-E71 HydrophobicContact CB-CG 4.33Å; C54-E71 WeakPolarHBondContact SG-CG 3.29Å; S55-E71 VanDerWaalsContact CB-OE1 3.3Å; S55-E71 WeakPolarHBondContact CB-OE1 3.3Å; S55-E71 PolarHBondContact N-OE1 3.09Å; S55-E71 PolarHBondContact OG-OE1 3.03Å; V56-E71 HydrophobicContact CG2-CB 4.29Å; V56-E71 HydrophobicContact CG2-CG 4.07Å; A67-E71 WeakPolarHBondContact O-CG 3.09Å; A67-E71 PolarHBondContact O-N 3.42Å; E71-G73 VanDerWaalsContact C-N 3.3Å; E71-G73 PolarHBondContact O-N 3.13Å; E71-D74 PolarHBondContact O-N 3.28Å; E71-Y75 HydrophobicContact CB-CD2 4.39Å; E71-Y75 HydrophobicContact CB-CE2 4.27Å; E71-Y75 WeakPolarHBondContact O-CB 3.39Å; E71-Y75 WeakPolarHBondContact O-CD2 3.29Å; E71-Y75 PolarHBondContact O-N 3.01Å
72R81.9Confident83.5Confident165 Ų16559.1 Ų59.162%0.62330%0.303SS*.Hα-helixtrans-60.9-37.8177.1-73.6170.9173.5168.7-0.9112.3L68 A69 C70 R76L68-R72 HydrophobicContact CD2-CG 4.37Å; L68-R72 VanDerWaalsContact CD2-NE 3.33Å; L68-R72 WeakPolarHBondContact O-CG 2.98Å; L68-R72 PolarHBondContact O-N 3.28Å; L68-R72 VanDerWaalsContact O-N 3.11Å; A69-R72 PolarHBondContact O-N 3.33Å; C70-R72 VanDerWaalsContact C-N 3.33Å; C70-R72 PolarHBondContact O-N 3.22Å; R72-R76 VanDerWaalsContact O-CG 3.3Å; R72-R76 WeakPolarHBondContact O-CG 3.37Å; R72-R76 PolarHBondContact O-N 3.37Å
73G79.6Confident83.3Confident31 Ų3163.5 Ų63.532%0.3233%0.325SS..Hα-helixtrans-66.6-42.3174.600000112.8A69 C70 E71 R76 Q77A69-G73 PolarHBondContact O-N 3.46Å; C70-G73 CarbonylContact O-C 3.53Å; C70-G73 WeakPolarHBondContact O-CA 3.32Å; C70-G73 PolarHBondContact O-N 3.32Å; E71-G73 VanDerWaalsContact C-N 3.3Å; E71-G73 PolarHBondContact O-N 3.13Å; G73-R76 PolarHBondContact O-N 3.03Å; G73-Q77 PolarHBondContact O-N 3.44Å
74D79Confident83Confident14 Ų1462.8 Ų62.88%0.07532%0.322CS..Hα-helixtrans-70.4-41.8-179.7-65.1-35.8000111.5C54 V56 C57 C70 E71 R76 Q77 L78 F213C54-D74 PolarHBondContact SG-OD2 3.4Å; V56-D74 HydrophobicContact CB-CB 4.18Å; V56-D74 HydrophobicContact CG1-CB 3.57Å; C57-D74 WeakPolarHBondContact CB-OD2 3.2Å; C57-D74 PolarHBondContact SG-OD2 3.05Å; C70-D74 PolarHBondContact O-N 3.06Å; C70-D74 PolarHBondContact SG-OD2 2.83Å; E71-D74 PolarHBondContact O-N 3.28Å; D74-R76 VanDerWaalsContact C-N 3.3Å; D74-R76 PolarHBondContact O-N 2.61Å; D74-Q77 PolarHBondContact O-N 3.31Å; D74-L78 WeakPolarHBondContact O-CG 3.29Å; D74-L78 PolarHBondContact O-N 2.86Å; D74-F213 HydrophobicContact CB-CZ 4.01Å; D74-F213 WeakPolarHBondContact OD1-CE2 3.41Å
75Y78Confident83Confident118 Ų11862.7 Ų62.746%0.46332%0.322SS..Hα-helixtrans-60.2-37173-77.8-57.4000112.8V56 E71 L78 S79V56-Y75 HydrophobicContact CG2-CD2 4.3Å; V56-Y75 HydrophobicContact CG2-CE1 4.15Å; V56-Y75 HydrophobicContact CG2-CE2 3.68Å; E71-Y75 HydrophobicContact CB-CD2 4.39Å; E71-Y75 HydrophobicContact CB-CE2 4.27Å; E71-Y75 WeakPolarHBondContact O-CB 3.39Å; E71-Y75 WeakPolarHBondContact O-CD2 3.29Å; E71-Y75 PolarHBondContact O-N 3.01Å; Y75-L78 PolarHBondContact O-N 3.46Å; Y75-S79 WeakPolarHBondContact O-CB 3.34Å; Y75-S79 PolarHBondContact O-N 2.68Å; Y75-S79 PolarHBondContact O-OG 2.99Å
76R78.6Confident83.1Confident189 Ų18957.1 Ų57.171%0.71330%0.297SS*.Hα-helixtrans-62.5-45.7174.9-76.3171.5-179-170.60.4111.6R72 G73 D74 L78 S79 A80R72-R76 VanDerWaalsContact O-CG 3.3Å; R72-R76 WeakPolarHBondContact O-CG 3.37Å; R72-R76 PolarHBondContact O-N 3.37Å; G73-R76 PolarHBondContact O-N 3.03Å; D74-R76 VanDerWaalsContact C-N 3.3Å; D74-R76 PolarHBondContact O-N 2.61Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 2.82Å; R76-S79 WeakPolarHBondContact CA-OG 3.32Å; R76-S79 PolarHBondContact O-N 2.83Å; R76-S79 PolarHBondContact O-OG 3.13Å; R76-A80 PolarHBondContact O-N 2.81Å
77Q77.4Confident83.2Confident85 Ų8552.6 Ų52.640%0.39728%0.278SS..Hα-helixtrans-63.3-37.5176.6-71.8179.678.600112.4G73 D74 A80 F213G73-Q77 PolarHBondContact O-N 3.44Å; D74-Q77 PolarHBondContact O-N 3.31Å; Q77-A80 WeakPolarHBondContact O-CB 3.25Å; Q77-A80 PolarHBondContact O-N 3.15Å; Q77-F213 HydrophobicContact CB-CD1 4.08Å; Q77-F213 HydrophobicContact CB-CE1 3.4Å; Q77-F213 HydrophobicContact CB-CE2 4.44Å; Q77-F213 HydrophobicContact CB-CZ 3.63Å; Q77-F213 HydrophobicContact CG-CE1 4.42Å; Q77-F213 HydrophobicContact CG-CZ 4.29Å
78L77.4Confident83.2Confident36 Ų3652.6 Ų52.619%0.18828%0.278CS..Hα-helixtrans-68.4-38.2174-66.7174.7000112.6V56 D74 Y75 R76 A80 F81 F213 F214 H217 T218V56-L78 HydrophobicContact CG1-CD1 4.45Å; D74-L78 WeakPolarHBondContact O-CG 3.29Å; D74-L78 PolarHBondContact O-N 2.86Å; Y75-L78 PolarHBondContact O-N 3.46Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 2.82Å; L78-A80 PolarHBondContact O-N 2.92Å; L78-F81 PolarHBondContact O-N 3.42Å; L78-F213 HydrophobicContact CD2-CD1 4.35Å; L78-F213 HydrophobicContact CD2-CE1 3.89Å; L78-F213 HydrophobicContact CG-CE1 4Å; L78-F214 HydrophobicContact CD2-CD2 4.45Å; L78-H217 HydrophobicContact CD1-CB 4.09Å; L78-H217 HydrophobicContact CD2-CB 3.95Å; L78-T218 HydrophobicContact CD2-CG2 4.38Å
79S77.3Confident83.6Confident93 Ų9351 Ų5165%0.6527%0.269SS*.Hα-helixtrans-68.6-11.8177.468.30000114.7Y75 R76 F81Y75-S79 WeakPolarHBondContact O-CB 3.34Å; Y75-S79 PolarHBondContact O-N 2.68Å; Y75-S79 PolarHBondContact O-OG 2.99Å; R76-S79 WeakPolarHBondContact CA-OG 3.32Å; R76-S79 PolarHBondContact O-N 2.83Å; R76-S79 PolarHBondContact O-OG 3.13Å; S79-F81 VanDerWaalsContact C-N 3.3Å
80A80.4Confident83.9Confident56 Ų5648.3 Ų48.346%0.46325%0.247SC..THydrogen-bonded Turntrans-77.1-14.9175.600000113.4R76 Q77 L78 I205R76-A80 PolarHBondContact O-N 2.81Å; Q77-A80 WeakPolarHBondContact O-CB 3.25Å; Q77-A80 PolarHBondContact O-N 3.15Å; L78-A80 PolarHBondContact O-N 2.92Å; A80-I205 HydrophobicContact CB-CD1 3.97Å; A80-I205 VanDerWaalsContact O-CD1 3.27Å; A80-I205 WeakPolarHBondContact O-CD1 3.48Å
81F81.8Confident84.4Confident10 Ų1048.7 Ų48.74%0.04425%0.245CC..SBendtrans-83.7128.3172.8-71.9-98.6000110L78 S79 L85 A86 L89 I205 H210 F214L78-F81 PolarHBondContact O-N 3.42Å; S79-F81 VanDerWaalsContact C-N 3.3Å; F81-L85 HydrophobicContact CD1-CD2 4.38Å; F81-A86 HydrophobicContact CB-CB 4.38Å; F81-L89 HydrophobicContact CD1-CD1 4.39Å; F81-L89 HydrophobicContact CE1-CD1 4.3Å; F81-I205 HydrophobicContact CD1-CD1 4.34Å; F81-I205 HydrophobicContact CD1-CG1 3.91Å; F81-I205 HydrophobicContact CD2-CD1 4.11Å; F81-I205 HydrophobicContact CE1-CD1 4.38Å; F81-I205 HydrophobicContact CE1-CG1 3.96Å; F81-I205 HydrophobicContact CE2-CD1 4.15Å; F81-I205 HydrophobicContact CG-CD1 4.2Å; F81-I205 HydrophobicContact CG-CG1 4.23Å; F81-I205 HydrophobicContact CZ-CD1 4.28Å; F81-I205 HydrophobicContact CZ-CG1 4.31Å; F81-H210 HydrophobicContact CZ-CB 4.15Å; F81-F214 HydrophobicContact CB-CE2 4.41Å; F81-F214 AromaticContact CD1-CD2 3.95Å; F81-F214 HydrophobicContact CD1-CD2 3.95Å; F81-F214 HydrophobicContact CD1-CE2 4.24Å; F81-F214 AromaticContact CD2-CD2 3.89Å; F81-F214 HydrophobicContact CD2-CD2 3.89Å; F81-F214 HydrophobicContact CE1-CB 4.29Å; F81-F214 HydrophobicContact CE1-CD2 4.02Å; F81-F214 HydrophobicContact CE1-CG 4.28Å; F81-F214 HydrophobicContact CE2-CB 4.18Å; F81-F214 AromaticContact CE2-CD2 3.97Å; F81-F214 HydrophobicContact CE2-CD2 3.97Å; F81-F214 AromaticContact CG-CD2 3.89Å; F81-F214 HydrophobicContact CG-CD2 3.89Å; F81-F214 HydrophobicContact CG-CE2 4.14Å; F81-F214 HydrophobicContact CZ-CB 3.83Å; F81-F214 HydrophobicContact CZ-CD2 4.04Å; F81-F214 HydrophobicContact CZ-CG 4.24Å
82D85Confident84.7Confident41 Ų4148.1 Ų48.122%0.21924%0.242CC..  trans-56.2137.8168.5-176.4-49.3000109.9A84 L85 A86 E121D82-A84 VanDerWaalsContact C-N 3.28Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-A84 WeakPolarHBondContact OD1-CB 3.23Å; D82-A84 PolarHBondContact OD1-N 3.15Å; D82-L85 HydrophobicContact CB-CB 4.03Å; D82-L85 PolarHBondContact O-N 3.38Å; D82-A86 WeakPolarHBondContact O-CB 3.5Å; D82-A86 PolarHBondContact O-N 2.76Å; D82-E121 WeakPolarHBondContact OD2-CB 3.38Å; D82-E121 PolarHBondContact OD2-N 2.81Å
83N85.2Confident85.1Confident108 Ų10840.3 Ų40.358%0.57821%0.213SC*.Hα-helixtrans-59.4-36.5-178.6-71.9-55.1000112.9S87 Y236N83-S87 VanDerWaalsContact O-CB 3.31Å; N83-S87 WeakPolarHBondContact O-CB 3.44Å; N83-S87 PolarHBondContact O-N 3.15Å; N83-S87 PolarHBondContact O-OG 3.27Å; N83-Y236 HydrophobicContact CB-CE1 4.21Å
84A87.6Confident85.5Confident12 Ų1240.4 Ų40.410%0.09921%0.214CC..Hα-helixtrans-68-47.9176.400000110.8D82 A86 S87 A88 G119 E120D82-A84 VanDerWaalsContact C-N 3.28Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-A84 WeakPolarHBondContact OD1-CB 3.23Å; D82-A84 PolarHBondContact OD1-N 3.15Å; A84-A86 PolarHBondContact O-N 3.24Å; A84-S87 PolarHBondContact O-N 3.14Å; A84-S87 PolarHBondContact O-OG 3.06Å; A84-A88 PolarHBondContact O-N 3.13Å; A84-G119 WeakPolarHBondContact CB-O 3.19Å; A84-E120 HydrophobicContact CB-CB 4.33Å
85L90.8Very high85.8Confident2 Ų240.8 Ų40.81%0.0122%0.221CC..Hα-helixtrans-58.4-47.6174.8179.361.8000111.3F81 D82 S87 A88 L89 F117 I205 L206F81-L85 HydrophobicContact CD1-CD2 4.38Å; D82-L85 HydrophobicContact CB-CB 4.03Å; D82-L85 PolarHBondContact O-N 3.38Å; L85-S87 VanDerWaalsContact C-N 3.35Å; L85-S87 PolarHBondContact O-N 2.84Å; L85-A88 PolarHBondContact O-N 2.87Å; L85-L89 HydrophobicContact CD1-CD1 4.24Å; L85-L89 HydrophobicContact CD1-CG 4.16Å; L85-L89 HydrophobicContact CG-CD1 4.12Å; L85-L89 HydrophobicContact CG-CG 4.41Å; L85-L89 WeakPolarHBondContact O-CB 3.19Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.24Å; L85-L89 PolarHBondContact O-N 2.79Å; L85-F117 HydrophobicContact CD1-CD2 3.67Å; L85-F117 HydrophobicContact CD1-CE2 3.74Å; L85-I205 HydrophobicContact CD2-CG2 4.08Å; L85-L206 HydrophobicContact CD1-CD2 4.44Å; L85-L206 HydrophobicContact CD2-CD2 4.3Å
86A90.9Very high86.2Confident0 Ų035.2 Ų35.20%020%0.199CC..Hα-helixtrans-58.3-45.9176.700000111.5F81 D82 A84 A88 L89 L90 F214 Y236F81-A86 HydrophobicContact CB-CB 4.38Å; D82-A86 WeakPolarHBondContact O-CB 3.5Å; D82-A86 PolarHBondContact O-N 2.76Å; A84-A86 PolarHBondContact O-N 3.24Å; A86-A88 VanDerWaalsContact C-N 3.35Å; A86-A88 PolarHBondContact O-N 3.43Å; A86-L89 PolarHBondContact O-N 2.89Å; A86-L90 WeakPolarHBondContact O-CB 3.49Å; A86-L90 WeakPolarHBondContact O-CD1 3.36Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 2.97Å; A86-F214 HydrophobicContact CB-CE2 3.86Å; A86-F214 HydrophobicContact CB-CZ 3.86Å; A86-Y236 HydrophobicContact CB-CE1 3.88Å
87S90.9Very high86.5Confident13 Ų1334.7 Ų34.79%0.09120%0.197CC..Hα-helixtrans-61.8-40.1178.776.10000112.6N83 A84 L85 Y91 L249N83-S87 VanDerWaalsContact O-CB 3.31Å; N83-S87 WeakPolarHBondContact O-CB 3.44Å; N83-S87 PolarHBondContact O-N 3.15Å; N83-S87 PolarHBondContact O-OG 3.27Å; A84-S87 PolarHBondContact O-N 3.14Å; A84-S87 PolarHBondContact O-OG 3.06Å; L85-S87 VanDerWaalsContact C-N 3.35Å; L85-S87 PolarHBondContact O-N 2.84Å; S87-Y91 PolarHBondContact O-N 3.22Å; S87-Y91 VanDerWaalsContact O-N 3.14Å; S87-L249 WeakPolarHBondContact OG-CD2 3.32Å
88A90.7Very high87Confident0 Ų032.1 Ų32.10%019%0.185CC..Hα-helixtrans-68.5-45.2176.200000112.5A84 L85 A86 L90 Y91 I92 F117A84-A88 PolarHBondContact O-N 3.13Å; L85-A88 PolarHBondContact O-N 2.87Å; A86-A88 VanDerWaalsContact C-N 3.35Å; A86-A88 PolarHBondContact O-N 3.43Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 3.32Å; A88-Y91 PolarHBondContact O-N 2.91Å; A88-I92 VanDerWaalsContact O-CG1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.47Å; A88-I92 PolarHBondContact O-N 3.48Å; A88-F117 HydrophobicContact CB-CB 4.07Å; A88-F117 HydrophobicContact CB-CD1 3.37Å; A88-F117 HydrophobicContact CB-CD2 3.79Å; A88-F117 HydrophobicContact CB-CE1 3.64Å; A88-F117 HydrophobicContact CB-CE2 4.03Å; A88-F117 HydrophobicContact CB-CG 3.44Å; A88-F117 VanDerWaalsContact CB-CG 3.44Å; A88-F117 HydrophobicContact CB-CZ 3.96Å
89L92.9Very high87.4Confident1 Ų139.2 Ų39.21%0.00521%0.209CC..Hα-helixtrans-60.6-42.9177-69.5-178.8000111.8F81 L85 A86 Y91 I92 I93 I108 A112 L206 F214F81-L89 HydrophobicContact CD1-CD1 4.39Å; F81-L89 HydrophobicContact CE1-CD1 4.3Å; L85-L89 HydrophobicContact CD1-CD1 4.24Å; L85-L89 HydrophobicContact CD1-CG 4.16Å; L85-L89 HydrophobicContact CG-CD1 4.12Å; L85-L89 HydrophobicContact CG-CG 4.41Å; L85-L89 WeakPolarHBondContact O-CB 3.19Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.24Å; L85-L89 PolarHBondContact O-N 2.79Å; A86-L89 PolarHBondContact O-N 2.89Å; L89-Y91 PolarHBondContact O-N 3.43Å; L89-I92 PolarHBondContact O-N 3.07Å; L89-I93 WeakPolarHBondContact O-CD1 3.43Å; L89-I93 WeakPolarHBondContact O-CG1 3.49Å; L89-I93 PolarHBondContact O-N 3.16Å; L89-I108 HydrophobicContact CD2-CG2 3.51Å; L89-A112 HydrophobicContact CD2-CB 4.35Å; L89-L206 HydrophobicContact CD1-CD2 4.32Å; L89-F214 HydrophobicContact CB-CE1 3.95Å; L89-F214 HydrophobicContact CB-CZ 4.41Å; L89-F214 HydrophobicContact CD1-CE1 4.5Å
90L92.3Very high88Confident1 Ų142.7 Ų42.71%0.00521%0.208CC..Hα-helixtrans-62.5-41.1176.9-70165.9000112.3A86 A88 I93 G94 F214 T218 P228 I232 Y236 L238A86-L90 WeakPolarHBondContact O-CB 3.49Å; A86-L90 WeakPolarHBondContact O-CD1 3.36Å; A86-L90 WeakPolarHBondContact O-CG 3.48Å; A86-L90 PolarHBondContact O-N 2.97Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 3.32Å; L90-I93 PolarHBondContact O-N 2.88Å; L90-G94 PolarHBondContact O-N 2.99Å; L90-G94 VanDerWaalsContact O-N 3.09Å; L90-F214 HydrophobicContact CD1-CZ 4.32Å; L90-F214 HydrophobicContact CD2-CE1 3.91Å; L90-F214 HydrophobicContact CD2-CZ 4.09Å; L90-F214 HydrophobicContact CG-CE1 3.99Å; L90-F214 HydrophobicContact CG-CZ 3.89Å; L90-T218 HydrophobicContact CD2-CG2 4.31Å; L90-T218 WeakPolarHBondContact CD2-OG1 3.4Å; L90-P228 HydrophobicContact CB-CG 4.48Å; L90-P228 HydrophobicContact CD2-CB 4.15Å; L90-P228 HydrophobicContact CD2-CG 4.35Å; L90-P228 WeakPolarHBondContact O-CG 3.1Å; L90-I232 HydrophobicContact CD1-CG2 3.7Å; L90-I232 HydrophobicContact CD2-CG2 4.13Å; L90-Y236 HydrophobicContact CD1-CD2 3.41Å; L90-Y236 VanDerWaalsContact CD1-CD2 3.41Å; L90-Y236 HydrophobicContact CD1-CE2 3.75Å; L90-Y236 HydrophobicContact CD1-CG 4.02Å; L90-L238 HydrophobicContact CB-CD1 3.51Å; L90-L238 HydrophobicContact CD1-CD1 4.07Å; L90-L238 HydrophobicContact CG-CD1 4.44Å
91Y89.8Confident88.3Confident35 Ų3541.5 Ų41.514%0.13719%0.194CC..Hα-helixtrans-63.1-46.9176.1-165.1-78.5000111.4S87 A88 L89 I93 G94 G95 L238 W246 L249 E254S87-Y91 PolarHBondContact O-N 3.22Å; S87-Y91 VanDerWaalsContact O-N 3.14Å; A88-Y91 PolarHBondContact O-N 2.91Å; L89-Y91 PolarHBondContact O-N 3.43Å; Y91-I93 VanDerWaalsContact C-N 3.35Å; Y91-I93 PolarHBondContact O-N 3.12Å; Y91-G94 PolarHBondContact O-N 3.44Å; Y91-G95 PolarHBondContact O-N 2.83Å; Y91-L238 HydrophobicContact CD2-CD2 4.45Å; Y91-W246 HydrophobicContact CD1-CB 4.42Å; Y91-W246 AromaticContact CD1-CE3 3.74Å; Y91-W246 HydrophobicContact CD1-CE3 3.74Å; Y91-W246 HydrophobicContact CD1-CZ3 4.47Å; Y91-W246 HydrophobicContact CE1-CB 3.66Å; Y91-W246 HydrophobicContact CE1-CD2 4.48Å; Y91-W246 HydrophobicContact CE1-CE3 4.07Å; Y91-W246 HydrophobicContact CE1-CG 4.38Å; Y91-W246 HydrophobicContact CG-CE3 4.48Å; Y91-W246 PolarHBondContact OH-N 2.99Å; Y91-L249 HydrophobicContact CD2-CD1 3.93Å; Y91-L249 HydrophobicContact CG-CD1 3.87Å; Y91-E254 WeakPolarHBondContact CE1-OE1 3.48Å; Y91-E254 WeakPolarHBondContact CE1-OE2 3.32Å; Y91-E254 PolarHBondContact OH-OE2 2.96Å
92I90.6Very high88.7Confident1 Ų145.4 Ų45.41%0.00522%0.22CC..Hα-helixtrans-58.9-44.7176-66.7168000111.1A88 L89 G94 G95 A96 F111 F117 W246 W257A88-I92 VanDerWaalsContact O-CG1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.47Å; A88-I92 PolarHBondContact O-N 3.48Å; L89-I92 PolarHBondContact O-N 3.07Å; I92-G94 PolarHBondContact O-N 2.99Å; I92-G95 PolarHBondContact O-N 2.87Å; I92-A96 VanDerWaalsContact O-CB 3.23Å; I92-A96 WeakPolarHBondContact O-CB 3.42Å; I92-A96 PolarHBondContact O-N 3.24Å; I92-F111 HydrophobicContact CD1-CD1 3.98Å; I92-F111 HydrophobicContact CD1-CE1 4.27Å; I92-F117 HydrophobicContact CD1-CE1 4.28Å; I92-F117 HydrophobicContact CD1-CZ 4Å; I92-W246 HydrophobicContact CD1-CH2 4.13Å; I92-W246 HydrophobicContact CD1-CZ3 4.17Å; I92-W246 HydrophobicContact CG1-CH2 4.12Å; I92-W246 HydrophobicContact CG1-CZ3 3.81Å; I92-W257 HydrophobicContact CD1-CH2 4.01Å; I92-W257 HydrophobicContact CD1-CZ3 4.36Å; I92-W257 HydrophobicContact CG1-CE3 4.5Å; I92-W257 HydrophobicContact CG1-CH2 3.69Å; I92-W257 HydrophobicContact CG1-CZ2 3.82Å; I92-W257 HydrophobicContact CG1-CZ3 4.04Å; I92-W257 HydrophobicContact CG2-CD2 4.37Å; I92-W257 HydrophobicContact CG2-CE3 3.91Å; I92-W257 HydrophobicContact CG2-CH2 4.47Å; I92-W257 HydrophobicContact CG2-CZ3 3.96Å
93I91.2Very high88.8Confident1 Ų147.6 Ų47.61%0.00523%0.229CC..Hα-helixtrans-60.5-45.2179.2-67.6158.1000111.1L89 L90 Y91 G95 A96 L104 I108 F214 I215 F226 P228L89-I93 WeakPolarHBondContact O-CD1 3.43Å; L89-I93 WeakPolarHBondContact O-CG1 3.49Å; L89-I93 PolarHBondContact O-N 3.16Å; L90-I93 PolarHBondContact O-N 2.88Å; Y91-I93 VanDerWaalsContact C-N 3.35Å; Y91-I93 PolarHBondContact O-N 3.12Å; I93-G95 PolarHBondContact O-N 3.42Å; I93-A96 PolarHBondContact O-N 2.93Å; I93-L104 HydrophobicContact CG1-CD1 4.13Å; I93-L104 HydrophobicContact CG1-CD2 4.26Å; I93-L104 HydrophobicContact CG1-CG 4.45Å; I93-L104 HydrophobicContact CG2-CD1 4.47Å; I93-L104 HydrophobicContact CG2-CD2 3.91Å; I93-I108 HydrophobicContact CD1-CD1 4.11Å; I93-I108 HydrophobicContact CG1-CD1 3.76Å; I93-F214 HydrophobicContact CD1-CD1 4.41Å; I93-F214 HydrophobicContact CD1-CE1 4.3Å; I93-I215 HydrophobicContact CD1-CG1 3.89Å; I93-F226 HydrophobicContact CG2-CB 4.43Å; I93-P228 HydrophobicContact CG2-CG 4.49Å
94G86.9Confident89.1Confident33 Ų3342.5 Ų42.534%0.3420%0.202SC..Hα-helixtrans-61.8-40.2177.200000113.5L90 Y91 I92L90-G94 PolarHBondContact O-N 2.99Å; L90-G94 VanDerWaalsContact O-N 3.09Å; Y91-G94 PolarHBondContact O-N 3.44Å; I92-G94 PolarHBondContact O-N 2.99Å
95G85.4Confident89.3Confident22 Ų2242 Ų4223%0.22720%0.198CC..Hα-helixtrans-73.3-35.2177.900000114.3Y91 I92 I93 R97 W257 S258Y91-G95 PolarHBondContact O-N 2.83Å; I92-G95 PolarHBondContact O-N 2.87Å; I93-G95 PolarHBondContact O-N 3.42Å; G95-R97 VanDerWaalsContact C-N 3.31Å; G95-R97 PolarHBondContact O-N 3.25Å; G95-W257 VanDerWaalsContact C-CB 3.45Å; G95-S258 PolarHBondContact O-OG 3.32Å
96A86.8Confident89.3Confident1 Ų145.4 Ų45.41%0.00821%0.213CC..Hα-helixtrans-70.1-22.9-171.100000114.9I92 I93 K98 L104 L107 W257I92-A96 VanDerWaalsContact O-CB 3.23Å; I92-A96 WeakPolarHBondContact O-CB 3.42Å; I92-A96 PolarHBondContact O-N 3.24Å; I93-A96 PolarHBondContact O-N 2.93Å; A96-K98 HydrophobicContact CB-CG 4.1Å; A96-K98 VanDerWaalsContact O-CD 3.28Å; A96-K98 WeakPolarHBondContact O-CD 3.36Å; A96-K98 WeakPolarHBondContact O-CE 3.19Å; A96-K98 WeakPolarHBondContact O-CG 3.39Å; A96-K98 PolarHBondContact O-N 3.35Å; A96-L104 HydrophobicContact CB-CD1 4.09Å; A96-L107 HydrophobicContact CB-CD2 3.48Å; A96-L107 VanDerWaalsContact CB-CD2 3.48Å; A96-W257 HydrophobicContact CB-CB 4.17Å
97R85.7Confident89.2Confident177 Ų17745.9 Ų45.967%0.66822%0.216SC*.  trans48.628.7176.5-63.7-179.2-179-106.22.3115.5G95 V225G95-R97 VanDerWaalsContact C-N 3.31Å; G95-R97 PolarHBondContact O-N 3.25Å; R97-V225 VanDerWaalsContact C-CG1 3.5Å; R97-V225 VanDerWaalsContact CA-CG1 3.48Å; R97-V225 HydrophobicContact CB-CG1 4.11Å
98K86.3Confident89.2Confident31 Ų3145.3 Ų45.314%0.13521%0.212CC..  trans-76137.8-178-52.2-57.8178.7-1790110.9A96 L104 F226 S258 L260A96-K98 HydrophobicContact CB-CG 4.1Å; A96-K98 VanDerWaalsContact O-CD 3.28Å; A96-K98 WeakPolarHBondContact O-CD 3.36Å; A96-K98 WeakPolarHBondContact O-CE 3.19Å; A96-K98 WeakPolarHBondContact O-CG 3.39Å; A96-K98 PolarHBondContact O-N 3.35Å; K98-L104 HydrophobicContact CB-CB 4.18Å; K98-L104 HydrophobicContact CG-CD1 4.4Å; K98-F226 PolarHBondContact O-N 3.23Å; K98-S258 PolarHBondContact NZ-O 2.83Å; K98-L260 PolarHBondContact NZ-O 2.88Å
99R87.5Confident89.1Confident186 Ų18646 Ų4670%0.70222%0.217SC*.SBendtrans-84.1-26.3178-60.1-169.8178172-0.1113.3G224 V225 F226R99-G224 WeakPolarHBondContact CA-O 3.38Å; R99-G224 VanDerWaalsContact CB-O 3.27Å; R99-G224 WeakPolarHBondContact CB-O 3.43Å; R99-G224 VanDerWaalsContact CG-O 3.27Å; R99-G224 WeakPolarHBondContact CG-O 3.24Å; R99-V225 HydrophobicContact CG-CG2 3.91Å; R99-F226 WeakPolarHBondContact O-CE2 3.35Å
100R88.2Confident88.7Confident165 Ų16548.4 Ų48.462%0.62324%0.241SC*.SBendtrans-110.2131.2-173.9-73.2164.3167.6178.50.7111.1E103 L104R100-E103 HydrophobicContact CB-CB 4.42Å; R100-E103 HydrophobicContact CB-CG 4.19Å; R100-E103 WeakPolarHBondContact CD-OE1 3.07Å; R100-E103 IonicContact CZ-OE1 2.71Å; R100-E103 IonicContact NE-OE1 2.69Å; R100-E103 IonicContact NH1-OE1 2.73Å; R100-E103 PolarHBondContact NH1-OE1 3.43Å; R100-E103 PolarHBondContact O-N 2.71Å; R100-L104 PolarHBondContact O-N 3.02Å
101L88Confident88.6Confident31 Ų3149.3 Ų49.316%0.16225%0.245CC..Hα-helixtrans-58-42.3-179.2-177.163.7000113.5E103 L104 V105 K212 I215 F226L101-E103 PolarHBondContact O-N 2.65Å; L101-L104 PolarHBondContact O-N 2.98Å; L101-V105 HydrophobicContact CD1-CG2 4.13Å; L101-V105 HydrophobicContact CG-CG2 4.27Å; L101-V105 VanDerWaalsContact O-CG2 3.25Å; L101-V105 WeakPolarHBondContact O-CG2 3.26Å; L101-V105 PolarHBondContact O-N 2.66Å; L101-K212 HydrophobicContact CD2-CG 4.27Å; L101-I215 HydrophobicContact CD1-CB 4Å; L101-I215 HydrophobicContact CD1-CD1 3.72Å; L101-I215 HydrophobicContact CD1-CG1 4.48Å; L101-I215 HydrophobicContact CD1-CG2 3.64Å; L101-F226 HydrophobicContact CB-CE2 3.98Å; L101-F226 HydrophobicContact CB-CZ 3.86Å; L101-F226 HydrophobicContact CD1-CE1 4.39Å; L101-F226 HydrophobicContact CD1-CZ 4.28Å
102P89.4Confident88.6Confident93 Ų9347.6 Ų47.660%0.60424%0.239SC*.Hα-helixtrans-63.3-41.2179.1-24.135.7000113.7L104 V105 E106P102-L104 VanDerWaalsContact C-N 3.28Å; P102-L104 PolarHBondContact O-N 3.38Å; P102-V105 PolarHBondContact O-N 3.49Å; P102-E106 PolarHBondContact O-N 3.3Å
103E86.9Confident88.3Confident87 Ų8751.1 Ų51.141%0.40726%0.263SS..Hα-helixtrans-62.7-37.2178.3-67.4166.3-167.100111.3R100 L101 L107R100-E103 HydrophobicContact CB-CB 4.42Å; R100-E103 HydrophobicContact CB-CG 4.19Å; R100-E103 WeakPolarHBondContact CD-OE1 3.07Å; R100-E103 IonicContact CZ-OE1 2.71Å; R100-E103 IonicContact NE-OE1 2.69Å; R100-E103 IonicContact NH1-OE1 2.73Å; R100-E103 PolarHBondContact NH1-OE1 3.43Å; R100-E103 PolarHBondContact O-N 2.71Å; L101-E103 PolarHBondContact O-N 2.65Å; E103-L107 WeakPolarHBondContact O-CB 3.34Å; E103-L107 PolarHBondContact O-N 3.3Å
104L91.5Very high88Confident1 Ų153.8 Ų53.81%0.00528%0.282CS..Hα-helixtrans-70.5-40.4174.7-175.558.3000112.6I93 A96 K98 R100 L101 P102 I108 I215 F226I93-L104 HydrophobicContact CG1-CD1 4.13Å; I93-L104 HydrophobicContact CG1-CD2 4.26Å; I93-L104 HydrophobicContact CG1-CG 4.45Å; I93-L104 HydrophobicContact CG2-CD1 4.47Å; I93-L104 HydrophobicContact CG2-CD2 3.91Å; A96-L104 HydrophobicContact CB-CD1 4.09Å; K98-L104 HydrophobicContact CB-CB 4.18Å; K98-L104 HydrophobicContact CG-CD1 4.4Å; R100-L104 PolarHBondContact O-N 3.02Å; L101-L104 PolarHBondContact O-N 2.98Å; P102-L104 VanDerWaalsContact C-N 3.28Å; P102-L104 PolarHBondContact O-N 3.38Å; L104-I108 HydrophobicContact CD1-CD1 4.17Å; L104-I108 HydrophobicContact CG-CD1 4.07Å; L104-I108 WeakPolarHBondContact O-CD1 3.37Å; L104-I108 VanDerWaalsContact O-CG1 3.31Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 2.85Å; L104-I108 VanDerWaalsContact O-N 3.08Å; L104-I215 HydrophobicContact CD2-CD1 3.95Å; L104-I215 HydrophobicContact CD2-CG1 4.37Å; L104-I215 HydrophobicContact CD2-CG2 4.09Å; L104-I215 HydrophobicContact CG-CD1 4.02Å; L104-F226 HydrophobicContact CD2-CB 3.74Å; L104-F226 HydrophobicContact CD2-CD2 4.31Å; L104-F226 HydrophobicContact CD2-CG 4.04Å
105V93.1Very high88.1Confident2 Ų253.7 Ų53.71%0.01227%0.271CS..Hα-helixtrans-66-46.1178.4171.20000111.2L101 P102 L107 I108 C109 R208 I211 K212 I215L101-V105 HydrophobicContact CD1-CG2 4.13Å; L101-V105 HydrophobicContact CG-CG2 4.27Å; L101-V105 VanDerWaalsContact O-CG2 3.25Å; L101-V105 WeakPolarHBondContact O-CG2 3.26Å; L101-V105 PolarHBondContact O-N 2.66Å; P102-V105 PolarHBondContact O-N 3.49Å; V105-L107 PolarHBondContact O-N 3.22Å; V105-I108 PolarHBondContact O-N 2.95Å; V105-C109 WeakPolarHBondContact O-CB 3.43Å; V105-C109 PolarHBondContact O-N 3.43Å; V105-C109 PolarHBondContact O-SG 2.93Å; V105-R208 HydrophobicContact CG1-CB 4.2Å; V105-R208 HydrophobicContact CG1-CG 4.11Å; V105-I211 HydrophobicContact CG1-CG2 4.41Å; V105-I211 HydrophobicContact CG2-CG2 4.16Å; V105-K212 HydrophobicContact CG2-CG 3.75Å; V105-I215 HydrophobicContact CG2-CD1 3.86Å
106E89.5Confident88.4Confident73 Ų7353.2 Ų53.234%0.34126%0.263SS..Hα-helixtrans-66.1-36.1178.1-67.1-57.7137.500112.2P102 C109 G110 R208P102-E106 PolarHBondContact O-N 3.3Å; E106-C109 PolarHBondContact O-N 3.37Å; E106-G110 PolarHBondContact O-N 3.5Å; E106-R208 IonicContact OE1-CZ 3.29Å; E106-R208 VanDerWaalsContact OE1-CZ 3.3Å; E106-R208 IonicContact OE1-NE 2.85Å; E106-R208 PolarHBondContact OE1-NE 2.88Å; E106-R208 IonicContact OE1-NH2 2.85Å; E106-R208 PolarHBondContact OE1-NH2 3.49Å; E106-R208 IonicContact OE2-CZ 3.79Å; E106-R208 IonicContact OE2-NE 3Å; E106-R208 IonicContact OE2-NH2 2.83Å; E106-R208 PolarHBondContact OE2-NH2 2.91Å
107L89.7Confident88.6Confident9 Ų953.2 Ų53.25%0.04726%0.263CS..Hα-helixtrans-59.5-47.4172.1176.563.7000111.6A96 E103 V105 G110 F111 L260A96-L107 HydrophobicContact CB-CD2 3.48Å; A96-L107 VanDerWaalsContact CB-CD2 3.48Å; E103-L107 WeakPolarHBondContact O-CB 3.34Å; E103-L107 PolarHBondContact O-N 3.3Å; V105-L107 PolarHBondContact O-N 3.22Å; L107-G110 PolarHBondContact O-N 3.05Å; L107-F111 WeakPolarHBondContact O-CB 3.35Å; L107-F111 PolarHBondContact O-N 2.96Å; L107-L260 HydrophobicContact CD1-CB 4.04Å
108I91.3Very high88.8Confident2 Ų246.5 Ų46.51%0.0124%0.242CC..Hα-helixtrans-65-47.9178.6-70.1163.8000111.1L89 I93 L104 V105 G110 F111 A112 I211 I215L89-I108 HydrophobicContact CD2-CG2 3.51Å; I93-I108 HydrophobicContact CD1-CD1 4.11Å; I93-I108 HydrophobicContact CG1-CD1 3.76Å; L104-I108 HydrophobicContact CD1-CD1 4.17Å; L104-I108 HydrophobicContact CG-CD1 4.07Å; L104-I108 WeakPolarHBondContact O-CD1 3.37Å; L104-I108 VanDerWaalsContact O-CG1 3.31Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 2.85Å; L104-I108 VanDerWaalsContact O-N 3.08Å; V105-I108 PolarHBondContact O-N 2.95Å; I108-G110 PolarHBondContact O-N 3.04Å; I108-F111 PolarHBondContact O-N 3.44Å; I108-A112 WeakPolarHBondContact O-CB 3.39Å; I108-A112 PolarHBondContact O-N 2.85Å; I108-I211 HydrophobicContact CB-CG2 4.25Å; I108-I211 HydrophobicContact CD1-CG2 3.97Å; I108-I211 HydrophobicContact CG2-CD1 3.9Å; I108-I211 HydrophobicContact CG2-CG1 4.29Å; I108-I211 HydrophobicContact CG2-CG2 3.94Å; I108-I215 HydrophobicContact CD1-CD1 3.95Å; I108-I215 HydrophobicContact CD1-CG1 4.42Å
109C88.3Confident88.8Confident15 Ų1546.6 Ų46.610%0.10125%0.251CS..Hα-helixtrans-58.4-46.7176.9-75.10000111.4V105 E106 F111 S113 I211V105-C109 WeakPolarHBondContact O-CB 3.43Å; V105-C109 PolarHBondContact O-N 3.43Å; V105-C109 PolarHBondContact O-SG 2.93Å; E106-C109 PolarHBondContact O-N 3.37Å; C109-F111 PolarHBondContact O-N 3.22Å; C109-S113 VanDerWaalsContact O-CB 3.23Å; C109-S113 WeakPolarHBondContact O-CB 3.22Å; C109-S113 PolarHBondContact O-N 3.28Å; C109-S113 PolarHBondContact O-OG 2.8Å; C109-I211 WeakPolarHBondContact SG-CD1 3.2Å
110G85.3Confident89Confident51 Ų5137.9 Ų37.953%0.52622%0.219SC..Hα-helixtrans-64.9-35.7-179.600000113.8E106 L107 I108E106-G110 PolarHBondContact O-N 3.5Å; L107-G110 PolarHBondContact O-N 3.05Å; I108-G110 PolarHBondContact O-N 3.04Å
111F88.3Confident88.9Confident19 Ų1933.5 Ų33.58%0.08321%0.205CC..Hα-helixtrans-82.1-51.1179.6-169.8-92.8000113.2I92 L107 I108 C109 R115 F117 W246 F250 W257I92-F111 HydrophobicContact CD1-CD1 3.98Å; I92-F111 HydrophobicContact CD1-CE1 4.27Å; L107-F111 WeakPolarHBondContact O-CB 3.35Å; L107-F111 PolarHBondContact O-N 2.96Å; I108-F111 PolarHBondContact O-N 3.44Å; C109-F111 PolarHBondContact O-N 3.22Å; F111-R115 WeakPolarHBondContact O-CB 3.29Å; F111-R115 WeakPolarHBondContact O-CD 3.37Å; F111-R115 WeakPolarHBondContact O-CG 3.34Å; F111-R115 PolarHBondContact O-NH1 3.43Å; F111-F117 HydrophobicContact CD1-CZ 4.23Å; F111-F117 HydrophobicContact CE1-CE1 4.05Å; F111-F117 HydrophobicContact CE1-CZ 4.09Å; F111-W246 AromaticContact CE1-CH2 3.98Å; F111-W246 HydrophobicContact CE1-CH2 3.98Å; F111-W246 HydrophobicContact CE1-CZ2 4.35Å; F111-W246 HydrophobicContact CZ-CH2 4.16Å; F111-W246 HydrophobicContact CZ-CZ2 4.07Å; F111-F250 HydrophobicContact CE1-CE1 4.26Å; F111-F250 HydrophobicContact CZ-CD1 4.11Å; F111-F250 AromaticContact CZ-CE1 3.76Å; F111-F250 HydrophobicContact CZ-CE1 3.76Å; F111-W257 HydrophobicContact CD1-CH2 4.28Å; F111-W257 HydrophobicContact CD1-CZ3 4.46Å; F111-W257 HydrophobicContact CD2-CH2 4.24Å; F111-W257 HydrophobicContact CD2-CZ3 4.04Å; F111-W257 HydrophobicContact CE1-CH2 4Å; F111-W257 AromaticContact CE2-CH2 3.95Å; F111-W257 HydrophobicContact CE2-CH2 3.95Å; F111-W257 HydrophobicContact CE2-CZ3 4.17Å; F111-W257 HydrophobicContact CG-CH2 4.4Å; F111-W257 HydrophobicContact CG-CZ3 4.19Å; F111-W257 AromaticContact CZ-CH2 3.82Å; F111-W257 HydrophobicContact CZ-CH2 3.82Å; F111-W257 HydrophobicContact CZ-CZ3 4.44Å
112A89.7Confident89Confident0 Ų032 Ų320%020%0.197CC..Hα-helixtrans-85.1-19.2-167.100000114.6L89 I108 S114 R115 F117 R200 L206L89-A112 HydrophobicContact CD2-CB 4.35Å; I108-A112 WeakPolarHBondContact O-CB 3.39Å; I108-A112 PolarHBondContact O-N 2.85Å; A112-S114 VanDerWaalsContact C-N 3.27Å; A112-S114 PolarHBondContact O-N 3.41Å; A112-R115 PolarHBondContact O-N 3.05Å; A112-F117 HydrophobicContact CB-CE2 4.2Å; A112-F117 HydrophobicContact CB-CZ 4.42Å; A112-R200 PolarHBondContact O-NH1 2.98Å; A112-L206 HydrophobicContact CB-CD1 3.83Å; A112-L206 WeakPolarHBondContact O-CD1 3.25Å
113S85.8Confident88.9Confident74 Ų7429.7 Ų29.752%0.51718%0.178SC..THydrogen-bonded Turntrans-64.8-29.2-177.6-60.10000113.7C109C109-S113 VanDerWaalsContact O-CB 3.23Å; C109-S113 WeakPolarHBondContact O-CB 3.22Å; C109-S113 PolarHBondContact O-N 3.28Å; C109-S113 PolarHBondContact O-OG 2.8Å
114S84.6Confident88.8Confident57 Ų5725.7 Ų25.740%0.39916%0.16SC..THydrogen-bonded Turntrans-115.39.8-178.557.10000114.1A112A112-S114 VanDerWaalsContact C-N 3.27Å; A112-S114 PolarHBondContact O-N 3.41Å
115R89.8Confident88.2Confident31 Ų3129.1 Ų29.112%0.11718%0.176CC..  trans-133146.6-177.9-63.5178.6179.378.90.3110.6F111 A112 A168 L171 R200 F250F111-R115 WeakPolarHBondContact O-CB 3.29Å; F111-R115 WeakPolarHBondContact O-CD 3.37Å; F111-R115 WeakPolarHBondContact O-CG 3.34Å; F111-R115 PolarHBondContact O-NH1 3.43Å; A112-R115 PolarHBondContact O-N 3.05Å; R115-A168 HydrophobicContact CG-CB 4.33Å; R115-L171 HydrophobicContact CG-CD1 4.24Å; R115-R200 PolarHBondContact O-NH1 2.87Å; R115-R200 PolarHBondContact O-NH2 2.91Å; R115-F250 HydrophobicContact CB-CE2 4.31Å; R115-F250 HydrophobicContact CB-CZ 3.93Å; R115-F250 HydrophobicContact CG-CZ 4.14Å
116F90.7Very high86.9Confident13 Ų1330.5 Ų30.56%0.05718%0.184CC..  trans-126.5143.8-176.6-52.2-89.4000111.3E120 I122 I137 Y173 I198 R200 F250F116-E120 WeakPolarHBondContact CA-OE2 3.42Å; F116-I122 HydrophobicContact CD1-CG2 4.17Å; F116-I137 HydrophobicContact CB-CD1 3.22Å; F116-I137 HydrophobicContact CG-CD1 4.18Å; F116-Y173 HydrophobicContact CB-CD1 4.31Å; F116-Y173 HydrophobicContact CB-CE1 3.96Å; F116-Y173 HydrophobicContact CD2-CE1 4.26Å; F116-Y173 HydrophobicContact CD2-CE2 4.11Å; F116-Y173 AromaticContact CD2-CZ 3.91Å; F116-Y173 WeakPolarHBondContact O-CE1 3.4Å; F116-I198 HydrophobicContact CD1-CG2 4.01Å; F116-I198 HydrophobicContact CD2-CB 4.29Å; F116-I198 HydrophobicContact CD2-CG2 4.01Å; F116-I198 HydrophobicContact CE1-CG2 3.87Å; F116-I198 HydrophobicContact CE2-CB 3.84Å; F116-I198 HydrophobicContact CE2-CG2 3.88Å; F116-I198 HydrophobicContact CG-CG2 4.09Å; F116-I198 HydrophobicContact CZ-CB 3.97Å; F116-I198 HydrophobicContact CZ-CG2 3.81Å; F116-I198 WeakPolarHBondContact CZ-O 3.37Å; F116-R200 HydrophobicContact CD1-CG 4.24Å; F116-R200 HydrophobicContact CE1-CG 4.12Å; F116-F250 WeakPolarHBondContact O-CE2 3.28Å
117F91.9Very high85.7Confident0 Ų031.8 Ų31.80%021%0.208CC..  trans-98.4155.6-168.1-61.8-77.4000113.4L85 A88 I92 F111 A112 G119 E120 I137 W246 F250L85-F117 HydrophobicContact CD1-CD2 3.67Å; L85-F117 HydrophobicContact CD1-CE2 3.74Å; A88-F117 HydrophobicContact CB-CB 4.07Å; A88-F117 HydrophobicContact CB-CD1 3.37Å; A88-F117 HydrophobicContact CB-CD2 3.79Å; A88-F117 HydrophobicContact CB-CE1 3.64Å; A88-F117 HydrophobicContact CB-CE2 4.03Å; A88-F117 HydrophobicContact CB-CG 3.44Å; A88-F117 VanDerWaalsContact CB-CG 3.44Å; A88-F117 HydrophobicContact CB-CZ 3.96Å; I92-F117 HydrophobicContact CD1-CE1 4.28Å; I92-F117 HydrophobicContact CD1-CZ 4Å; F111-F117 HydrophobicContact CD1-CZ 4.23Å; F111-F117 HydrophobicContact CE1-CE1 4.05Å; F111-F117 HydrophobicContact CE1-CZ 4.09Å; A112-F117 HydrophobicContact CB-CE2 4.2Å; A112-F117 HydrophobicContact CB-CZ 4.42Å; F117-G119 PolarHBondContact O-N 2.72Å; F117-E120 PolarHBondContact N-OE2 2.84Å; F117-E120 WeakPolarHBondContact O-CB 3.29Å; F117-E120 PolarHBondContact O-N 3.39Å; F117-E120 VanDerWaalsContact O-N 3.15Å; F117-I137 WeakPolarHBondContact O-CB 3.45Å; F117-W246 HydrophobicContact CE1-CH2 4.02Å; F117-W246 HydrophobicContact CE1-CZ3 4.41Å; F117-F250 HydrophobicContact CD1-CB 4.24Å; F117-F250 AromaticContact CD1-CD2 3.88Å; F117-F250 HydrophobicContact CD1-CD2 3.88Å; F117-F250 HydrophobicContact CD1-CG 4.23Å; F117-F250 HydrophobicContact CE1-CD2 4.26Å; F117-F250 HydrophobicContact CE1-CG 4.38Å
118V88.5Confident84.4Confident37 Ų3738.8 Ų38.822%0.22425%0.245CC..THydrogen-bonded Turntrans-64.6130.4175.1174.70000109.5D138 V140 K248 L249V118-D138 VanDerWaalsContact CG1-O 3.3Å; V118-D138 WeakPolarHBondContact CG1-O 3.24Å; V118-V140 HydrophobicContact CG2-CG2 4.18Å; V118-K248 WeakPolarHBondContact CB-O 3.48Å; V118-K248 WeakPolarHBondContact CG1-O 3.23Å; V118-L249 WeakPolarHBondContact CB-O 3.26Å; V118-L249 PolarHBondContact N-O 3.46Å
119G87Confident82.9Confident33 Ų3340.5 Ų40.534%0.3426%0.257SS..THydrogen-bonded Turntrans88.9-6.5-174.400000115.2A84 F117 I137A84-G119 WeakPolarHBondContact CB-O 3.19Å; F117-G119 PolarHBondContact O-N 2.72Å; G119-I137 PolarHBondContact N-O 2.89Å
120E91Very high81.9Confident3 Ų346.1 Ų46.11%0.01429%0.286CS..  trans-73132.4-178.8-168.9170.3-164.100111.5A84 F116 F117 I122 I137 R200A84-E120 HydrophobicContact CB-CB 4.33Å; F116-E120 WeakPolarHBondContact CA-OE2 3.42Å; F117-E120 PolarHBondContact N-OE2 2.84Å; F117-E120 WeakPolarHBondContact O-CB 3.29Å; F117-E120 PolarHBondContact O-N 3.39Å; F117-E120 VanDerWaalsContact O-N 3.15Å; E120-I122 HydrophobicContact CG-CG2 4.15Å; E120-I137 PolarHBondContact O-N 2.74Å; E120-R200 IonicContact OE1-CZ 2.79Å; E120-R200 IonicContact OE1-NE 2.73Å; E120-R200 PolarHBondContact OE1-NE 3.16Å; E120-R200 IonicContact OE1-NH2 3.64Å; E120-R200 PolarHBondContact OE1-NH2 3.43Å; E120-R200 VanDerWaalsContact OE1-NH2 3.14Å; E120-R200 IonicContact OE2-CZ 3.67Å; E120-R200 IonicContact OE2-NE 3.85Å; E120-R200 IonicContact OE2-NH2 3.88Å; E120-R200 PolarHBondContact OE2-NH2 3Å
121E87.2Confident81.2Confident73 Ų7349.6 Ų49.634%0.34129%0.291SS..EExtended strand (participates in β ladder)trans-76.7118.5173-73.9-174.3-152.500110.9D82 I136 R201D82-E121 WeakPolarHBondContact OD2-CB 3.38Å; D82-E121 PolarHBondContact OD2-N 2.81Å; E121-I136 HydrophobicContact CG-CG1 4.24Å; E121-R201 IonicContact OE2-CZ 3.83Å; E121-R201 IonicContact OE2-NH1 3.8Å; E121-R201 PolarHBondContact OE2-NH1 3.49Å; E121-R201 IonicContact OE2-NH2 3.89Å; E121-R201 PolarHBondContact OE2-NH2 3.09Å
122I88.6Confident80.7Confident0 Ų054 Ų540%031%0.307CS..EExtended strand (participates in β ladder)trans-129.2159.2-176.758.168.2000113F116 E120 F124 G135 I137 V175 I198F116-I122 HydrophobicContact CD1-CG2 4.17Å; E120-I122 HydrophobicContact CG-CG2 4.15Å; I122-F124 HydrophobicContact CD1-CB 3.94Å; I122-F124 HydrophobicContact CD1-CD1 3.7Å; I122-F124 HydrophobicContact CD1-CG 4.2Å; I122-G135 PolarHBondContact N-O 2.99Å; I122-G135 PolarHBondContact O-N 3.33Å; I122-I137 HydrophobicContact CG1-CD1 4.09Å; I122-I137 HydrophobicContact CG1-CG1 3.78Å; I122-I137 HydrophobicContact CG2-CD1 4.14Å; I122-V175 HydrophobicContact CD1-CG1 3.73Å; I122-V175 HydrophobicContact CD1-CG2 4.17Å; I122-I198 HydrophobicContact CB-CG2 3.72Å; I122-I198 HydrophobicContact CD1-CG2 4Å; I122-I198 HydrophobicContact CG1-CG2 3.73Å; I122-I198 HydrophobicContact CG2-CG2 3.98Å
123E87.7Confident80.3Confident44 Ų4454.9 Ų54.921%0.20631%0.313CS..EExtended strand (participates in β ladder)trans-95.5132163.1-75.8171.4-154.700109R132 S133 L134 I198 N199E123-R132 WeakPolarHBondContact OE2-CD 3.31Å; E123-R132 IonicContact OE2-CZ 2.81Å; E123-R132 IonicContact OE2-NH1 3.53Å; E123-R132 PolarHBondContact OE2-NH1 2.82Å; E123-S133 WeakPolarHBondContact CA-O 3.36Å; E123-L134 HydrophobicContact CG-CD2 3.68Å; E123-I198 WeakPolarHBondContact O-CA 3.35Å; E123-N199 PolarHBondContact N-O 3.44Å; E123-N199 PolarHBondContact O-N 2.83Å
124F86.2Confident80.3Confident3 Ų354.9 Ų54.91%0.01331%0.307CS..EExtended strand (participates in β ladder)trans-133.7160.3174.169.6-74.3000110.8I122 T126 R132 S133 V175 E177 V193 I198I122-F124 HydrophobicContact CD1-CB 3.94Å; I122-F124 HydrophobicContact CD1-CD1 3.7Å; I122-F124 HydrophobicContact CD1-CG 4.2Å; F124-T126 WeakPolarHBondContact CE2-OG1 3.42Å; F124-R132 CarbonylContact O-C 3.59Å; F124-R132 WeakPolarHBondContact O-CA 3.41Å; F124-S133 VanDerWaalsContact CD1-O 3.31Å; F124-S133 WeakPolarHBondContact CD1-O 3.24Å; F124-S133 PolarHBondContact N-O 3.05Å; F124-S133 PolarHBondContact O-N 2.89Å; F124-V175 HydrophobicContact CD1-CG1 3.67Å; F124-V175 HydrophobicContact CE1-CG1 3.59Å; F124-V175 HydrophobicContact CG-CG1 4.25Å; F124-V175 HydrophobicContact CZ-CG1 4.1Å; F124-E177 HydrophobicContact CZ-CB 4.36Å; F124-E177 HydrophobicContact CZ-CG 4.41Å; F124-V193 HydrophobicContact CB-CG1 4.3Å; F124-V193 HydrophobicContact CD2-CG2 3.98Å; F124-I198 HydrophobicContact CB-CG1 4.33Å
125Q77.5Confident80.4Confident72 Ų7252.2 Ų52.234%0.33629%0.289SS..EExtended strand (participates in β ladder)trans-111.3120.1175-173176.5-6.900109.3S129 N130 I197Q125-S129 VanDerWaalsContact CG-O 3.3Å; Q125-S129 WeakPolarHBondContact CG-O 3.35Å; Q125-N130 PolarHBondContact NE2-OD1 3.41Å; Q125-I197 PolarHBondContact N-O 3.4Å
126T67Low80.4Confident31 Ų3153.1 Ų53.119%0.1930%0.295CS..  trans-75.6143.9173-48.20000109.3F124 D128 S129F124-T126 WeakPolarHBondContact CE2-OG1 3.42Å; T126-D128 PolarHBondContact O-N 2.83Å; T126-D128 VanDerWaalsContact O-N 3.09Å; T126-S129 PolarHBondContact O-N 3.4Å
127A63.2Low80.4Confident101 Ų10152.5 Ų52.584%0.83529%0.293SS*.THydrogen-bonded Turntrans-55.3-32.7-175.200000113.6
128D63.1Low80.1Confident156 Ų15654.8 Ų54.883%0.83431%0.305SS*.THydrogen-bonded Turntrans-85.6-3.8-175.6-48.2-49.1000113.8T126T126-D128 PolarHBondContact O-N 2.83Å; T126-D128 VanDerWaalsContact O-N 3.09Å
129S59.3Low80.1Confident37 Ų3761.3 Ų61.326%0.25933%0.325SS..  trans-142.5130.3-173.3660000113.8Q125 T126 I131Q125-S129 VanDerWaalsContact CG-O 3.3Å; Q125-S129 WeakPolarHBondContact CG-O 3.35Å; T126-S129 PolarHBondContact O-N 3.4Å; S129-I131 PolarHBondContact O-N 3.29Å
130N66.7Low80.2Confident133 Ų13360.5 Ų60.571%0.71131%0.314SS*.SBendtrans-71.3-0.8166.9-78.7-29.9000113.9Q125Q125-N130 PolarHBondContact NE2-OD1 3.41Å
131I70.6Confident80Confident124 Ų12463.3 Ų63.364%0.63633%0.331SS*.SBendtrans-81.1135.8176.2-57.9173.8000108.5S129S129-I131 PolarHBondContact O-N 3.29Å
132R77.9Confident79.7Confident113 Ų11362.4 Ų62.443%0.42633%0.331SS..EExtended strand (participates in β ladder)trans-81120.8170.2-69.5178.5170.4-125.7-10.3109.4E123 F124E123-R132 WeakPolarHBondContact OE2-CD 3.31Å; E123-R132 IonicContact OE2-CZ 2.81Å; E123-R132 IonicContact OE2-NH1 3.53Å; E123-R132 PolarHBondContact OE2-NH1 2.82Å; F124-R132 CarbonylContact O-C 3.59Å; F124-R132 WeakPolarHBondContact O-CA 3.41Å
133S81.1Confident78.8Confident18 Ų1865 Ų6513%0.12635%0.348CS..EExtended strand (participates in β ladder)trans-91.5149.5172-78.90000111E123 F124 E177E123-S133 WeakPolarHBondContact CA-O 3.36Å; F124-S133 VanDerWaalsContact CD1-O 3.31Å; F124-S133 WeakPolarHBondContact CD1-O 3.24Å; F124-S133 PolarHBondContact N-O 3.05Å; F124-S133 PolarHBondContact O-N 2.89Å; S133-E177 WeakPolarHBondContact CB-OE1 3.46Å; S133-E177 PolarHBondContact OG-OE1 3.29Å
134L86.2Confident77.4Confident74 Ų7470.8 Ų70.839%0.38738%0.376SS..EExtended strand (participates in β ladder)trans-92.4134.4170.5-67.8176.5000109.5E123 H178E123-L134 HydrophobicContact CG-CD2 3.68Å; L134-H178 HydrophobicContact CB-CB 4.41Å; L134-H178 PolarHBondContact O-N 2.9Å
135G88.2Confident75.6Confident1 Ų179.7 Ų79.71%0.0141%0.414CS..EExtended strand (participates in β ladder)trans-154.2166.6178.300000113.2I122 R176I122-G135 PolarHBondContact N-O 2.99Å; I122-G135 PolarHBondContact O-N 3.33Å; G135-R176 CarbonylContact C-O 3.52Å; G135-R176 WeakPolarHBondContact CA-O 3.27Å
136I89.3Confident73.6Confident49 Ų4984.8 Ų84.825%0.25144%0.435SS..EExtended strand (participates in β ladder)trans-110.6134.2177.1-60.4171.7000107.9E121 D138 R176E121-I136 HydrophobicContact CG-CG1 4.24Å; I136-D138 PolarHBondContact O-N 3.11Å; I136-R176 PolarHBondContact N-O 3.16Å; I136-R176 PolarHBondContact O-N 2.99Å
137I89.6Confident71.9Confident1 Ų189.9 Ų89.91%0.00547%0.466CS..EExtended strand (participates in β ladder)trans-71.3116.9175.2-61.7177.8000109.4F116 F117 G119 E120 I122 Y173F116-I137 HydrophobicContact CB-CD1 3.22Å; F116-I137 HydrophobicContact CG-CD1 4.18Å; F117-I137 WeakPolarHBondContact O-CB 3.45Å; G119-I137 PolarHBondContact N-O 2.89Å; E120-I137 PolarHBondContact O-N 2.74Å; I122-I137 HydrophobicContact CG1-CD1 4.09Å; I122-I137 HydrophobicContact CG1-CG1 3.78Å; I122-I137 HydrophobicContact CG2-CD1 4.14Å; I137-Y173 HydrophobicContact CD1-CD1 4.07Å; I137-Y173 HydrophobicContact CG2-CD1 4.16Å
138D86.6Confident70.1Confident47 Ų4793.5 Ų93.525%0.25147%0.466SS..EExtended strand (participates in β ladder)trans-85.4-46178.5-161.811000111.2V118 I136 C174 R176V118-D138 VanDerWaalsContact CG1-O 3.3Å; V118-D138 WeakPolarHBondContact CG1-O 3.24Å; I136-D138 PolarHBondContact O-N 3.11Å; D138-C174 PolarHBondContact N-O 2.81Å; D138-R176 IonicContact OD1-CZ 3.74Å; D138-R176 IonicContact OD1-NH2 2.83Å; D138-R176 PolarHBondContact OD1-NH2 3.08Å; D138-R176 IonicContact OD2-CZ 3.83Å; D138-R176 IonicContact OD2-NE 2.96Å; D138-R176 IonicContact OD2-NH2 3.67Å; D138-R176 PolarHBondContact OD2-NH2 3Å
139R88.2Confident68.5Low174 Ų17496.1 Ų96.166%0.65747%0.471SS*.EExtended strand (participates in β ladder)trans-152.1156.4-177.5-60.4-173.2-173.6178.92112.3C174R139-C174 HydrophobicContact CB-CB 4.19Å; R139-C174 PolarHBondContact N-O 3.3Å; R139-C174 WeakPolarHBondContact O-CB 3.36Å; R139-C174 PolarHBondContact O-N 2.85Å
140V89.4Confident66.8Low16 Ų16102.3 Ų102.310%0.09750%0.495CS..EExtended strand (participates in β ladder)trans-109136.2173.6-1720000109.4V118 L171 Y173 F250 L251V118-V140 HydrophobicContact CG2-CG2 4.18Å; V140-L171 HydrophobicContact CG1-CB 4.49Å; V140-L171 HydrophobicContact CG1-CD2 4.2Å; V140-Y173 HydrophobicContact CB-CD1 4.49Å; V140-Y173 HydrophobicContact CB-CE1 4.5Å; V140-Y173 HydrophobicContact CG1-CD1 4.22Å; V140-Y173 HydrophobicContact CG1-CE1 3.91Å; V140-Y173 HydrophobicContact CG2-CD1 3.86Å; V140-Y173 HydrophobicContact CG2-CE1 3.88Å; V140-F250 HydrophobicContact CG1-CE2 4.2Å; V140-F250 HydrophobicContact CG1-CZ 4.46Å; V140-F250 HydrophobicContact CG2-CD2 3.87Å; V140-F250 HydrophobicContact CG2-CE2 3.88Å; V140-L251 HydrophobicContact CB-CB 4.37Å; V140-L251 HydrophobicContact CG1-CB 4.3Å
141V85.6Confident64.9Low63 Ų63104.4 Ų104.438%0.38250%0.501SS..EExtended strand (participates in β ladder)trans-133140.6-173.8-172.80000110.2H172 L192V141-H172 PolarHBondContact N-O 2.84Å; V141-H172 PolarHBondContact O-N 3.17Å; V141-L192 HydrophobicContact CB-CD1 4.45Å; V141-L192 HydrophobicContact CG2-CD1 4.34Å
142V82.3Confident62.8Low54 Ų54104.1 Ų104.133%0.32751%0.51SS..EExtended strand (participates in β ladder)trans-89.1132.6172.6-175.30000109.6Q144 P166 L171 L251V142-Q144 PolarHBondContact O-N 2.94Å; V142-P166 HydrophobicContact CG2-CG 4.15Å; V142-L171 HydrophobicContact CG2-CD2 4.16Å; V142-L251 HydrophobicContact CG2-CD1 4.23Å; V142-L251 HydrophobicContact CG2-CD2 3.43Å; V142-L251 VanDerWaalsContact CG2-CD2 3.43Å; V142-L251 HydrophobicContact CG2-CG 4.48Å
143S69.4Low60.2Low54 Ų54102.5 Ų102.538%0.37853%0.528SS..  trans-65.4116.1-179.8-158.40000112.2K145 K170 H172S143-K145 PolarHBondContact O-N 3.27Å; S143-K170 PolarHBondContact N-O 2.93Å; S143-H172 PolarHBondContact OG-CE1 2.95Å
144Q57.2Low57.7Low166 Ų166109.6 Ų109.678%0.77656%0.563SS**  trans-94.666.7173.9-64.9-169.45.200111.6V142 K146V142-Q144 PolarHBondContact O-N 2.94Å; Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 3.11Å
145K48.8Very low54.9Low189 Ų189114.4 Ų114.482%0.82259%0.588SS**  trans-73.188164.4-79.7-166.9174.1-174.40109.6S143 T147S143-K145 PolarHBondContact O-N 3.27Å; K145-T147 PolarHBondContact O-N 3.28Å
146K36.1Very low52Low180 Ų180122.9 Ų122.978%0.78363%0.63SS**  trans-67.7101.8165.5-68.7-175.7177.2-174.30108.9Q144 Q148Q144-K146 VanDerWaalsContact C-N 3.28Å; Q144-K146 PolarHBondContact O-N 3.11Å; K146-Q148 PolarHBondContact O-N 2.89Å
147T31.5Very low49Very low137 Ų137123.7 Ų123.784%0.8465%0.65SS**  trans-72.9116.3156.938.70000107.9K145 F149K145-T147 PolarHBondContact O-N 3.28Å; T147-F149 PolarHBondContact O-N 3.21Å
148Q25.5Very low46.4Very low178 Ų178129.6 Ų129.683%0.83269%0.689SS**  trans-59.5120.1172.1-65.2161.3-37.400109.1K146K146-Q148 PolarHBondContact O-N 2.89Å
149F28.8Very low43.8Very low211 Ų211133.1 Ų133.193%0.92571%0.707SS**  trans-170.788.4146.3-96.7-64.2000106.8T147T147-F149 PolarHBondContact O-N 3.21Å
150E22.8Very low41.2Very low166 Ų166131.4 Ų131.478%0.77672%0.716SS**  trans-79166.9161.1-67.1177.3161.200108.9
151H27.3Very low38.7Very low178 Ų178138.7 Ų138.782%0.82475%0.749SS**  trans71.6104-171.3-40.9-70.8000113.4
152S26.4Very low36.3Very low118 Ų118144.9 Ų144.983%0.82577%0.771SS**  -153.3148.252.7-69.90000112L154S152-L154 PolarHBondContact O-N 2.87Å
153G23.5Very low34.7Very low78 Ų78147.5 Ų147.580%0.80479%0.789SS**  trans-74.2120.1-175.300000113.7
154L29.3Very low33.9Very low167 Ų167149.3 Ų149.387%0.87481%0.807SS**  trans-127.3143.1152.5-73.6177.2000108.7S152S152-L154 PolarHBondContact O-N 2.87Å
155L27.1Very low34.5Very low175 Ų175143 Ų14392%0.91678%0.777SS**  trans-53.1136.2-166.5-95.763.2000114.1G157L155-G157 PolarHBondContact O-N 3.2Å
156M26.8Very low35.5Very low180 Ų180135.6 Ų135.689%0.88775%0.749SS**  trans-71.8108.7169.4-69.7-75.1-70.600110.7
157G27.1Very low37.4Very low65 Ų65131 Ų13167%0.6773%0.732SS**  trans-88.3117.7160.700000110.3L155 D159L155-G157 PolarHBondContact O-N 3.2Å; G157-D159 PolarHBondContact O-N 2.77Å
158P33.9Very low39.6Very low126 Ų126125 Ų12582%0.81870%0.697SS**  trans-92.987.1-169.735.4-34.2000113
159D33Very low42.1Very low120 Ų120123.5 Ų123.564%0.64269%0.694SS**  trans-151.916162.5-145.83.2000116G157 Q161G157-D159 PolarHBondContact O-N 2.77Å; D159-Q161 PolarHBondContact O-N 3.1Å
160V33.8Very low44.7Very low139 Ų139119.5 Ų119.584%0.84268%0.676SS**  trans-76.393169.3-175.70000108.2K162V160-K162 PolarHBondContact O-N 2.76Å
161Q35.3Very low47.8Very low169 Ų169111.6 Ų111.679%0.7964%0.639SS**  trans-50.7106.6175.7-65-177.913.100110D159D159-Q161 PolarHBondContact O-N 3.1Å
162K37.1Very low50.8Low193 Ų193105 Ų10584%0.83961%0.609SS**  trans-57.5132.2171-90.5173.4175.4167.80107.8V160 A164V160-K162 PolarHBondContact O-N 2.76Å; K162-A164 PolarHBondContact O-N 3.3Å
163P46.8Very low53.9Low109 Ų10999.4 Ų99.471%0.70857%0.57SS**  trans-55.5129.4174.823.1-32.9000108.9F165P163-F165 PolarHBondContact O-N 3.22Å
164A54.3Low57Low92 Ų9296.8 Ų96.876%0.7654%0.539SS*.SBendtrans-57.7-17-167.500000114.5K162K162-A164 PolarHBondContact O-N 3.3Å
165F68.9Low59.9Low32 Ų3288.8 Ų88.814%0.1450%0.497CS..SBendtrans-146.1145.6171.4-145.5-95.6000111.5P163 F250 L251 P255P163-F165 PolarHBondContact O-N 3.22Å; F165-F250 HydrophobicContact CE1-CD1 4.24Å; F165-F250 AromaticContact CE1-CE1 3.53Å; F165-F250 HydrophobicContact CE1-CE1 3.53Å; F165-F250 HydrophobicContact CE1-CZ 4.47Å; F165-F250 AromaticContact CZ-CD1 3.77Å; F165-F250 HydrophobicContact CZ-CD1 3.77Å; F165-F250 AromaticContact CZ-CE1 3.54Å; F165-F250 HydrophobicContact CZ-CE1 3.54Å; F165-L251 HydrophobicContact CE1-CD2 4.42Å; F165-L251 HydrophobicContact CZ-CB 4.13Å; F165-L251 HydrophobicContact CZ-CD2 4.19Å; F165-P255 HydrophobicContact CD2-CG 3.76Å; F165-P255 HydrophobicContact CE2-CG 3.94Å
166P70.8Confident62.7Low35 Ų3585.3 Ų85.323%0.22747%0.471CS..  trans-59.1142.3171.322.8-34.2000112.5V142 L171 L251V142-P166 HydrophobicContact CG2-CG 4.15Å; P166-L171 HydrophobicContact CB-CD2 4.36Å; P166-L171 HydrophobicContact CG-CD2 3.99Å; P166-L251 HydrophobicContact CG-CD2 3.78Å
167D74.6Confident65.3Low82 Ų8281.4 Ų81.444%0.43945%0.451SS..  trans-58.5143.5171.1-179.323.9000111L169 K170D167-L169 PolarHBondContact O-N 3.45Å; D167-K170 HydrophobicContact CB-CD 4.44Å; D167-K170 HydrophobicContact CB-CG 4.45Å; D167-K170 WeakPolarHBondContact O-CB 2.95Å; D167-K170 PolarHBondContact O-N 2.95Å
168A77.5Confident67.4Low12 Ų1283 Ų8310%0.09944%0.441CS..G310 helixtrans-58.3-33.3-175.400000112.2R115 K170 L171R115-A168 HydrophobicContact CG-CB 4.33Å; A168-K170 PolarHBondContact O-N 2.92Å; A168-L171 WeakPolarHBondContact O-CB 3.37Å; A168-L171 PolarHBondContact O-N 2.69Å
169L79.7Confident68.5Low147 Ų14783.4 Ų83.477%0.7743%0.43SS*.G310 helixtrans-67.2-16176.8-61.3176.8000114D167D167-L169 PolarHBondContact O-N 3.45Å
170K83.5Confident69.3Low126 Ų12686.7 Ų86.755%0.54844%0.438SS..G310 helixtrans-90.5-7.2177.1-61.9-179.5179.9178.70112.9S143 D167 A168S143-K170 PolarHBondContact N-O 2.93Å; D167-K170 HydrophobicContact CB-CD 4.44Å; D167-K170 HydrophobicContact CB-CG 4.45Å; D167-K170 WeakPolarHBondContact O-CB 2.95Å; D167-K170 PolarHBondContact O-N 2.95Å; A168-K170 PolarHBondContact O-N 2.92Å
171L87.7Confident69.7Low1 Ų185.9 Ų85.91%0.00544%0.439CS..EExtended strand (participates in β ladder)trans-87.9134.6-177.7-59.8179.6000112.1R115 V140 V142 P166 A168 Y173 G195 F250 L251R115-L171 HydrophobicContact CG-CD1 4.24Å; V140-L171 HydrophobicContact CG1-CB 4.49Å; V140-L171 HydrophobicContact CG1-CD2 4.2Å; V142-L171 HydrophobicContact CG2-CD2 4.16Å; P166-L171 HydrophobicContact CB-CD2 4.36Å; P166-L171 HydrophobicContact CG-CD2 3.99Å; A168-L171 WeakPolarHBondContact O-CB 3.37Å; A168-L171 PolarHBondContact O-N 2.69Å; L171-Y173 HydrophobicContact CB-CE2 4.01Å; L171-G195 PolarHBondContact O-N 3.45Å; L171-F250 HydrophobicContact CD1-CZ 3.88Å; L171-L251 HydrophobicContact CD2-CD2 4.03Å
172H88.8Confident70Confident40 Ų4083.9 Ų83.919%0.18543%0.434CS..EExtended strand (participates in β ladder)trans-118.6149.7169.5-6655.6000108.6V141 S143 L192V141-H172 PolarHBondContact N-O 2.84Å; V141-H172 PolarHBondContact O-N 3.17Å; S143-H172 PolarHBondContact OG-CE1 2.95Å; H172-L192 HydrophobicContact CB-CD1 3.77Å; H172-L192 HydrophobicContact CB-CD2 4.42Å; H172-L192 HydrophobicContact CB-CG 4.03Å
173Y91.9Very high70.1Confident0 Ų079.5 Ų79.50%043%0.427CS..EExtended strand (participates in β ladder)trans-121.6127.9-173.2-59.8-92.8000108.8F116 I137 V140 L171 V193 I198 F250F116-Y173 HydrophobicContact CB-CD1 4.31Å; F116-Y173 HydrophobicContact CB-CE1 3.96Å; F116-Y173 HydrophobicContact CD2-CE1 4.26Å; F116-Y173 HydrophobicContact CD2-CE2 4.11Å; F116-Y173 AromaticContact CD2-CZ 3.91Å; F116-Y173 WeakPolarHBondContact O-CE1 3.4Å; I137-Y173 HydrophobicContact CD1-CD1 4.07Å; I137-Y173 HydrophobicContact CG2-CD1 4.16Å; V140-Y173 HydrophobicContact CB-CD1 4.49Å; V140-Y173 HydrophobicContact CB-CE1 4.5Å; V140-Y173 HydrophobicContact CG1-CD1 4.22Å; V140-Y173 HydrophobicContact CG1-CE1 3.91Å; V140-Y173 HydrophobicContact CG2-CD1 3.86Å; V140-Y173 HydrophobicContact CG2-CE1 3.88Å; L171-Y173 HydrophobicContact CB-CE2 4.01Å; Y173-V193 PolarHBondContact N-O 2.92Å; Y173-V193 PolarHBondContact O-N 3.48Å; Y173-I198 HydrophobicContact CD2-CD1 3.63Å; Y173-I198 HydrophobicContact CG-CD1 3.75Å; Y173-F250 HydrophobicContact CE1-CE2 4.39Å
174C88.9Confident69.9Low22 Ų2281.2 Ų81.215%0.14943%0.429CS..EExtended strand (participates in β ladder)trans-83.8111172.9-169.40000107.5D138 R139 S190D138-C174 PolarHBondContact N-O 2.81Å; R139-C174 HydrophobicContact CB-CB 4.19Å; R139-C174 PolarHBondContact N-O 3.3Å; R139-C174 WeakPolarHBondContact O-CB 3.36Å; R139-C174 PolarHBondContact O-N 2.85Å; C174-S190 VanDerWaalsContact SG-CB 3.52Å
175V90.2Very high69.4Low0 Ų084.5 Ų84.50%043%0.434CS..EExtended strand (participates in β ladder)trans-109.8128.7-173.7-175.60000109.8I122 F124 S190 V191 V193 I198I122-V175 HydrophobicContact CD1-CG1 3.73Å; I122-V175 HydrophobicContact CD1-CG2 4.17Å; F124-V175 HydrophobicContact CD1-CG1 3.67Å; F124-V175 HydrophobicContact CE1-CG1 3.59Å; F124-V175 HydrophobicContact CG-CG1 4.25Å; F124-V175 HydrophobicContact CZ-CG1 4.1Å; V175-S190 CarbonylContact O-C 3.51Å; V175-S190 VanDerWaalsContact O-CA 3.28Å; V175-S190 WeakPolarHBondContact O-CA 3.49Å; V175-V191 PolarHBondContact N-O 2.77Å; V175-V191 PolarHBondContact O-N 2.86Å; V175-V193 HydrophobicContact CB-CG2 4.36Å; V175-V193 HydrophobicContact CG2-CB 4.18Å; V175-V193 HydrophobicContact CG2-CG2 4.01Å; V175-I198 HydrophobicContact CG2-CD1 4.32Å
176R86.8Confident68.2Low101 Ų10193.2 Ų93.238%0.38147%0.466SS..EExtended strand (participates in β ladder)trans-97.3118.7173.6-170.9-172.6-59.5138.72.4109.1G135 I136 D138 A188G135-R176 CarbonylContact C-O 3.52Å; G135-R176 WeakPolarHBondContact CA-O 3.27Å; I136-R176 PolarHBondContact N-O 3.16Å; I136-R176 PolarHBondContact O-N 2.99Å; D138-R176 IonicContact OD1-CZ 3.74Å; D138-R176 IonicContact OD1-NH2 2.83Å; D138-R176 PolarHBondContact OD1-NH2 3.08Å; D138-R176 IonicContact OD2-CZ 3.83Å; D138-R176 IonicContact OD2-NE 2.96Å; D138-R176 IonicContact OD2-NH2 3.67Å; D138-R176 PolarHBondContact OD2-NH2 3Å; R176-A188 HydrophobicContact CG-CB 4.31Å
177E81.2Confident67.1Low99 Ų9997.7 Ų97.746%0.46349%0.492SS..EExtended strand (participates in β ladder)trans-68.9143.6-179.1-168.1170.7-143.200112.3F124 S133 K179F124-E177 HydrophobicContact CZ-CB 4.36Å; F124-E177 HydrophobicContact CZ-CG 4.41Å; S133-E177 WeakPolarHBondContact CB-OE1 3.46Å; S133-E177 PolarHBondContact OG-OE1 3.29Å; E177-K179 PolarHBondContact O-N 3.49Å
178H70Confident65.8Low98 Ų9896.3 Ų96.345%0.45449%0.492SS..  trans-73112.4176.4-117.4-86.5000110.6L134 K180L134-H178 HydrophobicContact CB-CB 4.41Å; L134-H178 PolarHBondContact O-N 2.9Å; H178-K180 PolarHBondContact O-N 3.14Å
179K58Low65.2Low135 Ų135100.3 Ų100.359%0.58752%0.519SS*.  trans-64.5126.7175.2-72.8-167.9175.1-172.50111.2E177 R186E177-K179 PolarHBondContact O-N 3.49Å; K179-R186 PolarHBondContact NZ-O 2.97Å
180K50.2Low65.1Low188 Ų18896.2 Ų96.282%0.81750%0.503SS*.  trans-68.3154.6156.5-62.1178.7-176.7176.70108.6H178 D182H178-K180 PolarHBondContact O-N 3.14Å; K180-D182 PolarHBondContact O-N 2.82Å
181S42.3Very low65.1Low122 Ų12292.7 Ų92.785%0.85349%0.492SS*.SBendtrans-73.521.2-158.450.60000117.4
182D41Very low65Low128 Ų12897.5 Ų97.568%0.68452%0.517SS*.  trans-104.9121.6-171.7-61.3-40.9000113.3K180K180-D182 PolarHBondContact O-N 2.82Å
183S39Very low64.8Low100 Ų10095.8 Ų95.870%0.69951%0.509SS*.  trans43.1121.115061.40000120.9
184I43.3Very low64.5Low145 Ų14598 Ų9874%0.74452%0.524SS*.SBendtrans67.699.7142.9-53.3163.7000116.7R186I184-R186 VanDerWaalsContact C-N 3.25Å; I184-R186 PolarHBondContact O-N 3.16Å
185N42.2Very low64.1Low161 Ų16197.8 Ų97.886%0.86153%0.526SS*.  trans40.716.8137.7-70.22.3000122.2V187N185-V187 PolarHBondContact O-N 2.9Å; N185-V187 VanDerWaalsContact O-N 3.17Å
186R45.1Very low63.7Low215 Ų215102.6 Ų102.681%0.81156%0.559SS**  trans-63.4120.2163.1-69.9-173.2178.7-179.20.5108.9K179 I184 A188K179-R186 PolarHBondContact NZ-O 2.97Å; I184-R186 VanDerWaalsContact C-N 3.25Å; I184-R186 PolarHBondContact O-N 3.16Å; R186-A188 PolarHBondContact O-N 2.95Å
187V47.4Very low63.6Low130 Ų130101 Ų10179%0.78856%0.557SS**  trans-46.4134.8171.2178.40000108.1N185 S189N185-V187 PolarHBondContact O-N 2.9Å; N185-V187 VanDerWaalsContact O-N 3.17Å; V187-S189 PolarHBondContact O-N 2.9Å
188A47.7Very low63.9Low53 Ų5396.5 Ų96.544%0.43854%0.536SS..  trans-68.694.9-175.900000109.9R176 R186 S190R176-A188 HydrophobicContact CG-CB 4.31Å; R186-A188 PolarHBondContact O-N 2.95Å; A188-S190 PolarHBondContact O-N 3.35Å
189S64.6Low64.6Low96 Ų9694.7 Ų94.767%0.67153%0.53SS*.  trans-59.7106.4176.7-59.80000109.9V187V187-S189 PolarHBondContact O-N 2.9Å
190S78Confident66Low61 Ų6189.4 Ų89.443%0.42751%0.507SS..EExtended strand (participates in β ladder)trans-87.6126.3169.960.20000109.5C174 V175 A188C174-S190 VanDerWaalsContact SG-CB 3.52Å; V175-S190 CarbonylContact O-C 3.51Å; V175-S190 VanDerWaalsContact O-CA 3.28Å; V175-S190 WeakPolarHBondContact O-CA 3.49Å; A188-S190 PolarHBondContact O-N 3.35Å
191V83.5Confident67.2Low52 Ų5286.4 Ų86.432%0.31549%0.49SS..EExtended strand (participates in β ladder)trans-97.8137.6-179.7-1760000109.3V175 V193V175-V191 PolarHBondContact N-O 2.77Å; V175-V191 PolarHBondContact O-N 2.86Å; V191-V193 HydrophobicContact CB-CG2 4.14Å; V191-V193 HydrophobicContact CG1-CG2 3.79Å
192L84.8Confident68.9Low101 Ų10183.1 Ų83.153%0.52947%0.467SS..EExtended strand (participates in β ladder)trans-90.1118.7173.3-172.268.8000110V141 H172V141-L192 HydrophobicContact CB-CD1 4.45Å; V141-L192 HydrophobicContact CG2-CD1 4.34Å; H172-L192 HydrophobicContact CB-CD1 3.77Å; H172-L192 HydrophobicContact CB-CD2 4.42Å; H172-L192 HydrophobicContact CB-CG 4.03Å
193V85.5Confident70.2Confident4 Ų485.6 Ų85.62%0.02447%0.467CS..EExtended strand (participates in β ladder)trans-127.2126.5-165.7-176.70000110F124 Y173 V175 V191 I197 I198F124-V193 HydrophobicContact CB-CG1 4.3Å; F124-V193 HydrophobicContact CD2-CG2 3.98Å; Y173-V193 PolarHBondContact N-O 2.92Å; Y173-V193 PolarHBondContact O-N 3.48Å; V175-V193 HydrophobicContact CB-CG2 4.36Å; V175-V193 HydrophobicContact CG2-CB 4.18Å; V175-V193 HydrophobicContact CG2-CG2 4.01Å; V191-V193 HydrophobicContact CB-CG2 4.14Å; V191-V193 HydrophobicContact CG1-CG2 3.79Å; V193-I197 HydrophobicContact CG1-CD1 3.77Å; V193-I197 HydrophobicContact CG1-CG1 3.51Å; V193-I198 HydrophobicContact CB-CD1 4.15Å; V193-I198 HydrophobicContact CB-CG1 4.41Å; V193-I198 HydrophobicContact CG1-CD1 3.87Å; V193-I198 HydrophobicContact CG1-CG1 3.61Å
194P85.8Confident71.9Confident46 Ų4685.4 Ų85.430%0.29946%0.458SS..EExtended strand (participates in β ladder)trans-62.8145.5171.5-22.433.6000112.3S196 I197P194-S196 PolarHBondContact O-N 3.4Å; P194-I197 WeakPolarHBondContact O-CG1 3.34Å; P194-I197 PolarHBondContact O-N 2.87Å
195G79.9Confident73.8Confident19 Ų1979 Ų7920%0.19643%0.425CS..G310 helixtrans-59.3-20.4-179.300000115.5L171 I197L171-G195 PolarHBondContact O-N 3.45Å; G195-I197 VanDerWaalsContact C-N 3.28Å; G195-I197 PolarHBondContact O-N 3.18Å
196S81.7Confident75.8Confident100 Ų10072.5 Ų72.570%0.69939%0.39SS*.G310 helixtrans-70.9-15.8-179.851.10000115P194P194-S196 PolarHBondContact O-N 3.4Å
197I84.5Confident77.8Confident67 Ų6764.1 Ų64.134%0.34437%0.367SS..G310 helixtrans-115.516.8-179.759.7174000113Q125 V193 P194 G195Q125-I197 PolarHBondContact N-O 3.4Å; V193-I197 HydrophobicContact CG1-CD1 3.77Å; V193-I197 HydrophobicContact CG1-CG1 3.51Å; P194-I197 WeakPolarHBondContact O-CG1 3.34Å; P194-I197 PolarHBondContact O-N 2.87Å; G195-I197 VanDerWaalsContact C-N 3.28Å; G195-I197 PolarHBondContact O-N 3.18Å
198I87.1Confident79.7Confident5 Ų562.9 Ų62.93%0.02635%0.348CS..EExtended strand (participates in β ladder)trans-109.2139.9176.3-59.9177.1000109.2F116 I122 E123 F124 Y173 V175 V193F116-I198 HydrophobicContact CD1-CG2 4.01Å; F116-I198 HydrophobicContact CD2-CB 4.29Å; F116-I198 HydrophobicContact CD2-CG2 4.01Å; F116-I198 HydrophobicContact CE1-CG2 3.87Å; F116-I198 HydrophobicContact CE2-CB 3.84Å; F116-I198 HydrophobicContact CE2-CG2 3.88Å; F116-I198 HydrophobicContact CG-CG2 4.09Å; F116-I198 HydrophobicContact CZ-CB 3.97Å; F116-I198 HydrophobicContact CZ-CG2 3.81Å; F116-I198 WeakPolarHBondContact CZ-O 3.37Å; I122-I198 HydrophobicContact CB-CG2 3.72Å; I122-I198 HydrophobicContact CD1-CG2 4Å; I122-I198 HydrophobicContact CG1-CG2 3.73Å; I122-I198 HydrophobicContact CG2-CG2 3.98Å; E123-I198 WeakPolarHBondContact O-CA 3.35Å; F124-I198 HydrophobicContact CB-CG1 4.33Å; Y173-I198 HydrophobicContact CD2-CD1 3.63Å; Y173-I198 HydrophobicContact CG-CD1 3.75Å; V175-I198 HydrophobicContact CG2-CD1 4.32Å; V193-I198 HydrophobicContact CB-CD1 4.15Å; V193-I198 HydrophobicContact CB-CG1 4.41Å; V193-I198 HydrophobicContact CG1-CD1 3.87Å; V193-I198 HydrophobicContact CG1-CG1 3.61Å
199N85.1Confident81.5Confident61 Ų6165 Ų6533%0.32635%0.352SS..EExtended strand (participates in β ladder)trans-136.7145.8175.4-74.3-83.6000111.4E123E123-N199 PolarHBondContact N-O 3.44Å; E123-N199 PolarHBondContact O-N 2.83Å
200R87.2Confident82.5Confident24 Ų2464 Ų649%0.09134%0.337CS..EExtended strand (participates in β ladder)trans-72.7138.5166-72.2169.3172.6101.114.3109.7A112 R115 F116 E120 S202A112-R200 PolarHBondContact O-NH1 2.98Å; R115-R200 PolarHBondContact O-NH1 2.87Å; R115-R200 PolarHBondContact O-NH2 2.91Å; F116-R200 HydrophobicContact CD1-CG 4.24Å; F116-R200 HydrophobicContact CE1-CG 4.12Å; E120-R200 IonicContact OE1-CZ 2.79Å; E120-R200 IonicContact OE1-NE 2.73Å; E120-R200 PolarHBondContact OE1-NE 3.16Å; E120-R200 IonicContact OE1-NH2 3.64Å; E120-R200 PolarHBondContact OE1-NH2 3.43Å; E120-R200 VanDerWaalsContact OE1-NH2 3.14Å; E120-R200 IonicContact OE2-CZ 3.67Å; E120-R200 IonicContact OE2-NE 3.85Å; E120-R200 IonicContact OE2-NH2 3.88Å; E120-R200 PolarHBondContact OE2-NH2 3Å; R200-S202 PolarHBondContact O-N 2.8Å
201R76.6Confident83.1Confident124 Ų12461.2 Ų61.247%0.46832%0.317SS..SBendtrans-53.3-38.3176.9-164.7179.5-65.5146.77.6111.8E121E121-R201 IonicContact OE2-CZ 3.83Å; E121-R201 IonicContact OE2-NH1 3.8Å; E121-R201 PolarHBondContact OE2-NH1 3.49Å; E121-R201 IonicContact OE2-NH2 3.89Å; E121-R201 PolarHBondContact OE2-NH2 3.09Å
202S76.5Confident83.4Confident53 Ų5361.7 Ų61.737%0.37132%0.315SS..SBendtrans-101.886.8175.845.60000111.7R200 N204 I205R200-S202 PolarHBondContact O-N 2.8Å; S202-N204 PolarHBondContact O-N 2.73Å; S202-I205 WeakPolarHBondContact O-CG2 3.23Å; S202-I205 PolarHBondContact O-N 3.07Å; S202-I205 WeakPolarHBondContact OG-CB 3.34Å
203R67.9Low83.5Confident181 Ų18158.3 Ų58.368%0.68330%0.296SS*.THydrogen-bonded Turntrans-49.1-27.8-175.8-62.8-174.5-171.6169.65.1115.4
204N75Confident83.7Confident95 Ų9558.3 Ų58.351%0.50830%0.296SS..THydrogen-bonded Turntrans-106.612-176.9-62.3-27.4000114.4S202 L206 A207 H210S202-N204 PolarHBondContact O-N 2.73Å; N204-L206 VanDerWaalsContact C-N 3.26Å; N204-L206 PolarHBondContact O-N 3.47Å; N204-A207 VanDerWaalsContact O-CB 3.26Å; N204-A207 WeakPolarHBondContact O-CB 3.3Å; N204-A207 PolarHBondContact O-N 2.95Å; N204-A207 VanDerWaalsContact O-N 3.09Å; N204-H210 PolarHBondContact O-CE1 3.04Å; N204-H210 PolarHBondContact O-ND1 3.33Å
205I82.9Confident83.9Confident11 Ų1156.1 Ų56.16%0.05628%0.282CS..THydrogen-bonded Turntrans-63.7-31.6-178-161.767.9000112.7A80 F81 L85 S202 A207 H210A80-I205 HydrophobicContact CB-CD1 3.97Å; A80-I205 VanDerWaalsContact O-CD1 3.27Å; A80-I205 WeakPolarHBondContact O-CD1 3.48Å; F81-I205 HydrophobicContact CD1-CD1 4.34Å; F81-I205 HydrophobicContact CD1-CG1 3.91Å; F81-I205 HydrophobicContact CD2-CD1 4.11Å; F81-I205 HydrophobicContact CE1-CD1 4.38Å; F81-I205 HydrophobicContact CE1-CG1 3.96Å; F81-I205 HydrophobicContact CE2-CD1 4.15Å; F81-I205 HydrophobicContact CG-CD1 4.2Å; F81-I205 HydrophobicContact CG-CG1 4.23Å; F81-I205 HydrophobicContact CZ-CD1 4.28Å; F81-I205 HydrophobicContact CZ-CG1 4.31Å; L85-I205 HydrophobicContact CD2-CG2 4.08Å; S202-I205 WeakPolarHBondContact O-CG2 3.23Å; S202-I205 PolarHBondContact O-N 3.07Å; S202-I205 WeakPolarHBondContact OG-CB 3.34Å; I205-A207 VanDerWaalsContact C-N 3.31Å; I205-A207 PolarHBondContact O-N 3.43Å; I205-H210 WeakPolarHBondContact O-CB 3.36Å
206L85.1Confident84.1Confident24 Ų2462.1 Ų62.113%0.12630%0.298CS..THydrogen-bonded Turntrans-9020.2174.8-62.5-177.4000113.8L85 L89 A112 N204 I211L85-L206 HydrophobicContact CD1-CD2 4.44Å; L85-L206 HydrophobicContact CD2-CD2 4.3Å; L89-L206 HydrophobicContact CD1-CD2 4.32Å; A112-L206 HydrophobicContact CB-CD1 3.83Å; A112-L206 WeakPolarHBondContact O-CD1 3.25Å; N204-L206 VanDerWaalsContact C-N 3.26Å; N204-L206 PolarHBondContact O-N 3.47Å; L206-I211 HydrophobicContact CB-CD1 4.22Å; L206-I211 HydrophobicContact CD2-CD1 4.35Å; L206-I211 HydrophobicContact CD2-CG1 4.47Å; L206-I211 VanDerWaalsContact O-CD1 3.23Å; L206-I211 WeakPolarHBondContact O-CD1 3.37Å
207A86.6Confident84.2Confident40 Ų4058.1 Ų58.133%0.33127%0.269SS..  trans-61142.1169.200000110.4N204 I205 D209 H210 I211N204-A207 VanDerWaalsContact O-CB 3.26Å; N204-A207 WeakPolarHBondContact O-CB 3.3Å; N204-A207 PolarHBondContact O-N 2.95Å; N204-A207 VanDerWaalsContact O-N 3.09Å; I205-A207 VanDerWaalsContact C-N 3.31Å; I205-A207 PolarHBondContact O-N 3.43Å; A207-D209 PolarHBondContact O-N 3.33Å; A207-H210 WeakPolarHBondContact O-CB 3.42Å; A207-H210 PolarHBondContact O-N 2.6Å; A207-I211 PolarHBondContact O-N 2.96Å
208R87.8Confident84.3Confident103 Ų10355.2 Ų55.239%0.38925%0.254SS..Hα-helixtrans-49.1-41.1-176.2-74.4-178.6168.297.94.6113.1V105 E106 I211 K212V105-R208 HydrophobicContact CG1-CB 4.2Å; V105-R208 HydrophobicContact CG1-CG 4.11Å; E106-R208 IonicContact OE1-CZ 3.29Å; E106-R208 VanDerWaalsContact OE1-CZ 3.3Å; E106-R208 IonicContact OE1-NE 2.85Å; E106-R208 PolarHBondContact OE1-NE 2.88Å; E106-R208 IonicContact OE1-NH2 2.85Å; E106-R208 PolarHBondContact OE1-NH2 3.49Å; E106-R208 IonicContact OE2-CZ 3.79Å; E106-R208 IonicContact OE2-NE 3Å; E106-R208 IonicContact OE2-NH2 2.83Å; E106-R208 PolarHBondContact OE2-NH2 2.91Å; R208-I211 PolarHBondContact O-N 3.19Å; R208-K212 VanDerWaalsContact O-CG 3.28Å; R208-K212 WeakPolarHBondContact O-CG 3.37Å; R208-K212 PolarHBondContact O-N 3.09Å
209D85.5Confident84.4Confident97 Ų9755.3 Ų55.352%0.51926%0.255SS..Hα-helixtrans-77.1-30.8-178-61.7-44.5000113.5A207 K212 F213A207-D209 PolarHBondContact O-N 3.33Å; D209-K212 PolarHBondContact O-N 3.2Å; D209-K212 WeakPolarHBondContact OD1-CD 3.39Å; D209-K212 WeakPolarHBondContact OD1-CE 3.41Å; D209-K212 IonicContact OD1-NZ 3.24Å; D209-K212 PolarHBondContact OD1-NZ 3.45Å; D209-F213 VanDerWaalsContact O-CB 3.27Å; D209-F213 WeakPolarHBondContact O-CB 3.49Å; D209-F213 PolarHBondContact O-N 3.3Å
210H86.5Confident84.4Confident77 Ų7755.8 Ų55.836%0.35626%0.255SS..Hα-helixtrans-66.9-38.1169.5-63.8165.7000111.3F81 N204 I205 A207 F213 F214F81-H210 HydrophobicContact CZ-CB 4.15Å; N204-H210 PolarHBondContact O-CE1 3.04Å; N204-H210 PolarHBondContact O-ND1 3.33Å; I205-H210 WeakPolarHBondContact O-CB 3.36Å; A207-H210 WeakPolarHBondContact O-CB 3.42Å; A207-H210 PolarHBondContact O-N 2.6Å; H210-F213 WeakPolarHBondContact O-CB 3.28Å; H210-F213 PolarHBondContact O-N 3.44Å; H210-F214 WeakPolarHBondContact O-CB 3.47Å; H210-F214 PolarHBondContact O-N 2.86Å
211I89.2Confident84.3Confident2 Ų259.5 Ų59.51%0.0128%0.277CS..Hα-helixtrans-67.6-43.8174.3-65.1162.1000110.9V105 I108 C109 L206 A207 R208 F213 F214 I215V105-I211 HydrophobicContact CG1-CG2 4.41Å; V105-I211 HydrophobicContact CG2-CG2 4.16Å; I108-I211 HydrophobicContact CB-CG2 4.25Å; I108-I211 HydrophobicContact CD1-CG2 3.97Å; I108-I211 HydrophobicContact CG2-CD1 3.9Å; I108-I211 HydrophobicContact CG2-CG1 4.29Å; I108-I211 HydrophobicContact CG2-CG2 3.94Å; C109-I211 WeakPolarHBondContact SG-CD1 3.2Å; L206-I211 HydrophobicContact CB-CD1 4.22Å; L206-I211 HydrophobicContact CD2-CD1 4.35Å; L206-I211 HydrophobicContact CD2-CG1 4.47Å; L206-I211 VanDerWaalsContact O-CD1 3.23Å; L206-I211 WeakPolarHBondContact O-CD1 3.37Å; A207-I211 PolarHBondContact O-N 2.96Å; R208-I211 PolarHBondContact O-N 3.19Å; I211-F213 VanDerWaalsContact C-N 3.3Å; I211-F213 PolarHBondContact O-N 3.29Å; I211-F214 PolarHBondContact O-N 3.07Å; I211-I215 HydrophobicContact CG2-CD1 3.77Å; I211-I215 HydrophobicContact CG2-CG1 4.39Å; I211-I215 VanDerWaalsContact O-CG1 3.28Å; I211-I215 WeakPolarHBondContact O-CG1 3.11Å; I211-I215 PolarHBondContact O-N 2.83Å
212K89.9Confident84.4Confident61 Ų6158.7 Ų58.727%0.26527%0.273SS..Hα-helixtrans-57.9-43.3172.2-71.2169.4-157.3163.70111.3L101 V105 R208 D209 R216L101-K212 HydrophobicContact CD2-CG 4.27Å; V105-K212 HydrophobicContact CG2-CG 3.75Å; R208-K212 VanDerWaalsContact O-CG 3.28Å; R208-K212 WeakPolarHBondContact O-CG 3.37Å; R208-K212 PolarHBondContact O-N 3.09Å; D209-K212 PolarHBondContact O-N 3.2Å; D209-K212 WeakPolarHBondContact OD1-CD 3.39Å; D209-K212 WeakPolarHBondContact OD1-CE 3.41Å; D209-K212 IonicContact OD1-NZ 3.24Å; D209-K212 PolarHBondContact OD1-NZ 3.45Å; K212-R216 WeakPolarHBondContact O-CB 3.44Å; K212-R216 VanDerWaalsContact O-CG 3.24Å; K212-R216 WeakPolarHBondContact O-CG 3.31Å; K212-R216 PolarHBondContact O-N 2.91Å
213F86.6Confident84.7Confident30 Ų3064 Ų6413%0.13230%0.298CS..Hα-helixtrans-61.6-49.6176.5-179.7-84.4000110.8D74 Q77 L78 D209 H210 I211 I215 R216 H217D74-F213 HydrophobicContact CB-CZ 4.01Å; D74-F213 WeakPolarHBondContact OD1-CE2 3.41Å; Q77-F213 HydrophobicContact CB-CD1 4.08Å; Q77-F213 HydrophobicContact CB-CE1 3.4Å; Q77-F213 HydrophobicContact CB-CE2 4.44Å; Q77-F213 HydrophobicContact CB-CZ 3.63Å; Q77-F213 HydrophobicContact CG-CE1 4.42Å; Q77-F213 HydrophobicContact CG-CZ 4.29Å; L78-F213 HydrophobicContact CD2-CD1 4.35Å; L78-F213 HydrophobicContact CD2-CE1 3.89Å; L78-F213 HydrophobicContact CG-CE1 4Å; D209-F213 VanDerWaalsContact O-CB 3.27Å; D209-F213 WeakPolarHBondContact O-CB 3.49Å; D209-F213 PolarHBondContact O-N 3.3Å; H210-F213 WeakPolarHBondContact O-CB 3.28Å; H210-F213 PolarHBondContact O-N 3.44Å; I211-F213 VanDerWaalsContact C-N 3.3Å; I211-F213 PolarHBondContact O-N 3.29Å; F213-I215 PolarHBondContact O-N 3.07Å; F213-R216 PolarHBondContact O-N 3.23Å; F213-H217 AromaticContact CD1-ND1 3.64Å; F213-H217 AromaticContact CD2-CE1 3.44Å; F213-H217 VanDerWaalsContact CD2-CE1 3.44Å; F213-H217 WeakPolarHBondContact CD2-CE1 3.5Å; F213-H217 AromaticContact CD2-ND1 3.72Å; F213-H217 AromaticContact CE1-CE1 3.9Å; F213-H217 AromaticContact CE1-ND1 3.47Å; F213-H217 WeakPolarHBondContact CE1-ND1 3.32Å; F213-H217 AromaticContact CE2-CE1 3.12Å; F213-H217 WeakPolarHBondContact CE2-CE1 3.39Å; F213-H217 AromaticContact CE2-ND1 3.57Å; F213-H217 AromaticContact CG-CE1 3.95Å; F213-H217 AromaticContact CG-ND1 3.73Å; F213-H217 AromaticContact CZ-CE1 3.34Å; F213-H217 WeakPolarHBondContact CZ-CE1 3.28Å; F213-H217 AromaticContact CZ-ND1 3.42Å; F213-H217 WeakPolarHBondContact CZ-ND1 3.3Å; F213-H217 PolarHBondContact O-N 2.71Å; F213-H217 PolarHBondContact O-ND1 3.34Å
214F89.6Confident85.3Confident4 Ų457 Ų572%0.01828%0.281CS..Hα-helixtrans-53.9-56.5175.8-174.6-94.6000111.2L78 F81 A86 L89 L90 I93 H210 I211 R216 H217 T218L78-F214 HydrophobicContact CD2-CD2 4.45Å; F81-F214 HydrophobicContact CB-CE2 4.41Å; F81-F214 AromaticContact CD1-CD2 3.95Å; F81-F214 HydrophobicContact CD1-CD2 3.95Å; F81-F214 HydrophobicContact CD1-CE2 4.24Å; F81-F214 AromaticContact CD2-CD2 3.89Å; F81-F214 HydrophobicContact CD2-CD2 3.89Å; F81-F214 HydrophobicContact CE1-CB 4.29Å; F81-F214 HydrophobicContact CE1-CD2 4.02Å; F81-F214 HydrophobicContact CE1-CG 4.28Å; F81-F214 HydrophobicContact CE2-CB 4.18Å; F81-F214 AromaticContact CE2-CD2 3.97Å; F81-F214 HydrophobicContact CE2-CD2 3.97Å; F81-F214 AromaticContact CG-CD2 3.89Å; F81-F214 HydrophobicContact CG-CD2 3.89Å; F81-F214 HydrophobicContact CG-CE2 4.14Å; F81-F214 HydrophobicContact CZ-CB 3.83Å; F81-F214 HydrophobicContact CZ-CD2 4.04Å; F81-F214 HydrophobicContact CZ-CG 4.24Å; A86-F214 HydrophobicContact CB-CE2 3.86Å; A86-F214 HydrophobicContact CB-CZ 3.86Å; L89-F214 HydrophobicContact CB-CE1 3.95Å; L89-F214 HydrophobicContact CB-CZ 4.41Å; L89-F214 HydrophobicContact CD1-CE1 4.5Å; L90-F214 HydrophobicContact CD1-CZ 4.32Å; L90-F214 HydrophobicContact CD2-CE1 3.91Å; L90-F214 HydrophobicContact CD2-CZ 4.09Å; L90-F214 HydrophobicContact CG-CE1 3.99Å; L90-F214 HydrophobicContact CG-CZ 3.89Å; I93-F214 HydrophobicContact CD1-CD1 4.41Å; I93-F214 HydrophobicContact CD1-CE1 4.3Å; H210-F214 WeakPolarHBondContact O-CB 3.47Å; H210-F214 PolarHBondContact O-N 2.86Å; I211-F214 PolarHBondContact O-N 3.07Å; F214-R216 VanDerWaalsContact C-N 3.34Å; F214-R216 PolarHBondContact O-N 3.1Å; F214-H217 PolarHBondContact O-N 2.86Å; F214-H217 VanDerWaalsContact O-N 3.11Å; F214-T218 HydrophobicContact CD1-CG2 4.32Å; F214-T218 HydrophobicContact CD2-CG2 4.09Å; F214-T218 HydrophobicContact CE1-CG2 4.18Å; F214-T218 HydrophobicContact CE2-CG2 3.94Å; F214-T218 HydrophobicContact CG-CG2 4.28Å; F214-T218 HydrophobicContact CZ-CG2 3.98Å; F214-T218 WeakPolarHBondContact O-CG2 3.37Å; F214-T218 PolarHBondContact O-N 3.2Å; F214-T218 PolarHBondContact O-OG1 3.22Å
215I90Very high86Confident0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-55.7-45.3-179.1-64161.2000111.9I93 L101 L104 V105 I108 I211 F213 H217 C219 F226I93-I215 HydrophobicContact CD1-CG1 3.89Å; L101-I215 HydrophobicContact CD1-CB 4Å; L101-I215 HydrophobicContact CD1-CD1 3.72Å; L101-I215 HydrophobicContact CD1-CG1 4.48Å; L101-I215 HydrophobicContact CD1-CG2 3.64Å; L104-I215 HydrophobicContact CD2-CD1 3.95Å; L104-I215 HydrophobicContact CD2-CG1 4.37Å; L104-I215 HydrophobicContact CD2-CG2 4.09Å; L104-I215 HydrophobicContact CG-CD1 4.02Å; V105-I215 HydrophobicContact CG2-CD1 3.86Å; I108-I215 HydrophobicContact CD1-CD1 3.95Å; I108-I215 HydrophobicContact CD1-CG1 4.42Å; I211-I215 HydrophobicContact CG2-CD1 3.77Å; I211-I215 HydrophobicContact CG2-CG1 4.39Å; I211-I215 VanDerWaalsContact O-CG1 3.28Å; I211-I215 WeakPolarHBondContact O-CG1 3.11Å; I211-I215 PolarHBondContact O-N 2.83Å; F213-I215 PolarHBondContact O-N 3.07Å; I215-H217 VanDerWaalsContact C-N 3.28Å; I215-H217 PolarHBondContact O-N 3.4Å; I215-C219 HydrophobicContact CG2-CB 4.31Å; I215-C219 VanDerWaalsContact O-CB 3.25Å; I215-C219 WeakPolarHBondContact O-CB 3.49Å; I215-C219 PolarHBondContact O-N 3.11Å; I215-F226 HydrophobicContact CG2-CD1 3.72Å; I215-F226 HydrophobicContact CG2-CE1 4.12Å; I215-F226 HydrophobicContact CG2-CG 4.34Å
216R85.5Confident86.4Confident145 Ų14554.7 Ų54.755%0.54727%0.268SS..Hα-helixtrans-61.7-34.8-179.1-76.4171.9-178.2171.40.2113K212 F213 F214K212-R216 WeakPolarHBondContact O-CB 3.44Å; K212-R216 VanDerWaalsContact O-CG 3.24Å; K212-R216 WeakPolarHBondContact O-CG 3.31Å; K212-R216 PolarHBondContact O-N 2.91Å; F213-R216 PolarHBondContact O-N 3.23Å; F214-R216 VanDerWaalsContact C-N 3.34Å; F214-R216 PolarHBondContact O-N 3.1Å
217H83.3Confident86.6Confident17 Ų1755.3 Ų55.38%0.07927%0.273CS..Hα-helixtrans-86.9-37.8-178.6-68.199000112.4V56 C57 L78 F213 F214 I215 K229V56-H217 VanDerWaalsContact CG1-CD2 3.49Å; V56-H217 WeakPolarHBondContact CG1-CD2 3.25Å; V56-H217 PolarHBondContact O-CD2 3.28Å; V56-H217 VanDerWaalsContact O-CD2 3.32Å; C57-H217 WeakPolarHBondContact CB-NE2 3.04Å; L78-H217 HydrophobicContact CD1-CB 4.09Å; L78-H217 HydrophobicContact CD2-CB 3.95Å; F213-H217 AromaticContact CD1-ND1 3.64Å; F213-H217 AromaticContact CD2-CE1 3.44Å; F213-H217 VanDerWaalsContact CD2-CE1 3.44Å; F213-H217 WeakPolarHBondContact CD2-CE1 3.5Å; F213-H217 AromaticContact CD2-ND1 3.72Å; F213-H217 AromaticContact CE1-CE1 3.9Å; F213-H217 AromaticContact CE1-ND1 3.47Å; F213-H217 WeakPolarHBondContact CE1-ND1 3.32Å; F213-H217 AromaticContact CE2-CE1 3.12Å; F213-H217 WeakPolarHBondContact CE2-CE1 3.39Å; F213-H217 AromaticContact CE2-ND1 3.57Å; F213-H217 AromaticContact CG-CE1 3.95Å; F213-H217 AromaticContact CG-ND1 3.73Å; F213-H217 AromaticContact CZ-CE1 3.34Å; F213-H217 WeakPolarHBondContact CZ-CE1 3.28Å; F213-H217 AromaticContact CZ-ND1 3.42Å; F213-H217 WeakPolarHBondContact CZ-ND1 3.3Å; F213-H217 PolarHBondContact O-N 2.71Å; F213-H217 PolarHBondContact O-ND1 3.34Å; F214-H217 PolarHBondContact O-N 2.86Å; F214-H217 VanDerWaalsContact O-N 3.11Å; I215-H217 VanDerWaalsContact C-N 3.28Å; I215-H217 PolarHBondContact O-N 3.4Å; H217-K229 PolarHBondContact O-NZ 3.46Å
218T86.4Confident86.8Confident6 Ų653.5 Ų53.54%0.03726%0.259CS..Hα-helixtrans-90.2-18.5-173.365.10000115.2L78 L90 F214 K229 I232L78-T218 HydrophobicContact CD2-CG2 4.38Å; L90-T218 HydrophobicContact CD2-CG2 4.31Å; L90-T218 WeakPolarHBondContact CD2-OG1 3.4Å; F214-T218 HydrophobicContact CD1-CG2 4.32Å; F214-T218 HydrophobicContact CD2-CG2 4.09Å; F214-T218 HydrophobicContact CE1-CG2 4.18Å; F214-T218 HydrophobicContact CE2-CG2 3.94Å; F214-T218 HydrophobicContact CG-CG2 4.28Å; F214-T218 HydrophobicContact CZ-CG2 3.98Å; F214-T218 WeakPolarHBondContact O-CG2 3.37Å; F214-T218 PolarHBondContact O-N 3.2Å; F214-T218 PolarHBondContact O-OG1 3.22Å; T218-K229 PolarHBondContact O-N 2.89Å; T218-I232 HydrophobicContact CG2-CD1 4.28Å
219C89.9Confident86.8Confident7 Ų751.2 Ų51.25%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-122.4165.7-174-55.20000111.8I215 T227 K229I215-C219 HydrophobicContact CG2-CB 4.31Å; I215-C219 VanDerWaalsContact O-CB 3.25Å; I215-C219 WeakPolarHBondContact O-CB 3.49Å; I215-C219 PolarHBondContact O-N 3.11Å; C219-T227 CarbonylContact C-O 3.59Å; C219-T227 VanDerWaalsContact CA-O 3.24Å; C219-T227 WeakPolarHBondContact CA-O 3.35Å; C219-T227 WeakPolarHBondContact CB-O 3.3Å; C219-K229 WeakPolarHBondContact O-CE 3.5Å
220E84.9Confident86.9Confident70 Ų7048.1 Ų48.133%0.32724%0.236SC..EExtended strand (participates in β ladder)trans-139.7163.4176.262.2-170.3-168.900109.8R222 T227 K229E220-R222 HydrophobicContact CG-CG 4.19Å; E220-R222 PolarHBondContact O-N 3.5Å; E220-R222 IonicContact OE1-CZ 2.97Å; E220-R222 IonicContact OE1-NE 3.87Å; E220-R222 PolarHBondContact OE1-NE 3.26Å; E220-R222 IonicContact OE1-NH2 3.82Å; E220-R222 PolarHBondContact OE1-NH2 3.34Å; E220-T227 PolarHBondContact N-O 2.88Å; E220-T227 PolarHBondContact O-N 2.87Å; E220-K229 HydrophobicContact CB-CG 4.24Å; E220-K229 HydrophobicContact CG-CG 4.12Å
221L85.2Confident86.6Confident103 Ų10348.1 Ų48.154%0.53924%0.244SC..EExtended strand (participates in β ladder)trans-91.996.5-177.4-133.578.5000110.2V225 F226L221-V225 WeakPolarHBondContact CA-O 3.49Å; L221-F226 HydrophobicContact CD1-CD1 3.73Å; L221-F226 HydrophobicContact CD1-CD2 3.75Å; L221-F226 HydrophobicContact CD1-CE1 3.61Å; L221-F226 HydrophobicContact CD1-CE2 3.61Å; L221-F226 HydrophobicContact CD1-CG 3.79Å; L221-F226 HydrophobicContact CD1-CZ 3.54Å
222R78.8Confident86.4Confident107 Ų10749.4 Ų49.440%0.40425%0.251SS..EExtended strand (participates in β ladder)trans-97.2125.3172.8-63.9-172.9178.9-157.9-8.1109.3E220 G224 V225E220-R222 HydrophobicContact CG-CG 4.19Å; E220-R222 PolarHBondContact O-N 3.5Å; E220-R222 IonicContact OE1-CZ 2.97Å; E220-R222 IonicContact OE1-NE 3.87Å; E220-R222 PolarHBondContact OE1-NE 3.26Å; E220-R222 IonicContact OE1-NH2 3.82Å; E220-R222 PolarHBondContact OE1-NH2 3.34Å; R222-G224 PolarHBondContact O-N 3.46Å; R222-G224 VanDerWaalsContact O-N 3.13Å; R222-V225 PolarHBondContact N-O 3.44Å; R222-V225 PolarHBondContact O-N 3.37Å
223N81.8Confident86.2Confident164 Ų16447.9 Ų47.988%0.87725%0.245SC*.THydrogen-bonded Turntrans50.237.7-178.7-57.4-9.9000113.3V225N223-V225 VanDerWaalsContact C-N 3.31Å; N223-V225 PolarHBondContact O-N 3.38Å
224G82Confident86.1Confident33 Ų3351.6 Ų51.634%0.3426%0.263SS..THydrogen-bonded Turntrans74.99.8-177.700000115.6R99 R222R99-G224 WeakPolarHBondContact CA-O 3.38Å; R99-G224 VanDerWaalsContact CB-O 3.27Å; R99-G224 WeakPolarHBondContact CB-O 3.43Å; R99-G224 VanDerWaalsContact CG-O 3.27Å; R99-G224 WeakPolarHBondContact CG-O 3.24Å; R222-G224 PolarHBondContact O-N 3.46Å; R222-G224 VanDerWaalsContact O-N 3.13Å
225V88.2Confident85.8Confident25 Ų2560.1 Ų60.115%0.15230%0.295CS..EExtended strand (participates in β ladder)trans-119.4136.4-177.3170.80000110.8R97 R99 L221 R222 N223 T227R97-V225 VanDerWaalsContact C-CG1 3.5Å; R97-V225 VanDerWaalsContact CA-CG1 3.48Å; R97-V225 HydrophobicContact CB-CG1 4.11Å; R99-V225 HydrophobicContact CG-CG2 3.91Å; L221-V225 WeakPolarHBondContact CA-O 3.49Å; R222-V225 PolarHBondContact N-O 3.44Å; R222-V225 PolarHBondContact O-N 3.37Å; N223-V225 VanDerWaalsContact C-N 3.31Å; N223-V225 PolarHBondContact O-N 3.38Å; V225-T227 PolarHBondContact O-N 3.31Å; V225-T227 PolarHBondContact O-OG1 3.2Å
226F91.3Very high85.6Confident33 Ų3362.2 Ų62.215%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-65.6116.1173.8-75.2-83.7000110.6I93 K98 R99 L101 L104 I215 L221I93-F226 HydrophobicContact CG2-CB 4.43Å; K98-F226 PolarHBondContact O-N 3.23Å; R99-F226 WeakPolarHBondContact O-CE2 3.35Å; L101-F226 HydrophobicContact CB-CE2 3.98Å; L101-F226 HydrophobicContact CB-CZ 3.86Å; L101-F226 HydrophobicContact CD1-CE1 4.39Å; L101-F226 HydrophobicContact CD1-CZ 4.28Å; L104-F226 HydrophobicContact CD2-CB 3.74Å; L104-F226 HydrophobicContact CD2-CD2 4.31Å; L104-F226 HydrophobicContact CD2-CG 4.04Å; I215-F226 HydrophobicContact CG2-CD1 3.72Å; I215-F226 HydrophobicContact CG2-CE1 4.12Å; I215-F226 HydrophobicContact CG2-CG 4.34Å; L221-F226 HydrophobicContact CD1-CD1 3.73Å; L221-F226 HydrophobicContact CD1-CD2 3.75Å; L221-F226 HydrophobicContact CD1-CE1 3.61Å; L221-F226 HydrophobicContact CD1-CE2 3.61Å; L221-F226 HydrophobicContact CD1-CG 3.79Å; L221-F226 HydrophobicContact CD1-CZ 3.54Å
227T89.9Confident85.6Confident37 Ų3761.6 Ų61.623%0.22730%0.304CS..EExtended strand (participates in β ladder)trans-128.3135.2-177.9-52.40000109.5C219 E220 V225C219-T227 CarbonylContact C-O 3.59Å; C219-T227 VanDerWaalsContact CA-O 3.24Å; C219-T227 WeakPolarHBondContact CA-O 3.35Å; C219-T227 WeakPolarHBondContact CB-O 3.3Å; E220-T227 PolarHBondContact N-O 2.88Å; E220-T227 PolarHBondContact O-N 2.87Å; V225-T227 PolarHBondContact O-N 3.31Å; V225-T227 PolarHBondContact O-OG1 3.2Å
228P90.9Very high85.8Confident3 Ų360.9 Ų60.92%0.01930%0.301CS..EExtended strand (participates in β ladder)trans-56.3139.5174.3-26.636.2000112.8L90 I93 M233L90-P228 HydrophobicContact CB-CG 4.48Å; L90-P228 HydrophobicContact CD2-CB 4.15Å; L90-P228 HydrophobicContact CD2-CG 4.35Å; L90-P228 WeakPolarHBondContact O-CG 3.1Å; I93-P228 HydrophobicContact CG2-CG 4.49Å; P228-M233 HydrophobicContact CB-CG 3.75Å; P228-M233 HydrophobicContact CB-SD 4.19Å
229K88.6Confident85.5Confident55 Ų5565.7 Ų65.724%0.23932%0.323CS..  trans-63.9138.6176.4-66.3173.6178.8166.70110.2H217 T218 C219 E220 S231 I232 M233H217-K229 PolarHBondContact O-NZ 3.46Å; T218-K229 PolarHBondContact O-N 2.89Å; C219-K229 WeakPolarHBondContact O-CE 3.5Å; E220-K229 HydrophobicContact CB-CG 4.24Å; E220-K229 HydrophobicContact CG-CG 4.12Å; K229-S231 VanDerWaalsContact C-N 3.32Å; K229-S231 PolarHBondContact O-N 3.17Å; K229-I232 HydrophobicContact CB-CB 4.39Å; K229-I232 HydrophobicContact CB-CD1 4.21Å; K229-I232 HydrophobicContact CB-CG1 4.31Å; K229-I232 HydrophobicContact CD-CD1 4.22Å; K229-I232 WeakPolarHBondContact O-CA 3.27Å; K229-I232 WeakPolarHBondContact O-CB 3.35Å; K229-I232 PolarHBondContact O-N 2.92Å; K229-M233 PolarHBondContact O-N 2.82Å
230V85.8Confident84.9Confident32 Ų3269.4 Ų69.419%0.19435%0.347CS..Hα-helixtrans-57.8-41.7-176.1170.80000112.5I232 M233 Q234 Y241V230-I232 PolarHBondContact O-N 3.36Å; V230-M233 PolarHBondContact O-N 3Å; V230-Q234 HydrophobicContact CG1-CG 4.43Å; V230-Q234 WeakPolarHBondContact O-CG 3.37Å; V230-Q234 PolarHBondContact O-N 2.9Å; V230-Y241 HydrophobicContact CG1-CD1 4.39Å; V230-Y241 HydrophobicContact CG1-CE1 3.87Å; V230-Y241 HydrophobicContact CG1-CE2 4.09Å; V230-Y241 HydrophobicContact CG2-CE2 4.11Å
231S81.3Confident84.9Confident76 Ų7671.2 Ų71.253%0.53135%0.352SS..Hα-helixtrans-59.1-30.7175.452.50000113.2K229 R235K229-S231 VanDerWaalsContact C-N 3.32Å; K229-S231 PolarHBondContact O-N 3.17Å; S231-R235 WeakPolarHBondContact O-CB 3.29Å; S231-R235 PolarHBondContact O-N 3.24Å
232I84.3Confident84.7Confident30 Ų3067.2 Ų67.215%0.15434%0.336CS..Hα-helixtrans-83-38.3178.5-66.1178.4000110.6L90 T218 K229 V230 Q234 R235 Y236L90-I232 HydrophobicContact CD1-CG2 3.7Å; L90-I232 HydrophobicContact CD2-CG2 4.13Å; T218-I232 HydrophobicContact CG2-CD1 4.28Å; K229-I232 HydrophobicContact CB-CB 4.39Å; K229-I232 HydrophobicContact CB-CD1 4.21Å; K229-I232 HydrophobicContact CB-CG1 4.31Å; K229-I232 HydrophobicContact CD-CD1 4.22Å; K229-I232 WeakPolarHBondContact O-CA 3.27Å; K229-I232 WeakPolarHBondContact O-CB 3.35Å; K229-I232 PolarHBondContact O-N 2.92Å; V230-I232 PolarHBondContact O-N 3.36Å; I232-Q234 VanDerWaalsContact C-N 3.31Å; I232-Q234 PolarHBondContact O-N 3.34Å; I232-R235 PolarHBondContact O-N 3.25Å; I232-Y236 HydrophobicContact CG2-CD2 3.82Å; I232-Y236 HydrophobicContact CG2-CE2 3.99Å; I232-Y236 WeakPolarHBondContact O-CD2 3.38Å; I232-Y236 PolarHBondContact O-N 3.17Å
233M85.3Confident85Confident28 Ų2866.3 Ų66.314%0.13834%0.343CS..Hα-helixtrans-60-41.2170.8-62.2-173.675.500112P228 K229 V230 K237 L238 H239 Y241P228-M233 HydrophobicContact CB-CG 3.75Å; P228-M233 HydrophobicContact CB-SD 4.19Å; K229-M233 PolarHBondContact O-N 2.82Å; V230-M233 PolarHBondContact O-N 3Å; M233-K237 WeakPolarHBondContact O-CA 3.35Å; M233-K237 PolarHBondContact O-N 2.78Å; M233-L238 PolarHBondContact O-N 3.17Å; M233-H239 WeakPolarHBondContact CE-O 3.38Å; M233-Y241 HydrophobicContact CB-CD2 3.7Å; M233-Y241 HydrophobicContact CB-CE2 4.41Å; M233-Y241 HydrophobicContact CB-CG 4.47Å; M233-Y241 HydrophobicContact CE-CD2 4.13Å; M233-Y241 HydrophobicContact CE-CE2 4.42Å; M233-Y241 HydrophobicContact CG-CD2 4.45Å; M233-Y241 HydrophobicContact SD-CD2 3.96Å; M233-Y241 HydrophobicContact SD-CE2 3.92Å
234Q85.2Confident85.1Confident108 Ų10860 Ų6051%0.50531%0.311SS..Hα-helixtrans-62.9-47.9173.1-72.3170.4-13.900111.7V230 I232 Y236 K237 Y241V230-Q234 HydrophobicContact CG1-CG 4.43Å; V230-Q234 WeakPolarHBondContact O-CG 3.37Å; V230-Q234 PolarHBondContact O-N 2.9Å; I232-Q234 VanDerWaalsContact C-N 3.31Å; I232-Q234 PolarHBondContact O-N 3.34Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 2.92Å; Q234-K237 PolarHBondContact O-N 3.13Å; Q234-Y241 HydrophobicContact CG-CD1 4.23Å; Q234-Y241 HydrophobicContact CG-CG 4.15Å
235R83.4Confident85.3Confident184 Ų18460.8 Ų60.869%0.69431%0.309SS*.Hα-helixtrans-57.3-42.1178.4-176.5177177.7174.30112.9S231 I232S231-R235 WeakPolarHBondContact O-CB 3.29Å; S231-R235 PolarHBondContact O-N 3.24Å; I232-R235 PolarHBondContact O-N 3.25Å
236Y85.7Confident85.2Confident43 Ų4359.8 Ų59.817%0.16930%0.303CS..THydrogen-bonded Turntrans-89.64176.8-71.7-77.4000114N83 A86 L90 I232 Q234 L238N83-Y236 HydrophobicContact CB-CE1 4.21Å; A86-Y236 HydrophobicContact CB-CE1 3.88Å; L90-Y236 HydrophobicContact CD1-CD2 3.41Å; L90-Y236 VanDerWaalsContact CD1-CD2 3.41Å; L90-Y236 HydrophobicContact CD1-CE2 3.75Å; L90-Y236 HydrophobicContact CD1-CG 4.02Å; I232-Y236 HydrophobicContact CG2-CD2 3.82Å; I232-Y236 HydrophobicContact CG2-CE2 3.99Å; I232-Y236 WeakPolarHBondContact O-CD2 3.38Å; I232-Y236 PolarHBondContact O-N 3.17Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 2.92Å; Y236-L238 PolarHBondContact O-N 3.13Å
237K86.3Confident84.9Confident132 Ų13261.2 Ų61.257%0.57432%0.321SS*.THydrogen-bonded Turntrans52.136.3179.3-54.8-177.7179.9179.30113.7M233 Q234 G242 V244M233-K237 WeakPolarHBondContact O-CA 3.35Å; M233-K237 PolarHBondContact O-N 2.78Å; Q234-K237 PolarHBondContact O-N 3.13Å; K237-G242 CarbonylContact O-C 3.13Å; K237-G242 WeakPolarHBondContact O-CA 3.38Å; K237-V244 HydrophobicContact CB-CG2 4.47Å; K237-V244 WeakPolarHBondContact O-CB 3.15Å; K237-V244 WeakPolarHBondContact O-CG2 3.23Å; K237-V244 PolarHBondContact O-N 2.97Å
238L86.9Confident84.7Confident2 Ų265.2 Ų65.21%0.0134%0.335CS..BIsolated β-bridgetrans-79.1142.2-179.1-65.5173000111.4L90 Y91 M233 Y236 Y241 G242 V244 L249L90-L238 HydrophobicContact CB-CD1 3.51Å; L90-L238 HydrophobicContact CD1-CD1 4.07Å; L90-L238 HydrophobicContact CG-CD1 4.44Å; Y91-L238 HydrophobicContact CD2-CD2 4.45Å; M233-L238 PolarHBondContact O-N 3.17Å; Y236-L238 PolarHBondContact O-N 3.13Å; L238-Y241 CarbonylContact O-C 3.44Å; L238-Y241 WeakPolarHBondContact O-CA 3.23Å; L238-Y241 PolarHBondContact O-N 3.06Å; L238-G242 PolarHBondContact O-N 3.39Å; L238-V244 HydrophobicContact CD2-CB 4.22Å; L238-V244 HydrophobicContact CD2-CG1 3.95Å; L238-L249 HydrophobicContact CD2-CD1 4.49Å
239H80Confident84.5Confident107 Ų10765.4 Ų65.450%0.49534%0.336SS..THydrogen-bonded Turntrans-55.3135.9172.4-173.882.2000111.3M233 G242 V244 T245M233-H239 WeakPolarHBondContact CE-O 3.38Å; H239-G242 WeakPolarHBondContact CA-O 3.49Å; H239-G242 PolarHBondContact N-O 2.95Å; H239-V244 WeakPolarHBondContact CB-O 3.44Å; H239-V244 PolarHBondContact N-O 2.93Å; H239-T245 HydrophobicContact CB-CG2 4.18Å
240P77.6Confident84.6Confident86 Ų8663 Ų6356%0.55833%0.325SS*.THydrogen-bonded Turncis-85.2-5.86.634.8-36.5000115.5G242P240-G242 VanDerWaalsContact C-N 3.3Å; P240-G242 PolarHBondContact O-N 3.22Å
241Y83.5Confident84.5Confident107 Ų10762.7 Ų62.742%0.4232%0.323SS..SBendtrans-84.33.3-175-58.8-77.7000114.6V230 M233 Q234 L238V230-Y241 HydrophobicContact CG1-CD1 4.39Å; V230-Y241 HydrophobicContact CG1-CE1 3.87Å; V230-Y241 HydrophobicContact CG1-CE2 4.09Å; V230-Y241 HydrophobicContact CG2-CE2 4.11Å; M233-Y241 HydrophobicContact CB-CD2 3.7Å; M233-Y241 HydrophobicContact CB-CE2 4.41Å; M233-Y241 HydrophobicContact CB-CG 4.47Å; M233-Y241 HydrophobicContact CE-CD2 4.13Å; M233-Y241 HydrophobicContact CE-CE2 4.42Å; M233-Y241 HydrophobicContact CG-CD2 4.45Å; M233-Y241 HydrophobicContact SD-CD2 3.96Å; M233-Y241 HydrophobicContact SD-CE2 3.92Å; Q234-Y241 HydrophobicContact CG-CD1 4.23Å; Q234-Y241 HydrophobicContact CG-CG 4.15Å; L238-Y241 CarbonylContact O-C 3.44Å; L238-Y241 WeakPolarHBondContact O-CA 3.23Å; L238-Y241 PolarHBondContact O-N 3.06Å
242G82.1Confident84.3Confident20 Ų2062.6 Ų62.621%0.20632%0.32CS..SBendtrans-171180173.900000113.6K237 L238 H239 P240 V244K237-G242 CarbonylContact O-C 3.13Å; K237-G242 WeakPolarHBondContact O-CA 3.38Å; L238-G242 PolarHBondContact O-N 3.39Å; H239-G242 WeakPolarHBondContact CA-O 3.49Å; H239-G242 PolarHBondContact N-O 2.95Å; P240-G242 VanDerWaalsContact C-N 3.3Å; P240-G242 PolarHBondContact O-N 3.22Å; G242-V244 VanDerWaalsContact C-N 3.29Å; G242-V244 PolarHBondContact O-N 2.9Å
243P84.6Confident83.9Confident87 Ų8766.1 Ų66.157%0.56535%0.345SS*.SBendtrans-85.58.9-168.136.4-38.2000114.2K248P243-K248 PolarHBondContact O-NZ 3.4Å
244V84.4Confident83.5Confident31 Ų3168.9 Ų68.919%0.18836%0.357CS..BIsolated β-bridgetrans-88.6113.9178-177.30000109.5K237 L238 H239 G242 L249K237-V244 HydrophobicContact CB-CG2 4.47Å; K237-V244 WeakPolarHBondContact O-CB 3.15Å; K237-V244 WeakPolarHBondContact O-CG2 3.23Å; K237-V244 PolarHBondContact O-N 2.97Å; L238-V244 HydrophobicContact CD2-CB 4.22Å; L238-V244 HydrophobicContact CD2-CG1 3.95Å; H239-V244 WeakPolarHBondContact CB-O 3.44Å; H239-V244 PolarHBondContact N-O 2.93Å; G242-V244 VanDerWaalsContact C-N 3.29Å; G242-V244 PolarHBondContact O-N 2.9Å; V244-L249 HydrophobicContact CG1-CD1 3.96Å; V244-L249 HydrophobicContact CG1-CD2 3.67Å; V244-L249 HydrophobicContact CG1-CG 3.72Å
245T86.5Confident83.2Confident51 Ų5164.2 Ų64.231%0.31334%0.336SS..  trans-119.3166.3176.5570000110H239 A247 K248 L249H239-T245 HydrophobicContact CB-CG2 4.18Å; T245-A247 VanDerWaalsContact C-N 3.25Å; T245-A247 PolarHBondContact O-N 3.17Å; T245-A247 VanDerWaalsContact O-N 3.15Å; T245-K248 PolarHBondContact O-N 3.17Å; T245-L249 PolarHBondContact O-N 3.37Å
246W86Confident83Confident3 Ų358.4 Ų58.41%0.01132%0.323CS..Hα-helixtrans-50.5-42.2-178.1-174.8-109.7000114.2Y91 I92 F111 F117 K248 L249 F250 L251 E254 W257Y91-W246 HydrophobicContact CD1-CB 4.42Å; Y91-W246 AromaticContact CD1-CE3 3.74Å; Y91-W246 HydrophobicContact CD1-CE3 3.74Å; Y91-W246 HydrophobicContact CD1-CZ3 4.47Å; Y91-W246 HydrophobicContact CE1-CB 3.66Å; Y91-W246 HydrophobicContact CE1-CD2 4.48Å; Y91-W246 HydrophobicContact CE1-CE3 4.07Å; Y91-W246 HydrophobicContact CE1-CG 4.38Å; Y91-W246 HydrophobicContact CG-CE3 4.48Å; Y91-W246 PolarHBondContact OH-N 2.99Å; I92-W246 HydrophobicContact CD1-CH2 4.13Å; I92-W246 HydrophobicContact CD1-CZ3 4.17Å; I92-W246 HydrophobicContact CG1-CH2 4.12Å; I92-W246 HydrophobicContact CG1-CZ3 3.81Å; F111-W246 AromaticContact CE1-CH2 3.98Å; F111-W246 HydrophobicContact CE1-CH2 3.98Å; F111-W246 HydrophobicContact CE1-CZ2 4.35Å; F111-W246 HydrophobicContact CZ-CH2 4.16Å; F111-W246 HydrophobicContact CZ-CZ2 4.07Å; F117-W246 HydrophobicContact CE1-CH2 4.02Å; F117-W246 HydrophobicContact CE1-CZ3 4.41Å; W246-K248 PolarHBondContact O-N 3.35Å; W246-L249 HydrophobicContact CE3-CB 4.4Å; W246-L249 HydrophobicContact CE3-CD1 4.5Å; W246-L249 PolarHBondContact O-N 3.43Å; W246-F250 HydrophobicContact CD2-CB 4.35Å; W246-F250 HydrophobicContact CH2-CB 3.87Å; W246-F250 HydrophobicContact CH2-CD1 4.15Å; W246-F250 HydrophobicContact CH2-CG 4.26Å; W246-F250 HydrophobicContact CZ2-CB 3.57Å; W246-F250 AromaticContact CZ2-CD1 3.5Å; W246-F250 HydrophobicContact CZ2-CD1 3.5Å; W246-F250 AromaticContact CZ2-CG 3.91Å; W246-F250 HydrophobicContact CZ2-CG 3.91Å; W246-F250 HydrophobicContact CZ3-CB 4.36Å; W246-F250 PolarHBondContact O-N 3.45Å; W246-L251 PolarHBondContact NE1-O 3.04Å; W246-E254 HydrophobicContact CB-CB 4.12Å; W246-E254 HydrophobicContact CB-CG 3.97Å; W246-E254 WeakPolarHBondContact CB-OE2 3.23Å; W246-E254 VanDerWaalsContact CD1-CA 3.46Å; W246-E254 HydrophobicContact CD2-CG 4.44Å; W246-E254 HydrophobicContact CG-CB 3.99Å; W246-E254 HydrophobicContact CG-CG 3.82Å; W246-W257 HydrophobicContact CD2-CZ2 4.18Å; W246-W257 AromaticContact CE2-CZ2 3.9Å; W246-W257 HydrophobicContact CE3-CZ2 4.05Å; W246-W257 AromaticContact CH2-CH2 3.52Å; W246-W257 HydrophobicContact CH2-CH2 3.52Å; W246-W257 AromaticContact CH2-CZ2 3.34Å; W246-W257 HydrophobicContact CH2-CZ2 3.34Å; W246-W257 AromaticContact CZ2-CH2 3.75Å; W246-W257 HydrophobicContact CZ2-CH2 3.75Å; W246-W257 AromaticContact CZ2-CZ2 3.46Å; W246-W257 HydrophobicContact CZ2-CZ2 3.46Å; W246-W257 VanDerWaalsContact CZ2-CZ2 3.46Å; W246-W257 HydrophobicContact CZ3-CH2 4.19Å; W246-W257 AromaticContact CZ3-CZ2 3.66Å; W246-W257 HydrophobicContact CZ3-CZ2 3.66Å
247A84.8Confident82.8Confident63 Ų6356.7 Ų56.752%0.52132%0.316SS..Hα-helixtrans-63.4-13.3-179.600000114.9T245 P252T245-A247 VanDerWaalsContact C-N 3.25Å; T245-A247 PolarHBondContact O-N 3.17Å; T245-A247 VanDerWaalsContact O-N 3.15Å; A247-P252 HydrophobicContact CB-CB 4.31Å
248K86.4Confident82.2Confident122 Ų12253.1 Ų53.153%0.5331%0.308SS..Hα-helixtrans-95.4-23170.3-68.6-178.8-179.7171.10113.2V118 P243 T245 W246V118-K248 WeakPolarHBondContact CB-O 3.48Å; V118-K248 WeakPolarHBondContact CG1-O 3.23Å; P243-K248 PolarHBondContact O-NZ 3.4Å; T245-K248 PolarHBondContact O-N 3.17Å; W246-K248 PolarHBondContact O-N 3.35Å
249L86.6Confident81.4Confident6 Ų660.2 Ų60.23%0.03134%0.341CS..Hα-helixtrans-88.2-34.9-178-66.9168.6000111.9S87 Y91 V118 L238 V244 T245 W246S87-L249 WeakPolarHBondContact OG-CD2 3.32Å; Y91-L249 HydrophobicContact CD2-CD1 3.93Å; Y91-L249 HydrophobicContact CG-CD1 3.87Å; V118-L249 WeakPolarHBondContact CB-O 3.26Å; V118-L249 PolarHBondContact N-O 3.46Å; L238-L249 HydrophobicContact CD2-CD1 4.49Å; V244-L249 HydrophobicContact CG1-CD1 3.96Å; V244-L249 HydrophobicContact CG1-CD2 3.67Å; V244-L249 HydrophobicContact CG1-CG 3.72Å; T245-L249 PolarHBondContact O-N 3.37Å; W246-L249 HydrophobicContact CE3-CB 4.4Å; W246-L249 HydrophobicContact CE3-CD1 4.5Å; W246-L249 PolarHBondContact O-N 3.43Å
250F89.7Confident80.8Confident4 Ų458 Ų582%0.01833%0.333CS..SBendtrans-159.2-176.5-173.5-156.9-118.2000112.3F111 R115 F116 F117 V140 F165 L171 Y173 W246F111-F250 HydrophobicContact CE1-CE1 4.26Å; F111-F250 HydrophobicContact CZ-CD1 4.11Å; F111-F250 AromaticContact CZ-CE1 3.76Å; F111-F250 HydrophobicContact CZ-CE1 3.76Å; R115-F250 HydrophobicContact CB-CE2 4.31Å; R115-F250 HydrophobicContact CB-CZ 3.93Å; R115-F250 HydrophobicContact CG-CZ 4.14Å; F116-F250 WeakPolarHBondContact O-CE2 3.28Å; F117-F250 HydrophobicContact CD1-CB 4.24Å; F117-F250 AromaticContact CD1-CD2 3.88Å; F117-F250 HydrophobicContact CD1-CD2 3.88Å; F117-F250 HydrophobicContact CD1-CG 4.23Å; F117-F250 HydrophobicContact CE1-CD2 4.26Å; F117-F250 HydrophobicContact CE1-CG 4.38Å; V140-F250 HydrophobicContact CG1-CE2 4.2Å; V140-F250 HydrophobicContact CG1-CZ 4.46Å; V140-F250 HydrophobicContact CG2-CD2 3.87Å; V140-F250 HydrophobicContact CG2-CE2 3.88Å; F165-F250 HydrophobicContact CE1-CD1 4.24Å; F165-F250 AromaticContact CE1-CE1 3.53Å; F165-F250 HydrophobicContact CE1-CE1 3.53Å; F165-F250 HydrophobicContact CE1-CZ 4.47Å; F165-F250 AromaticContact CZ-CD1 3.77Å; F165-F250 HydrophobicContact CZ-CD1 3.77Å; F165-F250 AromaticContact CZ-CE1 3.54Å; F165-F250 HydrophobicContact CZ-CE1 3.54Å; L171-F250 HydrophobicContact CD1-CZ 3.88Å; Y173-F250 HydrophobicContact CE1-CE2 4.39Å; W246-F250 HydrophobicContact CD2-CB 4.35Å; W246-F250 HydrophobicContact CH2-CB 3.87Å; W246-F250 HydrophobicContact CH2-CD1 4.15Å; W246-F250 HydrophobicContact CH2-CG 4.26Å; W246-F250 HydrophobicContact CZ2-CB 3.57Å; W246-F250 AromaticContact CZ2-CD1 3.5Å; W246-F250 HydrophobicContact CZ2-CD1 3.5Å; W246-F250 AromaticContact CZ2-CG 3.91Å; W246-F250 HydrophobicContact CZ2-CG 3.91Å; W246-F250 HydrophobicContact CZ3-CB 4.36Å; W246-F250 PolarHBondContact O-N 3.45Å
251L84.3Confident79.8Confident27 Ų2758.9 Ų58.914%0.14134%0.337CS..SBendtrans-65.6126.4-179.3-175.180.1000111.8V140 V142 F165 P166 L171 W246V140-L251 HydrophobicContact CB-CB 4.37Å; V140-L251 HydrophobicContact CG1-CB 4.3Å; V142-L251 HydrophobicContact CG2-CD1 4.23Å; V142-L251 HydrophobicContact CG2-CD2 3.43Å; V142-L251 VanDerWaalsContact CG2-CD2 3.43Å; V142-L251 HydrophobicContact CG2-CG 4.48Å; F165-L251 HydrophobicContact CE1-CD2 4.42Å; F165-L251 HydrophobicContact CZ-CB 4.13Å; F165-L251 HydrophobicContact CZ-CD2 4.19Å; P166-L251 HydrophobicContact CG-CD2 3.78Å; L171-L251 HydrophobicContact CD2-CD2 4.03Å; W246-L251 PolarHBondContact NE1-O 3.04Å
252P75.8Confident78.1Confident74 Ų7457.6 Ų57.648%0.48134%0.342SS..SBendtrans-81.3159.3171.433.2-34.5000112.4A247A247-P252 HydrophobicContact CB-CB 4.31Å
253P77.3Confident75.9Confident103 Ų10360.6 Ų60.667%0.66936%0.364SS*.SBendcis-72166.61.331-36.5000113.7
254E76.4Confident73.4Confident87 Ų8761.5 Ų61.541%0.40737%0.37SS..PPolyproline II helixtrans-71.4132174.1-173.1174.7153.100110.9Y91 W246 W257Y91-E254 WeakPolarHBondContact CE1-OE1 3.48Å; Y91-E254 WeakPolarHBondContact CE1-OE2 3.32Å; Y91-E254 PolarHBondContact OH-OE2 2.96Å; W246-E254 HydrophobicContact CB-CB 4.12Å; W246-E254 HydrophobicContact CB-CG 3.97Å; W246-E254 WeakPolarHBondContact CB-OE2 3.23Å; W246-E254 VanDerWaalsContact CD1-CA 3.46Å; W246-E254 HydrophobicContact CD2-CG 4.44Å; W246-E254 HydrophobicContact CG-CB 3.99Å; W246-E254 HydrophobicContact CG-CG 3.82Å; E254-W257 PolarHBondContact OE1-NE1 2.8Å
255P79.5Confident70.7Confident10 Ų1066.7 Ų66.77%0.06541%0.405CS..PPolyproline II helixtrans-69.3150.7175.4-15.528.9000112.9F165 W257 L260F165-P255 HydrophobicContact CD2-CG 3.76Å; F165-P255 HydrophobicContact CE2-CG 3.94Å; P255-W257 VanDerWaalsContact C-N 3.3Å; P255-W257 HydrophobicContact CB-CD2 4.44Å; P255-W257 HydrophobicContact CB-CZ2 4.39Å; P255-W257 HydrophobicContact CG-CH2 3.9Å; P255-W257 HydrophobicContact CG-CZ2 3.76Å; P255-W257 HydrophobicContact CG-CZ3 4.41Å; P255-W257 VanDerWaalsContact O-CD1 3.27Å; P255-W257 PolarHBondContact O-N 3.03Å; P255-L260 HydrophobicContact CB-CD1 3.53Å; P255-L260 HydrophobicContact CG-CD1 4.47Å
256C79.1Confident67.8Low62 Ų6269.8 Ų69.842%0.41943%0.428SS..  trans-72.185.2166-169.20000110.5S258 E259 L260C256-S258 PolarHBondContact O-N 2.8Å; C256-S258 VanDerWaalsContact O-N 3.1Å; C256-E259 HydrophobicContact CB-CB 4.26Å; C256-E259 HydrophobicContact CB-CG 4.5Å; C256-E259 PolarHBondContact O-N 3.14Å; C256-E259 VanDerWaalsContact O-N 3.08Å; C256-E259 PolarHBondContact SG-OE1 3.05Å; C256-L260 PolarHBondContact O-N 3.08Å; C256-L260 VanDerWaalsContact O-N 3.13Å
257W80.1Confident64.7Low6 Ų674.7 Ų74.72%0.02346%0.463CS..THydrogen-bonded Turntrans-57.5-24.9-178.1-59.3109000114.6I92 G95 A96 F111 W246 E254 P255 L260I92-W257 HydrophobicContact CD1-CH2 4.01Å; I92-W257 HydrophobicContact CD1-CZ3 4.36Å; I92-W257 HydrophobicContact CG1-CE3 4.5Å; I92-W257 HydrophobicContact CG1-CH2 3.69Å; I92-W257 HydrophobicContact CG1-CZ2 3.82Å; I92-W257 HydrophobicContact CG1-CZ3 4.04Å; I92-W257 HydrophobicContact CG2-CD2 4.37Å; I92-W257 HydrophobicContact CG2-CE3 3.91Å; I92-W257 HydrophobicContact CG2-CH2 4.47Å; I92-W257 HydrophobicContact CG2-CZ3 3.96Å; G95-W257 VanDerWaalsContact C-CB 3.45Å; A96-W257 HydrophobicContact CB-CB 4.17Å; F111-W257 HydrophobicContact CD1-CH2 4.28Å; F111-W257 HydrophobicContact CD1-CZ3 4.46Å; F111-W257 HydrophobicContact CD2-CH2 4.24Å; F111-W257 HydrophobicContact CD2-CZ3 4.04Å; F111-W257 HydrophobicContact CE1-CH2 4Å; F111-W257 AromaticContact CE2-CH2 3.95Å; F111-W257 HydrophobicContact CE2-CH2 3.95Å; F111-W257 HydrophobicContact CE2-CZ3 4.17Å; F111-W257 HydrophobicContact CG-CH2 4.4Å; F111-W257 HydrophobicContact CG-CZ3 4.19Å; F111-W257 AromaticContact CZ-CH2 3.82Å; F111-W257 HydrophobicContact CZ-CH2 3.82Å; F111-W257 HydrophobicContact CZ-CZ3 4.44Å; W246-W257 HydrophobicContact CD2-CZ2 4.18Å; W246-W257 AromaticContact CE2-CZ2 3.9Å; W246-W257 HydrophobicContact CE3-CZ2 4.05Å; W246-W257 AromaticContact CH2-CH2 3.52Å; W246-W257 HydrophobicContact CH2-CH2 3.52Å; W246-W257 AromaticContact CH2-CZ2 3.34Å; W246-W257 HydrophobicContact CH2-CZ2 3.34Å; W246-W257 AromaticContact CZ2-CH2 3.75Å; W246-W257 HydrophobicContact CZ2-CH2 3.75Å; W246-W257 AromaticContact CZ2-CZ2 3.46Å; W246-W257 HydrophobicContact CZ2-CZ2 3.46Å; W246-W257 VanDerWaalsContact CZ2-CZ2 3.46Å; W246-W257 HydrophobicContact CZ3-CH2 4.19Å; W246-W257 AromaticContact CZ3-CZ2 3.66Å; W246-W257 HydrophobicContact CZ3-CZ2 3.66Å; E254-W257 PolarHBondContact OE1-NE1 2.8Å; P255-W257 VanDerWaalsContact C-N 3.3Å; P255-W257 HydrophobicContact CB-CD2 4.44Å; P255-W257 HydrophobicContact CB-CZ2 4.39Å; P255-W257 HydrophobicContact CG-CH2 3.9Å; P255-W257 HydrophobicContact CG-CZ2 3.76Å; P255-W257 HydrophobicContact CG-CZ3 4.41Å; P255-W257 VanDerWaalsContact O-CD1 3.27Å; P255-W257 PolarHBondContact O-N 3.03Å; W257-L260 HydrophobicContact CE3-CD1 3.89Å; W257-L260 HydrophobicContact CZ3-CD1 4.19Å
258S74.2Confident61.8Low57 Ų5779.5 Ų79.540%0.39948%0.478SS..THydrogen-bonded Turntrans-69.9-41.4176.8-68.70000111.7G95 K98 C256G95-S258 PolarHBondContact O-OG 3.32Å; K98-S258 PolarHBondContact NZ-O 2.83Å; C256-S258 PolarHBondContact O-N 2.8Å; C256-S258 VanDerWaalsContact O-N 3.1Å
259E70.1Confident58.7Low152 Ų15281 Ų8171%0.7149%0.491SS*.THydrogen-bonded Turntrans-82.1-23.5-179.2-73.1162.5-144.900113.7C256 T261C256-E259 HydrophobicContact CB-CB 4.26Å; C256-E259 HydrophobicContact CB-CG 4.5Å; C256-E259 PolarHBondContact O-N 3.14Å; C256-E259 VanDerWaalsContact O-N 3.08Å; C256-E259 PolarHBondContact SG-OE1 3.05Å; E259-T261 VanDerWaalsContact C-N 3.35Å; E259-T261 PolarHBondContact O-N 3.2Å
260L67.3Low55.5Low61 Ų6192.1 Ų92.132%0.31953%0.532SS..  trans-62.294.3172.7-81.3163.1000110.8K98 L107 P255 C256 W257K98-L260 PolarHBondContact NZ-O 2.88Å; L107-L260 HydrophobicContact CD1-CB 4.04Å; P255-L260 HydrophobicContact CB-CD1 3.53Å; P255-L260 HydrophobicContact CG-CD1 4.47Å; C256-L260 PolarHBondContact O-N 3.08Å; C256-L260 VanDerWaalsContact O-N 3.13Å; W257-L260 HydrophobicContact CE3-CD1 3.89Å; W257-L260 HydrophobicContact CZ3-CD1 4.19Å
261T56.2Low52.2Low104 Ų10498.1 Ų98.164%0.63857%0.569SS**  trans-85.9141.915548.90000108.5E259 A263E259-T261 VanDerWaalsContact C-N 3.35Å; E259-T261 PolarHBondContact O-N 3.2Å; T261-A263 PolarHBondContact O-N 3.09Å
262P47.7Very low49.4Very low80 Ų80103.6 Ų103.652%0.51960%0.603SS.*  trans-67.2100.4176.426.8-32.8000109.7
263A35.8Very low46.9Very low82 Ų82105.2 Ų105.268%0.67862%0.616SS**  trans-65.8131.6173.400000109.9T261T261-A263 PolarHBondContact O-N 3.09Å
264P33.7Very low44.1Very low107 Ų107106.9 Ų106.970%0.69562%0.62SS**  trans-62.8147.5170.527.1-33.1000110S266P264-S266 PolarHBondContact O-N 3.08Å
265P27.5Very low41.6Very low140 Ų140110.9 Ų110.991%0.90964%0.643SS**  trans-64.8112.1-170.325.9-34.4000111
266S25.1Very low38.7Very low115 Ų115114.8 Ų114.880%0.80467%0.671SS**  trans-108.7138.4-174.648.80000112P264P264-S266 PolarHBondContact O-N 3.08Å
267S21.4Very low36Very low106 Ų106120.8 Ų120.874%0.74169%0.689SS**  trans-139.5149.4166.465.70000108.8
268I22.5Very low33.1Very low164 Ų164128 Ų12884%0.84172%0.724SS**  trans86.9112.1-178.2-51.9172.4000113.7
269I21.6Very low30.5Very low155 Ų155130 Ų13080%0.79574%0.737SS**  trans-79.3140.9178.1-65.5156.7000109.4
270R20.3Very low28.1Very low238 Ų238127.1 Ų127.190%0.89873%0.734SS**  trans-132.9121.1156.3-91.9-171.1169.4-167.9-4.6110.4
271T20.7Very low25.8Very low131 Ų131135.5 Ų135.580%0.80476%0.762SS**  trans-67.8126.8171.742.60000111.9
272V24.9Very low24.2Very low141 Ų141135.7 Ų135.786%0.85576%0.764SS**  trans-139.9150.9149.3-172.20000108
273S22.5Very low22.9Very low108 Ų108140 Ų14076%0.75578%0.781SS**  trans-68.6155.1-163.245.80000117.5
274N19.8Very low22.1Very low138 Ų138140.9 Ų140.974%0.73878%0.781SS**  trans-60.5145.4169.4-53.5-33000112.7
275L22.9Very low21.5Very low172 Ų172144.4 Ų144.490%0.90179%0.789SS**  -143.5127.4124.9-151.474.6000110.6
276S19.5Very low21.2Very low92 Ų92141 Ų14164%0.64378%0.778SS**  trans-69.2151.4179.1460000112.9
277K21.3Very low21Very low187 Ų187145.5 Ų145.581%0.81378%0.784SS**  -170.4137.8115.9-103.1165.9-174.3-179.50113.7
278E19.4Very low21Very low159 Ų159150.1 Ų150.174%0.74379%0.791SS**  trans33.2110.3145.5-92.950.3-137.800119.9
279S19.2Very low21Very low98 Ų98148.2 Ų148.269%0.68579%0.786SS**  68.6113.8105.4-156.50000119.3
280S20.2Very low21Very low92 Ų92148 Ų14864%0.64379%0.785SS**  trans43.896.2143.867.90000117.9P282S280-P282 VanDerWaalsContact O-CD 3.29Å; S280-P282 WeakPolarHBondContact O-CD 3.28Å
281R18.8Very low21.1Very low237 Ų237143.8 Ų143.889%0.89478%0.78SS**  trans-66.1119.1142-77.4-172174.8-162.4-2.3107.9
282P22.5Very low21.2Very low107 Ų107143.3 Ų143.370%0.69578%0.778SS**  trans-68.9146.4-179.8-17.331.6000111.4S280 C284S280-P282 VanDerWaalsContact O-CD 3.29Å; S280-P282 WeakPolarHBondContact O-CD 3.28Å; P282-C284 PolarHBondContact O-N 3.24Å
283I21.6Very low20.9Very low171 Ų171146.2 Ų146.288%0.87778%0.775SS**  trans-7699.1162.9-62.1164.9000107.3
284C19.4Very low20.9Very low100 Ų100145.7 Ų145.768%0.67677%0.767SS**  trans-134.8106.9162-77.70000107P282P282-C284 PolarHBondContact O-N 3.24Å
285Q20.8Very low20.9Very low182 Ų182145.9 Ų145.985%0.8577%0.768SS**  61.9103.696.4-71.5-174.4-1200111.9
286G21Very low20.8Very low67 Ų67144.7 Ų144.769%0.69176%0.758SS**SBendtrans-76.1167.6173.900000112.6
287F21.3Very low20.8Very low210 Ų210150.7 Ų150.792%0.92177%0.766SS**  trans62.694.3173.1-64.9-82.3000116.3
288K20.5Very low20.8Very low204 Ų204146.2 Ų146.289%0.88776%0.759SS**  trans-130.8103.2150.7-151.3173.8-172.4-177.70107.9
289V23.7Very low20.9Very low123 Ų123142.6 Ų142.675%0.74575%0.751SS**PPolyproline II helixtrans-72.4144.1168.4174.60000107.5
290I21.9Very low21Very low150 Ų150149.3 Ų149.377%0.76976%0.761SS**PPolyproline II helixtrans-95.2134.2174.1-71.3171.7000108
291D21.9Very low21.1Very low150 Ų150148.4 Ų148.480%0.80277%0.767SS**PPolyproline II helixtrans-73141.2176-53.8-67.2000111.9
292T21.7Very low21.4Very low122 Ų122146.4 Ų146.475%0.74877%0.768SS**  trans-149.7127.7155.415.50000111.9
293Y19.5Very low21.5Very low201 Ų201145.8 Ų145.879%0.78877%0.772SS**  trans73.5105.1162-81.5-97.2000119.9
294T22.4Very low21.7Very low97 Ų97147.3 Ų147.360%0.59577%0.772SS**  48.6138.2117.962.40000119.9
295D20.5Very low22Very low142 Ų142148.2 Ų148.276%0.75978%0.776SS**  cis-160.3162.78-114.2-22.9000114
296E20.4Very low22.2Very low147 Ų147144.6 Ų144.669%0.68777%0.771SS**  trans53.494.3153.2-59.8-148.3135.700121.8
297W18.7Very low22.7Very low218 Ų218146.3 Ų146.383%0.82677%0.77SS**  66.9133.5108.1-105-39.7000122.8
298S21.8Very low22.8Very low93 Ų93144 Ų14465%0.6577%0.767SS**  trans85142137.7-77.50000119
299S21Very low22.9Very low84 Ų84139.8 Ų139.859%0.58776%0.758SS**  cis-172.5150.4-12.2-107.80000109.4
300R21.2Very low23Very low238 Ų238140.4 Ų140.490%0.89877%0.765SS**  trans58.6103.6161.1-54.5162.3-158.4-166.65.3115.2
301G22.2Very low22.9Very low73 Ų73137.9 Ų137.975%0.75376%0.76SS**  cis99.3130.438.100000111.4
302Q25.9Very low22.8Very low196 Ų196135.4 Ų135.492%0.91675%0.754SS**  trans-162.2141.5155.1-109.717427.900112.4
303A24.8Very low22.8Very low94 Ų94136.4 Ų136.478%0.77775%0.753SS**  trans42.9112.5154.500000123.7
304K24.5Very low22.7Very low202 Ų202131.4 Ų131.488%0.87875%0.754SS**  5.8161123.7-68.6179.2179.3178.70120.2
305P26.6Very low22.6Very low119 Ų119133.5 Ų133.577%0.77376%0.76SS**  cis-138-172.5-21.137.4-16.2000115.2
306S25.8Very low22.5Very low106 Ų106133.7 Ų133.774%0.74176%0.761SS**  trans-73.2-173.1175.559.80000115.5
307P30.2Very low22.6Very low104 Ų104135.5 Ų135.568%0.67577%0.769SS**  cis-133.1169.9-28.731.2-13.2000114.3
308N24Very low22.6Very low160 Ų160132.9 Ų132.986%0.85677%0.771SS**  -171.4144.2123.9-101.3-27.6000113.2
309V23.2Very low22.4Very low116 Ų116133.8 Ų133.870%0.70377%0.766SS**  trans-135.8135179.91730000107.8C311V309-C311 HydrophobicContact CG1-CB 4.01Å
310P25.2Very low22.4Very low136 Ų136132.5 Ų132.588%0.88376%0.761SS**  -120.5146.3124.2-5.926.2000112.2
311C19.7Very low22.3Very low98 Ų98123.1 Ų123.166%0.66273%0.731SS**  trans-116.5120.3-168.9-170.50000111.4V309V309-C311 HydrophobicContact CG1-CB 4.01Å
312S20.3Very low22.3Very low97 Ų97124.1 Ų124.168%0.67873%0.727SS**  37.8154.9128-38.10000123.4
313I20.7Very low22.1Very low143 Ų143117.5 Ų117.573%0.73371%0.712SS**  trans83107.8157.8-54.7143.4000114.4
314A18.5Very low22Very low96 Ų96116.6 Ų116.679%0.79371%0.711SS**  cis75.596.636.400000115.1
315I19.6Very low21.8Very low142 Ų142114.1 Ų114.173%0.72871%0.713SS**  trans-138.8112.2171.7-60.9-177.1000112.2
316N18.9Very low21.5Very low146 Ų146115.4 Ų115.478%0.78172%0.719SS**  trans19.8113.8142-56.6-22.9000119.7
317H21.6Very low21.2Very low185 Ų185119.9 Ų119.986%0.85672%0.72SS**  trans-86.2144.9163.1-85.1-99.2000113.1
318N19Very low20.8Very low162 Ų162121.3 Ų121.387%0.86673%0.726SS**  trans-129.4154.1-172.4-110.4-54.4000111.5
319M18.6Very low20.5Very low113 Ų113121.8 Ų121.856%0.55772%0.723SS**  trans-77.8144.7-179.9-70-170.7164.300115.4F1555M319-F1555 HydrophobicContact CE-CD2 4.36Å; M319-F1555 HydrophobicContact CE-CE2 3.78Å; M319-F1555 HydrophobicContact CE-CZ 4.46Å; M319-F1555 HydrophobicContact SD-CD2 3.54Å; M319-F1555 VanDerWaalsContact SD-CD2 3.54Å; M319-F1555 HydrophobicContact SD-CE2 3.51Å; M319-F1555 VanDerWaalsContact SD-CE2 3.51Å
320A19.6Very low20.3Very low56 Ų56127.4 Ų127.446%0.46373%0.734SS.*  trans-166.1-178.815800000110.4
321S19.2Very low20.1Very low41 Ų41130.9 Ų130.929%0.28774%0.735SS.*  -165.4144.7-70.663.10000111.9
322S22.4Very low20.1Very low95 Ų95134 Ų13466%0.66474%0.74SS**  trans65.5137.6140-56.80000123.3R59R59-S322 PolarHBondContact NE-O 2.85Å; R59-S322 PolarHBondContact NH1-O 3.22Å
323G22.4Very low20.3Very low57 Ų57135 Ų13559%0.58874%0.744SS**  trans171.1149.7153.700000109.2
324G21.9Very low20.2Very low75 Ų75136.7 Ų136.777%0.77375%0.754SS**  cis153.1109.80.700000109
325T21.1Very low20.3Very low150 Ų150137.6 Ų137.692%0.9275%0.754SS**  trans-116.4150.8-172.146.60000113.6
326T20.7Very low20.3Very low145 Ų145141.1 Ų141.189%0.8977%0.765SS**  trans-95.5142.7-159.6-24.70000114
327R19.4Very low20.4Very low201 Ų201141.6 Ų141.676%0.75876%0.762SS**  trans-89.1137.7179.5169.1-175.7178.2138.10.6111.1
328V20.4Very low20.3Very low133 Ų133138.3 Ų138.381%0.80676%0.76SS**  trans-107.5142.3165.9177.10000109.6
329Q18.5Very low20.4Very low170 Ų170139.4 Ų139.479%0.79476%0.76SS**  trans-82.8141.3-176-68.5155.1-89.400111.6
330Y19.4Very low20.4Very low235 Ų235143.9 Ų143.992%0.92278%0.776SS**  trans-105.8142.8161.9-95.6-89.4000110
331F19.8Very low20.4Very low208 Ų208147.4 Ų147.491%0.91279%0.792SS**PPolyproline II helixtrans-75.2150.5179-95.1-103.6000112.8
332E20.5Very low20.5Very low163 Ų163152.9 Ų152.976%0.76282%0.817SS**PPolyproline II helixtrans-95.5130176.9-172.6170.2-174.500110
333P23.9Very low20.3Very low120 Ų120158.7 Ų158.778%0.77983%0.826SS**PPolyproline II helixtrans-71.5142177.2-18.332.1000112.9
334L19.6Very low20.2Very low178 Ų178164.4 Ų164.493%0.93284%0.837SS**PPolyproline II helixtrans-60.4132.8-178.9-72.3159.6000112.9
335S20.8Very low20.2Very low115 Ų115169.1 Ų169.180%0.80484%0.839SS**PPolyproline II helixtrans-70.3130.8174.354.90000112.1
336F19.9Very low20.1Very low216 Ų216171.5 Ų171.595%0.94784%0.837SS**PPolyproline II helixtrans-99.5137.7162.2-139.8-92.1000110.5
337Q19.2Very low20.2Very low156 Ų156172.9 Ų172.973%0.72983%0.833SS**PPolyproline II helixtrans-95.4145.6-157.1-158.9164.75.700113
338S19.6Very low20.3Very low115 Ų115169.4 Ų169.480%0.80483%0.834SS**PPolyproline II helixtrans-68.9127.6-176.7-38.10000112.6
339Q20.9Very low20.4Very low186 Ų186170.7 Ų170.787%0.86984%0.835SS**  trans-124.1102.6166.2-118.9168.1-8.300110.8
340K18.8Very low20.7Very low207 Ų207170.6 Ų170.690%0.984%0.837SS**  trans-85.7118.5163.7-71.3177.1175.5178.60107.8
341V21.3Very low20.8Very low130 Ų130163.3 Ų163.379%0.78883%0.833SS**  trans-133.4133.8157.4-179.20000108.9
342L20Very low20.9Very low156 Ų156157.3 Ų157.382%0.81783%0.83SS**  trans-81.5133.4-180-157.385.6000109
343Y18.7Very low20.9Very low217 Ų217155.5 Ų155.585%0.85183%0.831SS**  trans-144.3119.7162.3-137.8-95.4000110.9
344Q19.2Very low20.8Very low176 Ų176159 Ų15982%0.82284%0.836SS**  trans-85.2134.9171.2-71.8178.4-23.100108.9
345Q22.7Very low20.9Very low174 Ų174156.1 Ų156.181%0.81383%0.826SS**  trans-124.396.2176.9-169171-0.300110
346K19.2Very low21Very low201 Ų201157.5 Ų157.587%0.87482%0.822SS**  trans-79.3127.8157.8-79.4-176.9175.4179.70107.7
347H23.2Very low21.3Very low174 Ų174154.2 Ų154.281%0.80681%0.814SS**  trans-152.5118.6151.6-113.3-80000109.9
348T21.4Very low21.6Very low128 Ų128150.4 Ų150.479%0.78582%0.817SS**  trans-111.3124.5169.3-56.10000106.5
349L23Very low22.1Very low159 Ų159150.6 Ų150.683%0.83282%0.815SS**  trans-161.1114147.4-135.281.9000111.5
350M24Very low22.2Very low168 Ų168152.7 Ų152.783%0.82882%0.817SS**  trans37.2121.7134.3-56.2-61.6-84.500121
351G20.4Very low22.5Very low82 Ų82149.8 Ų149.885%0.84581%0.811SS**  85.4117.3114.100000118.1
352G22Very low22.9Very low82 Ų82153.1 Ų153.185%0.84582%0.818SS**  trans17257.3175.800000114.1
353T20.9Very low23.3Very low126 Ų126151.5 Ų151.577%0.77382%0.82SS**  trans-66.5131.5168.246.40000110.4
354H23.1Very low23.7Very low192 Ų192149 Ų14989%0.88982%0.82SS**  trans-158.3149.7139.3-95-60.8000110.6
355T20Very low24.3Very low119 Ų119146.4 Ų146.473%0.7382%0.819SS**  trans-109.5-179.1-161.841.90000112.6
356M23Very low24.7Very low144 Ų144147 Ų14771%0.70982%0.821SS**  trans110.2112.3153.7-53.2-53.8-86.400118.3
357N27.2Very low25.5Very low146 Ų146143.3 Ų143.378%0.78182%0.818SS**  trans78131135.7-58.2-8.1000122.5
358G25.3Very low26.3Very low77 Ų77142 Ų14279%0.79482%0.822SS**  trans126.69714300000117.3
359P29.5Very low27.5Very low118 Ų118146.5 Ų146.577%0.76683%0.826SS**  trans-103.4154.9176.338.1-31.7000113.7
360Y24.3Very low28.8Very low231 Ų231143.5 Ų143.591%0.90681%0.811SS**  trans-161155.2146.2-113.3-76.4000112
361N24.8Very low30.3Very low146 Ų146140.5 Ų140.578%0.78180%0.802SS**  trans-78.6152.8-166.1-63.9-62.9000115.8
362Q29.4Very low31.9Very low200 Ų200140.1 Ų140.194%0.93579%0.786SS**  trans-163.1148.7132.9-109.9167.222.400112.7
363S28.1Very low33.4Very low121 Ų121142.5 Ų142.585%0.84677%0.77SS**  trans-87.7159-166.639.30000114.5
364L26.6Very low35.3Very low165 Ų165139.7 Ų139.786%0.86476%0.755SS**  trans-132.8127.8-173.8-169.372.7000111.5
365P33.2Very low37Very low122 Ų122135.6 Ų135.679%0.79274%0.739SS**PPolyproline II helixtrans-77.2157.9-178.4-16.131.5000115.1
366Q30Very low39.1Very low186 Ų186135.7 Ų135.787%0.86973%0.73SS**PPolyproline II helixtrans-99.9148-177.7-60.6-175.22.800113.3
367P35.9Very low41.2Very low124 Ų124132.4 Ų132.481%0.80572%0.718SS**PPolyproline II helixtrans-96139.117835.6-32.6000114.2
368V39.8Very low42.9Very low147 Ų147129.9 Ų129.989%0.89170%0.701SS**PPolyproline II helixtrans-88.8144.5178.3179.40000111.7
369Y46.9Very low44.6Very low222 Ų222130.7 Ų130.787%0.87168%0.683SS**PPolyproline II helixtrans-99.3125.9179.6-121.2-94.3000111.1V371Y369-V371 PolarHBondContact O-N 3.26Å
370D50.1Low45.8Very low96 Ų96126.8 Ų126.851%0.51366%0.657SS.*  trans-95.295.5-177.6179.619.4000112.9S372D370-S372 VanDerWaalsContact C-N 3.26Å; D370-S372 PolarHBondContact O-N 3.25Å; D370-S372 WeakPolarHBondContact OD1-CB 3.43Å; D370-S372 PolarHBondContact OD1-N 3.12Å; D370-S372 VanDerWaalsContact OD1-N 3.11Å; D370-S372 PolarHBondContact OD1-OG 3.42Å
371V56.7Low47.8Very low104 Ų104121.1 Ų121.163%0.6364%0.639SS**THydrogen-bonded Turntrans-60.9-32.8177176.20000112.4Y369 R373 S374 L375Y369-V371 PolarHBondContact O-N 3.26Å; V371-R373 PolarHBondContact O-N 2.88Å; V371-R373 VanDerWaalsContact O-N 3.08Å; V371-S374 PolarHBondContact O-N 3.07Å; V371-S374 VanDerWaalsContact O-N 3.1Å; V371-L375 HydrophobicContact CG1-CD1 4.48Å
372S54Low49.2Very low75 Ų75118.2 Ų118.252%0.52462%0.622SS.*Hα-helixtrans-56.7-31.8-173.6-30.10000112.9D370D370-S372 VanDerWaalsContact C-N 3.26Å; D370-S372 PolarHBondContact O-N 3.25Å; D370-S372 WeakPolarHBondContact OD1-CB 3.43Å; D370-S372 PolarHBondContact OD1-N 3.12Å; D370-S372 VanDerWaalsContact OD1-N 3.11Å; D370-S372 PolarHBondContact OD1-OG 3.42Å
373R52.7Low50.4Low132 Ų132111.6 Ų111.650%0.49859%0.592SS.*Hα-helixtrans-74.7-31-176.4-167.1171.3178.3171.3-2.5112.9V371 V377 K786V371-R373 PolarHBondContact O-N 2.88Å; V371-R373 VanDerWaalsContact O-N 3.08Å; R373-V377 WeakPolarHBondContact O-CG2 3.32Å; R373-V377 PolarHBondContact O-N 3.36Å; R373-K786 PolarHBondContact NH2-O 3.33Å
374S61.7Low52.1Low66 Ų66111.9 Ų111.946%0.46258%0.578SS.*Hα-helixtrans-71.6-48.3-178.4-155.90000111.4V371 K376 V377 E378V371-S374 PolarHBondContact O-N 3.07Å; V371-S374 VanDerWaalsContact O-N 3.1Å; S374-K376 PolarHBondContact O-N 3.44Å; S374-V377 PolarHBondContact O-N 3.03Å; S374-V377 VanDerWaalsContact O-N 3.13Å; S374-E378 PolarHBondContact O-N 2.82Å
375L58.1Low53.5Low107 Ų107109.6 Ų109.656%0.5656%0.563SS**Hα-helixtrans-59.5-34.8177.6-64.5172.9000112.3V371 E378 K379V371-L375 HydrophobicContact CG1-CD1 4.48Å; L375-E378 PolarHBondContact O-N 2.84Å; L375-K379 PolarHBondContact O-N 3.29Å
376K63.4Low54.3Low121 Ų121110.5 Ų110.553%0.52655%0.55SS.*Hα-helixtrans-71.5-29.8179.7-159161.9-171.6164.20112.8S374 T380S374-K376 PolarHBondContact O-N 3.44Å; K376-T380 WeakPolarHBondContact O-CG2 3.27Å; K376-T380 PolarHBondContact O-N 2.84Å
377V67.4Low55.5Low75 Ų75105.9 Ų105.946%0.45554%0.538SS..Hα-helixtrans-69.4-51.1171.6175.80000109.8R373 S374 K379 T380 E381R373-V377 WeakPolarHBondContact O-CG2 3.32Å; R373-V377 PolarHBondContact O-N 3.36Å; S374-V377 PolarHBondContact O-N 3.03Å; S374-V377 VanDerWaalsContact O-N 3.13Å; V377-K379 VanDerWaalsContact C-N 3.35Å; V377-K379 PolarHBondContact O-N 3.36Å; V377-T380 PolarHBondContact O-N 3.37Å; V377-T380 PolarHBondContact O-OG1 2.87Å; V377-E381 HydrophobicContact CG1-CG 4.47Å; V377-E381 PolarHBondContact O-N 3.11Å
378E63.7Low56.1Low93 Ų93107.1 Ų107.144%0.43554%0.535SS..Hα-helixtrans-55.3-45.6-179.7-174.4172.4-159.600112.3S374 L375 T380 E381 L382S374-E378 PolarHBondContact O-N 2.82Å; L375-E378 PolarHBondContact O-N 2.84Å; E378-T380 VanDerWaalsContact C-N 3.35Å; E378-T380 PolarHBondContact O-N 2.84Å; E378-E381 PolarHBondContact O-N 3.09Å; E378-L382 HydrophobicContact CG-CD1 4.41Å; E378-L382 PolarHBondContact O-N 3.17Å
379K60.4Low56.8Low93 Ų93103.1 Ų103.140%0.40451%0.511SS..Hα-helixtrans-55.3-46.9173.5-176.5174.5177.1176.50112.1L375 V377 E381 L382 E383L375-K379 PolarHBondContact O-N 3.29Å; V377-K379 VanDerWaalsContact C-N 3.35Å; V377-K379 PolarHBondContact O-N 3.36Å; K379-E381 VanDerWaalsContact C-N 3.32Å; K379-E381 PolarHBondContact O-N 3.35Å; K379-L382 PolarHBondContact O-N 3.4Å; K379-E383 WeakPolarHBondContact CE-OE1 3.38Å; K379-E383 WeakPolarHBondContact CG-OE1 3.44Å; K379-E383 VanDerWaalsContact O-CG 3.32Å; K379-E383 WeakPolarHBondContact O-CG 3.44Å; K379-E383 PolarHBondContact O-N 3.01Å
380T55.7Low56.9Low37 Ų3799.8 Ų99.823%0.22750%0.497CS..Hα-helixtrans-72.2-20.7-179.363.50000114.4K376 V377 E378 K384K376-T380 WeakPolarHBondContact O-CG2 3.27Å; K376-T380 PolarHBondContact O-N 2.84Å; V377-T380 PolarHBondContact O-N 3.37Å; V377-T380 PolarHBondContact O-OG1 2.87Å; E378-T380 VanDerWaalsContact C-N 3.35Å; E378-T380 PolarHBondContact O-N 2.84Å; T380-K384 VanDerWaalsContact O-CD 3.31Å; T380-K384 WeakPolarHBondContact O-CD 3.46Å; T380-K384 VanDerWaalsContact O-CG 3.22Å; T380-K384 WeakPolarHBondContact O-CG 3.25Å; T380-K384 PolarHBondContact O-N 3.42Å
381E65.4Low57.7Low112 Ų112101 Ų10152%0.52349%0.494SS..Hα-helixtrans-78.3-44.9173.5-69.6-171.5153.900110.6V377 E378 K379 E383 K384 E385V377-E381 HydrophobicContact CG1-CG 4.47Å; V377-E381 PolarHBondContact O-N 3.11Å; E378-E381 PolarHBondContact O-N 3.09Å; K379-E381 VanDerWaalsContact C-N 3.32Å; K379-E381 PolarHBondContact O-N 3.35Å; E381-E383 PolarHBondContact O-N 3.16Å; E381-K384 WeakPolarHBondContact O-CB 3.49Å; E381-K384 PolarHBondContact O-N 2.71Å; E381-K384 VanDerWaalsContact O-N 3.14Å; E381-E385 PolarHBondContact O-N 3Å
382L53.9Low57.8Low84 Ų84102.4 Ų102.444%0.4449%0.488SS..Hα-helixtrans-57.6-46.7171.5-68.3169.3000111.4E378 K379 K384 E385 W386E378-L382 HydrophobicContact CG-CD1 4.41Å; E378-L382 PolarHBondContact O-N 3.17Å; K379-L382 PolarHBondContact O-N 3.4Å; L382-K384 VanDerWaalsContact C-N 3.26Å; L382-K384 PolarHBondContact O-N 2.97Å; L382-E385 PolarHBondContact O-N 3.47Å; L382-W386 WeakPolarHBondContact O-CB 3.45Å; L382-W386 PolarHBondContact O-N 2.95Å
383E55.5Low58.4Low62 Ų62102.7 Ų102.729%0.2948%0.481SS..Hα-helixtrans-58-35.5176.5-75.3169.2178.100113K379 E381 S387K379-E383 WeakPolarHBondContact CE-OE1 3.38Å; K379-E383 WeakPolarHBondContact CG-OE1 3.44Å; K379-E383 VanDerWaalsContact O-CG 3.32Å; K379-E383 WeakPolarHBondContact O-CG 3.44Å; K379-E383 PolarHBondContact O-N 3.01Å; E381-E383 PolarHBondContact O-N 3.16Å; E383-S387 VanDerWaalsContact O-CB 3.3Å; E383-S387 WeakPolarHBondContact O-CB 3.39Å; E383-S387 PolarHBondContact O-N 3.47Å; E383-S387 PolarHBondContact O-OG 3.26Å
384K62.4Low59.4Low127 Ų12796.4 Ų96.455%0.55246%0.458SS*.Hα-helixtrans-71.4-45.4174.8-72.3164.2-169.3163.20112.1T380 E381 L382 W386 S387 M388T380-K384 VanDerWaalsContact O-CD 3.31Å; T380-K384 WeakPolarHBondContact O-CD 3.46Å; T380-K384 VanDerWaalsContact O-CG 3.22Å; T380-K384 WeakPolarHBondContact O-CG 3.25Å; T380-K384 PolarHBondContact O-N 3.42Å; E381-K384 WeakPolarHBondContact O-CB 3.49Å; E381-K384 PolarHBondContact O-N 2.71Å; E381-K384 VanDerWaalsContact O-N 3.14Å; L382-K384 VanDerWaalsContact C-N 3.26Å; L382-K384 PolarHBondContact O-N 2.97Å; K384-W386 VanDerWaalsContact C-N 3.31Å; K384-W386 PolarHBondContact O-N 3.31Å; K384-S387 PolarHBondContact O-N 2.7Å; K384-M388 WeakPolarHBondContact O-CG 3.38Å; K384-M388 PolarHBondContact O-N 3.21Å; K384-M388 VanDerWaalsContact O-N 3.15Å
385E56.9Low59.6Low117 Ų11796.2 Ų96.255%0.54745%0.451SS..Hα-helixtrans-58.8-44.7176-71.9-17115700111.2E381 L382 S387 M388 V389E381-E385 PolarHBondContact O-N 3Å; L382-E385 PolarHBondContact O-N 3.47Å; E385-S387 VanDerWaalsContact C-N 3.34Å; E385-S387 PolarHBondContact O-N 3.09Å; E385-M388 HydrophobicContact CG-CE 4.41Å; E385-M388 PolarHBondContact O-N 3Å; E385-M388 VanDerWaalsContact O-N 3.15Å; E385-V389 PolarHBondContact O-N 2.89Å
386W50.5Low59.8Low140 Ų14097.1 Ų97.153%0.5345%0.453SS..Hα-helixtrans-67.3-35.8179.3-71.440.6000111.6L382 K384 M388 V389L382-W386 WeakPolarHBondContact O-CB 3.45Å; L382-W386 PolarHBondContact O-N 2.95Å; K384-W386 VanDerWaalsContact C-N 3.31Å; K384-W386 PolarHBondContact O-N 3.31Å; W386-M388 VanDerWaalsContact C-N 3.25Å; W386-M388 PolarHBondContact O-N 2.87Å; W386-V389 WeakPolarHBondContact O-CB 3.43Å; W386-V389 PolarHBondContact O-N 3.17Å
387S53.8Low59.8Low89 Ų8991.9 Ų91.962%0.62243%0.43SS*.Hα-helixtrans-66.3-23.4173.8-62.80000113.7E383 K384 E385E383-S387 VanDerWaalsContact O-CB 3.3Å; E383-S387 WeakPolarHBondContact O-CB 3.39Å; E383-S387 PolarHBondContact O-N 3.47Å; E383-S387 PolarHBondContact O-OG 3.26Å; K384-S387 PolarHBondContact O-N 2.7Å; E385-S387 VanDerWaalsContact C-N 3.34Å; E385-S387 PolarHBondContact O-N 3.09Å
388M49.8Very low59.5Low150 Ų15093.4 Ų93.474%0.73944%0.444SS*.Hα-helixtrans-80.7-16.7174.3-70.6-173.6-72.700113.3K384 E385 W386 R390K384-M388 WeakPolarHBondContact O-CG 3.38Å; K384-M388 PolarHBondContact O-N 3.21Å; K384-M388 VanDerWaalsContact O-N 3.15Å; E385-M388 HydrophobicContact CG-CE 4.41Å; E385-M388 PolarHBondContact O-N 3Å; E385-M388 VanDerWaalsContact O-N 3.15Å; W386-M388 VanDerWaalsContact C-N 3.25Å; W386-M388 PolarHBondContact O-N 2.87Å; M388-R390 PolarHBondContact O-N 2.97Å
389V54.4Low59.7Low63 Ų6391.6 Ų91.638%0.38244%0.438SS..SBendtrans-73.8121174.7-177.50000109.1E385 W386 R391E385-V389 PolarHBondContact O-N 2.89Å; W386-V389 WeakPolarHBondContact O-CB 3.43Å; W386-V389 PolarHBondContact O-N 3.17Å; V389-R391 PolarHBondContact O-N 3.39Å
390R49.3Very low60.1Low152 Ų15288.6 Ų88.657%0.57443%0.426SS*.PPolyproline II helixtrans-57134.9173.1-70.4-165.3-164.8167.612.6109.9M388M388-R390 PolarHBondContact O-N 2.97Å
391R65.1Low61.1Low122 Ų12290.3 Ų90.346%0.4644%0.436SS..PPolyproline II helixtrans-56.9143.5167.7-67.7179.9171.671.811110.1V389 R1147 I1149 S1152V389-R391 PolarHBondContact O-N 3.39Å; R391-R1147 WeakPolarHBondContact CA-O 3.41Å; R391-R1147 VanDerWaalsContact CB-O 3.32Å; R391-R1147 WeakPolarHBondContact CB-O 3.48Å; R391-R1147 WeakPolarHBondContact CG-O 3.32Å; R391-I1149 HydrophobicContact CB-CG1 3.93Å; R391-S1152 PolarHBondContact NE-OG 3.45Å
392R59.7Low61.6Low133 Ų13387.7 Ų87.750%0.50243%0.429SS..BIsolated β-bridgetrans-121.5169.2176.1-64-168.7-178.5-174.8-1109.4D394 E396 L397 R1147 I1149R392-D394 PolarHBondContact O-N 3.12Å; R392-E396 HydrophobicContact CB-CB 4.44Å; R392-L397 HydrophobicContact CB-CD2 4.15Å; R392-R1147 PolarHBondContact N-O 3.39Å; R392-I1149 WeakPolarHBondContact O-CG1 3.44Å; R392-I1149 PolarHBondContact O-N 3.49Å
393E66.9Low62.9Low81 Ų8184 Ų8438%0.37941%0.409SS..  trans-56.7136.8166-73.4-55.3141.200109.6L395 E396 I1149 R1150E393-L395 PolarHBondContact O-N 2.82Å; E393-L395 VanDerWaalsContact O-N 3.14Å; E393-E396 HydrophobicContact CB-CG 4.01Å; E393-E396 WeakPolarHBondContact O-CB 3.26Å; E393-E396 PolarHBondContact O-N 3.33Å; E393-I1149 WeakPolarHBondContact OE1-CD1 3.45Å; E393-R1150 IonicContact OE2-NH1 3.43Å; E393-R1150 PolarHBondContact OE2-NH1 3.27Å
394D73.8Confident64.1Low0 Ų082.8 Ų82.80%041%0.407CS..G310 helixtrans-62.5-31.9-162.8-58.628.4000111.5R392 L400 R889 G1148 I1149 R1150 E1151R392-D394 PolarHBondContact O-N 3.12Å; D394-L400 WeakPolarHBondContact O-CD2 3.32Å; D394-R889 HydrophobicContact CB-CB 3.78Å; D394-G1148 WeakPolarHBondContact OD1-CA 3.49Å; D394-I1149 PolarHBondContact OD1-N 3.24Å; D394-R1150 PolarHBondContact OD1-N 3.44Å; D394-R1150 VanDerWaalsContact OD1-N 3.17Å; D394-R1150 WeakPolarHBondContact OD2-CB 3.33Å; D394-R1150 PolarHBondContact OD2-N 3.28Å; D394-R1150 VanDerWaalsContact OD2-N 3.13Å; D394-E1151 WeakPolarHBondContact OD2-CG 3.18Å; D394-E1151 PolarHBondContact OD2-N 3.47Å
395L65.9Low64.7Low63 Ų6383.6 Ų83.633%0.3341%0.413SS..G310 helixtrans-79.5-10.2176.1-64.5172.5000114.6E393 L397 R889 F890E393-L395 PolarHBondContact O-N 2.82Å; E393-L395 VanDerWaalsContact O-N 3.14Å; L395-L397 VanDerWaalsContact C-N 3.29Å; L395-R889 HydrophobicContact CD2-CB 3.99Å; L395-R889 HydrophobicContact CD2-CG 4.4Å; L395-R889 HydrophobicContact CG-CB 4.37Å; L395-F890 HydrophobicContact CD2-CE1 4.44Å
396E61.7Low66Low126 Ų12679.6 Ų79.659%0.58939%0.394SS*.G310 helixtrans-85.2-0.6174.9-65.6-174.9162.900113.3R392 E393R392-E396 HydrophobicContact CB-CB 4.44Å; E393-E396 HydrophobicContact CB-CG 4.01Å; E393-E396 WeakPolarHBondContact O-CB 3.26Å; E393-E396 PolarHBondContact O-N 3.33Å
397L63.3Low67.5Low10 Ų1074.4 Ų74.45%0.05238%0.381CS..  trans-84138.5-179.1-61.1173000110.3R392 L395 L400 N1145 R1147R392-L397 HydrophobicContact CB-CD2 4.15Å; L395-L397 VanDerWaalsContact C-N 3.29Å; L397-L400 HydrophobicContact CB-CD2 4.04Å; L397-L400 WeakPolarHBondContact O-CG 3.45Å; L397-N1145 HydrophobicContact CD1-CB 4.08Å; L397-R1147 HydrophobicContact CD1-CB 4.1Å; L397-R1147 HydrophobicContact CD2-CB 4.08Å
398S60.9Low68.9Low108 Ų10877 Ų7776%0.75538%0.38SS*.SBendtrans-85.3-15.5177.951.90000113.1
399D67.7Low70.7Confident55 Ų5570.5 Ų70.529%0.29435%0.348SS..  trans-103.246.9-172.447.1-54.1000111.3N1145 R1147D399-N1145 PolarHBondContact O-ND2 3.43Å; D399-N1145 VanDerWaalsContact O-ND2 3.07Å; D399-N1145 PolarHBondContact OD2-ND2 2.9Å; D399-R1147 IonicContact OD1-CZ 3.99Å; D399-R1147 IonicContact OD1-NH1 2.83Å; D399-R1147 PolarHBondContact OD1-NH1 2.88Å; D399-R1147 IonicContact OD2-CZ 3.48Å; D399-R1147 IonicContact OD2-NH1 2.71Å; D399-R1147 PolarHBondContact OD2-NH1 3.01Å
400L68.5Low72Confident30 Ų3068.7 Ų68.716%0.15734%0.338CS..PPolyproline II helixtrans-83128.7178.9-61.2177.5000111.5D394 L397 A1022D394-L400 WeakPolarHBondContact O-CD2 3.32Å; L397-L400 HydrophobicContact CB-CD2 4.04Å; L397-L400 WeakPolarHBondContact O-CG 3.45Å; L400-A1022 HydrophobicContact CB-CB 3.56Å
401V76.6Confident73.6Confident73 Ų7363 Ų6344%0.44232%0.321SS..PPolyproline II helixtrans-97.5144.6169.4-176.70000107.8L403 R889V401-L403 PolarHBondContact O-N 2.69Å; V401-R889 PolarHBondContact O-NH2 3.49Å
402P75.8Confident74.5Confident56 Ų5661.3 Ų61.336%0.36433%0.328SS..PPolyproline II helixtrans-56.1137169.1-26.537000111.2P1021 S1143P402-P1021 HydrophobicContact CG-CB 3.51Å; P402-S1143 WeakPolarHBondContact O-CB 3.35Å
403L82.8Confident75.9Confident6 Ų655.7 Ų55.73%0.03131%0.308CS..PPolyproline II helixtrans-73.5154.3165.3-64.2177.8000108.9V401 D888 R889 F890 Q1025 S1143 L1144V401-L403 PolarHBondContact O-N 2.69Å; L403-D888 HydrophobicContact CD1-CB 3.9Å; L403-D888 WeakPolarHBondContact CD1-OD2 3.35Å; L403-R889 HydrophobicContact CD1-CG 4.16Å; L403-F890 HydrophobicContact CD1-CD2 3.77Å; L403-F890 HydrophobicContact CD1-CE2 3.77Å; L403-F890 HydrophobicContact CG-CE2 4.4Å; L403-Q1025 PolarHBondContact O-NE2 3.06Å; L403-S1143 VanDerWaalsContact CD2-OG 3.28Å; L403-S1143 WeakPolarHBondContact CD2-OG 3.43Å; L403-L1144 HydrophobicContact CD2-CD2 4.09Å
404P80.2Confident76.9Confident37 Ų3754.5 Ų54.524%0.2431%0.309CS..PPolyproline II helixtrans-55.8148.5171.7-20.131.1000111.3F406 L1140P404-F406 HydrophobicContact CB-CD1 4.33Å; P404-F406 HydrophobicContact CB-CE1 3.8Å; P404-F406 HydrophobicContact CG-CE1 4.27Å; P404-L1140 HydrophobicContact CG-CD1 4.4Å
405E75.2Confident77.4Confident145 Ų14556.8 Ų56.868%0.67832%0.324SS*.PPolyproline II helixtrans-77.1138.5166.1-65.8-173.1164.100107.9K1028E405-K1028 IonicContact OE1-NZ 3.46Å; E405-K1028 PolarHBondContact OE1-NZ 3.4Å
406F84.4Confident78.3Confident33 Ų3356.5 Ų56.515%0.14532%0.322CS..  trans-110.7141.2-176.1-55.2-43000110.1P404 R892 Y894 I905 L1046P404-F406 HydrophobicContact CB-CD1 4.33Å; P404-F406 HydrophobicContact CB-CE1 3.8Å; P404-F406 HydrophobicContact CG-CE1 4.27Å; F406-R892 VanDerWaalsContact CE2-CZ 3.49Å; F406-R892 VanDerWaalsContact CE2-NH2 3.29Å; F406-Y894 HydrophobicContact CE2-CE1 4.18Å; F406-Y894 WeakPolarHBondContact CE2-OH 3.17Å; F406-Y894 AromaticContact CZ-CE1 3.92Å; F406-Y894 HydrophobicContact CZ-CE1 3.92Å; F406-Y894 AromaticContact CZ-CZ 3.99Å; F406-Y894 VanDerWaalsContact CZ-OH 3.28Å; F406-Y894 WeakPolarHBondContact CZ-OH 3.25Å; F406-I905 HydrophobicContact CD1-CD1 4.29Å; F406-I905 HydrophobicContact CD2-CB 4.11Å; F406-I905 HydrophobicContact CD2-CD1 4.04Å; F406-I905 HydrophobicContact CD2-CG1 3.95Å; F406-I905 HydrophobicContact CD2-CG2 4Å; F406-I905 HydrophobicContact CE2-CB 4.32Å; F406-I905 HydrophobicContact CE2-CD1 4.28Å; F406-I905 HydrophobicContact CE2-CG1 3.88Å; F406-I905 HydrophobicContact CE2-CG2 3.95Å; F406-I905 HydrophobicContact CG-CD1 4.06Å; F406-I905 HydrophobicContact CG-CG1 4.48Å; F406-I905 HydrophobicContact CZ-CG1 4.38Å; F406-L1046 HydrophobicContact CD1-CD1 4.03Å; F406-L1046 HydrophobicContact CE1-CD1 3.75Å
407A81.5Confident79.6Confident31 Ų3151.1 Ų51.126%0.25630%0.297SS..EExtended strand (participates in β ladder)trans-72.1144.9174.500000109.6S1044 I1045 I1047 T1180A407-S1044 CarbonylContact O-C 3.56Å; A407-S1044 WeakPolarHBondContact O-CA 3.5Å; A407-S1044 WeakPolarHBondContact O-CB 3.36Å; A407-I1045 HydrophobicContact CB-CG2 4.14Å; A407-I1045 PolarHBondContact N-O 2.73Å; A407-I1045 WeakPolarHBondContact O-CG2 3.41Å; A407-I1045 PolarHBondContact O-N 2.68Å; A407-I1047 HydrophobicContact CB-CD1 4.27Å; A407-T1180 HydrophobicContact CB-CG2 4.4Å
408K83.9Confident80.9Confident142 Ų14251 Ų5162%0.61730%0.297SS*.EExtended strand (participates in β ladder)trans-62.6143.6171.9-70-175.8176.4-176.90110T1180K408-T1180 WeakPolarHBondContact O-CG2 3.47Å
409F86.8Confident82.3Confident14 Ų1446.9 Ų46.96%0.06127%0.271CS..PPolyproline II helixtrans-69.4128173.2-174.1-104.8000109.8S411 I418 L422 L461 L904 W1043 I1176F409-S411 PolarHBondContact O-N 3.28Å; F409-I418 HydrophobicContact CD1-CD1 4.39Å; F409-I418 HydrophobicContact CD1-CG2 3.88Å; F409-I418 HydrophobicContact CE1-CG2 3.94Å; F409-L422 HydrophobicContact CZ-CD2 4.22Å; F409-L461 HydrophobicContact CE1-CD2 4.02Å; F409-L461 HydrophobicContact CZ-CD2 3.58Å; F409-L904 HydrophobicContact CD2-CD2 3.45Å; F409-L904 VanDerWaalsContact CD2-CD2 3.45Å; F409-L904 HydrophobicContact CE2-CD2 3.64Å; F409-L904 HydrophobicContact CG-CD2 4.36Å; F409-W1043 HydrophobicContact CB-CB 3.85Å; F409-W1043 PolarHBondContact N-O 3.04Å; F409-I1176 HydrophobicContact CE2-CG2 4.44Å
410P81.2Confident83.3Confident26 Ų2646.2 Ų46.217%0.16927%0.271CS..  trans-85.1109.2179.532.4-31.2000110.4I1176 A1179 T1180P410-I1176 HydrophobicContact CG-CB 4.42Å; P410-I1176 HydrophobicContact CG-CG2 3.99Å; P410-A1179 HydrophobicContact CB-CB 3.6Å; P410-A1179 HydrophobicContact CG-CB 4.02Å; P410-T1180 HydrophobicContact CB-CG2 4.42Å; P410-T1180 HydrophobicContact CG-CG2 4.09Å
411S83.7Confident84.4Confident32 Ų3244.9 Ų44.922%0.22427%0.265CS..  trans-145.9146176.256.90000110F409 L413 I418 E465F409-S411 PolarHBondContact O-N 3.28Å; S411-L413 VanDerWaalsContact C-N 3.26Å; S411-I418 WeakPolarHBondContact OG-CD1 3.46Å; S411-I418 WeakPolarHBondContact OG-CG1 3.34Å; S411-E465 VanDerWaalsContact CA-OE1 3.29Å; S411-E465 WeakPolarHBondContact CA-OE1 3.49Å; S411-E465 WeakPolarHBondContact CB-OE1 3.42Å
412S83.7Confident85.1Confident87 Ų8741.5 Ų41.561%0.60824%0.244SC*.SBendtrans-81.8-8.3175.8-49.70000113E465S412-E465 VanDerWaalsContact CB-OE2 3.32Å; S412-E465 WeakPolarHBondContact CB-OE2 3.41Å; S412-E465 PolarHBondContact N-OE2 3.23Å; S412-E465 PolarHBondContact OG-OE2 3.43Å
413L88.7Confident85.7Confident14 Ų1442.5 Ų42.57%0.07324%0.244CC..SBendtrans-83.2161.1-179.1-59.5178000112.8S411 D417 I418 A421 E465 L468 L469 P702 L706S411-L413 VanDerWaalsContact C-N 3.26Å; L413-D417 HydrophobicContact CB-CB 4.34Å; L413-I418 HydrophobicContact CB-CG1 4.48Å; L413-A421 HydrophobicContact CD1-CB 3.6Å; L413-E465 HydrophobicContact CD1-CG 4.07Å; L413-E465 HydrophobicContact CG-CG 4.04Å; L413-L468 HydrophobicContact CD1-CD1 4.18Å; L413-L468 HydrophobicContact CD2-CB 4.43Å; L413-L468 HydrophobicContact CD2-CD1 4.37Å; L413-L469 HydrophobicContact CD2-CG 4.46Å; L413-P702 HydrophobicContact CD2-CB 4.16Å; L413-L706 HydrophobicContact CD1-CD1 4.41Å
414S88.6Confident86.2Confident57 Ų5742.2 Ų42.240%0.39924%0.242SC..  trans-60142.6170.5-1760000110.5D416 D417 I418S414-D416 PolarHBondContact O-N 3.39Å; S414-D416 VanDerWaalsContact O-N 3.12Å; S414-D417 WeakPolarHBondContact CB-OD2 3.38Å; S414-D417 WeakPolarHBondContact O-CB 3.46Å; S414-D417 PolarHBondContact O-N 3.28Å; S414-I418 PolarHBondContact O-N 2.89Å
415P83.3Confident86.6Confident48 Ų4840.5 Ų40.531%0.31223%0.231SC..Hα-helixtrans-55.4-34.8-178.5-27.335000114.7D417 T1041 W1043P415-D417 VanDerWaalsContact C-N 3.27Å; P415-D417 PolarHBondContact O-N 2.87Å; P415-T1041 WeakPolarHBondContact CB-O 3.35Å; P415-T1041 PolarHBondContact O-OG1 2.73Å; P415-W1043 PolarHBondContact O-NE1 3.37Å
416D85Confident87.2Confident57 Ų5734.1 Ų34.131%0.30520%0.201SC..Hα-helixtrans-74.4-14.4178.5-66.7-20.5000113.1S414 R909 T1041S414-D416 PolarHBondContact O-N 3.39Å; S414-D416 VanDerWaalsContact O-N 3.12Å; D416-R909 IonicContact OD1-NH2 2.69Å; D416-R909 IonicContact OD2-CZ 2.7Å; D416-R909 IonicContact OD2-NH2 3.29Å; D416-R909 PolarHBondContact OD2-NH2 3.04Å; D416-T1041 WeakPolarHBondContact OD1-CB 3.29Å; D416-T1041 WeakPolarHBondContact OD1-CG2 3.5Å; D416-T1041 PolarHBondContact OD1-N 2.91Å; D416-T1041 PolarHBondContact OD1-OG1 3.38Å
417D90.5Very high87.4Confident12 Ų1233 Ų336%0.06420%0.196CC..Hα-helixtrans-92.3-23.9178-71.7-32.6000113.7L413 S414 P415 G419 S420 A421 H703 L706L413-D417 HydrophobicContact CB-CB 4.34Å; S414-D417 WeakPolarHBondContact CB-OD2 3.38Å; S414-D417 WeakPolarHBondContact O-CB 3.46Å; S414-D417 PolarHBondContact O-N 3.28Å; P415-D417 VanDerWaalsContact C-N 3.27Å; P415-D417 PolarHBondContact O-N 2.87Å; D417-G419 VanDerWaalsContact C-N 3.28Å; D417-G419 PolarHBondContact O-N 3.5Å; D417-S420 PolarHBondContact O-N 3.42Å; D417-A421 PolarHBondContact O-N 3.06Å; D417-A421 VanDerWaalsContact O-N 3.07Å; D417-H703 IonicContact OD1-CE1 2.7Å; D417-H703 IonicContact OD1-CG 3.96Å; D417-H703 IonicContact OD1-ND1 2.7Å; D417-H703 PolarHBondContact OD1-ND1 3.5Å; D417-L706 HydrophobicContact CB-CD1 3.71Å
418I90.7Very high87.7Confident8 Ų832.2 Ų32.24%0.04119%0.188CC..Hα-helixtrans-55.2-43.3-174.1-65170000111.4F409 S411 L413 S414 A421 L422 W1043F409-I418 HydrophobicContact CD1-CD1 4.39Å; F409-I418 HydrophobicContact CD1-CG2 3.88Å; F409-I418 HydrophobicContact CE1-CG2 3.94Å; S411-I418 WeakPolarHBondContact OG-CD1 3.46Å; S411-I418 WeakPolarHBondContact OG-CG1 3.34Å; L413-I418 HydrophobicContact CB-CG1 4.48Å; S414-I418 PolarHBondContact O-N 2.89Å; I418-A421 PolarHBondContact O-N 2.77Å; I418-L422 HydrophobicContact CG2-CD1 3.67Å; I418-L422 HydrophobicContact CG2-CG 4.27Å; I418-L422 WeakPolarHBondContact O-CB 3.25Å; I418-L422 VanDerWaalsContact O-CG 3.29Å; I418-L422 WeakPolarHBondContact O-CG 3.46Å; I418-L422 PolarHBondContact O-N 2.85Å; I418-W1043 HydrophobicContact CB-CD2 4.35Å; I418-W1043 HydrophobicContact CB-CG 4.12Å; I418-W1043 HydrophobicContact CD1-CB 4.07Å; I418-W1043 HydrophobicContact CD1-CG 4.03Å; I418-W1043 HydrophobicContact CG2-CB 4.37Å; I418-W1043 HydrophobicContact CG2-CD2 3.9Å; I418-W1043 HydrophobicContact CG2-CE3 4.4Å; I418-W1043 HydrophobicContact CG2-CG 3.85Å
419G88.9Confident87.8Confident21 Ų2128.1 Ų28.122%0.21617%0.171CC..Hα-helixtrans-60.5-47.9-178.700000112.9D417 L422 Q423 W1043D417-G419 VanDerWaalsContact C-N 3.28Å; D417-G419 PolarHBondContact O-N 3.5Å; G419-L422 PolarHBondContact O-N 2.7Å; G419-Q423 WeakPolarHBondContact O-CB 3.26Å; G419-Q423 PolarHBondContact O-N 2.95Å; G419-W1043 VanDerWaalsContact CA-CZ2 3.46Å
420S90.2Very high87.7Confident42 Ų4228.2 Ų28.229%0.29417%0.172SC..Hα-helixtrans-66-39.7178-58.40000112.1D417 Q423 L424D417-S420 PolarHBondContact O-N 3.42Å; S420-Q423 PolarHBondContact O-N 3.36Å; S420-L424 WeakPolarHBondContact O-CB 3.36Å; S420-L424 PolarHBondContact O-N 3.3Å
421A91.7Very high87.9Confident2 Ų227.5 Ų27.52%0.01717%0.167CC..Hα-helixtrans-62.6-42175.300000112.2L413 D417 I418 L424 L425 L464 L706L413-A421 HydrophobicContact CD1-CB 3.6Å; D417-A421 PolarHBondContact O-N 3.06Å; D417-A421 VanDerWaalsContact O-N 3.07Å; I418-A421 PolarHBondContact O-N 2.77Å; A421-L424 PolarHBondContact O-N 3.47Å; A421-L425 VanDerWaalsContact O-CB 3.31Å; A421-L425 WeakPolarHBondContact O-CB 3.25Å; A421-L425 PolarHBondContact O-N 3.22Å; A421-L464 WeakPolarHBondContact O-CD2 3.21Å; A421-L706 HydrophobicContact CB-CD1 4.21Å; A421-L706 HydrophobicContact CB-CD2 4Å
422L89.7Confident87.9Confident1 Ų126.1 Ų26.11%0.00516%0.157CC..Hα-helixtrans-68.5-38.3176.2-71.5168.4000112.8F409 I418 G419 L425 E426 L461 V900 L904 W1043F409-L422 HydrophobicContact CZ-CD2 4.22Å; I418-L422 HydrophobicContact CG2-CD1 3.67Å; I418-L422 HydrophobicContact CG2-CG 4.27Å; I418-L422 WeakPolarHBondContact O-CB 3.25Å; I418-L422 VanDerWaalsContact O-CG 3.29Å; I418-L422 WeakPolarHBondContact O-CG 3.46Å; I418-L422 PolarHBondContact O-N 2.85Å; G419-L422 PolarHBondContact O-N 2.7Å; L422-L425 PolarHBondContact O-N 2.81Å; L422-E426 WeakPolarHBondContact O-CB 3.37Å; L422-E426 PolarHBondContact O-N 3.34Å; L422-L461 HydrophobicContact CD2-CD1 4.4Å; L422-V900 HydrophobicContact CD2-CG2 4.31Å; L422-L904 HydrophobicContact CD1-CD1 3.37Å; L422-L904 HydrophobicContact CD2-CD1 4.45Å; L422-W1043 HydrophobicContact CD1-CE3 4.44Å; L422-W1043 HydrophobicContact CD1-CZ3 4.33Å
423Q90Very high87.8Confident77 Ų7726.2 Ų26.236%0.3616%0.156SC..Hα-helixtrans-62-46.1174.8-173.8-177.1-2.900111.1G419 S420 E426 F427 M713 M882G419-Q423 WeakPolarHBondContact O-CB 3.26Å; G419-Q423 PolarHBondContact O-N 2.95Å; S420-Q423 PolarHBondContact O-N 3.36Å; Q423-E426 PolarHBondContact O-N 2.85Å; Q423-F427 WeakPolarHBondContact O-CB 3.36Å; Q423-F427 PolarHBondContact O-N 3.14Å; Q423-M713 HydrophobicContact CG-CE 3.89Å; Q423-M713 HydrophobicContact CG-SD 4.06Å; Q423-M713 VanDerWaalsContact NE2-CE 3.34Å; Q423-M882 HydrophobicContact CB-SD 4.23Å; Q423-M882 HydrophobicContact CG-SD 4.41Å
424L91.5Very high87.3Confident1 Ų130 Ų301%0.00517%0.173CC..Hα-helixtrans-62-43174.7-179.264.8000111.6S420 A421 F427 L428 L464 M484 L706 L709 M713S420-L424 WeakPolarHBondContact O-CB 3.36Å; S420-L424 PolarHBondContact O-N 3.3Å; A421-L424 PolarHBondContact O-N 3.47Å; L424-F427 PolarHBondContact O-N 2.91Å; L424-L428 HydrophobicContact CD1-CD1 4.2Å; L424-L428 HydrophobicContact CD1-CG 4.29Å; L424-L428 HydrophobicContact CG-CD1 4.03Å; L424-L428 HydrophobicContact CG-CG 4.49Å; L424-L428 WeakPolarHBondContact O-CB 3.3Å; L424-L428 VanDerWaalsContact O-CG 3.25Å; L424-L428 WeakPolarHBondContact O-CG 3.39Å; L424-L428 PolarHBondContact O-N 3.34Å; L424-L464 HydrophobicContact CD2-CD1 4.22Å; L424-M484 HydrophobicContact CD1-CE 4.3Å; L424-M484 HydrophobicContact CD1-SD 4.34Å; L424-L706 HydrophobicContact CD2-CD2 4.36Å; L424-L709 HydrophobicContact CD1-CB 4.5Å; L424-L709 HydrophobicContact CD2-CB 3.72Å; L424-L709 HydrophobicContact CD2-CD1 3.95Å; L424-L709 HydrophobicContact CD2-CG 4.37Å; L424-M713 HydrophobicContact CD1-CB 4.28Å; L424-M713 HydrophobicContact CD1-SD 4.41Å
425L88.9Confident87Confident1 Ų127.9 Ų27.91%0.00516%0.157CC..Hα-helixtrans-62.7-44.4178-173.261.4000112.1A421 L422 L428 H429 L459 L461 L464 V900A421-L425 VanDerWaalsContact O-CB 3.31Å; A421-L425 WeakPolarHBondContact O-CB 3.25Å; A421-L425 PolarHBondContact O-N 3.22Å; L422-L425 PolarHBondContact O-N 2.81Å; L425-L428 PolarHBondContact O-N 3.48Å; L425-H429 PolarHBondContact O-N 3.15Å; L425-H429 VanDerWaalsContact O-N 3.14Å; L425-H429 PolarHBondContact O-ND1 2.83Å; L425-L459 HydrophobicContact CD1-CB 4.32Å; L425-L459 HydrophobicContact CD1-CD2 3.68Å; L425-L459 HydrophobicContact CD1-CG 3.69Å; L425-L461 HydrophobicContact CD2-CB 3.89Å; L425-L461 HydrophobicContact CD2-CD1 3.87Å; L425-L461 HydrophobicContact CD2-CG 4.48Å; L425-L464 HydrophobicContact CB-CD2 3.91Å; L425-L464 HydrophobicContact CD1-CD2 4.22Å; L425-V900 HydrophobicContact CD2-CG2 3.52Å
426E88.1Confident86.5Confident10 Ų1027.5 Ų27.55%0.04716%0.161CC..Hα-helixtrans-64.4-45.5175.2-168.276-167.200110.4L422 Q423 L428 H429 V430 M882 V897 M898 S899L422-E426 WeakPolarHBondContact O-CB 3.37Å; L422-E426 PolarHBondContact O-N 3.34Å; Q423-E426 PolarHBondContact O-N 2.85Å; E426-L428 VanDerWaalsContact C-N 3.35Å; E426-L428 PolarHBondContact O-N 3.38Å; E426-H429 PolarHBondContact O-N 3.2Å; E426-V430 HydrophobicContact CG-CG2 4.13Å; E426-V430 VanDerWaalsContact O-CB 3.31Å; E426-V430 WeakPolarHBondContact O-CB 3.47Å; E426-V430 WeakPolarHBondContact O-CG2 3.38Å; E426-V430 PolarHBondContact O-N 3.12Å; E426-M882 HydrophobicContact CB-CG 4.19Å; E426-M882 HydrophobicContact CG-CG 3.9Å; E426-V897 VanDerWaalsContact OE2-CG1 3.25Å; E426-V897 WeakPolarHBondContact OE2-CG1 3.45Å; E426-M898 PolarHBondContact OE2-N 3.33Å; E426-S899 WeakPolarHBondContact OE2-CB 3.44Å; E426-S899 PolarHBondContact OE2-N 3.33Å; E426-S899 PolarHBondContact OE2-OG 3.34Å
427F89.6Confident86.1Confident10 Ų1025.3 Ų25.34%0.04415%0.15CC..Hα-helixtrans-55.7-46.6176.1172.4-94.5000112.5Q423 L424 H429 V430 F431 I435 L437 M713 L716 L717Q423-F427 WeakPolarHBondContact O-CB 3.36Å; Q423-F427 PolarHBondContact O-N 3.14Å; L424-F427 PolarHBondContact O-N 2.91Å; F427-H429 PolarHBondContact O-N 2.91Å; F427-V430 PolarHBondContact O-N 3.22Å; F427-F431 HydrophobicContact CD2-CB 4.37Å; F427-F431 AromaticContact CD2-CD2 3.42Å; F427-F431 HydrophobicContact CD2-CD2 3.42Å; F427-F431 VanDerWaalsContact CD2-CD2 3.42Å; F427-F431 HydrophobicContact CD2-CE2 4.09Å; F427-F431 HydrophobicContact CD2-CG 4.21Å; F427-F431 HydrophobicContact CE2-CB 4.07Å; F427-F431 AromaticContact CE2-CD2 3.7Å; F427-F431 HydrophobicContact CE2-CD2 3.7Å; F427-F431 HydrophobicContact CE2-CE2 4.48Å; F427-F431 HydrophobicContact CE2-CG 4.06Å; F427-F431 HydrophobicContact CG-CD2 4.23Å; F427-F431 HydrophobicContact CZ-CB 4.33Å; F427-F431 PolarHBondContact O-N 3.14Å; F427-I435 HydrophobicContact CZ-CD1 4.15Å; F427-L437 HydrophobicContact CE1-CD1 3.92Å; F427-M713 HydrophobicContact CB-CG 4.07Å; F427-M713 HydrophobicContact CB-SD 3.79Å; F427-M713 HydrophobicContact CD1-CB 4.41Å; F427-M713 HydrophobicContact CD1-CG 3.77Å; F427-M713 HydrophobicContact CD1-SD 4.47Å; F427-M713 HydrophobicContact CD2-CG 3.75Å; F427-M713 HydrophobicContact CD2-SD 4.46Å; F427-M713 HydrophobicContact CE1-CB 4.49Å; F427-M713 HydrophobicContact CE1-CG 4.13Å; F427-M713 HydrophobicContact CE2-CG 4.12Å; F427-M713 HydrophobicContact CG-CG 3.58Å; F427-M713 HydrophobicContact CG-SD 4.01Å; F427-M713 HydrophobicContact CZ-CG 4.29Å; F427-L716 HydrophobicContact CE1-CD1 3.98Å; F427-L716 HydrophobicContact CE2-CB 4.47Å; F427-L716 HydrophobicContact CZ-CB 3.82Å; F427-L716 HydrophobicContact CZ-CD1 3.82Å; F427-L716 HydrophobicContact CZ-CG 4.46Å; F427-L717 HydrophobicContact CD2-CD2 3.99Å; F427-L717 HydrophobicContact CD2-CG 4.23Å; F427-L717 HydrophobicContact CE2-CD2 3.84Å; F427-L717 HydrophobicContact CE2-CG 3.97Å
428L87.7Confident84.6Confident14 Ų1430 Ų307%0.07317%0.174CC..Hα-helixtrans-65.5-36.7-180-70.3173.1000112.3L424 L425 E426 G432 L437 L459 F480L424-L428 HydrophobicContact CD1-CD1 4.2Å; L424-L428 HydrophobicContact CD1-CG 4.29Å; L424-L428 HydrophobicContact CG-CD1 4.03Å; L424-L428 HydrophobicContact CG-CG 4.49Å; L424-L428 WeakPolarHBondContact O-CB 3.3Å; L424-L428 VanDerWaalsContact O-CG 3.25Å; L424-L428 WeakPolarHBondContact O-CG 3.39Å; L424-L428 PolarHBondContact O-N 3.34Å; L425-L428 PolarHBondContact O-N 3.48Å; E426-L428 VanDerWaalsContact C-N 3.35Å; E426-L428 PolarHBondContact O-N 3.38Å; L428-G432 VanDerWaalsContact O-CA 3.29Å; L428-G432 WeakPolarHBondContact O-CA 3.47Å; L428-G432 PolarHBondContact O-N 2.67Å; L428-G432 VanDerWaalsContact O-N 3.14Å; L428-L437 HydrophobicContact CD2-CD1 3.7Å; L428-L459 HydrophobicContact CB-CD2 4.04Å; L428-L459 HydrophobicContact CD1-CD2 3.47Å; L428-L459 VanDerWaalsContact CD1-CD2 3.47Å; L428-L459 HydrophobicContact CG-CD2 4.4Å; L428-F480 HydrophobicContact CD1-CD1 4.03Å; L428-F480 HydrophobicContact CD1-CE1 3.91Å
429H84.9Confident82.9Confident56 Ų5631 Ų3126%0.25918%0.181SC..Hα-helixtrans-69.5-39.2173.4-79.189.8000113.4L425 E426 F427 L459 S899L425-H429 PolarHBondContact O-N 3.15Å; L425-H429 VanDerWaalsContact O-N 3.14Å; L425-H429 PolarHBondContact O-ND1 2.83Å; E426-H429 PolarHBondContact O-N 3.2Å; F427-H429 PolarHBondContact O-N 2.91Å; H429-L459 PolarHBondContact CE1-O 3.13Å; H429-L459 PolarHBondContact NE2-O 3.38Å; H429-S899 VanDerWaalsContact ND1-CB 3.26Å; H429-S899 WeakPolarHBondContact ND1-CB 3.28Å
430V84.4Confident81Confident16 Ų1636.5 Ų36.510%0.09720%0.201CC..Hα-helixtrans-80.5-52.1-172.2170.40000111.5E426 F427 H434 R878E426-V430 HydrophobicContact CG-CG2 4.13Å; E426-V430 VanDerWaalsContact O-CB 3.31Å; E426-V430 WeakPolarHBondContact O-CB 3.47Å; E426-V430 WeakPolarHBondContact O-CG2 3.38Å; E426-V430 PolarHBondContact O-N 3.12Å; F427-V430 PolarHBondContact O-N 3.22Å; V430-H434 PolarHBondContact O-CD2 3.37Å; V430-R878 WeakPolarHBondContact CG1-O 3.44Å; V430-R878 HydrophobicContact CG2-CB 4.24Å; V430-R878 WeakPolarHBondContact CG2-O 3.3Å
431F85.9Confident78.9Confident12 Ų1237.3 Ų37.35%0.05320%0.201CC..THydrogen-bonded Turntrans-96.7-30.6-174.2-63.7-76.6000112.4F427 H434 I435 L717 I722 M726F427-F431 HydrophobicContact CD2-CB 4.37Å; F427-F431 AromaticContact CD2-CD2 3.42Å; F427-F431 HydrophobicContact CD2-CD2 3.42Å; F427-F431 VanDerWaalsContact CD2-CD2 3.42Å; F427-F431 HydrophobicContact CD2-CE2 4.09Å; F427-F431 HydrophobicContact CD2-CG 4.21Å; F427-F431 HydrophobicContact CE2-CB 4.07Å; F427-F431 AromaticContact CE2-CD2 3.7Å; F427-F431 HydrophobicContact CE2-CD2 3.7Å; F427-F431 HydrophobicContact CE2-CE2 4.48Å; F427-F431 HydrophobicContact CE2-CG 4.06Å; F427-F431 HydrophobicContact CG-CD2 4.23Å; F427-F431 HydrophobicContact CZ-CB 4.33Å; F427-F431 PolarHBondContact O-N 3.14Å; F431-H434 WeakPolarHBondContact O-CA 3.34Å; F431-H434 WeakPolarHBondContact O-CB 3.39Å; F431-H434 PolarHBondContact O-N 3.21Å; F431-I435 HydrophobicContact CB-CD1 4.29Å; F431-I435 HydrophobicContact CB-CG1 4.31Å; F431-I435 VanDerWaalsContact O-CG1 3.24Å; F431-I435 WeakPolarHBondContact O-CG1 3.36Å; F431-I435 PolarHBondContact O-N 2.83Å; F431-L717 HydrophobicContact CE2-CD2 4.28Å; F431-I722 HydrophobicContact CD1-CG2 4.08Å; F431-I722 HydrophobicContact CE1-CG2 3.98Å; F431-I722 HydrophobicContact CZ-CG2 4.49Å; F431-M726 HydrophobicContact CE1-CG 3.78Å; F431-M726 HydrophobicContact CE1-SD 4.38Å; F431-M726 HydrophobicContact CZ-CG 3.62Å; F431-M726 HydrophobicContact CZ-SD 3.92Å
432G84.4Confident76.2Confident2 Ų240.3 Ų40.32%0.02123%0.232CC..Hα-helixtrans-49.2-52.8-172.200000114.9L428 H434 I435 G436 L437L428-G432 VanDerWaalsContact O-CA 3.29Å; L428-G432 WeakPolarHBondContact O-CA 3.47Å; L428-G432 PolarHBondContact O-N 2.67Å; L428-G432 VanDerWaalsContact O-N 3.14Å; G432-H434 PolarHBondContact O-N 3.12Å; G432-H434 VanDerWaalsContact O-N 3.14Å; G432-I435 PolarHBondContact O-N 3.26Å; G432-G436 PolarHBondContact O-N 3.02Å; G432-L437 PolarHBondContact O-N 2.94Å
433P81.7Confident73.3Confident89 Ų8948.4 Ų48.458%0.57827%0.267SS*.Hα-helixtrans-61.6-19.9175.7-24.434.9000115.2
434H78.5Confident70.4Confident95 Ų9554.3 Ų54.344%0.4429%0.288SS..Hα-helixtrans-93.6-35.8-178-66.5-35000113.8V430 F431 G432V430-H434 PolarHBondContact O-CD2 3.37Å; F431-H434 WeakPolarHBondContact O-CA 3.34Å; F431-H434 WeakPolarHBondContact O-CB 3.39Å; F431-H434 PolarHBondContact O-N 3.21Å; G432-H434 PolarHBondContact O-N 3.12Å; G432-H434 VanDerWaalsContact O-N 3.14Å
435I81.4Confident67.3Low12 Ų1259.9 Ų59.96%0.06232%0.322CS..Hα-helixtrans-94.81.3176.849.6165.3000113.2F427 F431 G432 L437 T487 R490 L491 L716 I722F427-I435 HydrophobicContact CZ-CD1 4.15Å; F431-I435 HydrophobicContact CB-CD1 4.29Å; F431-I435 HydrophobicContact CB-CG1 4.31Å; F431-I435 VanDerWaalsContact O-CG1 3.24Å; F431-I435 WeakPolarHBondContact O-CG1 3.36Å; F431-I435 PolarHBondContact O-N 2.83Å; G432-I435 PolarHBondContact O-N 3.26Å; I435-L437 HydrophobicContact CD1-CD1 3.54Å; I435-L437 HydrophobicContact CD1-CG 3.73Å; I435-L437 HydrophobicContact CG1-CD1 4.14Å; I435-L437 HydrophobicContact CG1-CG 3.96Å; I435-T487 HydrophobicContact CB-CG2 3.98Å; I435-T487 HydrophobicContact CD1-CG2 3.96Å; I435-T487 HydrophobicContact CG1-CG2 4.29Å; I435-R490 VanDerWaalsContact O-CZ 3.29Å; I435-R490 PolarHBondContact O-NH1 3.33Å; I435-R490 PolarHBondContact O-NH2 2.7Å; I435-L491 HydrophobicContact CG2-CD1 4.27Å; I435-L716 HydrophobicContact CD1-CD1 4.32Å; I435-L716 HydrophobicContact CD1-CD2 4.41Å; I435-I722 HydrophobicContact CD1-CD1 4.14Å; I435-I722 HydrophobicContact CG2-CD1 3.98Å; I435-I722 HydrophobicContact CG2-CG1 3.78Å
436G72.1Confident64.1Low39 Ų3969.4 Ų69.440%0.40237%0.366SS..THydrogen-bonded Turntrans73.829.2178.700000112.9G432 I438G432-G436 PolarHBondContact O-N 3.02Å; G436-I438 PolarHBondContact O-N 3.24Å
437L76.9Confident61.2Low11 Ų1175.2 Ų75.26%0.05840%0.402CS..  trans-69.5111.9164.1-64.6172.5000106.9F427 L428 G432 I435 P439 S483 M484 T487 L716F427-L437 HydrophobicContact CE1-CD1 3.92Å; L428-L437 HydrophobicContact CD2-CD1 3.7Å; G432-L437 PolarHBondContact O-N 2.94Å; I435-L437 HydrophobicContact CD1-CD1 3.54Å; I435-L437 HydrophobicContact CD1-CG 3.73Å; I435-L437 HydrophobicContact CG1-CD1 4.14Å; I435-L437 HydrophobicContact CG1-CG 3.96Å; L437-P439 WeakPolarHBondContact O-CD 3.43Å; L437-S483 WeakPolarHBondContact CA-OG 3.36Å; L437-S483 VanDerWaalsContact CD2-C 3.46Å; L437-S483 VanDerWaalsContact CD2-O 3.24Å; L437-S483 WeakPolarHBondContact CD2-O 3.43Å; L437-S483 WeakPolarHBondContact CD2-OG 3.42Å; L437-M484 HydrophobicContact CD1-CG 4.36Å; L437-M484 HydrophobicContact CD2-CB 4.47Å; L437-M484 HydrophobicContact CD2-CG 3.9Å; L437-T487 HydrophobicContact CD2-CG2 4.18Å; L437-T487 VanDerWaalsContact CD2-OG1 3.24Å; L437-T487 WeakPolarHBondContact CD2-OG1 3.42Å; L437-L716 HydrophobicContact CD1-CD1 4.49Å
438I60.3Low58.1Low111 Ų11183 Ų8357%0.56944%0.442SS*.  trans-112.292172.5-50.3173.1000106.9G436 Q440 S483G436-I438 PolarHBondContact O-N 3.24Å; I438-Q440 HydrophobicContact CB-CG 4.5Å; I438-Q440 HydrophobicContact CG2-CG 3.53Å; I438-Q440 PolarHBondContact O-N 3.2Å; I438-Q440 VanDerWaalsContact O-N 3.09Å; I438-S483 PolarHBondContact N-OG 2.59Å
439P54.2Low55Low29 Ų2984.9 Ų84.919%0.18847%0.465CS..  trans-65.6103.6156.6-4.421.5000105.8L437 I441 F480L437-P439 WeakPolarHBondContact O-CD 3.43Å; P439-I441 HydrophobicContact CB-CD1 3.99Å; P439-I441 HydrophobicContact CB-CG1 4.03Å; P439-I441 PolarHBondContact O-N 3.13Å; P439-F480 HydrophobicContact CB-CD1 4.25Å; P439-F480 HydrophobicContact CB-CE1 3.85Å; P439-F480 HydrophobicContact CG-CD1 4.37Å; P439-F480 HydrophobicContact CG-CE1 4.01Å
440Q47.9Very low52.1Low136 Ų13688.4 Ų88.464%0.63649%0.491SS*.  trans-75.864.3177.5-75.3-156.227.900110.9I438 G442I438-Q440 HydrophobicContact CB-CG 4.5Å; I438-Q440 HydrophobicContact CG2-CG 3.53Å; I438-Q440 PolarHBondContact O-N 3.2Å; I438-Q440 VanDerWaalsContact O-N 3.09Å; Q440-G442 VanDerWaalsContact C-N 3.32Å; Q440-G442 PolarHBondContact O-N 3.11Å
441I46.7Very low49.3Very low60 Ų6094.6 Ų94.631%0.30852%0.523SS..  trans-75.389177.2-60171.4000108P439 L459 P476 F480P439-I441 HydrophobicContact CB-CD1 3.99Å; P439-I441 HydrophobicContact CB-CG1 4.03Å; P439-I441 PolarHBondContact O-N 3.13Å; I441-L459 HydrophobicContact CD1-CD1 3.45Å; I441-L459 VanDerWaalsContact CD1-CD1 3.45Å; I441-P476 HydrophobicContact CG1-CB 4.43Å; I441-F480 HydrophobicContact CD1-CZ 4.19Å
442G35Very low46.3Very low64 Ų64102 Ų10266%0.6656%0.563SS**SBendtrans8972.2164.500000116.9Q440Q440-G442 VanDerWaalsContact C-N 3.32Å; Q440-G442 PolarHBondContact O-N 3.11Å
443K29.4Very low43.3Very low171 Ų171106.1 Ų106.174%0.74359%0.591SS**  trans-139.356150.7-76.1-157176.9-172.30113.5T445K443-T445 PolarHBondContact O-N 3.38Å
444Y29.5Very low40.7Very low202 Ų202112.5 Ų112.579%0.79260%0.604SS**  trans-74.275.6153.8-75-77000109.5
445T25.1Very low38.3Very low117 Ų117112.6 Ų112.672%0.71862%0.615SS**  trans-176.3103.8159.210.40000109K443 V447K443-T445 PolarHBondContact O-N 3.38Å; T445-V447 PolarHBondContact O-N 2.97Å
446E23.1Very low36Very low202 Ų202117 Ų11794%0.94464%0.643SS**  trans-70.1109.9161.8-70.5-176.1121.100108.9
447V26.4Very low34.7Very low131 Ų131119.7 Ų119.779%0.79466%0.655SS**  trans-132.3128.9153.5-175.20000108.3T445T445-V447 PolarHBondContact O-N 2.97Å
448I23.8Very low33.9Very low173 Ų173122.8 Ų122.889%0.88768%0.678SS**  trans-69.1135.8-175.9-64.8159.7000110.3
449G22.5Very low34.7Very low54 Ų54118.3 Ų118.356%0.55766%0.655SS**  trans113.3124.1147.500000117.7
450T24.6Very low36Very low131 Ų131120.2 Ų120.280%0.80467%0.666SS**SBendtrans75.4140.1157.774.30000118.6
451N25.3Very low37.7Very low146 Ų146114.9 Ų114.978%0.78164%0.642SS**  trans63.767.2164.4-53.2-33.9000116.9S453N451-S453 PolarHBondContact O-N 2.73Å
452L23.4Very low39.5Very low168 Ų168115.8 Ų115.888%0.8865%0.654SS**  trans-70.473158.4-168.970.9000110.2
453S22.7Very low41.9Very low88 Ų88114.6 Ų114.662%0.61563%0.634SS**  trans-61.7140.3161.962.70000108.3N451 S455N451-S453 PolarHBondContact O-N 2.73Å; S453-S455 PolarHBondContact O-N 3.14Å
454R25.9Very low44.8Very low222 Ų222106.5 Ų106.584%0.83860%0.599SS**  trans-81.353.6-166-165.2-179.9-76.4165.6-5.1112T456R454-T456 PolarHBondContact O-N 3.15Å
455S27.5Very low47.7Very low97 Ų9797.8 Ų97.868%0.67857%0.565SS**  trans-79.390164.850.20000109.1S453 S457S453-S455 PolarHBondContact O-N 3.14Å; S455-S457 PolarHBondContact O-N 3.44Å; S455-S457 VanDerWaalsContact O-N 3.09Å
456T33.5Very low50.6Low106 Ų10694.3 Ų94.365%0.6555%0.546SS*.  trans-60.9112.715849.40000106.8R454 S458R454-T456 PolarHBondContact O-N 3.15Å; T456-S458 VanDerWaalsContact C-N 3.3Å; T456-S458 PolarHBondContact O-N 2.89Å
457S44.5Very low53.8Low94 Ų9484.8 Ų84.866%0.65750%0.501SS*.  trans-59.993.4172.448.40000108.5S455 L459S455-S457 PolarHBondContact O-N 3.44Å; S455-S457 VanDerWaalsContact O-N 3.09Å; S457-L459 PolarHBondContact O-N 3.08Å
458S61.6Low56.9Low77 Ų7778.5 Ų78.554%0.53846%0.463SS..PPolyproline II helixtrans-64.5118.6-178.951.40000108.5T456 T460T456-S458 VanDerWaalsContact C-N 3.3Å; T456-S458 PolarHBondContact O-N 2.89Å; S458-T460 PolarHBondContact O-N 2.82Å; S458-T460 VanDerWaalsContact O-N 3.15Å
459L76.4Confident60.1Low17 Ų1774.5 Ų74.59%0.08944%0.443CS..PPolyproline II helixtrans-51.7118174174.364.8000109.2L425 L428 H429 I441 S457 T463 F480L425-L459 HydrophobicContact CD1-CB 4.32Å; L425-L459 HydrophobicContact CD1-CD2 3.68Å; L425-L459 HydrophobicContact CD1-CG 3.69Å; L428-L459 HydrophobicContact CB-CD2 4.04Å; L428-L459 HydrophobicContact CD1-CD2 3.47Å; L428-L459 VanDerWaalsContact CD1-CD2 3.47Å; L428-L459 HydrophobicContact CG-CD2 4.4Å; H429-L459 PolarHBondContact CE1-O 3.13Å; H429-L459 PolarHBondContact NE2-O 3.38Å; I441-L459 HydrophobicContact CD1-CD1 3.45Å; I441-L459 VanDerWaalsContact CD1-CD1 3.45Å; S457-L459 PolarHBondContact O-N 3.08Å; L459-T463 VanDerWaalsContact CD1-OG1 3.3Å; L459-T463 WeakPolarHBondContact CD1-OG1 3.19Å; L459-F480 HydrophobicContact CD1-CE1 4Å; L459-F480 HydrophobicContact CD1-CZ 3.54Å; L459-F480 HydrophobicContact CD2-CE1 3.82Å; L459-F480 HydrophobicContact CD2-CZ 4.03Å; L459-F480 HydrophobicContact CG-CZ 4.47Å
460T81.3Confident63.1Low68 Ų6876.3 Ų76.342%0.41744%0.437SS..PPolyproline II helixtrans-86.6153.2178.671.50000110.1S458 S462 T463 L464S458-T460 PolarHBondContact O-N 2.82Å; S458-T460 VanDerWaalsContact O-N 3.15Å; T460-S462 PolarHBondContact O-N 3.16Å; T460-T463 PolarHBondContact N-OG1 3.47Å; T460-T463 PolarHBondContact O-N 3.38Å; T460-T463 VanDerWaalsContact O-N 3.08Å; T460-T463 PolarHBondContact O-OG1 3.17Å; T460-T463 PolarHBondContact OG1-N 3.31Å; T460-T463 VanDerWaalsContact OG1-N 3.13Å; T460-T463 PolarHBondContact OG1-OG1 2.87Å; T460-T463 VanDerWaalsContact OG1-OG1 3.14Å; T460-L464 PolarHBondContact O-N 3.23Å; T460-L464 VanDerWaalsContact O-N 3.11Å
461L84.2Confident65.9Low24 Ų2473.8 Ų73.813%0.12643%0.425CS..Hα-helixtrans-53.3-42.8172.6177.364000111.1F409 L422 L425 T463 L464 E465 V900F409-L461 HydrophobicContact CE1-CD2 4.02Å; F409-L461 HydrophobicContact CZ-CD2 3.58Å; L422-L461 HydrophobicContact CD2-CD1 4.4Å; L425-L461 HydrophobicContact CD2-CB 3.89Å; L425-L461 HydrophobicContact CD2-CD1 3.87Å; L425-L461 HydrophobicContact CD2-CG 4.48Å; L461-T463 PolarHBondContact O-N 3.4Å; L461-L464 PolarHBondContact O-N 3.26Å; L461-L464 VanDerWaalsContact O-N 3.13Å; L461-E465 HydrophobicContact CD1-CG 4.27Å; L461-E465 HydrophobicContact CG-CG 4.39Å; L461-E465 PolarHBondContact O-N 3.49Å; L461-V900 HydrophobicContact CB-CG2 4.32Å
462S84Confident68.7Low80 Ų8070.6 Ų70.656%0.55941%0.408SS*.Hα-helixtrans-58.4-44.7175.7168.70000112.6T460 L464 E465 S466T460-S462 PolarHBondContact O-N 3.16Å; S462-L464 VanDerWaalsContact C-N 3.29Å; S462-L464 PolarHBondContact O-N 2.92Å; S462-E465 PolarHBondContact O-N 3.01Å; S462-S466 WeakPolarHBondContact O-CB 3.31Å; S462-S466 PolarHBondContact O-N 2.78Å; S462-S466 PolarHBondContact O-OG 3.39Å
463T86Confident71.4Confident39 Ų3965.5 Ų65.524%0.23939%0.385CS..Hα-helixtrans-65.2-31.4176.548.60000113.3L459 T460 L461 S467L459-T463 VanDerWaalsContact CD1-OG1 3.3Å; L459-T463 WeakPolarHBondContact CD1-OG1 3.19Å; T460-T463 PolarHBondContact N-OG1 3.47Å; T460-T463 PolarHBondContact O-N 3.38Å; T460-T463 VanDerWaalsContact O-N 3.08Å; T460-T463 PolarHBondContact O-OG1 3.17Å; T460-T463 PolarHBondContact OG1-N 3.31Å; T460-T463 VanDerWaalsContact OG1-N 3.13Å; T460-T463 PolarHBondContact OG1-OG1 2.87Å; T460-T463 VanDerWaalsContact OG1-OG1 3.14Å; L461-T463 PolarHBondContact O-N 3.4Å; T463-S467 WeakPolarHBondContact O-CB 3.18Å; T463-S467 PolarHBondContact O-N 3.43Å; T463-S467 VanDerWaalsContact O-N 3.12Å
464L89.1Confident74Confident1 Ų165 Ų651%0.00538%0.38CS..Hα-helixtrans-71.7-46.7173.3-177.362.2000111.3A421 L424 L425 T460 L461 S462 S467 L468 F480A421-L464 WeakPolarHBondContact O-CD2 3.21Å; L424-L464 HydrophobicContact CD2-CD1 4.22Å; L425-L464 HydrophobicContact CB-CD2 3.91Å; L425-L464 HydrophobicContact CD1-CD2 4.22Å; T460-L464 PolarHBondContact O-N 3.23Å; T460-L464 VanDerWaalsContact O-N 3.11Å; L461-L464 PolarHBondContact O-N 3.26Å; L461-L464 VanDerWaalsContact O-N 3.13Å; S462-L464 VanDerWaalsContact C-N 3.29Å; S462-L464 PolarHBondContact O-N 2.92Å; L464-S467 PolarHBondContact O-N 2.98Å; L464-S467 PolarHBondContact O-OG 3.25Å; L464-L468 HydrophobicContact CD1-CD1 4.34Å; L464-L468 HydrophobicContact CG-CD1 4.17Å; L464-L468 WeakPolarHBondContact O-CG 3.17Å; L464-L468 PolarHBondContact O-N 2.87Å; L464-L468 VanDerWaalsContact O-N 3.15Å; L464-F480 HydrophobicContact CD1-CE2 4.14Å; L464-F480 HydrophobicContact CD1-CZ 4.29Å
465E90.4Very high76.7Confident18 Ų1854.8 Ų54.88%0.08434%0.344CS..Hα-helixtrans-59.3-49176.8-70.5-166.1-177.600111.9S411 S412 L413 L461 S462 S467 L468 L469S411-E465 VanDerWaalsContact CA-OE1 3.29Å; S411-E465 WeakPolarHBondContact CA-OE1 3.49Å; S411-E465 WeakPolarHBondContact CB-OE1 3.42Å; S412-E465 VanDerWaalsContact CB-OE2 3.32Å; S412-E465 WeakPolarHBondContact CB-OE2 3.41Å; S412-E465 PolarHBondContact N-OE2 3.23Å; S412-E465 PolarHBondContact OG-OE2 3.43Å; L413-E465 HydrophobicContact CD1-CG 4.07Å; L413-E465 HydrophobicContact CG-CG 4.04Å; L461-E465 HydrophobicContact CD1-CG 4.27Å; L461-E465 HydrophobicContact CG-CG 4.39Å; L461-E465 PolarHBondContact O-N 3.49Å; S462-E465 PolarHBondContact O-N 3.01Å; E465-S467 VanDerWaalsContact C-N 3.31Å; E465-S467 PolarHBondContact O-N 3.41Å; E465-L468 PolarHBondContact O-N 3.39Å; E465-L468 VanDerWaalsContact O-N 3.12Å; E465-L469 WeakPolarHBondContact O-CG 3.48Å; E465-L469 PolarHBondContact O-N 3.26Å
466S87.6Confident79.4Confident45 Ų4551.7 Ų51.732%0.31532%0.322SS..Hα-helixtrans-53.9-46.8173.3-77.60000111.6S462 L468 L469 E470S462-S466 WeakPolarHBondContact O-CB 3.31Å; S462-S466 PolarHBondContact O-N 2.78Å; S462-S466 PolarHBondContact O-OG 3.39Å; S466-L468 PolarHBondContact O-N 2.69Å; S466-L469 PolarHBondContact O-N 2.97Å; S466-E470 WeakPolarHBondContact CB-OE1 3.4Å; S466-E470 VanDerWaalsContact O-CB 3.23Å; S466-E470 WeakPolarHBondContact O-CB 3.31Å; S466-E470 VanDerWaalsContact O-CG 3.26Å; S466-E470 WeakPolarHBondContact O-CG 3.25Å; S466-E470 PolarHBondContact O-N 3.47Å
467S89.5Confident82.1Confident1 Ų146.9 Ų46.91%0.00729%0.292CS..Hα-helixtrans-61.1-29.6179.479.50000114.5T463 L464 E465 L477 F480T463-S467 WeakPolarHBondContact O-CB 3.18Å; T463-S467 PolarHBondContact O-N 3.43Å; T463-S467 VanDerWaalsContact O-N 3.12Å; L464-S467 PolarHBondContact O-N 2.98Å; L464-S467 PolarHBondContact O-OG 3.25Å; E465-S467 VanDerWaalsContact C-N 3.31Å; E465-S467 PolarHBondContact O-N 3.41Å; S467-L477 WeakPolarHBondContact O-CB 3.26Å; S467-F480 WeakPolarHBondContact OG-CE2 3.46Å
468L91.8Very high84.2Confident0 Ų042.4 Ų42.40%026%0.261CS..Hα-helixtrans-83.9-36-179.3-66.5167.1000111.5L413 L464 E465 S466 L477 P702 K705 L706 L709L413-L468 HydrophobicContact CD1-CD1 4.18Å; L413-L468 HydrophobicContact CD2-CB 4.43Å; L413-L468 HydrophobicContact CD2-CD1 4.37Å; L464-L468 HydrophobicContact CD1-CD1 4.34Å; L464-L468 HydrophobicContact CG-CD1 4.17Å; L464-L468 WeakPolarHBondContact O-CG 3.17Å; L464-L468 PolarHBondContact O-N 2.87Å; L464-L468 VanDerWaalsContact O-N 3.15Å; E465-L468 PolarHBondContact O-N 3.39Å; E465-L468 VanDerWaalsContact O-N 3.12Å; S466-L468 PolarHBondContact O-N 2.69Å; L468-L477 HydrophobicContact CD2-CD1 4.4Å; L468-P702 HydrophobicContact CB-CB 4.29Å; L468-K705 HydrophobicContact CD2-CB 3.92Å; L468-K705 VanDerWaalsContact O-CD 3.25Å; L468-K705 WeakPolarHBondContact O-CD 3.41Å; L468-K705 PolarHBondContact O-NZ 2.89Å; L468-L706 HydrophobicContact CD1-CD1 4.07Å; L468-L706 HydrophobicContact CD1-CD2 3.67Å; L468-L706 HydrophobicContact CD1-CG 3.79Å; L468-L706 HydrophobicContact CD2-CD2 4.12Å; L468-L706 HydrophobicContact CD2-CG 3.97Å; L468-L709 HydrophobicContact CD2-CD1 3.65Å
469L90.7Very high85.5Confident89 Ų8940.3 Ų40.347%0.46624%0.244SC..Hα-helixtrans-78.6-36.6179.8-68.7165.7000112.6L413 E465 S466 P702L413-L469 HydrophobicContact CD2-CG 4.46Å; E465-L469 WeakPolarHBondContact O-CG 3.48Å; E465-L469 PolarHBondContact O-N 3.26Å; S466-L469 PolarHBondContact O-N 2.97Å; L469-P702 HydrophobicContact CD2-CG 3.87Å
470E85.6Confident86.2Confident92 Ų9239.6 Ų39.643%0.4324%0.24SC..  trans-73.4149.7178.6-70.7165-161.300112S466 K705S466-E470 WeakPolarHBondContact CB-OE1 3.4Å; S466-E470 VanDerWaalsContact O-CB 3.23Å; S466-E470 WeakPolarHBondContact O-CB 3.31Å; S466-E470 VanDerWaalsContact O-CG 3.26Å; S466-E470 WeakPolarHBondContact O-CG 3.25Å; S466-E470 PolarHBondContact O-N 3.47Å; E470-K705 PolarHBondContact O-NZ 3.35Å
471S82.7Confident86.7Confident78 Ų7836.4 Ų36.455%0.54522%0.22SC..  trans-11415.2177.553.10000112.8P473 Y698S471-P473 WeakPolarHBondContact O-CD 3.4Å; S471-Y698 WeakPolarHBondContact CA-O 3.2Å; S471-Y698 WeakPolarHBondContact CB-O 3.41Å; S471-Y698 WeakPolarHBondContact O-CB 3.34Å
472D84.9Confident86.9Confident79 Ų7936.9 Ų36.942%0.42222%0.222SC..  trans-70.6117.9177177.922.1000111.1C474 G475D472-C474 PolarHBondContact O-N 3.05Å; D472-C474 WeakPolarHBondContact OD1-CB 3.37Å; D472-C474 PolarHBondContact OD1-N 3.28Å; D472-C474 WeakPolarHBondContact OD2-CB 3.49Å; D472-G475 PolarHBondContact O-N 2.88Å; D472-G475 VanDerWaalsContact O-N 3.07Å; D472-G475 PolarHBondContact OD2-N 2.92Å; D472-G475 VanDerWaalsContact OD2-N 3.1Å
473P79.3Confident87.1Confident61 Ų6133.7 Ų33.740%0.39620%0.2SC..THydrogen-bonded Turntrans-64.3-18.9173.328.9-36.7000113.2S471 R642 Y698S471-P473 WeakPolarHBondContact O-CD 3.4Å; P473-R642 WeakPolarHBondContact O-CD 3.4Å; P473-Y698 HydrophobicContact CB-CD1 4.38Å; P473-Y698 HydrophobicContact CB-CD2 3.86Å; P473-Y698 HydrophobicContact CB-CE1 4.29Å; P473-Y698 HydrophobicContact CB-CE2 3.73Å; P473-Y698 HydrophobicContact CB-CG 4.19Å
474C78.1Confident87.4Confident77 Ų7731.9 Ų31.952%0.5219%0.189SC..THydrogen-bonded Turntrans-87.3-7.7174.7-73.90000114.4D472 R642D472-C474 PolarHBondContact O-N 3.05Å; D472-C474 WeakPolarHBondContact OD1-CB 3.37Å; D472-C474 PolarHBondContact OD1-N 3.28Å; D472-C474 WeakPolarHBondContact OD2-CB 3.49Å; C474-R642 PolarHBondContact O-NH1 2.82Å; C474-R642 PolarHBondContact O-NH2 3.48Å
475G81.6Confident87.3Confident8 Ų831.9 Ų31.98%0.08219%0.189CC..SBendtrans-80.2176.7-175.100000114.8D472 L477 A478D472-G475 PolarHBondContact O-N 2.88Å; D472-G475 VanDerWaalsContact O-N 3.07Å; D472-G475 PolarHBondContact OD2-N 2.92Å; D472-G475 VanDerWaalsContact OD2-N 3.1Å; G475-L477 PolarHBondContact O-N 3.5Å; G475-L477 VanDerWaalsContact O-N 3.07Å; G475-A478 PolarHBondContact O-N 2.9Å
476P85.1Confident87Confident32 Ų3233.2 Ų33.221%0.20820%0.2CC..Hα-helixtrans-62.7-18.2-173.923-33.2000114.6I441 A478 D479 F480I441-P476 HydrophobicContact CG1-CB 4.43Å; P476-A478 VanDerWaalsContact C-N 3.34Å; P476-A478 PolarHBondContact O-N 3.34Å; P476-D479 PolarHBondContact O-N 3.07Å; P476-F480 HydrophobicContact CB-CE2 4.18Å; P476-F480 WeakPolarHBondContact O-CD2 3.32Å; P476-F480 PolarHBondContact O-N 3.38Å; P476-F480 VanDerWaalsContact O-N 3.08Å
477L90.8Very high87Confident4 Ų431 Ų312%0.02119%0.185CC..Hα-helixtrans-59.2-43.3177.1-173.262.8000112.6S467 L468 G475 D479 F480 F481 Y698 K705 L709S467-L477 WeakPolarHBondContact O-CB 3.26Å; L468-L477 HydrophobicContact CD2-CD1 4.4Å; G475-L477 PolarHBondContact O-N 3.5Å; G475-L477 VanDerWaalsContact O-N 3.07Å; L477-D479 VanDerWaalsContact C-N 3.28Å; L477-D479 PolarHBondContact O-N 2.98Å; L477-F480 PolarHBondContact O-N 3.44Å; L477-F481 HydrophobicContact CD1-CD2 4.2Å; L477-F481 HydrophobicContact CD1-CE2 3.72Å; L477-F481 HydrophobicContact CG-CD2 4.17Å; L477-F481 HydrophobicContact CG-CE2 3.95Å; L477-F481 WeakPolarHBondContact O-CD2 3.29Å; L477-F481 PolarHBondContact O-N 2.99Å; L477-Y698 HydrophobicContact CD2-CD1 4.21Å; L477-K705 HydrophobicContact CD1-CD 4.43Å; L477-K705 HydrophobicContact CD2-CD 3.62Å; L477-K705 VanDerWaalsContact CD2-CE 3.42Å; L477-K705 HydrophobicContact CD2-CG 4.23Å; L477-L709 HydrophobicContact CD1-CD1 4.25Å
478A88.4Confident86.8Confident0 Ų031 Ų310%019%0.185CC..Hα-helixtrans-60.8-42.8177.700000110.6G475 P476 F480 F481 I482 R642 L645 Y698G475-A478 PolarHBondContact O-N 2.9Å; P476-A478 VanDerWaalsContact C-N 3.34Å; P476-A478 PolarHBondContact O-N 3.34Å; A478-F480 PolarHBondContact O-N 2.91Å; A478-F481 PolarHBondContact O-N 3.36Å; A478-I482 HydrophobicContact CB-CD1 4.46Å; A478-I482 WeakPolarHBondContact O-CB 3.41Å; A478-I482 VanDerWaalsContact O-CG1 3.24Å; A478-I482 WeakPolarHBondContact O-CG1 3.42Å; A478-I482 PolarHBondContact O-N 3.3Å; A478-R642 HydrophobicContact CB-CG 4.02Å; A478-L645 HydrophobicContact CB-CD2 4.34Å; A478-Y698 HydrophobicContact CB-CE1 3.96Å; A478-Y698 WeakPolarHBondContact CB-OH 3.42Å
479D87.9Confident86.2Confident34 Ų3433.2 Ų33.218%0.18219%0.193CC..Hα-helixtrans-67.8-34-177.3-59-23.9000111.8P476 L477 S483 R642P476-D479 PolarHBondContact O-N 3.07Å; L477-D479 VanDerWaalsContact C-N 3.28Å; L477-D479 PolarHBondContact O-N 2.98Å; D479-S483 WeakPolarHBondContact O-CB 3.43Å; D479-S483 PolarHBondContact O-N 3.02Å; D479-R642 VanDerWaalsContact CG-NH2 3.31Å; D479-R642 IonicContact OD1-CZ 3.64Å; D479-R642 IonicContact OD1-NE 3.72Å; D479-R642 IonicContact OD1-NH2 2.74Å; D479-R642 PolarHBondContact OD1-NH2 2.91Å; D479-R642 IonicContact OD2-NH2 3.16Å; D479-R642 PolarHBondContact OD2-NH2 3.19Å; D479-R642 VanDerWaalsContact OD2-NH2 3.16Å
480F90.5Very high85.8Confident2 Ų233.3 Ų33.31%0.00919%0.187CC..Hα-helixtrans-61.7-50.5172-69.7-56.9000112.5L428 P439 I441 L459 L464 S467 P476 L477 A478 S483 M484 L709L428-F480 HydrophobicContact CD1-CD1 4.03Å; L428-F480 HydrophobicContact CD1-CE1 3.91Å; P439-F480 HydrophobicContact CB-CD1 4.25Å; P439-F480 HydrophobicContact CB-CE1 3.85Å; P439-F480 HydrophobicContact CG-CD1 4.37Å; P439-F480 HydrophobicContact CG-CE1 4.01Å; I441-F480 HydrophobicContact CD1-CZ 4.19Å; L459-F480 HydrophobicContact CD1-CE1 4Å; L459-F480 HydrophobicContact CD1-CZ 3.54Å; L459-F480 HydrophobicContact CD2-CE1 3.82Å; L459-F480 HydrophobicContact CD2-CZ 4.03Å; L459-F480 HydrophobicContact CG-CZ 4.47Å; L464-F480 HydrophobicContact CD1-CE2 4.14Å; L464-F480 HydrophobicContact CD1-CZ 4.29Å; S467-F480 WeakPolarHBondContact OG-CE2 3.46Å; P476-F480 HydrophobicContact CB-CE2 4.18Å; P476-F480 WeakPolarHBondContact O-CD2 3.32Å; P476-F480 PolarHBondContact O-N 3.38Å; P476-F480 VanDerWaalsContact O-N 3.08Å; L477-F480 PolarHBondContact O-N 3.44Å; A478-F480 PolarHBondContact O-N 2.91Å; F480-S483 PolarHBondContact O-N 3.33Å; F480-M484 PolarHBondContact O-N 2.79Å; F480-L709 HydrophobicContact CB-CD2 4.02Å
481F92.3Very high85.6Confident0 Ų029.3 Ų29.30%017%0.169CC..Hα-helixtrans-65.8-44.8179.9-76.3-66.3000112.1L477 A478 S483 M484 L485 L645 L649 V697 L708 L709 L712L477-F481 HydrophobicContact CD1-CD2 4.2Å; L477-F481 HydrophobicContact CD1-CE2 3.72Å; L477-F481 HydrophobicContact CG-CD2 4.17Å; L477-F481 HydrophobicContact CG-CE2 3.95Å; L477-F481 WeakPolarHBondContact O-CD2 3.29Å; L477-F481 PolarHBondContact O-N 2.99Å; A478-F481 PolarHBondContact O-N 3.36Å; F481-S483 PolarHBondContact O-N 3.07Å; F481-M484 PolarHBondContact O-N 2.86Å; F481-L485 VanDerWaalsContact O-CB 3.31Å; F481-L485 WeakPolarHBondContact O-CB 3.5Å; F481-L485 WeakPolarHBondContact O-CG 3.35Å; F481-L485 PolarHBondContact O-N 3.42Å; F481-L645 HydrophobicContact CB-CD1 3.86Å; F481-L645 HydrophobicContact CB-CD2 3.89Å; F481-L645 HydrophobicContact CB-CG 4.23Å; F481-L645 HydrophobicContact CD2-CD2 4.14Å; F481-L645 HydrophobicContact CG-CD2 4.36Å; F481-L649 HydrophobicContact CD1-CD1 3.78Å; F481-L649 HydrophobicContact CD1-CD2 3.85Å; F481-L649 HydrophobicContact CD1-CG 4.42Å; F481-L649 HydrophobicContact CD2-CD1 4.47Å; F481-L649 HydrophobicContact CE1-CD1 3.95Å; F481-L649 HydrophobicContact CE1-CD2 4.19Å; F481-L649 HydrophobicContact CG-CD1 4.06Å; F481-L649 HydrophobicContact CZ-CD1 4.37Å; F481-V697 HydrophobicContact CD2-CG1 3.91Å; F481-V697 HydrophobicContact CE2-CG1 3.38Å; F481-V697 HydrophobicContact CZ-CG1 3.96Å; F481-L708 HydrophobicContact CE1-CB 3.71Å; F481-L708 HydrophobicContact CZ-CB 3.91Å; F481-L708 HydrophobicContact CZ-CD1 4.42Å; F481-L709 HydrophobicContact CD1-CD2 3.65Å; F481-L709 HydrophobicContact CD1-CG 4.41Å; F481-L709 HydrophobicContact CD2-CD2 4.18Å; F481-L709 HydrophobicContact CE1-CD2 3.45Å; F481-L709 VanDerWaalsContact CE1-CD2 3.45Å; F481-L709 HydrophobicContact CE1-CG 3.71Å; F481-L709 HydrophobicContact CE2-CD2 4Å; F481-L709 HydrophobicContact CE2-CG 4.27Å; F481-L709 HydrophobicContact CG-CD2 4.01Å; F481-L709 HydrophobicContact CZ-CD1 4.39Å; F481-L709 HydrophobicContact CZ-CD2 3.65Å; F481-L709 HydrophobicContact CZ-CG 3.63Å; F481-L712 HydrophobicContact CD1-CD1 3.81Å; F481-L712 HydrophobicContact CE1-CD1 4.35Å
482I88Confident85.2Confident35 Ų3527 Ų2718%0.17915%0.149CC..Hα-helixtrans-62.2-43.5177.5-68.9169000110.5A478 S486 L640 R642 L645A478-I482 HydrophobicContact CB-CD1 4.46Å; A478-I482 WeakPolarHBondContact O-CB 3.41Å; A478-I482 VanDerWaalsContact O-CG1 3.24Å; A478-I482 WeakPolarHBondContact O-CG1 3.42Å; A478-I482 PolarHBondContact O-N 3.3Å; I482-S486 WeakPolarHBondContact O-CB 3.28Å; I482-S486 PolarHBondContact O-N 3.23Å; I482-S486 PolarHBondContact O-OG 3.15Å; I482-L640 HydrophobicContact CG1-CB 4.33Å; I482-L640 HydrophobicContact CG2-CB 4.09Å; I482-R642 HydrophobicContact CD1-CG 4.14Å; I482-L645 HydrophobicContact CG1-CD1 3.84Å
483S89.3Confident84.5Confident12 Ų1226.8 Ų26.88%0.08415%0.148CC..Hα-helixtrans-64-45.6178.1-173.60000112L437 I438 D479 F480 F481 S486 T487L437-S483 WeakPolarHBondContact CA-OG 3.36Å; L437-S483 VanDerWaalsContact CD2-C 3.46Å; L437-S483 VanDerWaalsContact CD2-O 3.24Å; L437-S483 WeakPolarHBondContact CD2-O 3.43Å; L437-S483 WeakPolarHBondContact CD2-OG 3.42Å; I438-S483 PolarHBondContact N-OG 2.59Å; D479-S483 WeakPolarHBondContact O-CB 3.43Å; D479-S483 PolarHBondContact O-N 3.02Å; F480-S483 PolarHBondContact O-N 3.33Å; F481-S483 PolarHBondContact O-N 3.07Å; S483-S486 PolarHBondContact O-OG 2.89Å; S483-S486 VanDerWaalsContact O-OG 3.05Å; S483-T487 VanDerWaalsContact O-CB 3.27Å; S483-T487 WeakPolarHBondContact O-CB 3.35Å; S483-T487 PolarHBondContact O-N 3.37Å; S483-T487 VanDerWaalsContact O-N 3.07Å; S483-T487 PolarHBondContact O-OG1 3.24Å
484M91.4Very high84.1Confident2 Ų227.4 Ų27.41%0.0115%0.148CC..Hα-helixtrans-68.9-47.1177.5-71.6-162.9-7100112.7L424 L437 F480 F481 S486 T487 I488 L709 L712 L716L424-M484 HydrophobicContact CD1-CE 4.3Å; L424-M484 HydrophobicContact CD1-SD 4.34Å; L437-M484 HydrophobicContact CD1-CG 4.36Å; L437-M484 HydrophobicContact CD2-CB 4.47Å; L437-M484 HydrophobicContact CD2-CG 3.9Å; F480-M484 PolarHBondContact O-N 2.79Å; F481-M484 PolarHBondContact O-N 2.86Å; M484-S486 PolarHBondContact O-N 3.28Å; M484-T487 PolarHBondContact O-N 3.32Å; M484-I488 WeakPolarHBondContact O-CG1 3.26Å; M484-I488 PolarHBondContact O-N 3.46Å; M484-L709 HydrophobicContact CE-CB 4.04Å; M484-L709 HydrophobicContact CE-CD2 3.32Å; M484-L709 HydrophobicContact CE-CG 4.28Å; M484-L712 HydrophobicContact CB-CB 4.32Å; M484-L712 HydrophobicContact CB-CD1 4.17Å; M484-L712 HydrophobicContact CE-CB 4.26Å; M484-L712 HydrophobicContact CE-CD1 4.44Å; M484-L712 HydrophobicContact SD-CB 4.33Å; M484-L716 HydrophobicContact CB-CD1 4.18Å; M484-L716 HydrophobicContact CG-CD1 3.99Å; M484-L716 HydrophobicContact SD-CD1 4.18Å
485L87.7Confident83.7Confident0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-62.6-43.4178.1-73.2172.4000112.5F481 T487 I488 R489 L640 L645 L649 H652 L712F481-L485 VanDerWaalsContact O-CB 3.31Å; F481-L485 WeakPolarHBondContact O-CB 3.5Å; F481-L485 WeakPolarHBondContact O-CG 3.35Å; F481-L485 PolarHBondContact O-N 3.42Å; L485-T487 VanDerWaalsContact C-N 3.26Å; L485-T487 PolarHBondContact O-N 3.48Å; L485-I488 PolarHBondContact O-N 3.3Å; L485-R489 VanDerWaalsContact O-CG 3.29Å; L485-R489 WeakPolarHBondContact O-CG 3.17Å; L485-R489 PolarHBondContact O-N 3.18Å; L485-L640 HydrophobicContact CB-CD1 3.83Å; L485-L640 HydrophobicContact CB-CD2 3.84Å; L485-L640 HydrophobicContact CD1-CD2 3.65Å; L485-L640 HydrophobicContact CG-CD2 4.41Å; L485-L645 HydrophobicContact CD1-CD1 4.36Å; L485-L649 HydrophobicContact CD1-CD2 3.82Å; L485-L649 HydrophobicContact CD1-CG 4.04Å; L485-L649 HydrophobicContact CD2-CD2 4.3Å; L485-L649 HydrophobicContact CG-CD2 4.34Å; L485-H652 HydrophobicContact CD2-CB 4.29Å; L485-L712 HydrophobicContact CD2-CD1 4.09Å; L485-L712 HydrophobicContact CD2-CD2 3.76Å; L485-L712 HydrophobicContact CG-CD1 4.02Å
486S83.6Confident82.7Confident46 Ų4625.2 Ų25.232%0.32213%0.13SC..Hα-helixtrans-64.5-32.9176.260.50000112I482 S483 M484 R490I482-S486 WeakPolarHBondContact O-CB 3.28Å; I482-S486 PolarHBondContact O-N 3.23Å; I482-S486 PolarHBondContact O-OG 3.15Å; S483-S486 PolarHBondContact O-OG 2.89Å; S483-S486 VanDerWaalsContact O-OG 3.05Å; M484-S486 PolarHBondContact O-N 3.28Å; S486-R490 VanDerWaalsContact O-CB 3.25Å; S486-R490 WeakPolarHBondContact O-CB 3.34Å; S486-R490 PolarHBondContact O-N 2.67Å
487T88.9Confident81.5Confident0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-72.7-40.3175.4-58.90000112.5I435 L437 S483 M484 L485 R490 L491 L716I435-T487 HydrophobicContact CB-CG2 3.98Å; I435-T487 HydrophobicContact CD1-CG2 3.96Å; I435-T487 HydrophobicContact CG1-CG2 4.29Å; L437-T487 HydrophobicContact CD2-CG2 4.18Å; L437-T487 VanDerWaalsContact CD2-OG1 3.24Å; L437-T487 WeakPolarHBondContact CD2-OG1 3.42Å; S483-T487 VanDerWaalsContact O-CB 3.27Å; S483-T487 WeakPolarHBondContact O-CB 3.35Å; S483-T487 PolarHBondContact O-N 3.37Å; S483-T487 VanDerWaalsContact O-N 3.07Å; S483-T487 PolarHBondContact O-OG1 3.24Å; M484-T487 PolarHBondContact O-N 3.32Å; L485-T487 VanDerWaalsContact C-N 3.26Å; L485-T487 PolarHBondContact O-N 3.48Å; T487-R490 PolarHBondContact O-N 3.24Å; T487-R490 PolarHBondContact OG1-NH2 2.69Å; T487-L491 HydrophobicContact CG2-CD1 3.89Å; T487-L491 HydrophobicContact CG2-CG 4.26Å; T487-L491 WeakPolarHBondContact O-CB 3.35Å; T487-L491 VanDerWaalsContact O-CG 3.29Å; T487-L491 WeakPolarHBondContact O-CG 3.46Å; T487-L491 PolarHBondContact O-N 3.05Å; T487-L716 HydrophobicContact CG2-CD2 3.9Å
488I84.8Confident80.2Confident0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-59.8-54171.8-65.5164.4000109.7M484 L485 R490 L491 E492 L712 E715 L716M484-I488 WeakPolarHBondContact O-CG1 3.26Å; M484-I488 PolarHBondContact O-N 3.46Å; L485-I488 PolarHBondContact O-N 3.3Å; I488-R490 VanDerWaalsContact C-N 3.26Å; I488-R490 PolarHBondContact O-N 3.42Å; I488-L491 PolarHBondContact O-N 3.24Å; I488-L491 VanDerWaalsContact O-N 3.16Å; I488-E492 HydrophobicContact CG2-CG 4.09Å; I488-E492 WeakPolarHBondContact O-CB 3.31Å; I488-E492 WeakPolarHBondContact O-CG 3.47Å; I488-E492 PolarHBondContact O-N 2.81Å; I488-L712 HydrophobicContact CD1-CB 4.16Å; I488-L712 HydrophobicContact CD1-CD2 3.79Å; I488-L712 HydrophobicContact CD1-CG 4.5Å; I488-E715 HydrophobicContact CD1-CB 4.37Å; I488-L716 HydrophobicContact CB-CD2 4.47Å; I488-L716 HydrophobicContact CD1-CG 4.2Å; I488-L716 HydrophobicContact CG1-CD1 4.45Å; I488-L716 HydrophobicContact CG1-CD2 3.5Å; I488-L716 HydrophobicContact CG1-CG 3.63Å
489R79.3Confident78.5Confident46 Ų4640.1 Ų40.117%0.17420%0.199CC..Hα-helixtrans-53.7-42.8179.3-69.7176-168.2-162.35.3112L485 L493 L637 P638 L640L485-R489 VanDerWaalsContact O-CG 3.29Å; L485-R489 WeakPolarHBondContact O-CG 3.17Å; L485-R489 PolarHBondContact O-N 3.18Å; R489-L493 VanDerWaalsContact O-CB 3.32Å; R489-L493 WeakPolarHBondContact O-CB 3.5Å; R489-L493 PolarHBondContact O-N 2.79Å; R489-L637 HydrophobicContact CG-CD1 4.12Å; R489-P638 PolarHBondContact NH1-O 2.93Å; R489-P638 PolarHBondContact NH2-O 3.42Å; R489-P638 VanDerWaalsContact NH2-O 3.14Å; R489-L640 VanDerWaalsContact NH2-CD2 3.32Å
490R80.9Confident76.7Confident92 Ų9243.1 Ų43.135%0.34722%0.22SC..Hα-helixtrans-67.8-46.3177.3172.5168.345.282.1-3.5113.3I435 S486 T487 I488 L493 D494I435-R490 VanDerWaalsContact O-CZ 3.29Å; I435-R490 PolarHBondContact O-NH1 3.33Å; I435-R490 PolarHBondContact O-NH2 2.7Å; S486-R490 VanDerWaalsContact O-CB 3.25Å; S486-R490 WeakPolarHBondContact O-CB 3.34Å; S486-R490 PolarHBondContact O-N 2.67Å; T487-R490 PolarHBondContact O-N 3.24Å; T487-R490 PolarHBondContact OG1-NH2 2.69Å; I488-R490 VanDerWaalsContact C-N 3.26Å; I488-R490 PolarHBondContact O-N 3.42Å; R490-L493 PolarHBondContact O-N 3.18Å; R490-D494 PolarHBondContact O-N 2.84Å
491L82.3Confident74.8Confident8 Ų849 Ų494%0.04226%0.257CS..Hα-helixtrans-68.1-36.8179.3-69.7175.7000111.9I435 T487 I488 A495 L716 Q719 Q721 I722I435-L491 HydrophobicContact CG2-CD1 4.27Å; T487-L491 HydrophobicContact CG2-CD1 3.89Å; T487-L491 HydrophobicContact CG2-CG 4.26Å; T487-L491 WeakPolarHBondContact O-CB 3.35Å; T487-L491 VanDerWaalsContact O-CG 3.29Å; T487-L491 WeakPolarHBondContact O-CG 3.46Å; T487-L491 PolarHBondContact O-N 3.05Å; I488-L491 PolarHBondContact O-N 3.24Å; I488-L491 VanDerWaalsContact O-N 3.16Å; L491-A495 WeakPolarHBondContact O-CB 3.17Å; L491-A495 PolarHBondContact O-N 2.79Å; L491-L716 HydrophobicContact CD1-CD2 3.92Å; L491-Q719 HydrophobicContact CB-CB 4.48Å; L491-Q719 HydrophobicContact CB-CG 4.21Å; L491-Q719 HydrophobicContact CD1-CB 4.19Å; L491-Q719 HydrophobicContact CD1-CG 4.07Å; L491-Q721 HydrophobicContact CD2-CB 4.09Å; L491-Q721 HydrophobicContact CD2-CG 4.01Å; L491-Q721 PolarHBondContact O-NE2 3.41Å; L491-I722 HydrophobicContact CD1-CD1 4.01Å
492E74.1Confident72.6Confident29 Ų2952.6 Ų52.614%0.13628%0.28CS..Hα-helixtrans-61.3-49.4169.8-73.9-178.4172.500110.6I488 D494 A495 N496 K659I488-E492 HydrophobicContact CG2-CG 4.09Å; I488-E492 WeakPolarHBondContact O-CB 3.31Å; I488-E492 WeakPolarHBondContact O-CG 3.47Å; I488-E492 PolarHBondContact O-N 2.81Å; E492-D494 PolarHBondContact O-N 3.1Å; E492-A495 PolarHBondContact O-N 2.88Å; E492-N496 VanDerWaalsContact C-ND2 3.35Å; E492-N496 WeakPolarHBondContact O-CB 3.42Å; E492-N496 VanDerWaalsContact O-CG 3.28Å; E492-N496 PolarHBondContact O-N 3.46Å; E492-N496 PolarHBondContact O-ND2 2.66Å; E492-K659 IonicContact OE1-NZ 2.76Å; E492-K659 PolarHBondContact OE1-NZ 3.32Å; E492-K659 IonicContact OE2-NZ 3.8Å
493L69.9Low70.7Confident74 Ų7455.1 Ų55.139%0.38729%0.294SS..Hα-helixtrans-57.9-46.3178.1-177.865.4000112R489 R490 A495 N496 S497R489-L493 VanDerWaalsContact O-CB 3.32Å; R489-L493 WeakPolarHBondContact O-CB 3.5Å; R489-L493 PolarHBondContact O-N 2.79Å; R490-L493 PolarHBondContact O-N 3.18Å; L493-A495 PolarHBondContact O-N 3.19Å; L493-N496 PolarHBondContact O-N 3.11Å; L493-S497 PolarHBondContact O-N 3.08Å
494D70.9Confident68.6Low75 Ų7556.9 Ų56.940%0.40131%0.309SS..Hα-helixtrans-60-44175.5-83.8-8000111.8R490 E492 S497R490-D494 PolarHBondContact O-N 2.84Å; E492-D494 PolarHBondContact O-N 3.1Å; D494-S497 PolarHBondContact O-N 2.99Å; D494-S497 PolarHBondContact O-OG 3.02Å
495A69.2Low66.2Low9 Ų960.1 Ų60.17%0.07433%0.332CS..Hα-helixtrans-67.2-42.2178.600000112.2L491 E492 L493 S497 R498 I667L491-A495 WeakPolarHBondContact O-CB 3.17Å; L491-A495 PolarHBondContact O-N 2.79Å; E492-A495 PolarHBondContact O-N 2.88Å; L493-A495 PolarHBondContact O-N 3.19Å; A495-S497 VanDerWaalsContact C-N 3.25Å; A495-S497 PolarHBondContact O-N 3.16Å; A495-R498 PolarHBondContact O-N 2.93Å; A495-I667 HydrophobicContact CB-CD1 4.36Å; A495-I667 HydrophobicContact CB-CG1 4.45Å; A495-I667 HydrophobicContact CB-CG2 3.56Å
496N62.1Low64.2Low29 Ų2960.5 Ų60.516%0.15534%0.335CS..Hα-helixtrans-60.6-34.2173.8-73-64.4000111.8E492 L493 R498 Q499 W663 R664 I667E492-N496 VanDerWaalsContact C-ND2 3.35Å; E492-N496 WeakPolarHBondContact O-CB 3.42Å; E492-N496 VanDerWaalsContact O-CG 3.28Å; E492-N496 PolarHBondContact O-N 3.46Å; E492-N496 PolarHBondContact O-ND2 2.66Å; L493-N496 PolarHBondContact O-N 3.11Å; N496-R498 PolarHBondContact O-N 3.1Å; N496-Q499 PolarHBondContact O-N 3.39Å; N496-W663 HydrophobicContact CB-CZ3 4.49Å; N496-R664 VanDerWaalsContact CG-NH1 3.26Å; N496-R664 PolarHBondContact ND2-NH1 3.44Å; N496-R664 PolarHBondContact OD1-NH1 2.96Å; N496-I667 WeakPolarHBondContact OD1-CD1 3.37Å
497S59.2Low62.4Low91 Ų9159.7 Ų59.764%0.63633%0.331SS*.Hα-helixtrans-66.9-22.6179.981.20000114.3L493 D494 A495L493-S497 PolarHBondContact O-N 3.08Å; D494-S497 PolarHBondContact O-N 2.99Å; D494-S497 PolarHBondContact O-OG 3.02Å; A495-S497 VanDerWaalsContact C-N 3.25Å; A495-S497 PolarHBondContact O-N 3.16Å
498R63.2Low60.3Low189 Ų18963.7 Ų63.771%0.71336%0.355SS*.THydrogen-bonded Turntrans-89.2-13.3-178-65.5-179.6-178.9-152.91.5113.8A495 N496A495-R498 PolarHBondContact O-N 2.93Å; N496-R498 PolarHBondContact O-N 3.1Å
499Q53.2Low58.3Low69 Ų6968.1 Ų68.132%0.32238%0.378SS..SBendtrans-92146.8-175.8-67.2-72.3-2.900111.2N496 W663N496-Q499 PolarHBondContact O-N 3.39Å; Q499-W663 HydrophobicContact CB-CH2 3.59Å; Q499-W663 HydrophobicContact CB-CZ2 3.16Å; Q499-W663 HydrophobicContact CB-CZ3 4.4Å; Q499-W663 HydrophobicContact CG-CZ2 4.4Å
500P50.3Low56.6Low97 Ų9766.6 Ų66.663%0.6338%0.376SS*.  trans-75.1132.5178.630.6-33.7000111W663P500-W663 WeakPolarHBondContact O-CZ2 3.42Å; P500-W663 PolarHBondContact O-NE1 3.3Å
501T50.8Low54.9Low127 Ų12762.7 Ų62.778%0.77936%0.363SS*.  trans-31.5130.6-172.151.20000114.4N503T501-N503 PolarHBondContact O-N 2.93Å; T501-N503 VanDerWaalsContact O-N 3.13Å
502P45.7Very low53Low74 Ų7465 Ų6548%0.48138%0.383SS..  trans-57.8120.4-169.122.8-34.4000111.6W663P502-W663 HydrophobicContact CB-CB 4.26Å; P502-W663 HydrophobicContact CB-CD2 3.91Å; P502-W663 HydrophobicContact CB-CE3 4.26Å; P502-W663 HydrophobicContact CB-CG 3.97Å
503N47Very low51.4Low89 Ų8964.6 Ų64.648%0.47638%0.383SS..  trans-65.4154.5173.660.219.9000110.6T501 S505 A506 A507T501-N503 PolarHBondContact O-N 2.93Å; T501-N503 VanDerWaalsContact O-N 3.13Å; N503-S505 VanDerWaalsContact CG-OG 3.26Å; N503-S505 PolarHBondContact O-N 3.05Å; N503-S505 VanDerWaalsContact O-N 3.16Å; N503-S505 PolarHBondContact OD1-OG 3.45Å; N503-S505 VanDerWaalsContact OD1-OG 3.06Å; N503-A506 PolarHBondContact O-N 2.99Å; N503-A506 VanDerWaalsContact O-N 3.13Å; N503-A506 WeakPolarHBondContact OD1-CB 3.48Å; N503-A506 PolarHBondContact OD1-N 3.49Å; N503-A507 PolarHBondContact O-N 2.98Å; N503-A507 VanDerWaalsContact O-N 3.12Å
504A46.8Very low50.1Low49 Ų4962.4 Ų62.441%0.40538%0.376SS..Hα-helixtrans-58.5-32.2-176.400000112.5T508A504-T508 WeakPolarHBondContact O-CB 3.42Å; A504-T508 PolarHBondContact O-N 3.49Å; A504-T508 PolarHBondContact O-OG1 3.33Å
505S41.2Very low48.8Very low70 Ų7062.1 Ų62.149%0.4938%0.377SS..Hα-helixtrans-64.9-47.6175.347.60000112.3N503 A507 T508 I509N503-S505 VanDerWaalsContact CG-OG 3.26Å; N503-S505 PolarHBondContact O-N 3.05Å; N503-S505 VanDerWaalsContact O-N 3.16Å; N503-S505 PolarHBondContact OD1-OG 3.45Å; N503-S505 VanDerWaalsContact OD1-OG 3.06Å; S505-A507 PolarHBondContact O-N 3.23Å; S505-T508 CarbonylContact O-C 3.52Å; S505-T508 WeakPolarHBondContact O-CA 3.44Å; S505-T508 WeakPolarHBondContact O-CB 3.43Å; S505-T508 PolarHBondContact O-N 2.94Å; S505-T508 VanDerWaalsContact O-N 3.07Å; S505-I509 WeakPolarHBondContact O-CG1 3.37Å; S505-I509 PolarHBondContact O-N 3.13Å
506A45Very low47.4Very low8 Ų864 Ų647%0.06639%0.393CS..Hα-helixtrans-72.4-28.6-179.400000113.1N503 T508 A510 W663N503-A506 PolarHBondContact O-N 2.99Å; N503-A506 VanDerWaalsContact O-N 3.13Å; N503-A506 WeakPolarHBondContact OD1-CB 3.48Å; N503-A506 PolarHBondContact OD1-N 3.49Å; A506-T508 VanDerWaalsContact C-N 3.33Å; A506-A510 WeakPolarHBondContact O-CB 3.35Å; A506-A510 PolarHBondContact O-N 3.42Å; A506-W663 HydrophobicContact CB-CB 3.71Å
507A46.2Very low46.5Very low29 Ų2963.3 Ų63.324%0.2439%0.391CS..Hα-helixtrans-65.4-37166.200000111.9N503 S505 A510 A511N503-A507 PolarHBondContact O-N 2.98Å; N503-A507 VanDerWaalsContact O-N 3.12Å; S505-A507 PolarHBondContact O-N 3.23Å; A507-A510 PolarHBondContact O-N 3.19Å; A507-A511 PolarHBondContact O-N 2.89Å
508T43.8Very low45.6Very low83 Ų8361.1 Ų61.151%0.50938%0.378SS..Hα-helixtrans-71-37.9175.6-54.20000111.8A504 S505 A506 A511 A512A504-T508 WeakPolarHBondContact O-CB 3.42Å; A504-T508 PolarHBondContact O-N 3.49Å; A504-T508 PolarHBondContact O-OG1 3.33Å; S505-T508 CarbonylContact O-C 3.52Å; S505-T508 WeakPolarHBondContact O-CA 3.44Å; S505-T508 WeakPolarHBondContact O-CB 3.43Å; S505-T508 PolarHBondContact O-N 2.94Å; S505-T508 VanDerWaalsContact O-N 3.07Å; A506-T508 VanDerWaalsContact C-N 3.33Å; T508-A511 WeakPolarHBondContact O-CB 3.49Å; T508-A511 PolarHBondContact O-N 3.17Å; T508-A512 WeakPolarHBondContact O-CB 3.37Å; T508-A512 PolarHBondContact O-N 3.39Å
509I42.8Very low44.4Very low94 Ų9459.6 Ų59.648%0.48238%0.379SS..Hα-helixtrans-64.8-41.8172.8-65.8162.9000109.8S505 A511 A512 S513S505-I509 WeakPolarHBondContact O-CG1 3.37Å; S505-I509 PolarHBondContact O-N 3.13Å; I509-A511 VanDerWaalsContact C-N 3.33Å; I509-A511 PolarHBondContact O-N 2.86Å; I509-A512 PolarHBondContact O-N 2.86Å; I509-S513 WeakPolarHBondContact O-CB 3.3Å; I509-S513 PolarHBondContact O-N 3.29Å; I509-S513 PolarHBondContact O-OG 2.97Å; I509-S513 VanDerWaalsContact O-OG 3.09Å
510A45Very low43.8Very low14 Ų1459.8 Ų59.812%0.11639%0.393CS..Hα-helixtrans-59.4-43.4173.900000112.2A506 A507 S513 A514 G661A506-A510 WeakPolarHBondContact O-CB 3.35Å; A506-A510 PolarHBondContact O-N 3.42Å; A507-A510 PolarHBondContact O-N 3.19Å; A510-S513 PolarHBondContact O-N 2.95Å; A510-A514 PolarHBondContact O-N 3.11Å; A510-G661 VanDerWaalsContact CB-O 3.29Å; A510-G661 WeakPolarHBondContact CB-O 3.27Å
511A43.9Very low43.2Very low9 Ų958.1 Ų58.17%0.07439%0.394CS..Hα-helixtrans-58.8-49.5172.600000112A507 T508 I509 S513 A514 V515 T623 T627A507-A511 PolarHBondContact O-N 2.89Å; T508-A511 WeakPolarHBondContact O-CB 3.49Å; T508-A511 PolarHBondContact O-N 3.17Å; I509-A511 VanDerWaalsContact C-N 3.33Å; I509-A511 PolarHBondContact O-N 2.86Å; A511-S513 VanDerWaalsContact C-N 3.33Å; A511-S513 PolarHBondContact O-N 3.3Å; A511-A514 PolarHBondContact O-N 2.64Å; A511-V515 WeakPolarHBondContact O-CG2 3.47Å; A511-V515 PolarHBondContact O-N 2.86Å; A511-T623 HydrophobicContact CB-CG2 4.41Å; A511-T627 HydrophobicContact CB-CG2 3.61Å; A511-T627 WeakPolarHBondContact CB-OG1 3.4Å
512A42Very low42.9Very low58 Ų5854.8 Ų54.848%0.47937%0.368SS..Hα-helixtrans-63.1-37.4-179.900000112.1T508 I509 A516T508-A512 WeakPolarHBondContact O-CB 3.37Å; T508-A512 PolarHBondContact O-N 3.39Å; I509-A512 PolarHBondContact O-N 2.86Å; A512-A516 WeakPolarHBondContact O-CB 3.21Å; A512-A516 PolarHBondContact O-N 3.48Å
513S40.9Very low42.4Very low19 Ų1954.8 Ų54.813%0.13337%0.37CS..Hα-helixtrans-65.6-43.3173.2-64.80000112.5I509 A510 A511 A516 A517 G661I509-S513 WeakPolarHBondContact O-CB 3.3Å; I509-S513 PolarHBondContact O-N 3.29Å; I509-S513 PolarHBondContact O-OG 2.97Å; I509-S513 VanDerWaalsContact O-OG 3.09Å; A510-S513 PolarHBondContact O-N 2.95Å; A511-S513 VanDerWaalsContact C-N 3.33Å; A511-S513 PolarHBondContact O-N 3.3Å; S513-A516 PolarHBondContact O-N 3.25Å; S513-A517 WeakPolarHBondContact O-CB 3.29Å; S513-A517 PolarHBondContact O-N 2.96Å; S513-G661 VanDerWaalsContact CB-CA 3.49Å; S513-G661 WeakPolarHBondContact OG-CA 3.03Å
514A43.4Very low41.6Very low29 Ų2955.4 Ų55.424%0.2438%0.377CS..Hα-helixtrans-65.3-38.9176.400000112A510 A511 A518 A658A510-A514 PolarHBondContact O-N 3.11Å; A511-A514 PolarHBondContact O-N 2.64Å; A514-A518 PolarHBondContact O-N 3.48Å; A514-A518 VanDerWaalsContact O-N 3.11Å; A514-A658 HydrophobicContact CB-CB 4.17Å
515V43.5Very low40.5Very low68 Ų6857.6 Ų57.641%0.41238%0.382SS..Hα-helixtrans-66.3-48172.8173.30000111A511 A517 A518 E519A511-V515 WeakPolarHBondContact O-CG2 3.47Å; A511-V515 PolarHBondContact O-N 2.86Å; V515-A517 PolarHBondContact O-N 3.48Å; V515-A518 CarbonylContact O-C 3.51Å; V515-A518 WeakPolarHBondContact O-CA 3.38Å; V515-A518 WeakPolarHBondContact O-CB 3.33Å; V515-A518 PolarHBondContact O-N 3.35Å; V515-E519 HydrophobicContact CG1-CG 4.25Å; V515-E519 WeakPolarHBondContact O-CG 3.36Å; V515-E519 PolarHBondContact O-N 3.21Å
516A40.3Very low39.6Very low50 Ų5059.2 Ų59.241%0.41339%0.389SS..Hα-helixtrans-62.3-32178.800000112.4A512 S513 A520A512-A516 WeakPolarHBondContact O-CB 3.21Å; A512-A516 PolarHBondContact O-N 3.48Å; S513-A516 PolarHBondContact O-N 3.25Å; A516-A520 VanDerWaalsContact O-CB 3.23Å; A516-A520 WeakPolarHBondContact O-CB 3.41Å; A516-A520 PolarHBondContact O-N 3.36Å
517A41.7Very low38.5Very low13 Ų1367.6 Ų67.611%0.10743%0.427CS..Hα-helixtrans-66.3-46.8170.600000111.5S513 V515 E519 A520 F522 A657S513-A517 WeakPolarHBondContact O-CB 3.29Å; S513-A517 PolarHBondContact O-N 2.96Å; V515-A517 PolarHBondContact O-N 3.48Å; A517-E519 VanDerWaalsContact C-N 3.31Å; A517-E519 PolarHBondContact O-N 2.95Å; A517-A520 PolarHBondContact O-N 2.95Å; A517-F522 HydrophobicContact CB-CD2 4Å; A517-F522 WeakPolarHBondContact O-CB 3.39Å; A517-F522 VanDerWaalsContact O-CD2 3.3Å; A517-F522 WeakPolarHBondContact O-CD2 3.22Å; A517-F522 PolarHBondContact O-N 2.92Å; A517-A657 HydrophobicContact CB-CB 3.68Å
518A41Very low37.4Very low46 Ų4672.1 Ų72.138%0.3845%0.451SS..Hα-helixtrans-59.8-40.3174.300000112.2A514 V515 G521 V524A514-A518 PolarHBondContact O-N 3.48Å; A514-A518 VanDerWaalsContact O-N 3.11Å; V515-A518 CarbonylContact O-C 3.51Å; V515-A518 WeakPolarHBondContact O-CA 3.38Å; V515-A518 WeakPolarHBondContact O-CB 3.33Å; V515-A518 PolarHBondContact O-N 3.35Å; A518-G521 PolarHBondContact O-N 3.3Å; A518-V524 HydrophobicContact CB-CG2 3.87Å
519E37.4Very low36.2Very low156 Ų15672.8 Ų72.873%0.72946%0.459SS*.Hα-helixtrans-68.3-33.2175.9-71.3-178.5161.700113.1V515 A517 G521V515-E519 HydrophobicContact CG1-CG 4.25Å; V515-E519 WeakPolarHBondContact O-CG 3.36Å; V515-E519 PolarHBondContact O-N 3.21Å; A517-E519 VanDerWaalsContact C-N 3.31Å; A517-E519 PolarHBondContact O-N 2.95Å; E519-G521 PolarHBondContact O-N 3.24Å; E519-G521 VanDerWaalsContact O-N 3.11Å
520A41.4Very low35.3Very low73 Ų7377 Ų7760%0.60348%0.476SS*.THydrogen-bonded Turntrans-71.64.3175.400000113.9A516 A517 F522A516-A520 VanDerWaalsContact O-CB 3.23Å; A516-A520 WeakPolarHBondContact O-CB 3.41Å; A516-A520 PolarHBondContact O-N 3.36Å; A517-A520 PolarHBondContact O-N 2.95Å; A520-F522 HydrophobicContact CB-CD2 4.1Å; A520-F522 HydrophobicContact CB-CE2 4.21Å
521G37.8Very low34.2Very low63 Ų6382.4 Ų82.465%0.64951%0.507SS*.THydrogen-bonded Turntrans82.312.6177.800000114.4A518 E519 S523A518-G521 PolarHBondContact O-N 3.3Å; E519-G521 PolarHBondContact O-N 3.24Å; E519-G521 VanDerWaalsContact O-N 3.11Å; G521-S523 PolarHBondContact O-N 3.25Å
522F43.8Very low33.2Very low56 Ų5687.6 Ų87.625%0.24654%0.543CS..  trans-64125.1164.9-68.7-76.3000108.4A517 A520 V524 L674 V679A517-F522 HydrophobicContact CB-CD2 4Å; A517-F522 WeakPolarHBondContact O-CB 3.39Å; A517-F522 VanDerWaalsContact O-CD2 3.3Å; A517-F522 WeakPolarHBondContact O-CD2 3.22Å; A517-F522 PolarHBondContact O-N 2.92Å; A520-F522 HydrophobicContact CB-CD2 4.1Å; A520-F522 HydrophobicContact CB-CE2 4.21Å; F522-V524 VanDerWaalsContact C-N 3.34Å; F522-V524 PolarHBondContact O-N 3.36Å; F522-L674 HydrophobicContact CZ-CD2 4.36Å; F522-V679 HydrophobicContact CE1-CG1 3.65Å; F522-V679 HydrophobicContact CE2-CG1 4.32Å; F522-V679 HydrophobicContact CZ-CG1 3.45Å; F522-V679 VanDerWaalsContact CZ-CG1 3.45Å
523S36.3Very low32.2Very low74 Ų7487 Ų8752%0.51754%0.543SS..  trans-72.982.4-169.1-165.10000111.9G521 N525G521-S523 PolarHBondContact O-N 3.25Å; S523-N525 PolarHBondContact O-N 2.88Å
524V30.2Very low31.4Very low103 Ų10394 Ų9462%0.62458%0.577SS**  trans-73.266.3166.3-172.40000108.3A518 F522A518-V524 HydrophobicContact CB-CG2 3.87Å; F522-V524 VanDerWaalsContact C-N 3.34Å; F522-V524 PolarHBondContact O-N 3.36Å
525N23.2Very low30.3Very low94 Ų9496 Ų9650%0.50360%0.601SS.*  trans-78.7133.7-164.4-144.5-13000110.8S523S523-N525 PolarHBondContact O-N 2.88Å
526T22.6Very low29.5Very low104 Ų10499.1 Ų99.164%0.63862%0.62SS**SBendtrans66.2112.2-179.937.60000118.2
527Q21.4Very low28.5Very low185 Ų185105.2 Ų105.286%0.86464%0.64SS**SBendtrans88.538.4159.5-52.6-166.35.500121.9
528V23.2Very low27.8Very low123 Ų123112.2 Ų112.275%0.74568%0.676SS**  trans-137.792.3151.6-170.20000111
529S19.3Very low26.9Very low97 Ų97116.9 Ų116.968%0.67869%0.694SS**  trans-87.7142.5179.9-56.40000112.6
530H22Very low26.2Very low183 Ų183114.3 Ų114.385%0.84769%0.693SS**  trans65.685.5166.1-52-69000117.8
531V22.2Very low25.3Very low127 Ų127120.6 Ų120.677%0.7771%0.707SS**  trans-125.2117.2152.9-179.20000108.6
532S23.7Very low24.9Very low119 Ų119127.5 Ų127.583%0.83272%0.715SS**  trans-141.4147.9177.365.40000111.2
533G21.5Very low24.1Very low46 Ų46131.8 Ų131.847%0.47474%0.741SS.*  trans114.792.1151.500000117.8
534I23.3Very low23.7Very low164 Ų164136.3 Ų136.384%0.84175%0.754SS**  64.3122128.4-61.4162000117.3
535G21.2Very low23.6Very low73 Ų73138.9 Ų138.975%0.75376%0.764SS**  trans-77.6147170.300000113.2
536V25.4Very low23.9Very low133 Ų133138.8 Ų138.881%0.80678%0.776SS**  trans-139.3137.8160.5176.20000107.4
537E20.2Very low24.3Very low178 Ų178137.9 Ų137.983%0.83278%0.779SS**  trans-65.8133.7177.2-56.9166.7158.500110.7
538N26Very low25.1Very low160 Ų160131.3 Ų131.386%0.85676%0.761SS**  trans-160.9108.1152.2-99.8-34.3000110.6
539N21.9Very low25.9Very low143 Ų143130.1 Ų130.177%0.76576%0.756SS**  trans-72.4164.1159.9-95.9-32.6000109.9
540S23.5Very low26.6Very low102 Ų102133.6 Ų133.671%0.71376%0.762SS**  trans73.778.9178.370.80000116.9
541F23.2Very low27.4Very low205 Ų205130.2 Ų130.290%0.89975%0.75SS**  trans-167.471.1138.6-105-70.1000108.4
542Y29.3Very low28.5Very low208 Ų208126.5 Ų126.582%0.81673%0.73SS**  trans-121.9100.7174.4-73.6-75.6000108.4
543D25.8Very low29.5Very low146 Ų146123.2 Ų123.278%0.78171%0.709SS**SBendtrans-177.1-22.1146.2-99.1-19.7000113.9
544E29.3Very low30.4Very low170 Ų170123.4 Ų123.479%0.79470%0.701SS**G310 helixtrans-70-45.4-176.3-73-88.612200114A546 A547E544-A546 PolarHBondContact O-N 3.12Å; E544-A547 PolarHBondContact O-N 3.41Å; E544-A547 VanDerWaalsContact O-N 3.17Å
545D27.2Very low31.3Very low157 Ų157121.3 Ų121.384%0.8469%0.686SS**G310 helixtrans-75.6-5.3-174.4-74.9-27000114.6A547D545-A547 VanDerWaalsContact C-N 3.34Å
546A29.7Very low32.6Very low92 Ų92122.2 Ų122.276%0.7667%0.667SS**G310 helixtrans-82.6-13.9171.800000112.7E544E544-A546 PolarHBondContact O-N 3.12Å
547A31.6Very low33.3Very low84 Ų84117.4 Ų117.469%0.69464%0.638SS**SBendtrans-101.26.5-178.400000113.9E544 D545E544-A547 PolarHBondContact O-N 3.41Å; E544-A547 VanDerWaalsContact O-N 3.17Å; D545-A547 VanDerWaalsContact C-N 3.34Å
548G37.1Very low34.2Very low48 Ų48111.3 Ų111.350%0.49561%0.611SS.*SBendtrans-63.3130.817000000110.5
549P39.7Very low35.1Very low98 Ų98110.5 Ų110.564%0.63660%0.596SS**  trans-61.2146.3-177.325.2-34.3000111.3D551 S552P549-D551 PolarHBondContact O-N 3.11Å; P549-S552 PolarHBondContact O-N 2.98Å
550E35.5Very low36.2Very low169 Ų169107.1 Ų107.179%0.7958%0.578SS**THydrogen-bonded Turntrans-56.8-17.1-178.4-59.7-166.615500113.6S552E550-S552 VanDerWaalsContact C-N 3.32Å; E550-S552 PolarHBondContact O-N 2.83Å
551D38.2Very low37Very low112 Ų112102.6 Ų102.660%0.59955%0.546SS*.THydrogen-bonded Turntrans-81.55.7175.9-79.5-40.9000115.9P549 A553 R556P549-D551 PolarHBondContact O-N 3.11Å; D551-A553 PolarHBondContact O-N 3.08Å; D551-R556 PolarHBondContact O-NH1 3.25Å
552S45.6Very low37.8Very low50 Ų5094.5 Ų94.535%0.3552%0.521SS..  trans-47128.5166.4172.30000110P549 E550 V554 F555 R556P549-S552 PolarHBondContact O-N 2.98Å; E550-S552 VanDerWaalsContact C-N 3.32Å; E550-S552 PolarHBondContact O-N 2.83Å; S552-V554 PolarHBondContact O-N 3.22Å; S552-F555 PolarHBondContact O-N 3.07Å; S552-R556 PolarHBondContact O-N 2.8Å
553A43.7Very low38.4Very low49 Ų4986.9 Ų86.941%0.40550%0.501SS..Hα-helixtrans-56.2-30.8-17400000112.4D551 V557D551-A553 PolarHBondContact O-N 3.08Å; A553-V557 WeakPolarHBondContact O-CB 3.2Å; A553-V557 WeakPolarHBondContact O-CG2 3.25Å; A553-V557 PolarHBondContact O-N 2.82Å
554V40.3Very low39.1Very low50 Ų5081.5 Ų81.530%0.30348%0.475SS..Hα-helixtrans-66.5-47.9174.8-176.80000111.3S552 V557 L558 A592S552-V554 PolarHBondContact O-N 3.22Å; V554-V557 PolarHBondContact O-N 2.83Å; V554-L558 HydrophobicContact CG1-CD1 4.06Å; V554-L558 HydrophobicContact CG1-CG 4.48Å; V554-L558 WeakPolarHBondContact O-CB 3.08Å; V554-L558 VanDerWaalsContact O-CG 3.29Å; V554-L558 WeakPolarHBondContact O-CG 3.29Å; V554-L558 PolarHBondContact O-N 3.25Å; V554-A592 HydrophobicContact CG2-CB 4.33Å
555F42.9Very low39.6Very low121 Ų12174.2 Ų74.253%0.53144%0.442SS..Hα-helixtrans-65.7-41.4178.2-85.5-64.9000112.4S552 L558 R559S552-F555 PolarHBondContact O-N 3.07Å; F555-L558 PolarHBondContact O-N 2.76Å; F555-R559 VanDerWaalsContact O-CB 3.3Å; F555-R559 WeakPolarHBondContact O-CB 3.05Å; F555-R559 PolarHBondContact O-N 3.36Å
556R47.7Very low40.2Very low91 Ų9174.5 Ų74.534%0.34343%0.431SS..Hα-helixtrans-60.4-46.7174-177.1170.964.5-97.9-6111.4D551 S552 L558 R559 D560D551-R556 PolarHBondContact O-NH1 3.25Å; S552-R556 PolarHBondContact O-N 2.8Å; R556-L558 PolarHBondContact O-N 2.88Å; R556-R559 WeakPolarHBondContact O-CB 3.32Å; R556-R559 PolarHBondContact O-N 3.1Å; R556-D560 WeakPolarHBondContact CG-OD2 3.39Å; R556-D560 WeakPolarHBondContact O-CB 3.38Å; R556-D560 PolarHBondContact O-N 2.96Å
557V40.9Very low40.5Very low32 Ų3274.9 Ų74.919%0.19442%0.42CS..Hα-helixtrans-69.4-34.1-180175.20000112.3A553 V554 A561 A585 A588A553-V557 WeakPolarHBondContact O-CB 3.2Å; A553-V557 WeakPolarHBondContact O-CG2 3.25Å; A553-V557 PolarHBondContact O-N 2.82Å; V554-V557 PolarHBondContact O-N 2.83Å; V557-A561 WeakPolarHBondContact O-CB 3.28Å; V557-A561 PolarHBondContact O-N 3.16Å; V557-A585 VanDerWaalsContact CG1-CA 3.44Å; V557-A585 HydrophobicContact CG1-CB 3.64Å; V557-A588 HydrophobicContact CG1-CB 4.31Å; V557-A588 HydrophobicContact CG2-CB 4.19Å
558L39.6Very low40.9Very low51 Ų5172 Ų7227%0.26740%0.395SS..Hα-helixtrans-65.5-40.6170.8-74.3173.4000112.4V554 F555 R556 G562 T628V554-L558 HydrophobicContact CG1-CD1 4.06Å; V554-L558 HydrophobicContact CG1-CG 4.48Å; V554-L558 WeakPolarHBondContact O-CB 3.08Å; V554-L558 VanDerWaalsContact O-CG 3.29Å; V554-L558 WeakPolarHBondContact O-CG 3.29Å; V554-L558 PolarHBondContact O-N 3.25Å; F555-L558 PolarHBondContact O-N 2.76Å; R556-L558 PolarHBondContact O-N 2.88Å; L558-G562 PolarHBondContact O-N 2.99Å; L558-T628 HydrophobicContact CD1-CG2 4.3Å
559R44.7Very low40.8Very low142 Ų14274.5 Ų74.554%0.53639%0.393SS..Hα-helixtrans-63.5-47174.8-178.4-175.770-165.93111.3F555 R556 G562 A563F555-R559 VanDerWaalsContact O-CB 3.3Å; F555-R559 WeakPolarHBondContact O-CB 3.05Å; F555-R559 PolarHBondContact O-N 3.36Å; R556-R559 WeakPolarHBondContact O-CB 3.32Å; R556-R559 PolarHBondContact O-N 3.1Å; R559-G562 PolarHBondContact O-N 3.1Å; R559-A563 VanDerWaalsContact O-CB 3.29Å; R559-A563 WeakPolarHBondContact O-CB 3.3Å; R559-A563 PolarHBondContact O-N 2.66Å
560D44.2Very low40.5Very low72 Ų7276.7 Ų76.739%0.38540%0.399SS..Hα-helixtrans-70.7-34-178.1-60.8-9.5000110.9R556 S564R556-D560 WeakPolarHBondContact CG-OD2 3.39Å; R556-D560 WeakPolarHBondContact O-CB 3.38Å; R556-D560 PolarHBondContact O-N 2.96Å; D560-S564 VanDerWaalsContact O-CB 3.3Å; D560-S564 WeakPolarHBondContact O-CB 3.37Å; D560-S564 PolarHBondContact O-N 3Å; D560-S564 PolarHBondContact O-OG 3.31Å
561A40.4Very low40.4Very low7 Ų773.7 Ų73.76%0.05839%0.387CS..Hα-helixtrans-66.1-50170.100000111.6V557 A563 S564 T565 A581V557-A561 WeakPolarHBondContact O-CB 3.28Å; V557-A561 PolarHBondContact O-N 3.16Å; A561-A563 VanDerWaalsContact C-N 3.31Å; A561-A563 PolarHBondContact O-N 2.94Å; A561-S564 CarbonylContact O-C 3.58Å; A561-S564 WeakPolarHBondContact O-CA 3.45Å; A561-S564 WeakPolarHBondContact O-CB 3.34Å; A561-S564 PolarHBondContact O-N 2.8Å; A561-S564 VanDerWaalsContact O-N 3.07Å; A561-T565 PolarHBondContact O-N 3.32Å; A561-T565 PolarHBondContact O-OG1 3.21Å; A561-T565 VanDerWaalsContact O-OG1 3.11Å; A561-A581 HydrophobicContact CB-CB 4.37Å
562G41Very low39.9Very low35 Ų3570.7 Ų70.736%0.36138%0.383SS..Hα-helixtrans-61.8-35177.100000113.8L558 R559 R566L558-G562 PolarHBondContact O-N 2.99Å; R559-G562 PolarHBondContact O-N 3.1Å; G562-R566 PolarHBondContact O-N 3.41Å; G562-R566 VanDerWaalsContact O-N 3.13Å
563A42.1Very low39.4Very low48 Ų4873.3 Ų73.340%0.39739%0.392SS..Hα-helixtrans-67.9-40.4171.700000111.9R559 A561 R566 L567R559-A563 VanDerWaalsContact O-CB 3.29Å; R559-A563 WeakPolarHBondContact O-CB 3.3Å; R559-A563 PolarHBondContact O-N 2.66Å; A561-A563 VanDerWaalsContact C-N 3.31Å; A561-A563 PolarHBondContact O-N 2.94Å; A563-R566 PolarHBondContact O-N 2.8Å; A563-L567 WeakPolarHBondContact O-CG 3.28Å; A563-L567 PolarHBondContact O-N 2.96Å
564S38.8Very low39Very low33 Ų3375.1 Ų75.123%0.23140%0.4CS..Hα-helixtrans-65.4-40176.3-57.40000111.8D560 A561 L567 C568D560-S564 VanDerWaalsContact O-CB 3.3Å; D560-S564 WeakPolarHBondContact O-CB 3.37Å; D560-S564 PolarHBondContact O-N 3Å; D560-S564 PolarHBondContact O-OG 3.31Å; A561-S564 CarbonylContact O-C 3.58Å; A561-S564 WeakPolarHBondContact O-CA 3.45Å; A561-S564 WeakPolarHBondContact O-CB 3.34Å; A561-S564 PolarHBondContact O-N 2.8Å; A561-S564 VanDerWaalsContact O-N 3.07Å; S564-L567 PolarHBondContact O-N 3.15Å; S564-C568 PolarHBondContact O-N 3.42Å
565T40.5Very low38.9Very low17 Ų1775.4 Ų75.410%0.10440%0.401CS..Hα-helixtrans-61.8-46.5173.5-54.50000111.4A561 L567 C568 E569 T635A561-T565 PolarHBondContact O-N 3.32Å; A561-T565 PolarHBondContact O-OG1 3.21Å; A561-T565 VanDerWaalsContact O-OG1 3.11Å; T565-L567 VanDerWaalsContact C-N 3.28Å; T565-L567 PolarHBondContact O-N 3.12Å; T565-C568 WeakPolarHBondContact O-CB 3.46Å; T565-C568 PolarHBondContact O-N 3.34Å; T565-C568 VanDerWaalsContact O-N 3.09Å; T565-E569 PolarHBondContact O-N 2.71Å; T565-T635 WeakPolarHBondContact CG2-O 3.31Å
566R39.1Very low38.8Very low163 Ų16377 Ų7762%0.61541%0.411SS*.Hα-helixtrans-60.1-33.8174.2-81.1-179.6171.5170.7-1.9113.6G562 A563 L570G562-R566 PolarHBondContact O-N 3.41Å; G562-R566 VanDerWaalsContact O-N 3.13Å; A563-R566 PolarHBondContact O-N 2.8Å; R566-L570 PolarHBondContact O-N 3.24Å
567L37.9Very low38.4Very low100 Ų10075.2 Ų75.252%0.52442%0.415SS..Hα-helixtrans-69.8-35.9174.5-75.6167.8000112.1A563 S564 T565 L570 I571A563-L567 WeakPolarHBondContact O-CG 3.28Å; A563-L567 PolarHBondContact O-N 2.96Å; S564-L567 PolarHBondContact O-N 3.15Å; T565-L567 VanDerWaalsContact C-N 3.28Å; T565-L567 PolarHBondContact O-N 3.12Å; L567-L570 PolarHBondContact O-N 3.38Å; L567-I571 WeakPolarHBondContact O-CB 3.38Å; L567-I571 WeakPolarHBondContact O-CG1 3.5Å; L567-I571 PolarHBondContact O-N 3.43Å
568C39.6Very low38.3Very low24 Ų2474.4 Ų74.416%0.16241%0.411CS..Hα-helixtrans-66.8-38.4172.4-72.60000112.7S564 T565 L570 I571 G572 T575 A578S564-C568 PolarHBondContact O-N 3.42Å; T565-C568 WeakPolarHBondContact O-CB 3.46Å; T565-C568 PolarHBondContact O-N 3.34Å; T565-C568 VanDerWaalsContact O-N 3.09Å; C568-L570 VanDerWaalsContact C-N 3.26Å; C568-L570 PolarHBondContact O-N 3.01Å; C568-I571 PolarHBondContact O-N 2.93Å; C568-G572 PolarHBondContact O-N 3.47Å; C568-T575 PolarHBondContact SG-OG1 3.25Å; C568-A578 VanDerWaalsContact SG-CB 3.58Å
569E34.9Very low38.4Very low100 Ų10077 Ų7747%0.46743%0.43SS..Hα-helixtrans-58.6-37.4172.1-69.5178.9152.100112.2T565T565-E569 PolarHBondContact O-N 2.71Å
570L32.6Very low38.4Very low145 Ų14573.7 Ų73.776%0.75942%0.422SS*.Hα-helixtrans-79.8-29-178.4-94.4158.6000114.8R566 L567 C568R566-L570 PolarHBondContact O-N 3.24Å; L567-L570 PolarHBondContact O-N 3.38Å; C568-L570 VanDerWaalsContact C-N 3.26Å; C568-L570 PolarHBondContact O-N 3.01Å
571I33.2Very low38.2Very low106 Ų10671 Ų7154%0.54441%0.41SS..Hα-helixtrans-106.7-13.5-170.8-62175.3000112.2L567 C568 I573L567-I571 WeakPolarHBondContact O-CB 3.38Å; L567-I571 WeakPolarHBondContact O-CG1 3.5Å; L567-I571 PolarHBondContact O-N 3.43Å; C568-I571 PolarHBondContact O-N 2.93Å; I571-I573 HydrophobicContact CG2-CB 4.48Å; I571-I573 HydrophobicContact CG2-CD1 4.39Å; I571-I573 HydrophobicContact CG2-CG1 4.46Å; I571-I573 PolarHBondContact O-N 2.86Å
572G28.8Very low38.2Very low49 Ų4972.7 Ų72.751%0.50542%0.424SS..  trans68.45.2172.600000115.1C568 P639C568-G572 PolarHBondContact O-N 3.47Å; G572-P639 WeakPolarHBondContact O-CB 3.37Å
573I34.6Very low38.3Very low104 Ų10472.7 Ų72.753%0.53342%0.423SS..SBendtrans-108.2130.2174.8-61.9174.1000107.1I571 T575I571-I573 HydrophobicContact CG2-CB 4.48Å; I571-I573 HydrophobicContact CG2-CD1 4.39Å; I571-I573 HydrophobicContact CG2-CG1 4.46Å; I571-I573 PolarHBondContact O-N 2.86Å; I573-T575 HydrophobicContact CG2-CG2 4.38Å; I573-T575 PolarHBondContact O-N 2.86Å
574P34.9Very low38.4Very low88 Ų8877 Ų7757%0.57143%0.433SS*.  trans-75.881.2174.930.9-25.6000107Q576 P639P574-Q576 PolarHBondContact O-N 2.89Å; P574-P639 HydrophobicContact CB-CG 3.68Å; P574-P639 VanDerWaalsContact CD-CG 3.43Å; P574-P639 HydrophobicContact CG-CG 3.59Å
575T38.5Very low38.5Very low56 Ų5676.2 Ų76.234%0.34443%0.429SS..  trans-60.3131.3179.764.20000108C568 I573 A577 A578C568-T575 PolarHBondContact SG-OG1 3.25Å; I573-T575 HydrophobicContact CG2-CG2 4.38Å; I573-T575 PolarHBondContact O-N 2.86Å; T575-A577 PolarHBondContact O-N 2.87Å; T575-A578 PolarHBondContact O-N 3.35Å
576Q40.8Very low38.6Very low155 Ų15578.2 Ų78.272%0.72445%0.447SS*.Hα-helixtrans-48.9-28.2173.6-142.617622.400110.8P574 A578 T579 I580P574-Q576 PolarHBondContact O-N 2.89Å; Q576-A578 PolarHBondContact O-N 2.96Å; Q576-T579 PolarHBondContact O-N 3.44Å; Q576-I580 HydrophobicContact CB-CD1 4.14Å; Q576-I580 HydrophobicContact CG-CD1 4Å; Q576-I580 WeakPolarHBondContact O-CB 3.28Å; Q576-I580 WeakPolarHBondContact O-CD1 3.25Å; Q576-I580 WeakPolarHBondContact O-CG1 3.49Å; Q576-I580 PolarHBondContact O-N 3.48Å
577A39.1Very low38.8Very low53 Ų5374.6 Ų74.644%0.43844%0.443SS..Hα-helixtrans-54.7-35.5172.300000115.2T575 A581T575-A577 PolarHBondContact O-N 2.87Å; A577-A581 WeakPolarHBondContact O-CB 3.33Å; A577-A581 PolarHBondContact O-N 2.86Å
578A39.2Very low39Very low14 Ų1471.2 Ų71.212%0.11643%0.429CS..Hα-helixtrans-72.2-46.3177.300000111.9C568 T575 Q576 I580 A581 A582C568-A578 VanDerWaalsContact SG-CB 3.58Å; T575-A578 PolarHBondContact O-N 3.35Å; Q576-A578 PolarHBondContact O-N 2.96Å; A578-I580 VanDerWaalsContact C-N 3.3Å; A578-I580 PolarHBondContact O-N 2.74Å; A578-A581 PolarHBondContact O-N 2.87Å; A578-A581 VanDerWaalsContact O-N 3.1Å; A578-A582 PolarHBondContact O-N 3.28Å
579T41.7Very low39.1Very low106 Ų10671.1 Ų71.165%0.6543%0.431SS*.Hα-helixtrans-63-39.1173.7-32.90000111.1Q576 G583Q576-T579 PolarHBondContact O-N 3.44Å; T579-G583 PolarHBondContact O-N 3.4Å
580I44.6Very low39.4Very low73 Ų7368.9 Ų68.937%0.37443%0.426SS..Hα-helixtrans-66.7-35.2172.6-71.6165.8000111.3Q576 A578 K584Q576-I580 HydrophobicContact CB-CD1 4.14Å; Q576-I580 HydrophobicContact CG-CD1 4Å; Q576-I580 WeakPolarHBondContact O-CB 3.28Å; Q576-I580 WeakPolarHBondContact O-CD1 3.25Å; Q576-I580 WeakPolarHBondContact O-CG1 3.49Å; Q576-I580 PolarHBondContact O-N 3.48Å; A578-I580 VanDerWaalsContact C-N 3.3Å; A578-I580 PolarHBondContact O-N 2.74Å; I580-K584 HydrophobicContact CG2-CD 3.78Å; I580-K584 VanDerWaalsContact CG2-CE 3.43Å; I580-K584 HydrophobicContact CG2-CG 4.25Å; I580-K584 WeakPolarHBondContact O-CB 3.36Å; I580-K584 WeakPolarHBondContact O-CG 3.47Å; I580-K584 PolarHBondContact O-N 3.36Å
581A40.5Very low39.9Very low16 Ų1665.4 Ų65.413%0.13241%0.411CS..Hα-helixtrans-70.8-42.9176.900000111.3A561 A577 A578 K584 A585A561-A581 HydrophobicContact CB-CB 4.37Å; A577-A581 WeakPolarHBondContact O-CB 3.33Å; A577-A581 PolarHBondContact O-N 2.86Å; A578-A581 PolarHBondContact O-N 2.87Å; A578-A581 VanDerWaalsContact O-N 3.1Å; A581-K584 CarbonylContact O-C 3.58Å; A581-K584 PolarHBondContact O-N 3.34Å; A581-A585 WeakPolarHBondContact O-CB 3.29Å; A581-A585 PolarHBondContact O-N 2.85Å
582A40.7Very low40.2Very low42 Ų4262 Ų6235%0.34740%0.398SS..Hα-helixtrans-62.6-44.6172.100000111.7A578 A585 A586A578-A582 PolarHBondContact O-N 3.28Å; A582-A585 WeakPolarHBondContact O-CB 3.27Å; A582-A585 PolarHBondContact O-N 2.83Å; A582-A585 VanDerWaalsContact O-N 3.16Å; A582-A586 PolarHBondContact O-N 2.86Å
583G41.7Very low40.5Very low34 Ų3463.2 Ų63.235%0.35139%0.393SS..Hα-helixtrans-61.8-44173.500000112.7T579 A585 A586 V587T579-G583 PolarHBondContact O-N 3.4Å; G583-A585 VanDerWaalsContact C-N 3.29Å; G583-A585 PolarHBondContact O-N 3.3Å; G583-A586 PolarHBondContact O-N 2.64Å; G583-V587 WeakPolarHBondContact O-CB 3.4Å; G583-V587 VanDerWaalsContact O-CG2 3.3Å; G583-V587 WeakPolarHBondContact O-CG2 3.38Å; G583-V587 PolarHBondContact O-N 3.41Å
584K44Very low40.6Very low138 Ų13864.3 Ų64.360%0.640%0.399SS*.Hα-helixtrans-64.4-30.9172.6-77.9171.7-180173.40112.2I580 A581 A588I580-K584 HydrophobicContact CG2-CD 3.78Å; I580-K584 VanDerWaalsContact CG2-CE 3.43Å; I580-K584 HydrophobicContact CG2-CG 4.25Å; I580-K584 WeakPolarHBondContact O-CB 3.36Å; I580-K584 WeakPolarHBondContact O-CG 3.47Å; I580-K584 PolarHBondContact O-N 3.36Å; A581-K584 CarbonylContact O-C 3.58Å; A581-K584 PolarHBondContact O-N 3.34Å; K584-A588 WeakPolarHBondContact O-CA 3.18Å; K584-A588 WeakPolarHBondContact O-CB 3.33Å; K584-A588 PolarHBondContact O-N 3.02Å
585A41Very low40.7Very low18 Ų1864.9 Ų64.915%0.14940%0.401CS..Hα-helixtrans-69-46.2173.400000111.8V557 A581 A582 G583 V587 A588 A589V557-A585 VanDerWaalsContact CG1-CA 3.44Å; V557-A585 HydrophobicContact CG1-CB 3.64Å; A581-A585 WeakPolarHBondContact O-CB 3.29Å; A581-A585 PolarHBondContact O-N 2.85Å; A582-A585 WeakPolarHBondContact O-CB 3.27Å; A582-A585 PolarHBondContact O-N 2.83Å; A582-A585 VanDerWaalsContact O-N 3.16Å; G583-A585 VanDerWaalsContact C-N 3.29Å; G583-A585 PolarHBondContact O-N 3.3Å; A585-V587 VanDerWaalsContact C-N 3.35Å; A585-V587 PolarHBondContact O-N 3.05Å; A585-A588 PolarHBondContact O-N 3Å; A585-A589 VanDerWaalsContact O-CB 3.32Å; A585-A589 WeakPolarHBondContact O-CB 3.44Å; A585-A589 PolarHBondContact O-N 3.19Å
586A42.5Very low40.3Very low58 Ų5867.3 Ų67.348%0.47942%0.416SS..Hα-helixtrans-60.6-42.9173.700000111.9A582 G583 S590A582-A586 PolarHBondContact O-N 2.86Å; G583-A586 PolarHBondContact O-N 2.64Å; A586-S590 PolarHBondContact O-N 3.35Å
587V44.2Very low39.8Very low87 Ų8763.3 Ų63.353%0.52742%0.417SS..Hα-helixtrans-71.1-39.4176.8173.40000112.2G583 A585 A589 S590 V591G583-V587 WeakPolarHBondContact O-CB 3.4Å; G583-V587 VanDerWaalsContact O-CG2 3.3Å; G583-V587 WeakPolarHBondContact O-CG2 3.38Å; G583-V587 PolarHBondContact O-N 3.41Å; A585-V587 VanDerWaalsContact C-N 3.35Å; A585-V587 PolarHBondContact O-N 3.05Å; V587-A589 VanDerWaalsContact C-N 3.33Å; V587-A589 PolarHBondContact O-N 3.14Å; V587-S590 PolarHBondContact O-N 2.92Å; V587-S590 PolarHBondContact O-OG 3.23Å; V587-S590 VanDerWaalsContact O-OG 3.04Å; V587-V591 HydrophobicContact CG1-CG2 4.15Å; V587-V591 WeakPolarHBondContact O-CB 3.38Å; V587-V591 VanDerWaalsContact O-CG2 3.24Å; V587-V591 WeakPolarHBondContact O-CG2 3.43Å; V587-V591 PolarHBondContact O-N 2.93Å
588A42.2Very low39.1Very low29 Ų2963.5 Ų63.524%0.2442%0.424CS..Hα-helixtrans-65.9-37.817600000111.5V557 K584 A585 A592V557-A588 HydrophobicContact CG1-CB 4.31Å; V557-A588 HydrophobicContact CG2-CB 4.19Å; K584-A588 WeakPolarHBondContact O-CA 3.18Å; K584-A588 WeakPolarHBondContact O-CB 3.33Å; K584-A588 PolarHBondContact O-N 3.02Å; A585-A588 PolarHBondContact O-N 3Å; A588-A592 VanDerWaalsContact O-CB 3.3Å; A588-A592 WeakPolarHBondContact O-CB 3.32Å; A588-A592 PolarHBondContact O-N 3.45Å
589A41.3Very low38.7Very low23 Ų2369.6 Ų69.619%0.1946%0.46CS..Hα-helixtrans-63.1-45.2171.300000111.6A585 V587 A592 L593 A625A585-A589 VanDerWaalsContact O-CB 3.32Å; A585-A589 WeakPolarHBondContact O-CB 3.44Å; A585-A589 PolarHBondContact O-N 3.19Å; V587-A589 VanDerWaalsContact C-N 3.33Å; V587-A589 PolarHBondContact O-N 3.14Å; A589-A592 PolarHBondContact O-N 3.2Å; A589-L593 VanDerWaalsContact O-CG 3.32Å; A589-L593 WeakPolarHBondContact O-CG 3.41Å; A589-L593 PolarHBondContact O-N 2.85Å; A589-L593 VanDerWaalsContact O-N 3.11Å; A589-A625 HydrophobicContact CB-CB 4.42Å
590S40.8Very low38Very low52 Ų5271.5 Ų71.536%0.36447%0.472SS..Hα-helixtrans-68.3-34.2177.977.20000113.3A586 V587 L593 N594A586-S590 PolarHBondContact O-N 3.35Å; V587-S590 PolarHBondContact O-N 2.92Å; V587-S590 PolarHBondContact O-OG 3.23Å; V587-S590 VanDerWaalsContact O-OG 3.04Å; S590-L593 PolarHBondContact O-N 2.8Å; S590-N594 PolarHBondContact O-N 3.49Å; S590-N594 PolarHBondContact O-ND2 2.89Å
591V43Very low37.2Very low73 Ų7372.5 Ų72.544%0.44249%0.49SS..Hα-helixtrans-71-39.5174.9170.40000111.5V587 L593 N594 T595V587-V591 HydrophobicContact CG1-CG2 4.15Å; V587-V591 WeakPolarHBondContact O-CB 3.38Å; V587-V591 VanDerWaalsContact O-CG2 3.24Å; V587-V591 WeakPolarHBondContact O-CG2 3.43Å; V587-V591 PolarHBondContact O-N 2.93Å; V591-L593 VanDerWaalsContact C-N 3.3Å; V591-L593 PolarHBondContact O-N 3.25Å; V591-N594 PolarHBondContact O-N 3.31Å; V591-N594 VanDerWaalsContact O-N 3.11Å; V591-T595 HydrophobicContact CG1-CG2 4.16Å; V591-T595 PolarHBondContact O-N 2.92Å; V591-T595 PolarHBondContact O-OG1 3.35Å
592A39.1Very low36.6Very low35 Ų3581 Ų8129%0.28952%0.524SS..Hα-helixtrans-62.8-36.1174.300000112.5V554 A588 A589 N594 T596V554-A592 HydrophobicContact CG2-CB 4.33Å; A588-A592 VanDerWaalsContact O-CB 3.3Å; A588-A592 WeakPolarHBondContact O-CB 3.32Å; A588-A592 PolarHBondContact O-N 3.45Å; A589-A592 PolarHBondContact O-N 3.2Å; A592-N594 VanDerWaalsContact C-N 3.32Å; A592-T596 PolarHBondContact O-OG1 2.88Å
593L36.2Very low36.2Very low73 Ų7388.1 Ų88.138%0.38255%0.55SS.*Hα-helixtrans-64.7-34.6172-70.7168000112.4A589 S590 V591 I617 V622A589-L593 VanDerWaalsContact O-CG 3.32Å; A589-L593 WeakPolarHBondContact O-CG 3.41Å; A589-L593 PolarHBondContact O-N 2.85Å; A589-L593 VanDerWaalsContact O-N 3.11Å; S590-L593 PolarHBondContact O-N 2.8Å; V591-L593 VanDerWaalsContact C-N 3.3Å; V591-L593 PolarHBondContact O-N 3.25Å; L593-I617 HydrophobicContact CD2-CG2 4.46Å; L593-V622 HydrophobicContact CD2-CG2 4.09Å
594N36.2Very low35.6Very low127 Ų12793.4 Ų93.468%0.67957%0.571SS**Hα-helixtrans-83.1-30.2-178.3-72.3-27.7000114S590 V591 A592S590-N594 PolarHBondContact O-N 3.49Å; S590-N594 PolarHBondContact O-ND2 2.89Å; V591-N594 PolarHBondContact O-N 3.31Å; V591-N594 VanDerWaalsContact O-N 3.11Å; A592-N594 VanDerWaalsContact C-N 3.32Å
595T36.8Very low34.9Very low100 Ų10091.8 Ų91.861%0.61358%0.577SS**Hα-helixtrans-83.4-20.1-173.447.60000114.7V591 G597V591-T595 HydrophobicContact CG1-CG2 4.16Å; V591-T595 PolarHBondContact O-N 2.92Å; V591-T595 PolarHBondContact O-OG1 3.35Å; T595-G597 PolarHBondContact O-N 2.91Å
596T31.5Very low34.4Very low107 Ų10796.7 Ų96.766%0.65661%0.61SS**THydrogen-bonded Turntrans-77-4176.1460000114A592A592-T596 PolarHBondContact O-OG1 2.88Å
597G28.7Very low33.7Very low71 Ų7197.3 Ų97.373%0.73262%0.622SS**THydrogen-bonded Turntrans-90.48.8-176.300000117.2T595T595-G597 PolarHBondContact O-N 2.91Å
598G25.8Very low32.9Very low58 Ų58101.3 Ų101.360%0.59864%0.639SS**  trans-151.270.4-163.200000118.7
599T29.4Very low32.1Very low142 Ų142105 Ų10587%0.87166%0.662SS**  trans-13394.5153.5440000111.1A601T599-A601 PolarHBondContact O-N 3.46Å
600V27.2Very low31.2Very low146 Ų146108.3 Ų108.389%0.88569%0.685SS**  trans-86.594.5175178.60000109
601A29.3Very low30.4Very low93 Ų93110.8 Ų110.877%0.76970%0.702SS**  trans-84.2127.5166.200000109.7T599T599-A601 PolarHBondContact O-N 3.46Å
602K26.2Very low29.7Very low194 Ų194114 Ų11484%0.84372%0.722SS**  trans-79.7129.8168.3-70.9170.8167.9-178.30108.7
603E33Very low29.2Very low192 Ų192121.1 Ų121.190%0.89775%0.746SS**  trans-140.5163.2150.1-73.6-159.7153.200110.3
604D28.8Very low28.8Very low146 Ų146123.3 Ų123.378%0.78177%0.765SS**  trans-102.1163.7-149.2-69.4-63.6000115.7
605S30.3Very low28.4Very low104 Ų104125.2 Ų125.273%0.72778%0.775SS**  trans60.7115.6147.359.20000121.1
606S30.4Very low28.2Very low121 Ų121125 Ų12585%0.84678%0.783SS**  trans59.4110.7138.360.20000121.1
607G27.3Very low28.3Very low71 Ų71124.8 Ų124.873%0.73278%0.777SS**  120.7115.3127.200000118.4
608I27.9Very low28.6Very low171 Ų171126.3 Ų126.388%0.87777%0.769SS**  trans79.3105.8149.2-51.9173.5000118.4
609S24.5Very low28.8Very low105 Ų105132.4 Ų132.473%0.73477%0.773SS**  trans72.6145.9140.6-157.50000122.8
610S23.4Very low29.1Very low94 Ų94128.7 Ų128.766%0.65775%0.753SS**  trans58.781.5164.751.70000119.5
611S23.8Very low29.5Very low104 Ų104124.4 Ų124.473%0.72773%0.73SS**  13.2105.912957.60000119.1
612V27.6Very low29.8Very low141 Ų141123.5 Ų123.586%0.85572%0.715SS**  trans-126.7124147.8179.50000106.9
613F28.3Very low30.4Very low183 Ų183117.7 Ų117.780%0.80370%0.695SS**PPolyproline II helixtrans-82.1146.6-179.7-82.2-87.9000111.1
614P28.7Very low30.5Very low120 Ų120115.1 Ų115.178%0.77968%0.677SS**PPolyproline II helixtrans-76.8147.3-171.930.8-35.4000113.2A616P614-A616 PolarHBondContact O-N 2.91Å
615N28.6Very low30.8Very low166 Ų166109.6 Ų109.689%0.88865%0.652SS**PPolyproline II helixtrans-57.2119.2-172.9-68.1-23.7000113.6
616A31.1Very low31.1Very low95 Ų95107.2 Ų107.279%0.78564%0.638SS**PPolyproline II helixtrans-73.5126.5165.700000109.9P614 N618P614-A616 PolarHBondContact O-N 2.91Å; A616-N618 PolarHBondContact O-N 3.15Å
617I33.2Very low31.4Very low104 Ų104102.3 Ų102.353%0.53360%0.604SS.*PPolyproline II helixtrans-53122.5176.5-65.8165.7000109.2L593 R619L593-I617 HydrophobicContact CD2-CG2 4.46Å; I617-R619 PolarHBondContact O-N 3.08Å
618N35.2Very low31.9Very low103 Ų103101 Ų10155%0.55158%0.582SS**PPolyproline II helixtrans-65.6118.4-166.9-166.7-9.9000110.9A616 S620 S621A616-N618 PolarHBondContact O-N 3.15Å; N618-S620 PolarHBondContact ND2-OG 3.42Å; N618-S620 PolarHBondContact O-N 3.37Å; N618-S620 PolarHBondContact OD1-N 2.88Å; N618-S620 PolarHBondContact OD1-OG 3.15Å; N618-S621 PolarHBondContact O-N 3.27Å; N618-S621 PolarHBondContact O-OG 2.86Å; N618-S621 VanDerWaalsContact O-OG 3.04Å
619R30.7Very low32.2Very low186 Ų18695.2 Ų95.270%0.70256%0.559SS**Hα-helixtrans-53.3-26.3-179.2-71.3178.1176.1171.4-2.6112.8I617 S621 V622 T623I617-R619 PolarHBondContact O-N 3.08Å; R619-S621 VanDerWaalsContact C-N 3.26Å; R619-S621 PolarHBondContact O-N 3.43Å; R619-V622 PolarHBondContact O-N 3.38Å; R619-T623 PolarHBondContact O-N 3.46Å; R619-T623 PolarHBondContact O-OG1 2.97Å
620S34.9Very low32.9Very low64 Ų6493.9 Ų93.945%0.44855%0.546SS..Hα-helixtrans-54.6-36.1175.566.30000113.8N618 T623 R624N618-S620 PolarHBondContact ND2-OG 3.42Å; N618-S620 PolarHBondContact O-N 3.37Å; N618-S620 PolarHBondContact OD1-N 2.88Å; N618-S620 PolarHBondContact OD1-OG 3.15Å; S620-T623 PolarHBondContact O-N 3.14Å; S620-R624 VanDerWaalsContact O-CB 3.29Å; S620-R624 WeakPolarHBondContact O-CB 3.29Å; S620-R624 PolarHBondContact O-N 3.28Å
621S37.1Very low33.6Very low56 Ų5692.5 Ų92.539%0.39253%0.531SS..Hα-helixtrans-71.1-38.3-179.668.60000112N618 R619 R624 A625N618-S621 PolarHBondContact O-N 3.27Å; N618-S621 PolarHBondContact O-OG 2.86Å; N618-S621 VanDerWaalsContact O-OG 3.04Å; R619-S621 VanDerWaalsContact C-N 3.26Å; R619-S621 PolarHBondContact O-N 3.43Å; S621-R624 PolarHBondContact O-N 2.96Å; S621-A625 WeakPolarHBondContact O-CB 3.35Å; S621-A625 PolarHBondContact O-N 3.46Å
622V35.1Very low34.3Very low74 Ų7488.6 Ų88.645%0.44851%0.505SS..Hα-helixtrans-63.5-48.3174-178.90000110.1L593 R619 R624 A625 A626L593-V622 HydrophobicContact CD2-CG2 4.09Å; R619-V622 PolarHBondContact O-N 3.38Å; V622-R624 VanDerWaalsContact C-N 3.33Å; V622-R624 PolarHBondContact O-N 3.07Å; V622-A625 PolarHBondContact O-N 3.34Å; V622-A626 WeakPolarHBondContact O-CB 3.39Å; V622-A626 PolarHBondContact O-N 3.07Å
623T38.1Very low34.7Very low72 Ų7283.5 Ų83.544%0.44248%0.481SS..Hα-helixtrans-57.4-47.1173.8-52.90000110.6A511 R619 S620 A625 A626 T627A511-T623 HydrophobicContact CB-CG2 4.41Å; R619-T623 PolarHBondContact O-N 3.46Å; R619-T623 PolarHBondContact O-OG1 2.97Å; S620-T623 PolarHBondContact O-N 3.14Å; T623-A625 PolarHBondContact O-N 3.07Å; T623-A626 PolarHBondContact O-N 3.19Å; T623-T627 VanDerWaalsContact O-CB 3.3Å; T623-T627 WeakPolarHBondContact O-CB 3.42Å; T623-T627 PolarHBondContact O-N 3.26Å; T623-T627 PolarHBondContact O-OG1 3.09Å
624R36.1Very low35.1Very low138 Ų13876.6 Ų76.652%0.52146%0.458SS..Hα-helixtrans-62.2-46.3-178.3-149.6172.9-176.1-168.1-2.1111.7S620 S621 V622 T627 T628S620-R624 VanDerWaalsContact O-CB 3.29Å; S620-R624 WeakPolarHBondContact O-CB 3.29Å; S620-R624 PolarHBondContact O-N 3.28Å; S621-R624 PolarHBondContact O-N 2.96Å; V622-R624 VanDerWaalsContact C-N 3.33Å; V622-R624 PolarHBondContact O-N 3.07Å; R624-T627 PolarHBondContact O-N 2.84Å; R624-T628 PolarHBondContact O-N 2.7Å; R624-T628 PolarHBondContact O-OG1 2.95Å
625A35.1Very low35.6Very low29 Ų2973 Ų7324%0.2443%0.433CS..Hα-helixtrans-63-48.4177.700000112.2A589 S621 V622 T623 T627 T628 A629A589-A625 HydrophobicContact CB-CB 4.42Å; S621-A625 WeakPolarHBondContact O-CB 3.35Å; S621-A625 PolarHBondContact O-N 3.46Å; V622-A625 PolarHBondContact O-N 3.34Å; T623-A625 PolarHBondContact O-N 3.07Å; A625-T627 VanDerWaalsContact C-N 3.34Å; A625-T627 PolarHBondContact O-N 3.23Å; A625-T628 WeakPolarHBondContact CA-OG1 3.39Å; A625-T628 PolarHBondContact O-N 3.43Å; A625-T628 PolarHBondContact O-OG1 2.82Å; A625-A629 WeakPolarHBondContact O-CB 3.3Å; A625-A629 PolarHBondContact O-N 3.21Å
626A37.1Very low36.3Very low54 Ų5467.8 Ų67.845%0.44641%0.41SS..Hα-helixtrans-60.3-43.1175.500000111.6V622 T623 A629 V630V622-A626 WeakPolarHBondContact O-CB 3.39Å; V622-A626 PolarHBondContact O-N 3.07Å; T623-A626 PolarHBondContact O-N 3.19Å; A626-A629 PolarHBondContact O-N 2.85Å; A626-V630 WeakPolarHBondContact O-CG2 3.27Å; A626-V630 PolarHBondContact O-N 3.42Å
627T36.8Very low37.3Very low19 Ų1965 Ų6512%0.11738%0.382CS..Hα-helixtrans-62.4-45.8176.1-50.30000111A511 T623 R624 A625 A629 V630 I631A511-T627 HydrophobicContact CB-CG2 3.61Å; A511-T627 WeakPolarHBondContact CB-OG1 3.4Å; T623-T627 VanDerWaalsContact O-CB 3.3Å; T623-T627 WeakPolarHBondContact O-CB 3.42Å; T623-T627 PolarHBondContact O-N 3.26Å; T623-T627 PolarHBondContact O-OG1 3.09Å; R624-T627 PolarHBondContact O-N 2.84Å; A625-T627 VanDerWaalsContact C-N 3.34Å; A625-T627 PolarHBondContact O-N 3.23Å; T627-A629 VanDerWaalsContact C-N 3.31Å; T627-A629 PolarHBondContact O-N 2.82Å; T627-V630 PolarHBondContact O-N 2.94Å; T627-I631 HydrophobicContact CG2-CD1 3.79Å; T627-I631 HydrophobicContact CG2-CG1 4.38Å; T627-I631 WeakPolarHBondContact O-CB 3.45Å; T627-I631 VanDerWaalsContact O-CG1 3.25Å; T627-I631 WeakPolarHBondContact O-CG1 3.45Å; T627-I631 PolarHBondContact O-N 3.08Å
628T35.9Very low38.3Very low44 Ų4461.2 Ų61.227%0.2736%0.364SS..Hα-helixtrans-66.2-31.7176.846.80000113L558 R624 A625 A632L558-T628 HydrophobicContact CD1-CG2 4.3Å; R624-T628 PolarHBondContact O-N 2.7Å; R624-T628 PolarHBondContact O-OG1 2.95Å; A625-T628 WeakPolarHBondContact CA-OG1 3.39Å; A625-T628 PolarHBondContact O-N 3.43Å; A625-T628 PolarHBondContact O-OG1 2.82Å; T628-A632 WeakPolarHBondContact O-CB 3.41Å; T628-A632 PolarHBondContact O-N 3.41Å
629A35.8Very low39.6Very low49 Ų4957.7 Ų57.741%0.40535%0.347SS..Hα-helixtrans-71.2-40174.100000111.8A625 A626 T627 A632 G633A625-A629 WeakPolarHBondContact O-CB 3.3Å; A625-A629 PolarHBondContact O-N 3.21Å; A626-A629 PolarHBondContact O-N 2.85Å; T627-A629 VanDerWaalsContact C-N 3.31Å; T627-A629 PolarHBondContact O-N 2.82Å; A629-A632 PolarHBondContact O-N 3.07Å; A629-G633 PolarHBondContact O-N 3.23Å
630V39.3Very low41.6Very low77 Ų7750.6 Ų50.647%0.46732%0.323SS..Hα-helixtrans-65.3-42.4172.5170.10000111A626 T627 G633 A634A626-V630 WeakPolarHBondContact O-CG2 3.27Å; A626-V630 PolarHBondContact O-N 3.42Å; T627-V630 PolarHBondContact O-N 2.94Å; V630-G633 PolarHBondContact O-N 3.42Å; V630-A634 WeakPolarHBondContact O-CB 3.13Å; V630-A634 PolarHBondContact O-N 3.06Å
631I36.8Very low43.6Very low64 Ų6451.1 Ų51.133%0.32832%0.321SS..Hα-helixtrans-64.3-44.5174.5-69.2167.1000110.6T627 A634 T635T627-I631 HydrophobicContact CG2-CD1 3.79Å; T627-I631 HydrophobicContact CG2-CG1 4.38Å; T627-I631 WeakPolarHBondContact O-CB 3.45Å; T627-I631 VanDerWaalsContact O-CG1 3.25Å; T627-I631 WeakPolarHBondContact O-CG1 3.45Å; T627-I631 PolarHBondContact O-N 3.08Å; I631-A634 PolarHBondContact O-N 2.66Å; I631-T635 WeakPolarHBondContact O-CG2 3.49Å; I631-T635 PolarHBondContact O-N 3.19Å; I631-T635 PolarHBondContact O-OG1 2.92Å
632A38.3Very low45.9Very low22 Ų2251.6 Ų51.618%0.18231%0.314CS..Hα-helixtrans-63.9-41.817800000111.7T628 A629 T635 S636T628-A632 WeakPolarHBondContact O-CB 3.41Å; T628-A632 PolarHBondContact O-N 3.41Å; A629-A632 PolarHBondContact O-N 3.07Å; A632-T635 WeakPolarHBondContact CA-OG1 3.41Å; A632-T635 CarbonylContact O-C 3.58Å; A632-T635 PolarHBondContact O-N 3.19Å; A632-T635 PolarHBondContact O-OG1 3.06Å; A632-S636 PolarHBondContact O-N 3.26Å
633G36.7Very low48Very low34 Ų3452.3 Ų52.335%0.35133%0.328SS..Hα-helixtrans-66.7-39.5174.800000113.3A629 V630 T635 S636A629-G633 PolarHBondContact O-N 3.23Å; V630-G633 PolarHBondContact O-N 3.42Å; G633-T635 VanDerWaalsContact C-N 3.26Å; G633-T635 PolarHBondContact O-N 3.23Å; G633-S636 WeakPolarHBondContact CA-OG 3.47Å; G633-S636 CarbonylContact O-C 3.6Å; G633-S636 PolarHBondContact O-N 3.18Å; G633-S636 VanDerWaalsContact O-N 3.15Å; G633-S636 PolarHBondContact O-OG 3.4Å
634A36.9Very low49.8Very low39 Ų3949.7 Ų49.732%0.32232%0.315SS..Hα-helixtrans-68.4-24.8172.300000112.5V630 I631V630-A634 WeakPolarHBondContact O-CB 3.13Å; V630-A634 PolarHBondContact O-N 3.06Å; I631-A634 PolarHBondContact O-N 2.66Å
635T38.8Very low52.1Low43 Ų4343.2 Ų43.226%0.26429%0.29SS..Hα-helixtrans-84.5-20168.654.30000113.7T565 I631 A632 G633 L637T565-T635 WeakPolarHBondContact CG2-O 3.31Å; I631-T635 WeakPolarHBondContact O-CG2 3.49Å; I631-T635 PolarHBondContact O-N 3.19Å; I631-T635 PolarHBondContact O-OG1 2.92Å; A632-T635 WeakPolarHBondContact CA-OG1 3.41Å; A632-T635 CarbonylContact O-C 3.58Å; A632-T635 PolarHBondContact O-N 3.19Å; A632-T635 PolarHBondContact O-OG1 3.06Å; G633-T635 VanDerWaalsContact C-N 3.26Å; G633-T635 PolarHBondContact O-N 3.23Å; T635-L637 PolarHBondContact O-N 2.75Å
636S42.9Very low54.6Low57 Ų5742.8 Ų42.840%0.39929%0.286SS..  trans-80.454.9166.168.20000110.5A632 G633A632-S636 PolarHBondContact O-N 3.26Å; G633-S636 WeakPolarHBondContact CA-OG 3.47Å; G633-S636 CarbonylContact O-C 3.6Å; G633-S636 PolarHBondContact O-N 3.18Å; G633-S636 VanDerWaalsContact O-N 3.15Å; G633-S636 PolarHBondContact O-OG 3.4Å
637L52.4Low56.8Low37 Ų3745.8 Ų45.819%0.19429%0.291CS..PPolyproline II helixtrans-58.1141.2165-76.4163.3000108.4R489 T635 L651R489-L637 HydrophobicContact CG-CD1 4.12Å; T635-L637 PolarHBondContact O-N 2.75Å; L637-L651 HydrophobicContact CD2-CB 4.41Å
638P55.1Low58.9Low24 Ų2444.9 Ų44.916%0.15629%0.285CS..PPolyproline II helixtrans-59.4156.3177.626.4-36000110.7R489 A648 L651R489-P638 PolarHBondContact NH1-O 2.93Å; R489-P638 PolarHBondContact NH2-O 3.42Å; R489-P638 VanDerWaalsContact NH2-O 3.14Å; P638-A648 HydrophobicContact CG-CB 3.79Å; P638-L651 HydrophobicContact CG-CD1 3.92Å
639P61.2Low61.3Low30 Ų3042.9 Ų42.920%0.19527%0.272CS..PPolyproline II helixtrans-54.2149.1170.5-8.918.8000110.1G572 P574 D641G572-P639 WeakPolarHBondContact O-CB 3.37Å; P574-P639 HydrophobicContact CB-CG 3.68Å; P574-P639 VanDerWaalsContact CD-CG 3.43Å; P574-P639 HydrophobicContact CG-CG 3.59Å; P639-D641 VanDerWaalsContact C-N 3.31Å; P639-D641 PolarHBondContact O-N 3.02Å; P639-D641 VanDerWaalsContact O-N 3.15Å
640L74.1Confident63.7Low37 Ų3742.5 Ų42.519%0.19426%0.261CS..  trans-8876.8175.4-68.3172.7000109.2I482 L485 R489 A648I482-L640 HydrophobicContact CG1-CB 4.33Å; I482-L640 HydrophobicContact CG2-CB 4.09Å; L485-L640 HydrophobicContact CB-CD1 3.83Å; L485-L640 HydrophobicContact CB-CD2 3.84Å; L485-L640 HydrophobicContact CD1-CD2 3.65Å; L485-L640 HydrophobicContact CG-CD2 4.41Å; R489-L640 VanDerWaalsContact NH2-CD2 3.32Å; L640-A648 HydrophobicContact CD2-CB 4.05Å
641D77Confident65.3Low75 Ų7541.2 Ų41.240%0.40125%0.251SS..  trans-101.2169.8169.674.6-25.6000111.2P639 A643 G644P639-D641 VanDerWaalsContact C-N 3.31Å; P639-D641 PolarHBondContact O-N 3.02Å; P639-D641 VanDerWaalsContact O-N 3.15Å; D641-A643 VanDerWaalsContact C-N 3.32Å; D641-G644 VanDerWaalsContact OD1-CA 3.23Å; D641-G644 WeakPolarHBondContact OD1-CA 3.34Å; D641-G644 PolarHBondContact OD1-N 3.08Å
642R84.2Confident67.3Low65 Ų6538.2 Ų38.225%0.24524%0.236CC..SBendtrans-73.4-23.9-179.4-64.1-179.4167.5-163.8-15.3112.3P473 C474 A478 D479 I482 Y698P473-R642 WeakPolarHBondContact O-CD 3.4Å; C474-R642 PolarHBondContact O-NH1 2.82Å; C474-R642 PolarHBondContact O-NH2 3.48Å; A478-R642 HydrophobicContact CB-CG 4.02Å; D479-R642 VanDerWaalsContact CG-NH2 3.31Å; D479-R642 IonicContact OD1-CZ 3.64Å; D479-R642 IonicContact OD1-NE 3.72Å; D479-R642 IonicContact OD1-NH2 2.74Å; D479-R642 PolarHBondContact OD1-NH2 2.91Å; D479-R642 IonicContact OD2-NH2 3.16Å; D479-R642 PolarHBondContact OD2-NH2 3.19Å; D479-R642 VanDerWaalsContact OD2-NH2 3.16Å; I482-R642 HydrophobicContact CD1-CG 4.14Å; R642-Y698 WeakPolarHBondContact O-CE2 3.46Å; R642-Y698 PolarHBondContact O-OH 3.43Å
643A79.6Confident69.4Low90 Ų9037.4 Ų37.474%0.74423%0.228SC*.SBendtrans-83.2-44.3-179.900000112.9D641 L645D641-A643 VanDerWaalsContact C-N 3.32Å; A643-L645 VanDerWaalsContact C-N 3.3Å; A643-L645 PolarHBondContact O-N 3.1Å
644G76.7Confident71.1Confident17 Ų1738.3 Ų38.318%0.17523%0.227CC..SBendtrans-82.64-179.100000115D641 S646 E647 A648D641-G644 VanDerWaalsContact OD1-CA 3.23Å; D641-G644 WeakPolarHBondContact OD1-CA 3.34Å; D641-G644 PolarHBondContact OD1-N 3.08Å; G644-S646 VanDerWaalsContact C-N 3.34Å; G644-S646 PolarHBondContact O-N 3.15Å; G644-E647 PolarHBondContact O-N 3.29Å; G644-A648 WeakPolarHBondContact O-CB 3.43Å; G644-A648 PolarHBondContact O-N 3.43Å
645L84.6Confident72.5Confident1 Ų137.7 Ų37.71%0.00522%0.22CC..Hα-helixtrans-58.2-40-172.2-168.563.4000113.9A478 F481 I482 L485 A643 A648 L649 Y698A478-L645 HydrophobicContact CB-CD2 4.34Å; F481-L645 HydrophobicContact CB-CD1 3.86Å; F481-L645 HydrophobicContact CB-CD2 3.89Å; F481-L645 HydrophobicContact CB-CG 4.23Å; F481-L645 HydrophobicContact CD2-CD2 4.14Å; F481-L645 HydrophobicContact CG-CD2 4.36Å; I482-L645 HydrophobicContact CG1-CD1 3.84Å; L485-L645 HydrophobicContact CD1-CD1 4.36Å; A643-L645 VanDerWaalsContact C-N 3.3Å; A643-L645 PolarHBondContact O-N 3.1Å; L645-A648 PolarHBondContact O-N 3.45Å; L645-L649 HydrophobicContact CG-CD1 4.26Å; L645-L649 WeakPolarHBondContact O-CB 3.49Å; L645-L649 WeakPolarHBondContact O-CG 3.17Å; L645-L649 PolarHBondContact O-N 2.93Å; L645-Y698 HydrophobicContact CD2-CE1 4.34Å; L645-Y698 WeakPolarHBondContact CD2-OH 3.28Å
646S87.6Confident73.9Confident20 Ų2035.6 Ų35.614%0.1421%0.207CC..Hα-helixtrans-59.7-45.7173.7-71.80000112.3G644 L649 W650 S696 V697G644-S646 VanDerWaalsContact C-N 3.34Å; G644-S646 PolarHBondContact O-N 3.15Å; S646-L649 PolarHBondContact O-N 3.42Å; S646-W650 VanDerWaalsContact O-CB 3.29Å; S646-W650 WeakPolarHBondContact O-CB 3.44Å; S646-W650 PolarHBondContact O-N 2.98Å; S646-S696 WeakPolarHBondContact OG-CA 3.07Å; S646-V697 WeakPolarHBondContact OG-CG2 3.42Å; S646-V697 PolarHBondContact OG-N 3.1Å
647E82.2Confident74.8Confident118 Ų11833.4 Ų33.455%0.55119%0.193SC*.Hα-helixtrans-70.5-38.9-179.6-175.1172.7-166.100110.9G644 L649 W650 L651G644-E647 PolarHBondContact O-N 3.29Å; E647-L649 PolarHBondContact O-N 3.02Å; E647-W650 PolarHBondContact O-N 3.36Å; E647-L651 HydrophobicContact CG-CD1 3.96Å; E647-L651 HydrophobicContact CG-CG 4.36Å; E647-L651 VanDerWaalsContact O-CB 3.29Å; E647-L651 WeakPolarHBondContact O-CB 3.46Å; E647-L651 WeakPolarHBondContact O-CG 3.49Å; E647-L651 PolarHBondContact O-N 2.87Å
648A80.4Confident74.7Confident0 Ų033.3 Ų33.30%020%0.197CC..Hα-helixtrans-60.7-43.6174.300000112.4P638 L640 G644 L645 H652P638-A648 HydrophobicContact CG-CB 3.79Å; L640-A648 HydrophobicContact CD2-CB 4.05Å; G644-A648 WeakPolarHBondContact O-CB 3.43Å; G644-A648 PolarHBondContact O-N 3.43Å; L645-A648 PolarHBondContact O-N 3.45Å; A648-H652 VanDerWaalsContact O-CB 3.22Å; A648-H652 WeakPolarHBondContact O-CB 3.31Å; A648-H652 PolarHBondContact O-N 2.98Å
649L87.5Confident74.6Confident1 Ų133.2 Ų33.21%0.00519%0.194CC..Hα-helixtrans-67-47.4174.3-77.6164.4000111.6F481 L485 L645 S646 E647 L651 H652 I653 V697 L712F481-L649 HydrophobicContact CD1-CD1 3.78Å; F481-L649 HydrophobicContact CD1-CD2 3.85Å; F481-L649 HydrophobicContact CD1-CG 4.42Å; F481-L649 HydrophobicContact CD2-CD1 4.47Å; F481-L649 HydrophobicContact CE1-CD1 3.95Å; F481-L649 HydrophobicContact CE1-CD2 4.19Å; F481-L649 HydrophobicContact CG-CD1 4.06Å; F481-L649 HydrophobicContact CZ-CD1 4.37Å; L485-L649 HydrophobicContact CD1-CD2 3.82Å; L485-L649 HydrophobicContact CD1-CG 4.04Å; L485-L649 HydrophobicContact CD2-CD2 4.3Å; L485-L649 HydrophobicContact CG-CD2 4.34Å; L645-L649 HydrophobicContact CG-CD1 4.26Å; L645-L649 WeakPolarHBondContact O-CB 3.49Å; L645-L649 WeakPolarHBondContact O-CG 3.17Å; L645-L649 PolarHBondContact O-N 2.93Å; S646-L649 PolarHBondContact O-N 3.42Å; E647-L649 PolarHBondContact O-N 3.02Å; L649-L651 PolarHBondContact O-N 3.18Å; L649-H652 PolarHBondContact O-N 3.26Å; L649-I653 WeakPolarHBondContact O-CB 3.35Å; L649-I653 WeakPolarHBondContact O-CD1 3.42Å; L649-I653 VanDerWaalsContact O-CG1 3.28Å; L649-I653 WeakPolarHBondContact O-CG1 3.41Å; L649-I653 PolarHBondContact O-N 3.01Å; L649-V697 HydrophobicContact CD1-CG1 4.25Å; L649-V697 HydrophobicContact CD1-CG2 3.6Å; L649-L712 HydrophobicContact CD2-CD1 3.95Å
650W85Confident74Confident41 Ų4132.5 Ų32.516%0.15519%0.192CC..Hα-helixtrans-59.4-44.8178.6178.176.9000112.1S646 E647 T654 V689 L692 K693S646-W650 VanDerWaalsContact O-CB 3.29Å; S646-W650 WeakPolarHBondContact O-CB 3.44Å; S646-W650 PolarHBondContact O-N 2.98Å; E647-W650 PolarHBondContact O-N 3.36Å; W650-T654 HydrophobicContact CD2-CG2 4.4Å; W650-T654 HydrophobicContact CZ2-CG2 4.13Å; W650-T654 WeakPolarHBondContact O-CB 3.39Å; W650-T654 WeakPolarHBondContact O-CG2 3.25Å; W650-T654 PolarHBondContact O-N 2.89Å; W650-T654 PolarHBondContact O-OG1 3.36Å; W650-V689 VanDerWaalsContact CD1-O 3.28Å; W650-L692 HydrophobicContact CB-CB 4.4Å; W650-K693 HydrophobicContact CZ2-CD 3.98Å
651L72.9Confident72.5Confident51 Ų5130.9 Ų30.927%0.26718%0.184SC..Hα-helixtrans-66.1-42.5175.8-76.1172.4000112.2L637 P638 E647 L649 S655L637-L651 HydrophobicContact CD2-CB 4.41Å; P638-L651 HydrophobicContact CG-CD1 3.92Å; E647-L651 HydrophobicContact CG-CD1 3.96Å; E647-L651 HydrophobicContact CG-CG 4.36Å; E647-L651 VanDerWaalsContact O-CB 3.29Å; E647-L651 WeakPolarHBondContact O-CB 3.46Å; E647-L651 WeakPolarHBondContact O-CG 3.49Å; E647-L651 PolarHBondContact O-N 2.87Å; L649-L651 PolarHBondContact O-N 3.18Å; L651-S655 WeakPolarHBondContact O-CB 3.39Å; L651-S655 PolarHBondContact O-N 3.41Å; L651-S655 PolarHBondContact O-OG 2.87Å
652H80.1Confident71Confident1 Ų128.2 Ų28.21%0.00518%0.175CC..Hα-helixtrans-59.1-48.5176.2176.596.8000111.3L485 A648 L649 S655 A656 K659 E715L485-H652 HydrophobicContact CD2-CB 4.29Å; A648-H652 VanDerWaalsContact O-CB 3.22Å; A648-H652 WeakPolarHBondContact O-CB 3.31Å; A648-H652 PolarHBondContact O-N 2.98Å; L649-H652 PolarHBondContact O-N 3.26Å; H652-S655 PolarHBondContact O-OG 2.9Å; H652-A656 PolarHBondContact O-N 3.4Å; H652-K659 PolarHBondContact CE1-NZ 3.33Å; H652-E715 IonicContact CD2-OE2 3.74Å; H652-E715 IonicContact CE1-OE1 3.08Å; H652-E715 PolarHBondContact CE1-OE1 3.47Å; H652-E715 IonicContact CE1-OE2 3.67Å; H652-E715 IonicContact NE2-OE1 2.99Å; H652-E715 PolarHBondContact NE2-OE1 2.83Å; H652-E715 IonicContact NE2-OE2 2.77Å; H652-E715 PolarHBondContact NE2-OE2 3.3Å
653I81.6Confident69Low5 Ų526.8 Ų26.83%0.02617%0.169CC..Hα-helixtrans-66.3-49179.9-65.5159.7000111.4L649 S655 A656 L681 A682 V689 L692 L708L649-I653 WeakPolarHBondContact O-CB 3.35Å; L649-I653 WeakPolarHBondContact O-CD1 3.42Å; L649-I653 VanDerWaalsContact O-CG1 3.28Å; L649-I653 WeakPolarHBondContact O-CG1 3.41Å; L649-I653 PolarHBondContact O-N 3.01Å; I653-S655 PolarHBondContact O-N 3.47Å; I653-A656 WeakPolarHBondContact O-CB 3.27Å; I653-A656 PolarHBondContact O-N 3.4Å; I653-L681 HydrophobicContact CD1-CD2 3.59Å; I653-L681 HydrophobicContact CG1-CD2 4.01Å; I653-L681 HydrophobicContact CG2-CD2 4.19Å; I653-A682 HydrophobicContact CG2-CB 4.16Å; I653-V689 HydrophobicContact CG2-CG1 4.33Å; I653-V689 HydrophobicContact CG2-CG2 3.95Å; I653-L692 HydrophobicContact CD1-CD1 3.9Å; I653-L708 HydrophobicContact CD1-CD2 3.96Å
654T72.2Confident67.3Low53 Ų5325.9 Ų25.933%0.32515%0.147SC..Hα-helixtrans-72.4-25.4-176.1540000113.8W650 V689W650-T654 HydrophobicContact CD2-CG2 4.4Å; W650-T654 HydrophobicContact CZ2-CG2 4.13Å; W650-T654 WeakPolarHBondContact O-CB 3.39Å; W650-T654 WeakPolarHBondContact O-CG2 3.25Å; W650-T654 PolarHBondContact O-N 2.89Å; W650-T654 PolarHBondContact O-OG1 3.36Å; T654-V689 HydrophobicContact CG2-CG1 3.91Å
655S66Low66Low25 Ų2525.5 Ų25.518%0.17514%0.143CC..Hα-helixtrans-87.8-7.9173.867.70000114.3L651 H652 I653 A657 A658 K659L651-S655 WeakPolarHBondContact O-CB 3.39Å; L651-S655 PolarHBondContact O-N 3.41Å; L651-S655 PolarHBondContact O-OG 2.87Å; H652-S655 PolarHBondContact O-OG 2.9Å; I653-S655 PolarHBondContact O-N 3.47Å; S655-A657 VanDerWaalsContact C-N 3.26Å; S655-A657 PolarHBondContact O-N 2.9Å; S655-A658 WeakPolarHBondContact O-CA 3.36Å; S655-A658 WeakPolarHBondContact O-CB 3.37Å; S655-A658 PolarHBondContact O-N 3.39Å; S655-K659 PolarHBondContact O-N 2.92Å
656A69.5Low64.5Low0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-54.9-38.4-178.800000113.4H652 I653 A658 K659 G660 S678 V679H652-A656 PolarHBondContact O-N 3.4Å; I653-A656 WeakPolarHBondContact O-CB 3.27Å; I653-A656 PolarHBondContact O-N 3.4Å; A656-A658 PolarHBondContact O-N 3.48Å; A656-K659 WeakPolarHBondContact O-CA 3.38Å; A656-K659 VanDerWaalsContact O-CB 3.26Å; A656-K659 WeakPolarHBondContact O-CB 3.24Å; A656-K659 PolarHBondContact O-N 3.22Å; A656-G660 PolarHBondContact O-N 3.45Å; A656-S678 VanDerWaalsContact CB-CB 3.4Å; A656-V679 HydrophobicContact CB-CG2 4.06Å
657A60.1Low62.9Low11 Ų1131.1 Ų31.19%0.09117%0.167CC..Hα-helixtrans-62.9-25.7175.500000113.6A517 S655 L673 V679A517-A657 HydrophobicContact CB-CB 3.68Å; S655-A657 VanDerWaalsContact C-N 3.26Å; S655-A657 PolarHBondContact O-N 2.9Å; A657-L673 VanDerWaalsContact O-CD2 3.25Å; A657-L673 WeakPolarHBondContact O-CD2 3.47Å; A657-V679 HydrophobicContact CB-CG2 3.98Å
658A51.1Low61.6Low34 Ų3426.3 Ų26.328%0.28114%0.144SC..Hα-helixtrans-82.1-18.4171.700000112.8A514 S655 A656A514-A658 HydrophobicContact CB-CB 4.17Å; S655-A658 WeakPolarHBondContact O-CA 3.36Å; S655-A658 WeakPolarHBondContact O-CB 3.37Å; S655-A658 PolarHBondContact O-N 3.39Å; A656-A658 PolarHBondContact O-N 3.48Å
659K52.4Low60.5Low23 Ų2329.2 Ų29.210%0.117%0.174CC..Hα-helixtrans-72.1-47.4172.4-60.1-177.8-178.5-170.80112.1E492 H652 S655 A656 G661 R664 W668 E715E492-K659 IonicContact OE1-NZ 2.76Å; E492-K659 PolarHBondContact OE1-NZ 3.32Å; E492-K659 IonicContact OE2-NZ 3.8Å; H652-K659 PolarHBondContact CE1-NZ 3.33Å; S655-K659 PolarHBondContact O-N 2.92Å; A656-K659 WeakPolarHBondContact O-CA 3.38Å; A656-K659 VanDerWaalsContact O-CB 3.26Å; A656-K659 WeakPolarHBondContact O-CB 3.24Å; A656-K659 PolarHBondContact O-N 3.22Å; K659-G661 PolarHBondContact O-N 2.77Å; K659-G661 VanDerWaalsContact O-N 3.11Å; K659-R664 WeakPolarHBondContact O-CB 3.39Å; K659-W668 HydrophobicContact CB-CH2 3.87Å; K659-W668 HydrophobicContact CB-CZ3 4.41Å; K659-W668 HydrophobicContact CD-CH2 3.92Å; K659-W668 HydrophobicContact CD-CZ2 4.33Å; K659-E715 IonicContact NZ-OE1 2.77Å; K659-E715 PolarHBondContact NZ-OE1 3.15Å
660G49.1Very low59Low15 Ų1531.9 Ų31.916%0.15520%0.202CC..SBendtrans-70.1-7-171.600000115.3A656A656-G660 PolarHBondContact O-N 3.45Å
661G43.2Very low57.8Low2 Ų231.8 Ų31.82%0.02121%0.206CC..SBendtrans-75.9130.7178.500000113.7A510 S513 K659A510-G661 VanDerWaalsContact CB-O 3.29Å; A510-G661 WeakPolarHBondContact CB-O 3.27Å; S513-G661 VanDerWaalsContact CB-CA 3.49Å; S513-G661 WeakPolarHBondContact OG-CA 3.03Å; K659-G661 PolarHBondContact O-N 2.77Å; K659-G661 VanDerWaalsContact O-N 3.11Å
662G45.3Very low57.4Low20 Ų2037.3 Ų37.321%0.20622%0.223CC..G310 helixtrans66-131.6167.400000114.9R664 G665G662-R664 PolarHBondContact O-N 3.27Å; G662-R664 VanDerWaalsContact O-N 3.16Å; G662-G665 PolarHBondContact O-N 3.48Å
663W41.1Very low56.5Low34 Ų3439.8 Ų39.813%0.12924%0.236CC..G310 helixtrans-59.7-29.3-168.7-170.976.6000113.5N496 Q499 P500 P502 A506N496-W663 HydrophobicContact CB-CZ3 4.49Å; Q499-W663 HydrophobicContact CB-CH2 3.59Å; Q499-W663 HydrophobicContact CB-CZ2 3.16Å; Q499-W663 HydrophobicContact CB-CZ3 4.4Å; Q499-W663 HydrophobicContact CG-CZ2 4.4Å; P500-W663 WeakPolarHBondContact O-CZ2 3.42Å; P500-W663 PolarHBondContact O-NE1 3.3Å; P502-W663 HydrophobicContact CB-CB 4.26Å; P502-W663 HydrophobicContact CB-CD2 3.91Å; P502-W663 HydrophobicContact CB-CE3 4.26Å; P502-W663 HydrophobicContact CB-CG 3.97Å; A506-W663 HydrophobicContact CB-CB 3.71Å
664R45.2Very low55.8Low71 Ų7144.1 Ų44.127%0.26826%0.259SS..G310 helixtrans-72.7-34.6175.6-71.7-172.9-172.4-77.316.4112.6N496 K659 G662 Q666 I667N496-R664 VanDerWaalsContact CG-NH1 3.26Å; N496-R664 PolarHBondContact ND2-NH1 3.44Å; N496-R664 PolarHBondContact OD1-NH1 2.96Å; K659-R664 WeakPolarHBondContact O-CB 3.39Å; G662-R664 PolarHBondContact O-N 3.27Å; G662-R664 VanDerWaalsContact O-N 3.16Å; R664-Q666 PolarHBondContact O-N 3.32Å; R664-I667 WeakPolarHBondContact O-CB 3.45Å; R664-I667 WeakPolarHBondContact O-CG1 3.44Å; R664-I667 PolarHBondContact O-N 3.08Å
665G49.1Very low56Low10 Ų1044.9 Ų44.910%0.10326%0.261CS..THydrogen-bonded Turntrans-62.4-22.5177.100000114.2G662 I667 W668 G670G662-G665 PolarHBondContact O-N 3.48Å; G665-I667 PolarHBondContact O-N 3.49Å; G665-W668 PolarHBondContact O-N 3.21Å; G665-G670 PolarHBondContact O-N 2.95Å
666Q52.6Low56.5Low125 Ų12543.8 Ų43.858%0.58425%0.253SS*.THydrogen-bonded Turntrans-67.1-22.7171.7-64.2-170.7-93.300113.1R664 G669R664-Q666 PolarHBondContact O-N 3.32Å; Q666-G669 PolarHBondContact O-N 3.23Å
667I53.8Low57.4Low13 Ų1344.6 Ų44.67%0.06726%0.258CS..THydrogen-bonded Turntrans-65.7-42.5178.4-61.8169.8000110.3A495 N496 R664 G665 G669 P720A495-I667 HydrophobicContact CB-CD1 4.36Å; A495-I667 HydrophobicContact CB-CG1 4.45Å; A495-I667 HydrophobicContact CB-CG2 3.56Å; N496-I667 WeakPolarHBondContact OD1-CD1 3.37Å; R664-I667 WeakPolarHBondContact O-CB 3.45Å; R664-I667 WeakPolarHBondContact O-CG1 3.44Å; R664-I667 PolarHBondContact O-N 3.08Å; G665-I667 PolarHBondContact O-N 3.49Å; I667-G669 PolarHBondContact O-N 3.01Å; I667-P720 HydrophobicContact CG2-CG 3.99Å; I667-P720 WeakPolarHBondContact O-CG 3.11Å
668W55.2Low58.5Low17 Ų1744 Ų446%0.06425%0.254CS..THydrogen-bonded Turntrans-84.714.2-177.4-59.1-35.7000114K659 G665 G670 T671 D676K659-W668 HydrophobicContact CB-CH2 3.87Å; K659-W668 HydrophobicContact CB-CZ3 4.41Å; K659-W668 HydrophobicContact CD-CH2 3.92Å; K659-W668 HydrophobicContact CD-CZ2 4.33Å; G665-W668 PolarHBondContact O-N 3.21Å; W668-G670 VanDerWaalsContact C-N 3.33Å; W668-G670 PolarHBondContact O-N 3.23Å; W668-T671 HydrophobicContact CB-CG2 4.37Å; W668-T671 VanDerWaalsContact CB-OG1 3.23Å; W668-T671 WeakPolarHBondContact CB-OG1 3.23Å; W668-D676 WeakPolarHBondContact CH2-OD2 3.4Å; W668-D676 WeakPolarHBondContact CZ3-OD2 3.36Å
669G58.4Low59.9Low61 Ų6142.7 Ų42.763%0.62924%0.242SC*.THydrogen-bonded Turntrans75.418.8177.400000114.4Q666 I667Q666-G669 PolarHBondContact O-N 3.23Å; I667-G669 PolarHBondContact O-N 3.01Å
670G55.8Low61.4Low57 Ų5745.7 Ų45.759%0.58826%0.258SS*.SBendtrans87.124.2179.300000115G665 W668G665-G670 PolarHBondContact O-N 2.95Å; W668-G670 VanDerWaalsContact C-N 3.33Å; W668-G670 PolarHBondContact O-N 3.23Å
671T58.8Low63.3Low40 Ų4045.3 Ų45.325%0.24525%0.252CS..  trans-52.6139.4165.147.90000110.4W668 L718W668-T671 HydrophobicContact CB-CG2 4.37Å; W668-T671 VanDerWaalsContact CB-OG1 3.23Å; W668-T671 WeakPolarHBondContact CB-OG1 3.23Å; T671-L718 HydrophobicContact CG2-CD2 4.05Å
672R63.9Low65.2Low166 Ų16646.2 Ų46.263%0.62626%0.259SS*.  trans-75.9155.1175.6-51.6-179.3-172.791.5-4.7109.3L674 D675 D676R672-L674 PolarHBondContact O-N 3.35Å; R672-D675 HydrophobicContact CB-CB 4.41Å; R672-D675 VanDerWaalsContact CB-OD2 3.23Å; R672-D675 WeakPolarHBondContact CB-OD2 3.48Å; R672-D675 WeakPolarHBondContact CD-OD2 3.06Å; R672-D675 VanDerWaalsContact CG-OD2 3.23Å; R672-D675 WeakPolarHBondContact CG-OD2 3.44Å; R672-D675 IonicContact CZ-OD2 3.95Å; R672-D675 IonicContact NH1-OD2 3.38Å; R672-D675 PolarHBondContact NH1-OD2 2.86Å; R672-D675 WeakPolarHBondContact O-CA 3.25Å; R672-D675 PolarHBondContact O-N 3.41Å; R672-D676 PolarHBondContact O-N 3.34Å
673L61.5Low67Low54 Ų5453.4 Ų53.428%0.28328%0.28SS..THydrogen-bonded Turntrans-52.6-29.2173-74.9157.5000114.1A657 V679A657-L673 VanDerWaalsContact O-CD2 3.25Å; A657-L673 WeakPolarHBondContact O-CD2 3.47Å; L673-V679 WeakPolarHBondContact O-CB 3.39Å; L673-V679 WeakPolarHBondContact O-CG1 3.45Å
674L68.4Low69.2Low96 Ų9656.8 Ų56.850%0.50330%0.301SS..THydrogen-bonded Turntrans-86.6-12178.6-61.9178.8000113.8F522 R672 M680F522-L674 HydrophobicContact CZ-CD2 4.36Å; R672-L674 PolarHBondContact O-N 3.35Å; L674-M680 VanDerWaalsContact O-CG 3.26Å; L674-M680 WeakPolarHBondContact O-CG 3.32Å
675D75.8Confident71.4Confident69 Ų6956.4 Ų56.437%0.36930%0.304SS..SBendtrans-98.32.9178.9-51.8-27.3000110.7R672R672-D675 HydrophobicContact CB-CB 4.41Å; R672-D675 VanDerWaalsContact CB-OD2 3.23Å; R672-D675 WeakPolarHBondContact CB-OD2 3.48Å; R672-D675 WeakPolarHBondContact CD-OD2 3.06Å; R672-D675 VanDerWaalsContact CG-OD2 3.23Å; R672-D675 WeakPolarHBondContact CG-OD2 3.44Å; R672-D675 IonicContact CZ-OD2 3.95Å; R672-D675 IonicContact NH1-OD2 3.38Å; R672-D675 PolarHBondContact NH1-OD2 2.86Å; R672-D675 WeakPolarHBondContact O-CA 3.25Å; R672-D675 PolarHBondContact O-N 3.41Å
676D77Confident73.3Confident2 Ų258.9 Ų58.91%0.01132%0.32CS..  trans-75.4128.3174.6174.8-72.9000110.7W668 R672 S678 V679 M680W668-D676 WeakPolarHBondContact CH2-OD2 3.4Å; W668-D676 WeakPolarHBondContact CZ3-OD2 3.36Å; R672-D676 PolarHBondContact O-N 3.34Å; D676-S678 VanDerWaalsContact C-N 3.34Å; D676-S678 PolarHBondContact O-N 3.44Å; D676-S678 WeakPolarHBondContact OD1-CA 3.31Å; D676-S678 WeakPolarHBondContact OD1-CB 3.41Å; D676-S678 PolarHBondContact OD1-N 2.98Å; D676-V679 HydrophobicContact CB-CB 4.02Å; D676-V679 HydrophobicContact CB-CG2 3.9Å; D676-V679 PolarHBondContact O-N 2.93Å; D676-V679 PolarHBondContact OD1-N 2.92Å; D676-M680 WeakPolarHBondContact O-CB 3.49Å; D676-M680 WeakPolarHBondContact O-CG 3.31Å; D676-M680 PolarHBondContact O-N 3.33Å
677P86.9Confident75.2Confident16 Ų1656.8 Ų56.810%0.10432%0.324CS..Hα-helixtrans-58.6-39.6-175.9-27.535.6000114.2M680 L681 T711 D714 L718P677-M680 PolarHBondContact O-N 3.4Å; P677-L681 WeakPolarHBondContact O-CB 3.48Å; P677-L681 PolarHBondContact O-N 3.21Å; P677-T711 HydrophobicContact CB-CG2 3.92Å; P677-T711 WeakPolarHBondContact O-CG2 3.16Å; P677-D714 HydrophobicContact CB-CB 3.99Å; P677-D714 HydrophobicContact CG-CB 3.79Å; P677-L718 VanDerWaalsContact CD-CD1 3.48Å; P677-L718 HydrophobicContact CG-CD1 3.75Å
678S84.5Confident77.1Confident0 Ų056.6 Ų56.60%032%0.323CS..Hα-helixtrans-71.6-37.1179.7-83.80000111.5A656 D676 L681 A682 E715A656-S678 VanDerWaalsContact CB-CB 3.4Å; D676-S678 VanDerWaalsContact C-N 3.34Å; D676-S678 PolarHBondContact O-N 3.44Å; D676-S678 WeakPolarHBondContact OD1-CA 3.31Å; D676-S678 WeakPolarHBondContact OD1-CB 3.41Å; D676-S678 PolarHBondContact OD1-N 2.98Å; S678-L681 PolarHBondContact O-N 3.27Å; S678-A682 PolarHBondContact O-N 2.99Å; S678-E715 PolarHBondContact OG-OE2 3.19Å
679V79.5Confident78.7Confident5 Ų556.3 Ų56.33%0.0332%0.323CS..Hα-helixtrans-68.5-41172.1-179.40000111.5F522 A656 A657 L673 D676 L681 A682 R683F522-V679 HydrophobicContact CE1-CG1 3.65Å; F522-V679 HydrophobicContact CE2-CG1 4.32Å; F522-V679 HydrophobicContact CZ-CG1 3.45Å; F522-V679 VanDerWaalsContact CZ-CG1 3.45Å; A656-V679 HydrophobicContact CB-CG2 4.06Å; A657-V679 HydrophobicContact CB-CG2 3.98Å; L673-V679 WeakPolarHBondContact O-CB 3.39Å; L673-V679 WeakPolarHBondContact O-CG1 3.45Å; D676-V679 HydrophobicContact CB-CB 4.02Å; D676-V679 HydrophobicContact CB-CG2 3.9Å; D676-V679 PolarHBondContact O-N 2.93Å; D676-V679 PolarHBondContact OD1-N 2.92Å; V679-L681 VanDerWaalsContact C-N 3.35Å; V679-A682 PolarHBondContact O-N 2.69Å; V679-R683 WeakPolarHBondContact O-CB 3.49Å; V679-R683 PolarHBondContact O-N 3.19Å
680M84.6Confident80.1Confident86 Ų8658.3 Ų58.342%0.42432%0.316SS..Hα-helixtrans-61.2-42.5173.5-74.3-178.765.300111.5L674 D676 P677 R683 N684L674-M680 VanDerWaalsContact O-CG 3.26Å; L674-M680 WeakPolarHBondContact O-CG 3.32Å; D676-M680 WeakPolarHBondContact O-CB 3.49Å; D676-M680 WeakPolarHBondContact O-CG 3.31Å; D676-M680 PolarHBondContact O-N 3.33Å; P677-M680 PolarHBondContact O-N 3.4Å; M680-R683 PolarHBondContact O-N 3.43Å; M680-N684 VanDerWaalsContact O-CB 3.27Å; M680-N684 WeakPolarHBondContact O-CB 3.01Å; M680-N684 PolarHBondContact O-N 3.25Å; M680-N684 PolarHBondContact O-ND2 2.84Å
681L89.8Confident81.9Confident8 Ų858.5 Ų58.54%0.04230%0.301CS..Hα-helixtrans-59.8-50.1174.2173.867.3000111.4I653 P677 S678 V679 R683 N684 N685 V689 I707 L708 T711I653-L681 HydrophobicContact CD1-CD2 3.59Å; I653-L681 HydrophobicContact CG1-CD2 4.01Å; I653-L681 HydrophobicContact CG2-CD2 4.19Å; P677-L681 WeakPolarHBondContact O-CB 3.48Å; P677-L681 PolarHBondContact O-N 3.21Å; S678-L681 PolarHBondContact O-N 3.27Å; V679-L681 VanDerWaalsContact C-N 3.35Å; L681-R683 PolarHBondContact O-N 3.4Å; L681-N684 PolarHBondContact O-N 2.92Å; L681-N685 HydrophobicContact CD1-CB 3.97Å; L681-N685 CarbonylContact O-C 3.53Å; L681-N685 WeakPolarHBondContact O-CA 3.44Å; L681-N685 PolarHBondContact O-N 3.41Å; L681-V689 HydrophobicContact CG-CG2 4.38Å; L681-I707 HydrophobicContact CD1-CG2 3.29Å; L681-L708 HydrophobicContact CD2-CD2 3.68Å; L681-T711 HydrophobicContact CB-CG2 3.99Å; L681-T711 HydrophobicContact CD2-CG2 3.92Å
682A82.3Confident83.3Confident20 Ų2056.8 Ų56.817%0.16529%0.29CS..Hα-helixtrans-60-34179.300000112.7I653 S678 V679 S686 V689I653-A682 HydrophobicContact CG2-CB 4.16Å; S678-A682 PolarHBondContact O-N 2.99Å; V679-A682 PolarHBondContact O-N 2.69Å; A682-S686 VanDerWaalsContact O-CA 3.28Å; A682-S686 WeakPolarHBondContact O-CA 3.07Å; A682-S686 VanDerWaalsContact O-CB 3.32Å; A682-S686 WeakPolarHBondContact O-CB 3.29Å; A682-S686 PolarHBondContact O-N 2.97Å; A682-V689 HydrophobicContact CB-CG2 4.42Å
683R82.1Confident84.3Confident171 Ų17154 Ų5465%0.64528%0.282SS*.Hα-helixtrans-75.6-49.6175.5-178.8-179.3176.5-173.1-1.5113V679 M680 L681V679-R683 WeakPolarHBondContact O-CB 3.49Å; V679-R683 PolarHBondContact O-N 3.19Å; M680-R683 PolarHBondContact O-N 3.43Å; L681-R683 PolarHBondContact O-N 3.4Å
684N87.9Confident85.6Confident106 Ų10658.8 Ų58.857%0.56730%0.301SS*.Hα-helixtrans-80.4-32-170.5-65-18000112.3M680 L681M680-N684 VanDerWaalsContact O-CB 3.27Å; M680-N684 WeakPolarHBondContact O-CB 3.01Å; M680-N684 PolarHBondContact O-N 3.25Å; M680-N684 PolarHBondContact O-ND2 2.84Å; L681-N684 PolarHBondContact O-N 2.92Å
685N92.3Very high86.7Confident62 Ų6256.2 Ų56.233%0.33229%0.289SS..THydrogen-bonded Turntrans-126.845.6-178.6-64.2-52.5000111.4L681 A687 L688 V689L681-N685 HydrophobicContact CD1-CB 3.97Å; L681-N685 CarbonylContact O-C 3.53Å; L681-N685 WeakPolarHBondContact O-CA 3.44Å; L681-N685 PolarHBondContact O-N 3.41Å; N685-A687 PolarHBondContact O-N 3.3Å; N685-A687 VanDerWaalsContact O-N 3.11Å; N685-L688 HydrophobicContact CB-CB 4.07Å; N685-L688 WeakPolarHBondContact O-CA 3.43Å; N685-L688 WeakPolarHBondContact O-CB 3.26Å; N685-L688 PolarHBondContact O-N 2.77Å; N685-V689 PolarHBondContact O-N 2.8Å
686S88.6Confident87.4Confident63 Ų6354.4 Ų54.444%0.44128%0.282SS..Hα-helixtrans-50.5-37.5178.7-177.40000113.2A682 L688 V689 E690A682-S686 VanDerWaalsContact O-CA 3.28Å; A682-S686 WeakPolarHBondContact O-CA 3.07Å; A682-S686 VanDerWaalsContact O-CB 3.32Å; A682-S686 WeakPolarHBondContact O-CB 3.29Å; A682-S686 PolarHBondContact O-N 2.97Å; S686-L688 VanDerWaalsContact C-N 3.32Å; S686-L688 PolarHBondContact O-N 3.38Å; S686-V689 PolarHBondContact O-N 2.69Å; S686-E690 PolarHBondContact O-N 2.7Å
687A91.4Very high88.1Confident81 Ų8154.3 Ų54.367%0.66928%0.281SS*.Hα-helixtrans-61.1-35.4175.300000113.6N685 K691N685-A687 PolarHBondContact O-N 3.3Å; N685-A687 VanDerWaalsContact O-N 3.11Å; A687-K691 VanDerWaalsContact O-CB 3.28Å; A687-K691 WeakPolarHBondContact O-CB 3.48Å; A687-K691 PolarHBondContact O-N 3.42Å
688L94.3Very high88.4Confident8 Ų854.4 Ų54.44%0.04228%0.28CS..Hα-helixtrans-71-38.8174.9176.754.5000111.3N685 S686 K691 L692 L700 E704 I707 L708N685-L688 HydrophobicContact CB-CB 4.07Å; N685-L688 WeakPolarHBondContact O-CA 3.43Å; N685-L688 WeakPolarHBondContact O-CB 3.26Å; N685-L688 PolarHBondContact O-N 2.77Å; S686-L688 VanDerWaalsContact C-N 3.32Å; S686-L688 PolarHBondContact O-N 3.38Å; L688-K691 WeakPolarHBondContact O-CB 3.32Å; L688-K691 PolarHBondContact O-N 2.9Å; L688-L692 PolarHBondContact O-N 2.75Å; L688-L700 HydrophobicContact CD1-CD1 4.08Å; L688-L700 HydrophobicContact CD1-CD2 4.08Å; L688-E704 HydrophobicContact CD1-CB 3.76Å; L688-E704 HydrophobicContact CD1-CG 3.81Å; L688-E704 HydrophobicContact CD2-CB 4.15Å; L688-E704 HydrophobicContact CD2-CG 4.29Å; L688-I707 HydrophobicContact CD2-CB 4.25Å; L688-I707 HydrophobicContact CD2-CG2 3.88Å; L688-L708 HydrophobicContact CD2-CD2 4.08Å; L688-L708 HydrophobicContact CD2-CG 4.26Å; L688-L708 HydrophobicContact CG-CD2 4.39Å
689V89Confident88.7Confident12 Ų1260.8 Ų60.87%0.07331%0.31CS..Hα-helixtrans-67.4-36.2175.6-178.60000111.5W650 I653 T654 L681 A682 N685 S686W650-V689 VanDerWaalsContact CD1-O 3.28Å; I653-V689 HydrophobicContact CG2-CG1 4.33Å; I653-V689 HydrophobicContact CG2-CG2 3.95Å; T654-V689 HydrophobicContact CG2-CG1 3.91Å; L681-V689 HydrophobicContact CG-CG2 4.38Å; A682-V689 HydrophobicContact CB-CG2 4.42Å; N685-V689 PolarHBondContact O-N 2.8Å; S686-V689 PolarHBondContact O-N 2.69Å
690E88.8Confident89.4Confident102 Ų10260.8 Ų60.848%0.47731%0.309SS..Hα-helixtrans-68.1-35.3169-75.8-157.5-171.300113.4S686 K693 K694S686-E690 PolarHBondContact O-N 2.7Å; E690-K693 PolarHBondContact O-N 3.27Å; E690-K694 IonicContact OE2-NZ 3.86Å; E690-K694 PolarHBondContact OE2-NZ 2.97Å
691K92.7Very high89.8Confident62 Ų6259.8 Ų59.827%0.2731%0.308SS..Hα-helixtrans-65.4-41.6177.2-169.1-179.3-176.5-171.70111.1A687 L688 K693 K694 V695 L700 E704A687-K691 VanDerWaalsContact O-CB 3.28Å; A687-K691 WeakPolarHBondContact O-CB 3.48Å; A687-K691 PolarHBondContact O-N 3.42Å; L688-K691 WeakPolarHBondContact O-CB 3.32Å; L688-K691 PolarHBondContact O-N 2.9Å; K691-K693 PolarHBondContact O-N 2.86Å; K691-K693 VanDerWaalsContact O-N 3.14Å; K691-K694 CarbonylContact O-C 3.6Å; K691-K694 PolarHBondContact O-N 3.34Å; K691-V695 HydrophobicContact CG-CB 4.04Å; K691-V695 HydrophobicContact CG-CG2 3.85Å; K691-V695 WeakPolarHBondContact O-CB 3.25Å; K691-V695 PolarHBondContact O-N 3.38Å; K691-L700 HydrophobicContact CD-CD2 3.63Å; K691-L700 HydrophobicContact CG-CD2 3.98Å; K691-E704 VanDerWaalsContact CD-OE1 3.31Å; K691-E704 WeakPolarHBondContact CD-OE1 3.46Å; K691-E704 IonicContact NZ-OE1 3.84Å; K691-E704 PolarHBondContact NZ-OE1 3.13Å; K691-E704 IonicContact NZ-OE2 2.98Å; K691-E704 PolarHBondContact NZ-OE2 2.85Å
692L88.3Confident89.9Confident4 Ų461.1 Ų61.12%0.02132%0.317CS..Hα-helixtrans-55.3-28.8174.5-83.8173.2000114.2W650 I653 L688 K694 V697 L700 L708W650-L692 HydrophobicContact CB-CB 4.4Å; I653-L692 HydrophobicContact CD1-CD1 3.9Å; L688-L692 PolarHBondContact O-N 2.75Å; L692-K694 VanDerWaalsContact C-N 3.33Å; L692-V697 HydrophobicContact CD2-CG2 3.46Å; L692-V697 VanDerWaalsContact CD2-CG2 3.46Å; L692-L700 HydrophobicContact CD2-CD1 3.9Å; L692-L708 HydrophobicContact CD1-CD1 4.02Å; L692-L708 HydrophobicContact CD1-CD2 3.84Å; L692-L708 HydrophobicContact CD2-CD1 3.87Å; L692-L708 HydrophobicContact CG-CD1 4.28Å
693K84.1Confident90.5Very high107 Ų10764.7 Ų64.747%0.46533%0.33SS..THydrogen-bonded Turntrans-78.2-16.4176.3-173.2168.4-177.5169.50113.4W650 E690 K691W650-K693 HydrophobicContact CZ2-CD 3.98Å; E690-K693 PolarHBondContact O-N 3.27Å; K691-K693 PolarHBondContact O-N 2.86Å; K691-K693 VanDerWaalsContact O-N 3.14Å
694K89.7Confident91.2Very high155 Ų15558 Ų5867%0.67431%0.307SS*.THydrogen-bonded Turntrans-119.3-22-171.3-62.5169.4-173.21590113.7E690 K691 L692E690-K694 IonicContact OE2-NZ 3.86Å; E690-K694 PolarHBondContact OE2-NZ 2.97Å; K691-K694 CarbonylContact O-C 3.6Å; K691-K694 PolarHBondContact O-N 3.34Å; L692-K694 VanDerWaalsContact C-N 3.33Å
695V92Very high91.6Very high42 Ų4253.2 Ų53.226%0.25528%0.281SS..SBendtrans-131.4143.4-171-177.70000109K691 E699 L700K691-V695 HydrophobicContact CG-CB 4.04Å; K691-V695 HydrophobicContact CG-CG2 3.85Å; K691-V695 WeakPolarHBondContact O-CB 3.25Å; K691-V695 PolarHBondContact O-N 3.38Å; V695-E699 HydrophobicContact CG1-CB 3.72Å; V695-L700 HydrophobicContact CG1-CD2 4.5Å
696S89.9Confident91.7Very high31 Ų3150.4 Ų50.422%0.21727%0.266CS..  trans-67.4148.5177.1790000111.3S646 Y698 E699S646-S696 WeakPolarHBondContact OG-CA 3.07Å; S696-Y698 PolarHBondContact O-N 2.87Å; S696-E699 WeakPolarHBondContact CB-OE1 3.35Å; S696-E699 PolarHBondContact O-N 3.11Å; S696-E699 WeakPolarHBondContact OG-CG 3.46Å; S696-E699 PolarHBondContact OG-N 3.35Å; S696-E699 PolarHBondContact OG-OE1 2.99Å
697V91.6Very high92Very high0 Ų049 Ų490%025%0.253CS..G310 helixtrans-58.9-28.2176169.90000111.8F481 S646 L649 L692 L700 K705F481-V697 HydrophobicContact CD2-CG1 3.91Å; F481-V697 HydrophobicContact CE2-CG1 3.38Å; F481-V697 HydrophobicContact CZ-CG1 3.96Å; S646-V697 WeakPolarHBondContact OG-CG2 3.42Å; S646-V697 PolarHBondContact OG-N 3.1Å; L649-V697 HydrophobicContact CD1-CG1 4.25Å; L649-V697 HydrophobicContact CD1-CG2 3.6Å; L692-V697 HydrophobicContact CD2-CG2 3.46Å; L692-V697 VanDerWaalsContact CD2-CG2 3.46Å; V697-L700 WeakPolarHBondContact O-CB 3.45Å; V697-L700 PolarHBondContact O-N 3.46Å; V697-K705 VanDerWaalsContact O-CE 3.3Å; V697-K705 WeakPolarHBondContact O-CE 3.4Å
698Y92.5Very high92.3Very high17 Ų1745.2 Ų45.27%0.06722%0.221CC..G310 helixtrans-70.5-32.8-179.5-50.7-67.1000112.8S471 P473 L477 A478 R642 L645 S696 L700 K705S471-Y698 WeakPolarHBondContact CA-O 3.2Å; S471-Y698 WeakPolarHBondContact CB-O 3.41Å; S471-Y698 WeakPolarHBondContact O-CB 3.34Å; P473-Y698 HydrophobicContact CB-CD1 4.38Å; P473-Y698 HydrophobicContact CB-CD2 3.86Å; P473-Y698 HydrophobicContact CB-CE1 4.29Å; P473-Y698 HydrophobicContact CB-CE2 3.73Å; P473-Y698 HydrophobicContact CB-CG 4.19Å; L477-Y698 HydrophobicContact CD2-CD1 4.21Å; A478-Y698 HydrophobicContact CB-CE1 3.96Å; A478-Y698 WeakPolarHBondContact CB-OH 3.42Å; R642-Y698 WeakPolarHBondContact O-CE2 3.46Å; R642-Y698 PolarHBondContact O-OH 3.43Å; L645-Y698 HydrophobicContact CD2-CE1 4.34Å; L645-Y698 WeakPolarHBondContact CD2-OH 3.28Å; S696-Y698 PolarHBondContact O-N 2.87Å; Y698-L700 VanDerWaalsContact C-N 3.35Å; Y698-K705 VanDerWaalsContact O-CE 3.27Å; Y698-K705 WeakPolarHBondContact O-CE 3.32Å; Y698-K705 PolarHBondContact O-NZ 3.48Å
699E91.1Very high92.3Very high134 Ų13444.8 Ų44.863%0.62622%0.219SC*.G310 helixtrans-83.9-2.8176.8-72.1159.5-115.600114.1V695 S696V695-E699 HydrophobicContact CG1-CB 3.72Å; S696-E699 WeakPolarHBondContact CB-OE1 3.35Å; S696-E699 PolarHBondContact O-N 3.11Å; S696-E699 WeakPolarHBondContact OG-CG 3.46Å; S696-E699 PolarHBondContact OG-N 3.35Å; S696-E699 PolarHBondContact OG-OE1 2.99Å
700L93.9Very high92.6Very high5 Ų545.2 Ų45.23%0.02622%0.222CC..SBendtrans-69.2153.9174.8-63.8-179.9000111.7L688 K691 L692 V695 V697 Y698 E704 K705 L708L688-L700 HydrophobicContact CD1-CD1 4.08Å; L688-L700 HydrophobicContact CD1-CD2 4.08Å; K691-L700 HydrophobicContact CD-CD2 3.63Å; K691-L700 HydrophobicContact CG-CD2 3.98Å; L692-L700 HydrophobicContact CD2-CD1 3.9Å; V695-L700 HydrophobicContact CG1-CD2 4.5Å; V697-L700 WeakPolarHBondContact O-CB 3.45Å; V697-L700 PolarHBondContact O-N 3.46Å; Y698-L700 VanDerWaalsContact C-N 3.35Å; L700-E704 HydrophobicContact CB-CB 4.05Å; L700-K705 HydrophobicContact CB-CG 3.94Å; L700-K705 WeakPolarHBondContact O-CE 3.41Å; L700-K705 PolarHBondContact O-NZ 2.86Å; L700-L708 HydrophobicContact CD1-CD1 3.68Å
701T93.8Very high92.9Very high65 Ų6541 Ų4140%0.39920%0.203SC..  trans-67.5155.6173.860.20000111.1H703 E704 K705T701-H703 PolarHBondContact O-N 2.95Å; T701-E704 WeakPolarHBondContact CB-OE2 3.39Å; T701-E704 PolarHBondContact N-OE2 2.86Å; T701-E704 PolarHBondContact O-N 2.71Å; T701-E704 WeakPolarHBondContact OG1-CB 3.47Å; T701-E704 WeakPolarHBondContact OG1-CG 3.24Å; T701-E704 PolarHBondContact OG1-N 2.97Å; T701-E704 PolarHBondContact OG1-OE2 3.31Å; T701-K705 WeakPolarHBondContact O-CG 3.42Å; T701-K705 PolarHBondContact O-N 3.28Å
702P92.5Very high92.9Very high36 Ų3638.1 Ų38.123%0.23419%0.19CC..Hα-helixtrans-53.9-39.3177.5-27.835.2000113.4L413 L468 L469 K705 L706L413-P702 HydrophobicContact CD2-CB 4.16Å; L468-P702 HydrophobicContact CB-CB 4.29Å; L469-P702 HydrophobicContact CD2-CG 3.87Å; P702-K705 PolarHBondContact O-N 3.3Å; P702-L706 WeakPolarHBondContact O-CB 3.49Å; P702-L706 WeakPolarHBondContact O-CG 3.47Å; P702-L706 PolarHBondContact O-N 3.29Å
703H94.4Very high93.2Very high95 Ų9538 Ų3844%0.4419%0.19SC..Hα-helixtrans-59.2-50.4173.4-178.866.9000112.4D417 T701 K705 L706 I707D417-H703 IonicContact OD1-CE1 2.7Å; D417-H703 IonicContact OD1-CG 3.96Å; D417-H703 IonicContact OD1-ND1 2.7Å; D417-H703 PolarHBondContact OD1-ND1 3.5Å; T701-H703 PolarHBondContact O-N 2.95Å; H703-K705 PolarHBondContact O-N 3.38Å; H703-L706 PolarHBondContact O-N 2.94Å; H703-I707 WeakPolarHBondContact NE2-CD1 3.14Å; H703-I707 WeakPolarHBondContact O-CG1 3.45Å; H703-I707 PolarHBondContact O-N 2.74Å
704E95.8Very high93.6Very high32 Ų3235.6 Ų35.615%0.1518%0.182CC..Hα-helixtrans-63.2-41.9177.4-71.7166.8140.200111.7L688 K691 L700 T701 I707 L708L688-E704 HydrophobicContact CD1-CB 3.76Å; L688-E704 HydrophobicContact CD1-CG 3.81Å; L688-E704 HydrophobicContact CD2-CB 4.15Å; L688-E704 HydrophobicContact CD2-CG 4.29Å; K691-E704 VanDerWaalsContact CD-OE1 3.31Å; K691-E704 WeakPolarHBondContact CD-OE1 3.46Å; K691-E704 IonicContact NZ-OE1 3.84Å; K691-E704 PolarHBondContact NZ-OE1 3.13Å; K691-E704 IonicContact NZ-OE2 2.98Å; K691-E704 PolarHBondContact NZ-OE2 2.85Å; L700-E704 HydrophobicContact CB-CB 4.05Å; T701-E704 WeakPolarHBondContact CB-OE2 3.39Å; T701-E704 PolarHBondContact N-OE2 2.86Å; T701-E704 PolarHBondContact O-N 2.71Å; T701-E704 WeakPolarHBondContact OG1-CB 3.47Å; T701-E704 WeakPolarHBondContact OG1-CG 3.24Å; T701-E704 PolarHBondContact OG1-N 2.97Å; T701-E704 PolarHBondContact OG1-OE2 3.31Å; E704-I707 PolarHBondContact O-N 3.2Å; E704-L708 WeakPolarHBondContact O-CG 3.12Å; E704-L708 PolarHBondContact O-N 2.78Å
705K96.2Very high93.5Very high4 Ų428.2 Ų28.22%0.01715%0.15CC..Hα-helixtrans-59.5-46.6173.5-70.1170175.5170.60111.2L468 E470 L477 V697 Y698 L700 T701 P702 H703 L708 L709L468-K705 HydrophobicContact CD2-CB 3.92Å; L468-K705 VanDerWaalsContact O-CD 3.25Å; L468-K705 WeakPolarHBondContact O-CD 3.41Å; L468-K705 PolarHBondContact O-NZ 2.89Å; E470-K705 PolarHBondContact O-NZ 3.35Å; L477-K705 HydrophobicContact CD1-CD 4.43Å; L477-K705 HydrophobicContact CD2-CD 3.62Å; L477-K705 VanDerWaalsContact CD2-CE 3.42Å; L477-K705 HydrophobicContact CD2-CG 4.23Å; V697-K705 VanDerWaalsContact O-CE 3.3Å; V697-K705 WeakPolarHBondContact O-CE 3.4Å; Y698-K705 VanDerWaalsContact O-CE 3.27Å; Y698-K705 WeakPolarHBondContact O-CE 3.32Å; Y698-K705 PolarHBondContact O-NZ 3.48Å; L700-K705 HydrophobicContact CB-CG 3.94Å; L700-K705 WeakPolarHBondContact O-CE 3.41Å; L700-K705 PolarHBondContact O-NZ 2.86Å; T701-K705 WeakPolarHBondContact O-CG 3.42Å; T701-K705 PolarHBondContact O-N 3.28Å; P702-K705 PolarHBondContact O-N 3.3Å; H703-K705 PolarHBondContact O-N 3.38Å; K705-L708 PolarHBondContact O-N 3.02Å; K705-L709 WeakPolarHBondContact O-CG 3.42Å; K705-L709 PolarHBondContact O-N 2.77Å
706L94.4Very high93.4Very high3 Ų326.2 Ų26.22%0.01614%0.138CC..Hα-helixtrans-62.8-40.9177.5-83.2170.3000112.7L413 D417 A421 L424 L468 P702 H703 L708 L709 T710L413-L706 HydrophobicContact CD1-CD1 4.41Å; D417-L706 HydrophobicContact CB-CD1 3.71Å; A421-L706 HydrophobicContact CB-CD1 4.21Å; A421-L706 HydrophobicContact CB-CD2 4Å; L424-L706 HydrophobicContact CD2-CD2 4.36Å; L468-L706 HydrophobicContact CD1-CD1 4.07Å; L468-L706 HydrophobicContact CD1-CD2 3.67Å; L468-L706 HydrophobicContact CD1-CG 3.79Å; L468-L706 HydrophobicContact CD2-CD2 4.12Å; L468-L706 HydrophobicContact CD2-CG 3.97Å; P702-L706 WeakPolarHBondContact O-CB 3.49Å; P702-L706 WeakPolarHBondContact O-CG 3.47Å; P702-L706 PolarHBondContact O-N 3.29Å; H703-L706 PolarHBondContact O-N 2.94Å; L706-L708 VanDerWaalsContact C-N 3.3Å; L706-L708 PolarHBondContact O-N 3.3Å; L706-L709 PolarHBondContact O-N 3.44Å; L706-T710 VanDerWaalsContact O-CB 3.26Å; L706-T710 WeakPolarHBondContact O-CB 3.37Å; L706-T710 PolarHBondContact O-N 3.04Å; L706-T710 PolarHBondContact O-OG1 3.34Å
707I95.9Very high93.3Very high33 Ų3326.8 Ų26.817%0.16914%0.138CC..Hα-helixtrans-56.7-45.9174.9-75.7168000110.7L681 L688 H703 E704 T711L681-I707 HydrophobicContact CD1-CG2 3.29Å; L688-I707 HydrophobicContact CD2-CB 4.25Å; L688-I707 HydrophobicContact CD2-CG2 3.88Å; H703-I707 WeakPolarHBondContact NE2-CD1 3.14Å; H703-I707 WeakPolarHBondContact O-CG1 3.45Å; H703-I707 PolarHBondContact O-N 2.74Å; E704-I707 PolarHBondContact O-N 3.2Å; I707-T711 WeakPolarHBondContact O-CB 3.36Å; I707-T711 PolarHBondContact O-N 2.93Å; I707-T711 PolarHBondContact O-OG1 2.91Å
708L96.8Very high93Very high2 Ų228.6 Ų28.61%0.0115%0.148CC..Hα-helixtrans-66.1-45.4179-60.5176.3000112F481 I653 L681 L688 L692 L700 E704 K705 L706 T710 T711 L712F481-L708 HydrophobicContact CE1-CB 3.71Å; F481-L708 HydrophobicContact CZ-CB 3.91Å; F481-L708 HydrophobicContact CZ-CD1 4.42Å; I653-L708 HydrophobicContact CD1-CD2 3.96Å; L681-L708 HydrophobicContact CD2-CD2 3.68Å; L688-L708 HydrophobicContact CD2-CD2 4.08Å; L688-L708 HydrophobicContact CD2-CG 4.26Å; L688-L708 HydrophobicContact CG-CD2 4.39Å; L692-L708 HydrophobicContact CD1-CD1 4.02Å; L692-L708 HydrophobicContact CD1-CD2 3.84Å; L692-L708 HydrophobicContact CD2-CD1 3.87Å; L692-L708 HydrophobicContact CG-CD1 4.28Å; L700-L708 HydrophobicContact CD1-CD1 3.68Å; E704-L708 WeakPolarHBondContact O-CG 3.12Å; E704-L708 PolarHBondContact O-N 2.78Å; K705-L708 PolarHBondContact O-N 3.02Å; L706-L708 VanDerWaalsContact C-N 3.3Å; L706-L708 PolarHBondContact O-N 3.3Å; L708-T710 PolarHBondContact O-N 2.82Å; L708-T711 PolarHBondContact O-N 3.38Å; L708-L712 WeakPolarHBondContact O-CG 3.24Å; L708-L712 PolarHBondContact O-N 3.48Å; L708-L712 VanDerWaalsContact O-N 3.12Å
709L95.4Very high92.6Very high0 Ų027.8 Ų27.80%015%0.145CC..Hα-helixtrans-64.1-39.5178.2-66.4164.7000112.1L424 L468 L477 F480 F481 M484 K705 L706 L712 M713L424-L709 HydrophobicContact CD1-CB 4.5Å; L424-L709 HydrophobicContact CD2-CB 3.72Å; L424-L709 HydrophobicContact CD2-CD1 3.95Å; L424-L709 HydrophobicContact CD2-CG 4.37Å; L468-L709 HydrophobicContact CD2-CD1 3.65Å; L477-L709 HydrophobicContact CD1-CD1 4.25Å; F480-L709 HydrophobicContact CB-CD2 4.02Å; F481-L709 HydrophobicContact CD1-CD2 3.65Å; F481-L709 HydrophobicContact CD1-CG 4.41Å; F481-L709 HydrophobicContact CD2-CD2 4.18Å; F481-L709 HydrophobicContact CE1-CD2 3.45Å; F481-L709 VanDerWaalsContact CE1-CD2 3.45Å; F481-L709 HydrophobicContact CE1-CG 3.71Å; F481-L709 HydrophobicContact CE2-CD2 4Å; F481-L709 HydrophobicContact CE2-CG 4.27Å; F481-L709 HydrophobicContact CG-CD2 4.01Å; F481-L709 HydrophobicContact CZ-CD1 4.39Å; F481-L709 HydrophobicContact CZ-CD2 3.65Å; F481-L709 HydrophobicContact CZ-CG 3.63Å; M484-L709 HydrophobicContact CE-CB 4.04Å; M484-L709 HydrophobicContact CE-CD2 3.32Å; M484-L709 HydrophobicContact CE-CG 4.28Å; K705-L709 WeakPolarHBondContact O-CG 3.42Å; K705-L709 PolarHBondContact O-N 2.77Å; L706-L709 PolarHBondContact O-N 3.44Å; L709-L712 PolarHBondContact O-N 2.82Å; L709-M713 WeakPolarHBondContact O-CB 3.48Å; L709-M713 PolarHBondContact O-N 2.95Å
710T94.8Very high92.1Very high20 Ų2022.4 Ų22.412%0.12312%0.121CC..Hα-helixtrans-65.2-41.8175.9-540000110.6L706 L708 L712 M713 D714L706-T710 VanDerWaalsContact O-CB 3.26Å; L706-T710 WeakPolarHBondContact O-CB 3.37Å; L706-T710 PolarHBondContact O-N 3.04Å; L706-T710 PolarHBondContact O-OG1 3.34Å; L708-T710 PolarHBondContact O-N 2.82Å; T710-L712 VanDerWaalsContact C-N 3.34Å; T710-L712 PolarHBondContact O-N 3.08Å; T710-M713 HydrophobicContact CG2-CE 3.77Å; T710-M713 WeakPolarHBondContact O-CB 3.35Å; T710-M713 PolarHBondContact O-N 3.17Å; T710-D714 PolarHBondContact O-N 3.44Å
711T94.6Very high91.7Very high13 Ų1324.1 Ų24.18%0.0813%0.129CC..Hα-helixtrans-59.6-43.2176.3-54.70000111.6P677 L681 I707 L708 D714 E715P677-T711 HydrophobicContact CB-CG2 3.92Å; P677-T711 WeakPolarHBondContact O-CG2 3.16Å; L681-T711 HydrophobicContact CB-CG2 3.99Å; L681-T711 HydrophobicContact CD2-CG2 3.92Å; I707-T711 WeakPolarHBondContact O-CB 3.36Å; I707-T711 PolarHBondContact O-N 2.93Å; I707-T711 PolarHBondContact O-OG1 2.91Å; L708-T711 PolarHBondContact O-N 3.38Å; T711-D714 PolarHBondContact O-N 3.27Å; T711-E715 WeakPolarHBondContact O-CB 3.44Å; T711-E715 PolarHBondContact O-N 3.1Å
712L94Very high91.4Very high2 Ų221 Ų211%0.0111%0.11CC..Hα-helixtrans-69.7-34.6176.2-63.6-177.5000113F481 M484 L485 I488 L649 L708 L709 T710 E715 L716F481-L712 HydrophobicContact CD1-CD1 3.81Å; F481-L712 HydrophobicContact CE1-CD1 4.35Å; M484-L712 HydrophobicContact CB-CB 4.32Å; M484-L712 HydrophobicContact CB-CD1 4.17Å; M484-L712 HydrophobicContact CE-CB 4.26Å; M484-L712 HydrophobicContact CE-CD1 4.44Å; M484-L712 HydrophobicContact SD-CB 4.33Å; L485-L712 HydrophobicContact CD2-CD1 4.09Å; L485-L712 HydrophobicContact CD2-CD2 3.76Å; L485-L712 HydrophobicContact CG-CD1 4.02Å; I488-L712 HydrophobicContact CD1-CB 4.16Å; I488-L712 HydrophobicContact CD1-CD2 3.79Å; I488-L712 HydrophobicContact CD1-CG 4.5Å; L649-L712 HydrophobicContact CD2-CD1 3.95Å; L708-L712 WeakPolarHBondContact O-CG 3.24Å; L708-L712 PolarHBondContact O-N 3.48Å; L708-L712 VanDerWaalsContact O-N 3.12Å; L709-L712 PolarHBondContact O-N 2.82Å; T710-L712 VanDerWaalsContact C-N 3.34Å; T710-L712 PolarHBondContact O-N 3.08Å; L712-E715 PolarHBondContact O-N 3.07Å; L712-L716 WeakPolarHBondContact O-CB 3.42Å; L712-L716 WeakPolarHBondContact O-CG 3.25Å; L712-L716 PolarHBondContact O-N 2.71Å
713M93.1Very high91.1Very high1 Ų122.8 Ų22.81%0.00511%0.112CC..Hα-helixtrans-62.4-44.8172.5172.6-165.674.100111Q423 L424 F427 L709 T710 L716 L717Q423-M713 HydrophobicContact CG-CE 3.89Å; Q423-M713 HydrophobicContact CG-SD 4.06Å; Q423-M713 VanDerWaalsContact NE2-CE 3.34Å; L424-M713 HydrophobicContact CD1-CB 4.28Å; L424-M713 HydrophobicContact CD1-SD 4.41Å; F427-M713 HydrophobicContact CB-CG 4.07Å; F427-M713 HydrophobicContact CB-SD 3.79Å; F427-M713 HydrophobicContact CD1-CB 4.41Å; F427-M713 HydrophobicContact CD1-CG 3.77Å; F427-M713 HydrophobicContact CD1-SD 4.47Å; F427-M713 HydrophobicContact CD2-CG 3.75Å; F427-M713 HydrophobicContact CD2-SD 4.46Å; F427-M713 HydrophobicContact CE1-CB 4.49Å; F427-M713 HydrophobicContact CE1-CG 4.13Å; F427-M713 HydrophobicContact CE2-CG 4.12Å; F427-M713 HydrophobicContact CG-CG 3.58Å; F427-M713 HydrophobicContact CG-SD 4.01Å; F427-M713 HydrophobicContact CZ-CG 4.29Å; L709-M713 WeakPolarHBondContact O-CB 3.48Å; L709-M713 PolarHBondContact O-N 2.95Å; T710-M713 HydrophobicContact CG2-CE 3.77Å; T710-M713 WeakPolarHBondContact O-CB 3.35Å; T710-M713 PolarHBondContact O-N 3.17Å; M713-L716 WeakPolarHBondContact O-CB 3.28Å; M713-L716 PolarHBondContact O-N 2.73Å; M713-L717 HydrophobicContact CG-CD1 4.22Å; M713-L717 WeakPolarHBondContact O-CG 3.5Å; M713-L717 PolarHBondContact O-N 3.29Å
714D92.2Very high90.7Very high57 Ų5723.3 Ų23.331%0.30512%0.115SC..Hα-helixtrans-65.7-39.8177.4-67.7-26.1000111.4P677 T710 T711 L716 L717 L718P677-D714 HydrophobicContact CB-CB 3.99Å; P677-D714 HydrophobicContact CG-CB 3.79Å; T710-D714 PolarHBondContact O-N 3.44Å; T711-D714 PolarHBondContact O-N 3.27Å; D714-L716 VanDerWaalsContact C-N 3.27Å; D714-L716 PolarHBondContact O-N 2.95Å; D714-L717 PolarHBondContact O-N 3.18Å; D714-L718 WeakPolarHBondContact O-CG 3.49Å; D714-L718 PolarHBondContact O-N 3.17Å; D714-L718 VanDerWaalsContact O-N 3.09Å
715E88.6Confident90.2Very high0 Ų026 Ų260%012%0.123CC..Hα-helixtrans-66.8-27.2174.7-158.1177.4149.700112.6I488 H652 K659 S678 T711 L712 Q719I488-E715 HydrophobicContact CD1-CB 4.37Å; H652-E715 IonicContact CD2-OE2 3.74Å; H652-E715 IonicContact CE1-OE1 3.08Å; H652-E715 PolarHBondContact CE1-OE1 3.47Å; H652-E715 IonicContact CE1-OE2 3.67Å; H652-E715 IonicContact NE2-OE1 2.99Å; H652-E715 PolarHBondContact NE2-OE1 2.83Å; H652-E715 IonicContact NE2-OE2 2.77Å; H652-E715 PolarHBondContact NE2-OE2 3.3Å; K659-E715 IonicContact NZ-OE1 2.77Å; K659-E715 PolarHBondContact NZ-OE1 3.15Å; S678-E715 PolarHBondContact OG-OE2 3.19Å; T711-E715 WeakPolarHBondContact O-CB 3.44Å; T711-E715 PolarHBondContact O-N 3.1Å; L712-E715 PolarHBondContact O-N 3.07Å; E715-Q719 PolarHBondContact O-NE2 3.31Å
716L89.1Confident89.7Confident0 Ų028.4 Ų28.40%014%0.135CC..Hα-helixtrans-72.8-45.6167.4-77.9169.4000111.8F427 I435 L437 M484 T487 I488 L491 L712 M713 D714 L718 Q719 I722F427-L716 HydrophobicContact CE1-CD1 3.98Å; F427-L716 HydrophobicContact CE2-CB 4.47Å; F427-L716 HydrophobicContact CZ-CB 3.82Å; F427-L716 HydrophobicContact CZ-CD1 3.82Å; F427-L716 HydrophobicContact CZ-CG 4.46Å; I435-L716 HydrophobicContact CD1-CD1 4.32Å; I435-L716 HydrophobicContact CD1-CD2 4.41Å; L437-L716 HydrophobicContact CD1-CD1 4.49Å; M484-L716 HydrophobicContact CB-CD1 4.18Å; M484-L716 HydrophobicContact CG-CD1 3.99Å; M484-L716 HydrophobicContact SD-CD1 4.18Å; T487-L716 HydrophobicContact CG2-CD2 3.9Å; I488-L716 HydrophobicContact CB-CD2 4.47Å; I488-L716 HydrophobicContact CD1-CG 4.2Å; I488-L716 HydrophobicContact CG1-CD1 4.45Å; I488-L716 HydrophobicContact CG1-CD2 3.5Å; I488-L716 HydrophobicContact CG1-CG 3.63Å; L491-L716 HydrophobicContact CD1-CD2 3.92Å; L712-L716 WeakPolarHBondContact O-CB 3.42Å; L712-L716 WeakPolarHBondContact O-CG 3.25Å; L712-L716 PolarHBondContact O-N 2.71Å; M713-L716 WeakPolarHBondContact O-CB 3.28Å; M713-L716 PolarHBondContact O-N 2.73Å; D714-L716 VanDerWaalsContact C-N 3.27Å; D714-L716 PolarHBondContact O-N 2.95Å; L716-L718 PolarHBondContact O-N 3.43Å; L716-L718 VanDerWaalsContact O-N 3.16Å; L716-Q719 VanDerWaalsContact O-CB 3.3Å; L716-Q719 WeakPolarHBondContact O-CB 3.26Å; L716-Q719 VanDerWaalsContact O-CG 3.28Å; L716-Q719 WeakPolarHBondContact O-CG 3.41Å; L716-Q719 PolarHBondContact O-N 3.11Å; L716-I722 HydrophobicContact CB-CD1 4.06Å; L716-I722 HydrophobicContact CD2-CD1 4.37Å; L716-I722 WeakPolarHBondContact O-CD1 3.49Å
717L88.7Confident89.4Confident43 Ų4334.4 Ų34.423%0.22516%0.164CC..Hα-helixtrans-59.7-26.6178.5-72.5168.9000112.7F427 F431 M713 D714 Q719 I722 R723 M726F427-L717 HydrophobicContact CD2-CD2 3.99Å; F427-L717 HydrophobicContact CD2-CG 4.23Å; F427-L717 HydrophobicContact CE2-CD2 3.84Å; F427-L717 HydrophobicContact CE2-CG 3.97Å; F431-L717 HydrophobicContact CE2-CD2 4.28Å; M713-L717 HydrophobicContact CG-CD1 4.22Å; M713-L717 WeakPolarHBondContact O-CG 3.5Å; M713-L717 PolarHBondContact O-N 3.29Å; D714-L717 PolarHBondContact O-N 3.18Å; L717-Q719 VanDerWaalsContact C-N 3.34Å; L717-I722 HydrophobicContact CD2-CG2 4.12Å; L717-R723 VanDerWaalsContact O-CG 3.25Å; L717-R723 WeakPolarHBondContact O-CG 3.3Å; L717-M726 HydrophobicContact CD2-SD 4Å
718L84.7Confident89.1Confident39 Ų3938.7 Ų38.720%0.20419%0.187CC..THydrogen-bonded Turntrans-74.2-14.3173.1-70.3175.7000114.8T671 P677 D714 L716 R723T671-L718 HydrophobicContact CG2-CD2 4.05Å; P677-L718 VanDerWaalsContact CD-CD1 3.48Å; P677-L718 HydrophobicContact CG-CD1 3.75Å; D714-L718 WeakPolarHBondContact O-CG 3.49Å; D714-L718 PolarHBondContact O-N 3.17Å; D714-L718 VanDerWaalsContact O-N 3.09Å; L716-L718 PolarHBondContact O-N 3.43Å; L716-L718 VanDerWaalsContact O-N 3.16Å; L718-R723 PolarHBondContact O-NH1 2.77Å
719Q84.2Confident88.6Confident0 Ų040 Ų400%019%0.193CC..SBendtrans-69.8133.3-177.9-57.2-65.4-36.300111.4L491 E715 L716 L717 Q721 I722 R723L491-Q719 HydrophobicContact CB-CB 4.48Å; L491-Q719 HydrophobicContact CB-CG 4.21Å; L491-Q719 HydrophobicContact CD1-CB 4.19Å; L491-Q719 HydrophobicContact CD1-CG 4.07Å; E715-Q719 PolarHBondContact O-NE2 3.31Å; L716-Q719 VanDerWaalsContact O-CB 3.3Å; L716-Q719 WeakPolarHBondContact O-CB 3.26Å; L716-Q719 VanDerWaalsContact O-CG 3.28Å; L716-Q719 WeakPolarHBondContact O-CG 3.41Å; L716-Q719 PolarHBondContact O-N 3.11Å; L717-Q719 VanDerWaalsContact C-N 3.34Å; Q719-Q721 VanDerWaalsContact C-N 3.26Å; Q719-Q721 PolarHBondContact O-N 3.28Å; Q719-Q721 VanDerWaalsContact O-N 3.13Å; Q719-I722 HydrophobicContact CB-CD1 4.31Å; Q719-I722 PolarHBondContact O-N 3.39Å; Q719-R723 PolarHBondContact O-N 3.13Å; Q719-R723 VanDerWaalsContact O-N 3.13Å
720P81.6Confident88.1Confident21 Ų2144.3 Ų44.314%0.13621%0.21CC..Hα-helixtrans-49.8-42.3-178.5-31.537.3000114.7I667 I722 R723 E724I667-P720 HydrophobicContact CG2-CG 3.99Å; I667-P720 WeakPolarHBondContact O-CG 3.11Å; P720-I722 PolarHBondContact O-N 3.33Å; P720-R723 PolarHBondContact O-N 2.98Å; P720-E724 WeakPolarHBondContact O-CB 3.34Å; P720-E724 WeakPolarHBondContact O-CG 3.35Å; P720-E724 PolarHBondContact O-N 2.88Å
721Q84.2Confident87.8Confident40 Ų4046.9 Ų46.919%0.18722%0.22CC..Hα-helixtrans-63.3-22.5-177.8-56.190.5-33.100113.2L491 Q719L491-Q721 HydrophobicContact CD2-CB 4.09Å; L491-Q721 HydrophobicContact CD2-CG 4.01Å; L491-Q721 PolarHBondContact O-NE2 3.41Å; Q719-Q721 VanDerWaalsContact C-N 3.26Å; Q719-Q721 PolarHBondContact O-N 3.28Å; Q719-Q721 VanDerWaalsContact O-N 3.13Å
722I87.4Confident87.6Confident0 Ų051.8 Ų51.80%024%0.237CC..Hα-helixtrans-92.1-44.5176-70.3160.2000110.1F431 I435 L491 L716 L717 Q719 P720 R725 M726F431-I722 HydrophobicContact CD1-CG2 4.08Å; F431-I722 HydrophobicContact CE1-CG2 3.98Å; F431-I722 HydrophobicContact CZ-CG2 4.49Å; I435-I722 HydrophobicContact CD1-CD1 4.14Å; I435-I722 HydrophobicContact CG2-CD1 3.98Å; I435-I722 HydrophobicContact CG2-CG1 3.78Å; L491-I722 HydrophobicContact CD1-CD1 4.01Å; L716-I722 HydrophobicContact CB-CD1 4.06Å; L716-I722 HydrophobicContact CD2-CD1 4.37Å; L716-I722 WeakPolarHBondContact O-CD1 3.49Å; L717-I722 HydrophobicContact CD2-CG2 4.12Å; Q719-I722 HydrophobicContact CB-CD1 4.31Å; Q719-I722 PolarHBondContact O-N 3.39Å; P720-I722 PolarHBondContact O-N 3.33Å; I722-R725 WeakPolarHBondContact O-CB 3.31Å; I722-R725 PolarHBondContact O-N 2.85Å; I722-M726 HydrophobicContact CG2-CG 4.48Å; I722-M726 HydrophobicContact CG2-SD 3.99Å; I722-M726 WeakPolarHBondContact O-CG 3.43Å; I722-M726 PolarHBondContact O-N 3.25Å
723R87.2Confident87.1Confident73 Ų7351.9 Ų51.928%0.27524%0.238SC..Hα-helixtrans-59.8-49.2177.5-56.2-166.6-35-97.1-3.5112.6L717 L718 Q719 P720 R725 M726 E727L717-R723 VanDerWaalsContact O-CG 3.25Å; L717-R723 WeakPolarHBondContact O-CG 3.3Å; L718-R723 PolarHBondContact O-NH1 2.77Å; Q719-R723 PolarHBondContact O-N 3.13Å; Q719-R723 VanDerWaalsContact O-N 3.13Å; P720-R723 PolarHBondContact O-N 2.98Å; R723-R725 PolarHBondContact O-N 2.85Å; R723-M726 PolarHBondContact O-N 2.86Å; R723-M726 VanDerWaalsContact O-N 3.09Å; R723-E727 WeakPolarHBondContact O-CG 3.26Å; R723-E727 PolarHBondContact O-N 2.79Å
724E85.9Confident86.7Confident107 Ų10754.6 Ų54.650%0.525%0.249SC..Hα-helixtrans-56.1-40176.6-71.5172.1-168.400111.4P720 E727 D728P720-E724 WeakPolarHBondContact O-CB 3.34Å; P720-E724 WeakPolarHBondContact O-CG 3.35Å; P720-E724 PolarHBondContact O-N 2.88Å; E724-E727 PolarHBondContact O-N 2.84Å; E724-D728 PolarHBondContact O-N 2.87Å
725R86.3Confident86.7Confident87 Ų8756.3 Ų56.333%0.32826%0.257SS..Hα-helixtrans-66.8-41.7176.5172.3-178.9-61.4-85.9-6.3112.6I722 R723 E727 D728 Q729I722-R725 WeakPolarHBondContact O-CB 3.31Å; I722-R725 PolarHBondContact O-N 2.85Å; R723-R725 PolarHBondContact O-N 2.85Å; R725-E727 VanDerWaalsContact C-N 3.34Å; R725-D728 PolarHBondContact O-N 2.79Å; R725-Q729 WeakPolarHBondContact O-CB 3.3Å; R725-Q729 WeakPolarHBondContact O-CG 3.31Å; R725-Q729 PolarHBondContact O-N 2.87Å
726M85.5Confident86.7Confident55 Ų5557 Ų5727%0.27126%0.261SS..Hα-helixtrans-63.6-41.4177.2-70.717271.700111F431 L717 I722 R723 Q729 Y730 C880F431-M726 HydrophobicContact CE1-CG 3.78Å; F431-M726 HydrophobicContact CE1-SD 4.38Å; F431-M726 HydrophobicContact CZ-CG 3.62Å; F431-M726 HydrophobicContact CZ-SD 3.92Å; L717-M726 HydrophobicContact CD2-SD 4Å; I722-M726 HydrophobicContact CG2-CG 4.48Å; I722-M726 HydrophobicContact CG2-SD 3.99Å; I722-M726 WeakPolarHBondContact O-CG 3.43Å; I722-M726 PolarHBondContact O-N 3.25Å; R723-M726 PolarHBondContact O-N 2.86Å; R723-M726 VanDerWaalsContact O-N 3.09Å; M726-Q729 PolarHBondContact O-N 3.18Å; M726-Y730 WeakPolarHBondContact O-CB 3.33Å; M726-Y730 PolarHBondContact O-N 3.04Å; M726-C880 WeakPolarHBondContact CE-O 3.49Å
727E86.9Confident86.5Confident130 Ų13061.8 Ų61.861%0.60728%0.279SS*.Hα-helixtrans-62.3-47.7174.8-69.7172.8-156.200111.7R723 E724 R725 Q729 Y730 E731R723-E727 WeakPolarHBondContact O-CG 3.26Å; R723-E727 PolarHBondContact O-N 2.79Å; E724-E727 PolarHBondContact O-N 2.84Å; R725-E727 VanDerWaalsContact C-N 3.34Å; E727-Q729 VanDerWaalsContact C-N 3.34Å; E727-Q729 PolarHBondContact O-N 3.36Å; E727-Y730 WeakPolarHBondContact O-CB 3.49Å; E727-Y730 PolarHBondContact O-N 3.26Å; E727-E731 PolarHBondContact O-N 2.93Å
728D89.7Confident86.3Confident122 Ų12261.8 Ų61.865%0.65228%0.279SS*.Hα-helixtrans-57.2-44174.3-91.7-15.5000112.4E724 R725 R732E724-D728 PolarHBondContact O-N 2.87Å; R725-D728 PolarHBondContact O-N 2.79Å; D728-R732 WeakPolarHBondContact O-CB 3.35Å; D728-R732 PolarHBondContact O-N 2.91Å
729Q86.2Confident86.6Confident31 Ų3164.6 Ų64.615%0.14529%0.291CS..Hα-helixtrans-70-38.4179.1-71.8-178.4-72.500111.5R725 M726 E727 R732 V733 V876 G879R725-Q729 WeakPolarHBondContact O-CB 3.3Å; R725-Q729 WeakPolarHBondContact O-CG 3.31Å; R725-Q729 PolarHBondContact O-N 2.87Å; M726-Q729 PolarHBondContact O-N 3.18Å; E727-Q729 VanDerWaalsContact C-N 3.34Å; E727-Q729 PolarHBondContact O-N 3.36Å; Q729-R732 PolarHBondContact O-N 2.89Å; Q729-V733 WeakPolarHBondContact O-CG2 3.49Å; Q729-V733 PolarHBondContact O-N 2.94Å; Q729-V876 HydrophobicContact CB-CG1 4.16Å; Q729-V876 HydrophobicContact CG-CG1 4.41Å; Q729-V876 WeakPolarHBondContact O-CG1 3.36Å; Q729-G879 PolarHBondContact OE1-O 3.41Å
730Y84.7Confident86.7Confident89 Ų8965.5 Ų65.535%0.34930%0.296SS..Hα-helixtrans-59.5-47.9174.4-168.4-82000111.7M726 E727 R732 V733 R734 S1536M726-Y730 WeakPolarHBondContact O-CB 3.33Å; M726-Y730 PolarHBondContact O-N 3.04Å; E727-Y730 WeakPolarHBondContact O-CB 3.49Å; E727-Y730 PolarHBondContact O-N 3.26Å; Y730-R732 VanDerWaalsContact C-N 3.34Å; Y730-R732 PolarHBondContact O-N 3.09Å; Y730-V733 PolarHBondContact O-N 3.38Å; Y730-R734 PolarHBondContact O-N 3.32Å; Y730-S1536 WeakPolarHBondContact OH-CA 3.33Å; Y730-S1536 VanDerWaalsContact OH-CB 3.3Å; Y730-S1536 WeakPolarHBondContact OH-CB 3.4Å; Y730-S1536 PolarHBondContact OH-O 3.09Å
731E89.3Confident86.7Confident74 Ų7470.4 Ų70.435%0.34631%0.312SS..Hα-helixtrans-64-38.1176.5-80.9-63.4113.200112.2E727 R734 L735E727-E731 PolarHBondContact O-N 2.93Å; E731-R734 WeakPolarHBondContact O-CB 3.37Å; E731-R734 PolarHBondContact O-N 3.45Å; E731-R734 WeakPolarHBondContact OE1-CD 3.43Å; E731-R734 IonicContact OE1-CZ 3.77Å; E731-R734 IonicContact OE1-NE 3.32Å; E731-R734 PolarHBondContact OE1-NE 2.96Å; E731-R734 IonicContact OE2-CZ 3.01Å; E731-R734 IonicContact OE2-NE 3.5Å; E731-R734 PolarHBondContact OE2-NE 2.96Å; E731-R734 IonicContact OE2-NH2 2.69Å; E731-R734 PolarHBondContact OE2-NH2 3.31Å; E731-L735 WeakPolarHBondContact O-CG 3.23Å; E731-L735 PolarHBondContact O-N 3.02Å
732R90.4Very high86.8Confident116 Ų11672.4 Ų72.444%0.43833%0.327SS..Hα-helixtrans-65.7-40.9174.5-172.9178.9-175.491.40.2112.4D728 Q729 Y730 R734 L735 L736 V876D728-R732 WeakPolarHBondContact O-CB 3.35Å; D728-R732 PolarHBondContact O-N 2.91Å; Q729-R732 PolarHBondContact O-N 2.89Å; Y730-R732 VanDerWaalsContact C-N 3.34Å; Y730-R732 PolarHBondContact O-N 3.09Å; R732-R734 VanDerWaalsContact C-N 3.32Å; R732-R734 PolarHBondContact O-N 2.82Å; R732-L735 PolarHBondContact O-N 3.43Å; R732-L736 HydrophobicContact CG-CD1 4.16Å; R732-L736 WeakPolarHBondContact O-CG 3.35Å; R732-L736 PolarHBondContact O-N 3.48Å; R732-V876 HydrophobicContact CB-CG1 3.82Å; R732-V876 HydrophobicContact CG-CG1 3.85Å; R732-V876 HydrophobicContact CG-CG2 4.12Å
733V83.6Confident86.8Confident5 Ų573.7 Ų73.73%0.0333%0.334CS..Hα-helixtrans-60.5-42.9171.6170.80000110.9Q729 Y730 L735 L736 R737 V876Q729-V733 WeakPolarHBondContact O-CG2 3.49Å; Q729-V733 PolarHBondContact O-N 2.94Å; Y730-V733 PolarHBondContact O-N 3.38Å; V733-L735 PolarHBondContact O-N 2.83Å; V733-L736 PolarHBondContact O-N 2.97Å; V733-R737 HydrophobicContact CG1-CG 4.21Å; V733-R737 VanDerWaalsContact O-CB 3.3Å; V733-R737 WeakPolarHBondContact O-CB 3.32Å; V733-R737 VanDerWaalsContact O-CG 3.27Å; V733-R737 WeakPolarHBondContact O-CG 3.46Å; V733-R737 PolarHBondContact O-N 2.75Å; V733-V876 HydrophobicContact CG2-CB 4Å; V733-V876 HydrophobicContact CG2-CG1 3.67Å
734R85.3Confident86.7Confident58 Ų5873.1 Ų73.122%0.21934%0.335CS..Hα-helixtrans-59.8-44.8177.5-171.7-172.367.470.76.3111.6Y730 E731 R732 N738 L1535Y730-R734 PolarHBondContact O-N 3.32Å; E731-R734 WeakPolarHBondContact O-CB 3.37Å; E731-R734 PolarHBondContact O-N 3.45Å; E731-R734 WeakPolarHBondContact OE1-CD 3.43Å; E731-R734 IonicContact OE1-CZ 3.77Å; E731-R734 IonicContact OE1-NE 3.32Å; E731-R734 PolarHBondContact OE1-NE 2.96Å; E731-R734 IonicContact OE2-CZ 3.01Å; E731-R734 IonicContact OE2-NE 3.5Å; E731-R734 PolarHBondContact OE2-NE 2.96Å; E731-R734 IonicContact OE2-NH2 2.69Å; E731-R734 PolarHBondContact OE2-NH2 3.31Å; R732-R734 VanDerWaalsContact C-N 3.32Å; R732-R734 PolarHBondContact O-N 2.82Å; R734-N738 PolarHBondContact O-N 3.32Å; R734-N738 PolarHBondContact O-ND2 2.95Å; R734-N738 PolarHBondContact O-OD1 2.77Å; R734-L1535 HydrophobicContact CG-CB 4.32Å
735L91.9Very high86.4Confident92 Ų9270.3 Ų70.348%0.48233%0.33SS..Hα-helixtrans-64.8-49.6177.2-70.2171.1000112.5E731 R732 V733 R737 N738 Q739E731-L735 WeakPolarHBondContact O-CG 3.23Å; E731-L735 PolarHBondContact O-N 3.02Å; R732-L735 PolarHBondContact O-N 3.43Å; V733-L735 PolarHBondContact O-N 2.83Å; L735-R737 PolarHBondContact O-N 2.96Å; L735-N738 WeakPolarHBondContact O-CA 3.38Å; L735-N738 WeakPolarHBondContact O-CB 3.13Å; L735-N738 PolarHBondContact O-N 3Å; L735-Q739 PolarHBondContact O-N 3Å; L735-Q739 VanDerWaalsContact O-N 3.08Å
736L88.6Confident86.2Confident16 Ų1671.3 Ų71.38%0.08434%0.342CS..Hα-helixtrans-62.2-41178.9-69.7165.9000111.9R732 V733 N738 Q739 L740 L869 I873 V876R732-L736 HydrophobicContact CG-CD1 4.16Å; R732-L736 WeakPolarHBondContact O-CG 3.35Å; R732-L736 PolarHBondContact O-N 3.48Å; V733-L736 PolarHBondContact O-N 2.97Å; L736-N738 PolarHBondContact O-N 3.28Å; L736-Q739 PolarHBondContact O-N 3.47Å; L736-L740 PolarHBondContact O-N 3.3Å; L736-L869 HydrophobicContact CD2-CD2 4.03Å; L736-I873 HydrophobicContact CB-CD1 4.26Å; L736-I873 HydrophobicContact CB-CG1 3.52Å; L736-I873 HydrophobicContact CD1-CG1 4.43Å; L736-V876 HydrophobicContact CD1-CB 4.33Å; L736-V876 HydrophobicContact CD1-CG2 3.88Å
737R83.5Confident86.2Confident99 Ų9970.2 Ų70.237%0.37434%0.335SS..Hα-helixtrans-61.7-29.8173.4-76.3176.7177.51611.4112.3V733 L735 R741 I873V733-R737 HydrophobicContact CG1-CG 4.21Å; V733-R737 VanDerWaalsContact O-CB 3.3Å; V733-R737 WeakPolarHBondContact O-CB 3.32Å; V733-R737 VanDerWaalsContact O-CG 3.27Å; V733-R737 WeakPolarHBondContact O-CG 3.46Å; V733-R737 PolarHBondContact O-N 2.75Å; L735-R737 PolarHBondContact O-N 2.96Å; R737-R741 WeakPolarHBondContact O-CG 3.32Å; R737-R741 PolarHBondContact O-N 3.15Å; R737-R741 PolarHBondContact O-NH1 3.04Å; R737-I873 HydrophobicContact CG-CD1 3.94Å; R737-I873 HydrophobicContact CG-CG1 4.27Å; R737-I873 HydrophobicContact CG-CG2 4.3Å
738N84.4Confident85.6Confident44 Ų4466.3 Ų66.324%0.23532%0.32CS..Hα-helixtrans-71.8-44174.4-63.1-19.3000111.1R734 L735 L736 L740 R741 T742R734-N738 PolarHBondContact O-N 3.32Å; R734-N738 PolarHBondContact O-ND2 2.95Å; R734-N738 PolarHBondContact O-OD1 2.77Å; L735-N738 WeakPolarHBondContact O-CA 3.38Å; L735-N738 WeakPolarHBondContact O-CB 3.13Å; L735-N738 PolarHBondContact O-N 3Å; L736-N738 PolarHBondContact O-N 3.28Å; N738-L740 PolarHBondContact O-N 2.88Å; N738-R741 PolarHBondContact O-N 2.92Å; N738-R741 VanDerWaalsContact O-N 3.15Å; N738-R741 VanDerWaalsContact OD1-CZ 3.3Å; N738-R741 PolarHBondContact OD1-NH1 2.77Å; N738-R741 PolarHBondContact OD1-NH2 2.67Å; N738-T742 PolarHBondContact O-N 3.18Å; N738-T742 VanDerWaalsContact O-N 3.1Å
739Q91.7Very high85.2Confident97 Ų9764.9 Ų64.945%0.45332%0.315SS..Hα-helixtrans-61.5-40.8175.7-69.7173.2-39.200112.3L735 L736 R741 T742 V743 L869L735-Q739 PolarHBondContact O-N 3Å; L735-Q739 VanDerWaalsContact O-N 3.08Å; L736-Q739 PolarHBondContact O-N 3.47Å; Q739-R741 VanDerWaalsContact C-N 3.29Å; Q739-R741 PolarHBondContact O-N 3.03Å; Q739-T742 WeakPolarHBondContact CA-OG1 3.43Å; Q739-T742 PolarHBondContact O-N 3.22Å; Q739-T742 PolarHBondContact O-OG1 2.79Å; Q739-V743 WeakPolarHBondContact O-CG2 3.33Å; Q739-V743 PolarHBondContact O-N 2.84Å; Q739-L869 HydrophobicContact CB-CD1 4.2Å; Q739-L869 HydrophobicContact CB-CD2 3.91Å
740L85.5Confident84.9Confident19 Ų1965.6 Ų65.610%0.09932%0.32CS..Hα-helixtrans-57.6-42.2173.6177.462.1000111.6L736 N738 Q744 E866 L869 L870 I873L736-L740 PolarHBondContact O-N 3.3Å; N738-L740 PolarHBondContact O-N 2.88Å; L740-Q744 HydrophobicContact CD1-CG 4.23Å; L740-Q744 WeakPolarHBondContact O-CB 3.48Å; L740-Q744 VanDerWaalsContact O-CG 3.24Å; L740-Q744 WeakPolarHBondContact O-CG 3.45Å; L740-Q744 PolarHBondContact O-N 3.22Å; L740-E866 HydrophobicContact CD1-CB 4.4Å; L740-E866 HydrophobicContact CD1-CG 3.8Å; L740-L869 HydrophobicContact CD1-CB 4.44Å; L740-L870 HydrophobicContact CD1-CG 4.16Å; L740-L870 HydrophobicContact CD2-CD2 3.69Å; L740-L870 HydrophobicContact CD2-CG 4.12Å; L740-I873 HydrophobicContact CB-CD1 4.04Å; L740-I873 HydrophobicContact CD2-CD1 3.7Å; L740-I873 HydrophobicContact CG-CD1 4.49Å
741R82Confident84.4Confident125 Ų12564.9 Ų64.947%0.47232%0.321SS..Hα-helixtrans-68.4-33.5177.8-68-166.6-49.7-7713.4112.8R737 N738 Q739 A745R737-R741 WeakPolarHBondContact O-CG 3.32Å; R737-R741 PolarHBondContact O-N 3.15Å; R737-R741 PolarHBondContact O-NH1 3.04Å; N738-R741 PolarHBondContact O-N 2.92Å; N738-R741 VanDerWaalsContact O-N 3.15Å; N738-R741 VanDerWaalsContact OD1-CZ 3.3Å; N738-R741 PolarHBondContact OD1-NH1 2.77Å; N738-R741 PolarHBondContact OD1-NH2 2.67Å; Q739-R741 VanDerWaalsContact C-N 3.29Å; Q739-R741 PolarHBondContact O-N 3.03Å; R741-A745 WeakPolarHBondContact O-CB 3.19Å; R741-A745 PolarHBondContact O-N 3.41Å
742T87.1Confident83.6Confident81 Ų8167.2 Ų67.250%0.49734%0.336SS..Hα-helixtrans-69.6-46.7174.651.50000111.5N738 Q739 Q744 A745 D746N738-T742 PolarHBondContact O-N 3.18Å; N738-T742 VanDerWaalsContact O-N 3.1Å; Q739-T742 WeakPolarHBondContact CA-OG1 3.43Å; Q739-T742 PolarHBondContact O-N 3.22Å; Q739-T742 PolarHBondContact O-OG1 2.79Å; T742-Q744 VanDerWaalsContact C-N 3.33Å; T742-Q744 PolarHBondContact O-N 3.06Å; T742-A745 WeakPolarHBondContact O-CB 3.27Å; T742-A745 PolarHBondContact O-N 2.89Å; T742-A745 VanDerWaalsContact O-N 3.09Å; T742-D746 PolarHBondContact O-N 3.23Å
743V86.9Confident82.4Confident27 Ų2765.6 Ų65.616%0.16434%0.343CS..Hα-helixtrans-60-43.1176.4174.70000111.3Q739 A745 D746 R747 E865 E866 L869Q739-V743 WeakPolarHBondContact O-CG2 3.33Å; Q739-V743 PolarHBondContact O-N 2.84Å; V743-A745 VanDerWaalsContact C-N 3.35Å; V743-A745 PolarHBondContact O-N 2.92Å; V743-D746 PolarHBondContact O-N 3.4Å; V743-R747 WeakPolarHBondContact O-CB 3.03Å; V743-R747 PolarHBondContact O-N 3.08Å; V743-E865 HydrophobicContact CG2-CG 4.4Å; V743-E866 HydrophobicContact CG1-CB 4.39Å; V743-L869 HydrophobicContact CB-CD1 4.37Å; V743-L869 HydrophobicContact CG2-CD1 3.77Å
744Q84.8Confident81.2Confident62 Ų6266.1 Ų66.129%0.2935%0.349SS..Hα-helixtrans-62.5-38.9175.2-75.2175.4-14.100112.7L740 T742 T748 E866L740-Q744 HydrophobicContact CD1-CG 4.23Å; L740-Q744 WeakPolarHBondContact O-CB 3.48Å; L740-Q744 VanDerWaalsContact O-CG 3.24Å; L740-Q744 WeakPolarHBondContact O-CG 3.45Å; L740-Q744 PolarHBondContact O-N 3.22Å; T742-Q744 VanDerWaalsContact C-N 3.33Å; T742-Q744 PolarHBondContact O-N 3.06Å; Q744-T748 WeakPolarHBondContact O-CG2 3.15Å; Q744-T748 PolarHBondContact O-N 3.39Å; Q744-E866 WeakPolarHBondContact CG-OE1 3.33Å; Q744-E866 PolarHBondContact NE2-OE1 2.84Å
745A79.2Confident79.4Confident48 Ų4868.7 Ų68.740%0.39737%0.371SS..Hα-helixtrans-65.9-49.1175.700000111.4R741 T742 V743 R747 T748 V749R741-A745 WeakPolarHBondContact O-CB 3.19Å; R741-A745 PolarHBondContact O-N 3.41Å; T742-A745 WeakPolarHBondContact O-CB 3.27Å; T742-A745 PolarHBondContact O-N 2.89Å; T742-A745 VanDerWaalsContact O-N 3.09Å; V743-A745 VanDerWaalsContact C-N 3.35Å; V743-A745 PolarHBondContact O-N 2.92Å; A745-R747 VanDerWaalsContact C-N 3.31Å; A745-R747 PolarHBondContact O-N 3.41Å; A745-T748 PolarHBondContact O-N 3.08Å; A745-T748 PolarHBondContact O-OG1 3.23Å; A745-V749 PolarHBondContact O-N 3.13Å
746D83.8Confident77.1Confident108 Ų10867.6 Ų67.658%0.57838%0.382SS*.Hα-helixtrans-60.5-40.2178.6-67.8-26.3000111.6T742 V743 T748 V749 L750T742-D746 PolarHBondContact O-N 3.23Å; V743-D746 PolarHBondContact O-N 3.4Å; D746-T748 VanDerWaalsContact C-N 3.32Å; D746-T748 PolarHBondContact O-N 2.79Å; D746-V749 WeakPolarHBondContact O-CB 3.49Å; D746-V749 PolarHBondContact O-N 3.35Å; D746-V749 VanDerWaalsContact O-N 3.12Å; D746-L750 PolarHBondContact O-N 3.38Å
747R83.8Confident74.8Confident31 Ų3171.5 Ų71.512%0.11740%0.402CS..Hα-helixtrans-58.4-41.4172.5-163.9177.672.4103.44.7112V743 A745 L750 I751 L859 E866V743-R747 WeakPolarHBondContact O-CB 3.03Å; V743-R747 PolarHBondContact O-N 3.08Å; A745-R747 VanDerWaalsContact C-N 3.31Å; A745-R747 PolarHBondContact O-N 3.41Å; R747-L750 PolarHBondContact O-N 2.87Å; R747-I751 HydrophobicContact CG-CD1 4.08Å; R747-I751 WeakPolarHBondContact O-CB 3.35Å; R747-I751 VanDerWaalsContact O-CG1 3.27Å; R747-I751 WeakPolarHBondContact O-CG1 3.32Å; R747-I751 PolarHBondContact O-N 3.31Å; R747-L859 HydrophobicContact CG-CD2 4.22Å; R747-E866 IonicContact CZ-OE2 3.34Å; R747-E866 IonicContact NE-OE2 2.67Å; R747-E866 PolarHBondContact NE-OE2 3.03Å
748T75.6Confident72.9Confident48 Ų4875.7 Ų75.729%0.29443%0.426SS..Hα-helixtrans-68.1-33.4175.762.80000113.1Q744 A745 D746 N752Q744-T748 WeakPolarHBondContact O-CG2 3.15Å; Q744-T748 PolarHBondContact O-N 3.39Å; A745-T748 PolarHBondContact O-N 3.08Å; A745-T748 PolarHBondContact O-OG1 3.23Å; D746-T748 VanDerWaalsContact C-N 3.32Å; D746-T748 PolarHBondContact O-N 2.79Å; T748-N752 VanDerWaalsContact O-CB 3.3Å; T748-N752 WeakPolarHBondContact O-CB 3.4Å; T748-N752 PolarHBondContact O-N 2.86Å; T748-N752 VanDerWaalsContact O-N 3.09Å; T748-N752 PolarHBondContact O-ND2 2.98Å
749V81.6Confident71Confident93 Ų9381.4 Ų81.456%0.56445%0.451SS*.Hα-helixtrans-67.1-44.5173.3176.20000110.4A745 D746 N752 S753A745-V749 PolarHBondContact O-N 3.13Å; D746-V749 WeakPolarHBondContact O-CB 3.49Å; D746-V749 PolarHBondContact O-N 3.35Å; D746-V749 VanDerWaalsContact O-N 3.12Å; V749-N752 PolarHBondContact O-N 3.49Å; V749-S753 WeakPolarHBondContact O-CB 3.37Å; V749-S753 PolarHBondContact O-N 3.26Å
750L79.1Confident68.7Low45 Ų4578.6 Ų78.624%0.23644%0.438CS..Hα-helixtrans-60.8-50.6178.5-174.458.4000111.5D746 R747 N752 S753 G754 K858 L859D746-L750 PolarHBondContact O-N 3.38Å; R747-L750 PolarHBondContact O-N 2.87Å; L750-N752 VanDerWaalsContact C-N 3.27Å; L750-N752 PolarHBondContact O-N 3.49Å; L750-S753 PolarHBondContact O-N 3.43Å; L750-S753 PolarHBondContact O-OG 3.19Å; L750-G754 PolarHBondContact O-N 3.21Å; L750-K858 HydrophobicContact CD2-CB 3.93Å; L750-L859 HydrophobicContact CB-CD2 4.47Å; L750-L859 HydrophobicContact CD2-CD2 3.72Å; L750-L859 HydrophobicContact CD2-CG 3.9Å; L750-L859 HydrophobicContact CG-CD2 4.04Å; L750-L859 HydrophobicContact CG-CG 4.37Å
751I75Confident66.5Low75 Ų7583.1 Ų83.139%0.38546%0.459SS..Hα-helixtrans-57.6-39175.6-68.1166.3000111.6R747 S753 L859R747-I751 HydrophobicContact CG-CD1 4.08Å; R747-I751 WeakPolarHBondContact O-CB 3.35Å; R747-I751 VanDerWaalsContact O-CG1 3.27Å; R747-I751 WeakPolarHBondContact O-CG1 3.32Å; R747-I751 PolarHBondContact O-N 3.31Å; I751-S753 VanDerWaalsContact C-N 3.31Å; I751-S753 PolarHBondContact O-N 3.49Å; I751-L859 HydrophobicContact CD1-CD2 4.48Å; I751-L859 HydrophobicContact CG1-CD2 3.83Å
752N72.2Confident64.7Low122 Ų12283.2 Ų83.265%0.65247%0.469SS*.Hα-helixtrans-74.3-19.2178.3-72.7-25.5000113.5T748 V749 L750T748-N752 VanDerWaalsContact O-CB 3.3Å; T748-N752 WeakPolarHBondContact O-CB 3.4Å; T748-N752 PolarHBondContact O-N 2.86Å; T748-N752 VanDerWaalsContact O-N 3.09Å; T748-N752 PolarHBondContact O-ND2 2.98Å; V749-N752 PolarHBondContact O-N 3.49Å; L750-N752 VanDerWaalsContact C-N 3.27Å; L750-N752 PolarHBondContact O-N 3.49Å
753S65.8Low62.7Low82 Ų8283.2 Ų83.257%0.57347%0.465SS*.Hα-helixtrans-86.2-24.2-179.172.60000114.4V749 L750 I751 T755V749-S753 WeakPolarHBondContact O-CB 3.37Å; V749-S753 PolarHBondContact O-N 3.26Å; L750-S753 PolarHBondContact O-N 3.43Å; L750-S753 PolarHBondContact O-OG 3.19Å; I751-S753 VanDerWaalsContact C-N 3.31Å; I751-S753 PolarHBondContact O-N 3.49Å; S753-T755 VanDerWaalsContact C-N 3.32Å; S753-T755 PolarHBondContact O-N 3.2Å
754G58.1Low60.7Low16 Ų1685.8 Ų85.817%0.16548%0.477CS..  trans-74.3-5.9-172.400000116.7L750 G756L750-G754 PolarHBondContact O-N 3.21Å; G754-G756 PolarHBondContact O-N 3.48Å
755T46.7Very low58.7Low112 Ų11286.1 Ų86.169%0.68748%0.483SS*.THydrogen-bonded Turntrans-7748.2-167.271.80000115.1S753S753-T755 VanDerWaalsContact C-N 3.32Å; S753-T755 PolarHBondContact O-N 3.2Å
756G43.3Very low57Low69 Ų6989.5 Ų89.571%0.71149%0.491SS*.THydrogen-bonded Turntrans-118.6-13.3-170.100000117.2G754G754-G756 PolarHBondContact O-N 3.48Å
757I40.5Very low55.1Low98 Ų9886.6 Ų86.650%0.50348%0.475SS..  trans-133.7131.1-172.8-55.7177.1000110E759 E760I757-E759 VanDerWaalsContact C-N 3.34Å; I757-E759 PolarHBondContact O-N 2.91Å; I757-E760 PolarHBondContact O-N 3.33Å
758E44.3Very low52.9Low188 Ų18889.8 Ų89.888%0.87949%0.489SS*.THydrogen-bonded Turntrans-70.5-24.9-167.5-63.8-179.6151.900113.8E760 Q761E758-E760 VanDerWaalsContact C-N 3.28Å; E758-E760 PolarHBondContact O-N 2.92Å; E758-Q761 WeakPolarHBondContact O-CB 3.44Å; E758-Q761 PolarHBondContact O-N 3.48Å
759E44.5Very low51.2Low163 Ų16395.3 Ų95.376%0.76251%0.509SS*.THydrogen-bonded Turntrans-71.3-17176.5-66.617915800113.6I757 Q761I757-E759 VanDerWaalsContact C-N 3.34Å; I757-E759 PolarHBondContact O-N 2.91Å; E759-Q761 PolarHBondContact O-N 3.41Å
760E44.1Very low49.2Very low38 Ų3896 Ų9618%0.17851%0.509CS..Hα-helixtrans-75.8-8.7174.3-71.3-165.9173.800113.3I757 E758 D762 I763 L764I757-E760 PolarHBondContact O-N 3.33Å; E758-E760 VanDerWaalsContact C-N 3.28Å; E758-E760 PolarHBondContact O-N 2.92Å; E760-D762 VanDerWaalsContact C-N 3.28Å; E760-D762 PolarHBondContact O-N 3.49Å; E760-I763 PolarHBondContact O-N 3.14Å; E760-L764 WeakPolarHBondContact O-CB 3.26Å; E760-L764 PolarHBondContact O-N 2.97Å
761Q38.1Very low47.1Very low115 Ų11597.8 Ų97.854%0.53752%0.518SS..Hα-helixtrans-66.5-32.2-179.3-170.762.233.100112E758 E759 T765E758-Q761 WeakPolarHBondContact O-CB 3.44Å; E758-Q761 PolarHBondContact O-N 3.48Å; E759-Q761 PolarHBondContact O-N 3.41Å; Q761-T765 WeakPolarHBondContact O-CB 3.27Å; Q761-T765 VanDerWaalsContact O-CG2 3.29Å; Q761-T765 WeakPolarHBondContact O-CG2 3.47Å; Q761-T765 PolarHBondContact O-N 2.69Å; Q761-T765 PolarHBondContact O-OG1 3.27Å; Q761-T765 VanDerWaalsContact O-OG1 3.08Å
762D43.6Very low45.1Very low126 Ų12697.5 Ų97.567%0.67452%0.523SS*.Hα-helixtrans-75.4-34.6173.6-74.7-10.6000111.9E760 T765 H766E760-D762 VanDerWaalsContact C-N 3.28Å; E760-D762 PolarHBondContact O-N 3.49Å; D762-T765 WeakPolarHBondContact CA-OG1 3.02Å; D762-T765 PolarHBondContact O-N 2.94Å; D762-T765 PolarHBondContact O-OG1 2.96Å; D762-T765 VanDerWaalsContact O-OG1 3.04Å; D762-H766 WeakPolarHBondContact O-CB 3.27Å; D762-H766 PolarHBondContact O-N 2.88Å
763I45.8Very low43.4Very low81 Ų8196.3 Ų96.342%0.41552%0.52SS..Hα-helixtrans-68.2-42.7174.2-57.6175.4000110.5E760 H766 M767E760-I763 PolarHBondContact O-N 3.14Å; I763-H766 PolarHBondContact O-N 3.01Å; I763-M767 WeakPolarHBondContact O-CB 3.21Å; I763-M767 PolarHBondContact O-N 2.97Å
764L44.4Very low41.9Very low82 Ų8294.9 Ų94.943%0.42951%0.506SS..Hα-helixtrans-67.8-35175.4-177.562.8000111.5E760 K768E760-L764 WeakPolarHBondContact O-CB 3.26Å; E760-L764 PolarHBondContact O-N 2.97Å; L764-K768 WeakPolarHBondContact O-CA 3.33Å; L764-K768 WeakPolarHBondContact O-CB 3.36Å; L764-K768 VanDerWaalsContact O-CG 3.3Å; L764-K768 WeakPolarHBondContact O-CG 3.2Å; L764-K768 PolarHBondContact O-N 2.94Å
765T43.4Very low40.5Very low68 Ų6898.2 Ų98.242%0.41752%0.52SS..Hα-helixtrans-72.7-30.8172.456.10000112.3Q761 D762 K768 K769Q761-T765 WeakPolarHBondContact O-CB 3.27Å; Q761-T765 VanDerWaalsContact O-CG2 3.29Å; Q761-T765 WeakPolarHBondContact O-CG2 3.47Å; Q761-T765 PolarHBondContact O-N 2.69Å; Q761-T765 PolarHBondContact O-OG1 3.27Å; Q761-T765 VanDerWaalsContact O-OG1 3.08Å; D762-T765 WeakPolarHBondContact CA-OG1 3.02Å; D762-T765 PolarHBondContact O-N 2.94Å; D762-T765 PolarHBondContact O-OG1 2.96Å; D762-T765 VanDerWaalsContact O-OG1 3.04Å; T765-K768 CarbonylContact O-C 3.55Å; T765-K769 WeakPolarHBondContact O-CB 3.49Å; T765-K769 PolarHBondContact O-N 2.91Å
766H43.5Very low39.6Very low119 Ų11995.1 Ų95.155%0.55151%0.51SS*.Hα-helixtrans-73.8-47174.1-163.8-101.5000112.8D762 I763 K768 K769 I770D762-H766 WeakPolarHBondContact O-CB 3.27Å; D762-H766 PolarHBondContact O-N 2.88Å; I763-H766 PolarHBondContact O-N 3.01Å; H766-K768 VanDerWaalsContact C-N 3.27Å; H766-K768 PolarHBondContact O-N 3.14Å; H766-K769 WeakPolarHBondContact O-CA 3.46Å; H766-K769 WeakPolarHBondContact O-CB 3.24Å; H766-K769 PolarHBondContact O-N 3.22Å; H766-I770 PolarHBondContact O-N 2.84Å
767M43.5Very low38.9Very low48 Ų4897.4 Ų97.424%0.23650%0.498CS..Hα-helixtrans-64.8-32.1171.6-73.7-167.711100111.9I763 N771 Y856I763-M767 WeakPolarHBondContact O-CB 3.21Å; I763-M767 PolarHBondContact O-N 2.97Å; M767-N771 WeakPolarHBondContact O-CB 3.37Å; M767-N771 PolarHBondContact O-N 2.94Å; M767-N771 PolarHBondContact O-ND2 3.09Å; M767-Y856 HydrophobicContact CE-CD2 4.3Å; M767-Y856 HydrophobicContact CE-CE2 3.85Å; M767-Y856 HydrophobicContact SD-CD2 4.34Å; M767-Y856 HydrophobicContact SD-CE2 4.2Å
768K38.5Very low38.3Very low97 Ų9795.8 Ų95.842%0.42249%0.492SS..Hα-helixtrans-67-38.2163.8-86.8-173164-162.20111.9L764 T765 H766 I770 N771 S772L764-K768 WeakPolarHBondContact O-CA 3.33Å; L764-K768 WeakPolarHBondContact O-CB 3.36Å; L764-K768 VanDerWaalsContact O-CG 3.3Å; L764-K768 WeakPolarHBondContact O-CG 3.2Å; L764-K768 PolarHBondContact O-N 2.94Å; T765-K768 CarbonylContact O-C 3.55Å; H766-K768 VanDerWaalsContact C-N 3.27Å; H766-K768 PolarHBondContact O-N 3.14Å; K768-I770 VanDerWaalsContact C-N 3.26Å; K768-I770 PolarHBondContact O-N 3.14Å; K768-N771 CarbonylContact O-C 3.59Å; K768-N771 PolarHBondContact O-N 2.85Å; K768-N771 VanDerWaalsContact O-N 3.07Å; K768-S772 VanDerWaalsContact O-CA 3.24Å; K768-S772 WeakPolarHBondContact O-CA 3.45Å; K768-S772 WeakPolarHBondContact O-CB 3.29Å; K768-S772 PolarHBondContact O-N 3.14Å
769K39.6Very low37.3Very low165 Ų16591.5 Ų91.572%0.71747%0.472SS*.Hα-helixtrans-61.9-40.2-179.7-149.5172.6-176.2-175.70111T765 H766T765-K769 WeakPolarHBondContact O-CB 3.49Å; T765-K769 PolarHBondContact O-N 2.91Å; H766-K769 WeakPolarHBondContact O-CA 3.46Å; H766-K769 WeakPolarHBondContact O-CB 3.24Å; H766-K769 PolarHBondContact O-N 3.22Å
770I39.6Very low36.4Very low108 Ų10891.1 Ų91.155%0.55447%0.468SS*.Hα-helixtrans-69.4-29.4174.1-62.7170.4000112.6H766 K768H766-I770 PolarHBondContact O-N 2.84Å; K768-I770 VanDerWaalsContact C-N 3.26Å; K768-I770 PolarHBondContact O-N 3.14Å
771N34.4Very low35.4Very low82 Ų8291.8 Ų91.844%0.43948%0.48SS..Hα-helixtrans-107.8-0-179.4-70.4-73.8000115.5M767 K768 N774M767-N771 WeakPolarHBondContact O-CB 3.37Å; M767-N771 PolarHBondContact O-N 2.94Å; M767-N771 PolarHBondContact O-ND2 3.09Å; K768-N771 CarbonylContact O-C 3.59Å; K768-N771 PolarHBondContact O-N 2.85Å; K768-N771 VanDerWaalsContact O-N 3.07Å; N771-N774 CarbonylContact O-C 3.52Å; N771-N774 VanDerWaalsContact O-CA 3.31Å; N771-N774 WeakPolarHBondContact O-CA 3.25Å; N771-N774 WeakPolarHBondContact O-CB 3.31Å; N771-N774 PolarHBondContact O-N 3.25Å
772S33.5Very low34.8Very low69 Ų6992.8 Ų92.848%0.48350%0.497SS..G310 helixtrans-85.3-18.1-175.3177.40000111.2K768 N774K768-S772 VanDerWaalsContact O-CA 3.24Å; K768-S772 WeakPolarHBondContact O-CA 3.45Å; K768-S772 WeakPolarHBondContact O-CB 3.29Å; K768-S772 PolarHBondContact O-N 3.14Å; S772-N774 PolarHBondContact O-N 3.2Å
773T35.8Very low33.9Very low96 Ų9692.6 Ų92.659%0.58950%0.5SS*.G310 helixtrans-65.6-6.215850.50000112.1
774N34.4Very low32.9Very low53 Ų5391.9 Ų91.928%0.28351%0.512SS..G310 helixtrans-121.412.2-176.7-131.6-5.3000112.9N771 S772 G776 R777 R1162N771-N774 CarbonylContact O-C 3.52Å; N771-N774 VanDerWaalsContact O-CA 3.31Å; N771-N774 WeakPolarHBondContact O-CA 3.25Å; N771-N774 WeakPolarHBondContact O-CB 3.31Å; N771-N774 PolarHBondContact O-N 3.25Å; S772-N774 PolarHBondContact O-N 3.2Å; N774-G776 PolarHBondContact O-N 3.24Å; N774-R777 PolarHBondContact O-N 2.83Å; N774-R1162 PolarHBondContact OD1-NH2 3.46Å
775D28.3Very low32Very low85 Ų8596.5 Ų96.546%0.45554%0.536SS..THydrogen-bonded Turntrans-78.615.5-173.8-128-6.4000114R777D775-R777 PolarHBondContact O-N 2.84Å
776G28.9Very low31Very low47 Ų47100.2 Ų100.249%0.48555%0.547SS..THydrogen-bonded Turntrans-65.8-12159.600000113.2N774 V778N774-G776 PolarHBondContact O-N 3.24Å; G776-V778 PolarHBondContact O-N 3.18Å
777R28Very low30Very low117 Ų11798.1 Ų98.144%0.44256%0.557SS.*  trans-60.890.4-176.9-160.9172.1-171.3148.83.9113.1N774 D775 H779N774-R777 PolarHBondContact O-N 2.83Å; D775-R777 PolarHBondContact O-N 2.84Å; R777-H779 VanDerWaalsContact C-N 3.34Å; R777-H779 WeakPolarHBondContact CD-NE2 3.49Å; R777-H779 PolarHBondContact NE-NE2 3.35Å; R777-H779 PolarHBondContact O-N 2.96Å
778V27.4Very low29.1Very low65 Ų65107 Ų10739%0.39459%0.589SS.*  trans-66.889.9169.3-176.10000109.3G776 F780G776-V778 PolarHBondContact O-N 3.18Å; V778-F780 HydrophobicContact CG1-CD2 4.17Å; V778-F780 HydrophobicContact CG1-CE2 3.91Å; V778-F780 PolarHBondContact O-N 3.36Å; V778-F780 VanDerWaalsContact O-N 3.1Å
779H25Very low28.4Very low98 Ų98111.2 Ų111.245%0.45462%0.615SS.*  trans-69.3103.6170.3-90.5-91000110R777 A781R777-H779 VanDerWaalsContact C-N 3.34Å; R777-H779 WeakPolarHBondContact CD-NE2 3.49Å; R777-H779 PolarHBondContact NE-NE2 3.35Å; R777-H779 PolarHBondContact O-N 2.96Å; H779-A781 PolarHBondContact O-N 2.98Å
780F24.2Very low27.7Very low154 Ų154106.8 Ų106.868%0.67562%0.616SS**  trans-68.767.3158.4-77.1-89.4000110.2V778V778-F780 HydrophobicContact CG1-CD2 4.17Å; V778-F780 HydrophobicContact CG1-CE2 3.91Å; V778-F780 PolarHBondContact O-N 3.36Å; V778-F780 VanDerWaalsContact O-N 3.1Å
781A24.3Very low26.8Very low53 Ų53113.6 Ų113.644%0.43863%0.634SS.*SBendtrans-142.3122.4170.400000108.4H779 V783H779-A781 PolarHBondContact O-N 2.98Å; A781-V783 PolarHBondContact O-N 3.43Å; A781-V783 VanDerWaalsContact O-N 3.17Å
782P25.2Very low26.4Very low135 Ų135113.5 Ų113.588%0.87765%0.653SS**  trans-68.6115.3-168.625.5-33.7000112.4G784P782-G784 PolarHBondContact O-N 3.05Å
783V23.6Very low25.7Very low122 Ų122122.2 Ų122.274%0.73968%0.676SS**  trans-71.193.4174.1-179.10000109.4A781A781-V783 PolarHBondContact O-N 3.43Å; A781-V783 VanDerWaalsContact O-N 3.17Å
784G25.5Very low25.1Very low66 Ų66121.4 Ų121.468%0.6869%0.686SS**  trans-136.314.5-16900000116.8P782P782-G784 PolarHBondContact O-N 3.05Å
785L25.7Very low24.5Very low179 Ų179130.6 Ų130.694%0.93772%0.717SS**  trans-152.878.9179.7-152.774.3000114.5
786K22.2Very low24.3Very low146 Ų146131.7 Ų131.764%0.63573%0.729SS**  trans-138.178.3169.9-164.5165.2-171.5171.70111.4R373R373-K786 PolarHBondContact NH2-O 3.33Å
787G23.5Very low24Very low75 Ų75136.3 Ų136.377%0.77375%0.747SS**SBendtrans176.636.7-176.900000119.3
788R24.2Very low23.9Very low236 Ų236134.5 Ų134.589%0.89177%0.765SS**  trans-160.154.5162.1-154.8176.2-72-111.10.2115.6
789L24Very low23.7Very low185 Ų185137.1 Ų137.197%0.96979%0.786SS**  trans-132.2117.4159.1-72176.7000108.1
790G23.6Very low23.6Very low72 Ų72135.6 Ų135.674%0.74280%0.797SS**  trans157.552.2-167.300000113.7
791R21.9Very low23.5Very low250 Ų250140 Ų14094%0.94381%0.809SS**  trans-176.665.8160.9-104.6168.1-136.7-108.33.6110.3
792G24.8Very low23.4Very low81 Ų81144.4 Ų144.484%0.83583%0.831SS**  trans-71.9132.8161.300000109.9
793R20.2Very low23.3Very low252 Ų252145.8 Ų145.895%0.95183%0.83SS**  trans-109.5118150.7-81.4-171.5178.1-177.91.1106.3
794G22.2Very low23.4Very low79 Ų79145.5 Ų145.581%0.81483%0.833SS**  trans-72.7151.7175.700000112.3
795R22.1Very low23.2Very low245 Ų245153 Ų15393%0.92584%0.841SS**  trans-149.4156.2148.1-103.4-157.5171.6-164.5-3.2108.4
796P24.5Very low23.1Very low109 Ų109153.3 Ų153.371%0.70884%0.835SS**  -115.1159.6-127.214.46.9000114.8G798P796-G798 PolarHBondContact O-N 2.69Å
797V22.3Very low23.3Very low144 Ų144154 Ų15487%0.87385%0.845SS**  trans12.8102.9143-1710000115.8
798G25.6Very low23.4Very low79 Ų79156.4 Ų156.481%0.81485%0.845SS**  trans-124.5109.5156.400000107.9P796P796-G798 PolarHBondContact O-N 2.69Å
799S23.6Very low23.3Very low120 Ų120153.9 Ų153.984%0.83984%0.844SS**  trans-80.3148.6-165.5-170.50000114
800G22.5Very low23.3Very low66 Ų66152.3 Ų152.368%0.6884%0.836SS**  trans8190.1143.500000118.6
801R21.8Very low23.2Very low247 Ų247155.5 Ų155.593%0.93284%0.836SS**  trans-153.9107.1135.2-119169.3-179.3179.1-0.7112.5L803R801-L803 PolarHBondContact O-N 3.48Å
802T22.1Very low23.4Very low145 Ų145148.8 Ų148.889%0.8983%0.827SS**  trans-71.6109.1174.433.50000110.7
803L24.8Very low23.4Very low163 Ų163151.9 Ų151.985%0.85383%0.83SS**  trans-108.995.8163.9-80.5171.4000109.3R801 R805R801-L803 PolarHBondContact O-N 3.48Å; L803-R805 VanDerWaalsContact C-N 3.35Å; L803-R805 PolarHBondContact O-N 2.9Å
804S24.2Very low23.6Very low116 Ų116143.5 Ų143.581%0.81181%0.814SS**  trans-6493.9168.3-178.90000109.3K806S804-K806 PolarHBondContact O-N 3.23Å
805R22.7Very low23.7Very low225 Ų225144.5 Ų144.585%0.84982%0.815SS**  trans-8795.4175.5-168.4171.9-173.8162.71.2108.5L803 N807L803-R805 VanDerWaalsContact C-N 3.35Å; L803-R805 PolarHBondContact O-N 2.9Å; R805-N807 PolarHBondContact O-N 3.15Å
806K22.9Very low24Very low184 Ų184137.4 Ų137.480%0.880%0.8SS**PPolyproline II helixtrans-49.9123.1169-71.1179.3175-179.90109.2S804 T808S804-K806 PolarHBondContact O-N 3.23Å; K806-T808 PolarHBondContact O-N 3.13Å
807N25.2Very low24.2Very low160 Ų160138.2 Ų138.286%0.85680%0.798SS**PPolyproline II helixtrans-67.3116.1170.4-80.3-18.4000108.5R805 Q809R805-N807 PolarHBondContact O-N 3.15Å; N807-Q809 PolarHBondContact O-N 3.11Å
808T25.5Very low24.6Very low127 Ų127138.4 Ų138.478%0.77979%0.79SS**PPolyproline II helixtrans-66.7123.217142.60000109.2K806 L810K806-T808 PolarHBondContact O-N 3.13Å; T808-L810 PolarHBondContact O-N 2.97Å
809Q23.1Very low24.9Very low182 Ų182143.6 Ų143.685%0.8579%0.79SS**PPolyproline II helixtrans-51.4137.4168.4-73.8169.9-47.800109.8N807N807-Q809 PolarHBondContact O-N 3.11Å
810L23.9Very low25.3Very low153 Ų153147.1 Ų147.180%0.80179%0.79SS**  trans-129.599.9173.7-139.7160.9000105.6T808 S812T808-L810 PolarHBondContact O-N 2.97Å; L810-S812 PolarHBondContact O-N 3.4Å
811D21.7Very low25.6Very low139 Ų139149.2 Ų149.274%0.74379%0.785SS**  trans-59.1106.4-166.6-63.6-48.3000111.3
812S26.9Very low26.2Very low109 Ų109140.3 Ų140.376%0.76276%0.761SS**  trans-93.298.9171.7-64.40000108.1L810 A814L810-S812 PolarHBondContact O-N 3.4Å; S812-A814 PolarHBondContact O-N 3.07Å
813T23.8Very low26.8Very low145 Ų145139.4 Ų139.489%0.8975%0.751SS**  trans-71.962.4171.855.40000111.1
814A23.7Very low27.4Very low76 Ų76137.3 Ų137.363%0.62874%0.736SS**  trans-99.3111.7158.100000105.9S812 P816S812-A814 PolarHBondContact O-N 3.07Å; A814-P816 WeakPolarHBondContact O-CD 3.4Å; A814-P816 VanDerWaalsContact O-N 3.15Å
815A25.3Very low27.9Very low100 Ų100135.7 Ų135.783%0.82672%0.719SS**  trans-58.3117.9179.600000109.4
816P28.4Very low28.4Very low96 Ų96131.4 Ų131.462%0.62370%0.703SS**  trans-63.4151.6-178.2-24.536.4000112.1A814 E818A814-P816 WeakPolarHBondContact O-CD 3.4Å; A814-P816 VanDerWaalsContact O-N 3.15Å; P816-E818 HydrophobicContact CB-CG 4.07Å; P816-E818 PolarHBondContact O-N 2.77Å
817L28.1Very low28.9Very low126 Ų126128.5 Ų128.566%0.6669%0.691SS**SBendtrans-75.755.6-179.5-167.577000111.6
818E30.2Very low29.4Very low149 Ų149128 Ų12870%0.69669%0.687SS**  trans-90.3-6.7-169-86179.1177.400115.3P816P816-E818 HydrophobicContact CB-CG 4.07Å; P816-E818 PolarHBondContact O-N 2.77Å
819K32Very low29.7Very low187 Ų187128.4 Ų128.481%0.81368%0.683SS**SBendtrans-91.8-5.5-169.4-79.9-167.2173-174.80117.6
820F31.8Very low29.8Very low195 Ų195124.2 Ų124.286%0.85567%0.667SS**SBendtrans-14125.6-172.9-63.6-68.8000115.5
821L29.9Very low30Very low110 Ų110127.6 Ų127.658%0.57667%0.669SS**SBendtrans-113.9135.1163.6-67.4176.5000108.7
822S34.8Very low30.3Very low59 Ų59129.6 Ų129.641%0.41367%0.671SS.*  trans-76.1146177.523.40000111.8E824 D825S822-E824 PolarHBondContact O-N 3.25Å; S822-D825 PolarHBondContact O-N 2.87Å; S822-D825 PolarHBondContact OG-OD2 3.05Å
823D34Very low30.3Very low127 Ų127133.4 Ų133.468%0.67968%0.677SS**Hα-helixtrans-54.7-26.9-179.2-79.4-31.3000114.3Y826 K827D823-Y826 WeakPolarHBondContact O-CB 3.4Å; D823-Y826 PolarHBondContact O-N 2.81Å; D823-K827 PolarHBondContact O-N 2.74Å; D823-K827 VanDerWaalsContact O-N 3.08Å
824E37Very low30.4Very low118 Ų118135.5 Ų135.555%0.55168%0.676SS**Hα-helixtrans-68-36.3178.5-65.7-53.1128.800113S822 Y826 K827 L828S822-E824 PolarHBondContact O-N 3.25Å; E824-Y826 PolarHBondContact O-N 2.97Å; E824-K827 PolarHBondContact O-N 3.43Å; E824-K827 IonicContact OE1-NZ 2.79Å; E824-K827 PolarHBondContact OE1-NZ 3.38Å; E824-K827 IonicContact OE2-NZ 2.71Å; E824-L828 PolarHBondContact O-N 2.8Å; E824-L828 VanDerWaalsContact O-N 3.17Å
825D35.3Very low30.4Very low82 Ų82142.7 Ų142.744%0.43969%0.687SS.*Hα-helixtrans-66.2-33.5173.6-57.1-57.4000110.6S822 L828 I829S822-D825 PolarHBondContact O-N 2.87Å; S822-D825 PolarHBondContact OG-OD2 3.05Å; D825-L828 PolarHBondContact O-N 2.83Å; D825-I829 WeakPolarHBondContact O-CD1 3.27Å; D825-I829 WeakPolarHBondContact O-CG1 3.35Å; D825-I829 PolarHBondContact O-N 3.4Å
826Y32.9Very low30.4Very low135 Ų135143.4 Ų143.453%0.52968%0.683SS.*Hα-helixtrans-69.9-33177.9-130.2-81.9000113.2D823 E824 N830D823-Y826 WeakPolarHBondContact O-CB 3.4Å; D823-Y826 PolarHBondContact O-N 2.81Å; E824-Y826 PolarHBondContact O-N 2.97Å; Y826-N830 PolarHBondContact O-ND2 3.18Å; Y826-N830 VanDerWaalsContact O-ND2 3.16Å
827K32.9Very low30.2Very low123 Ų123146.4 Ų146.454%0.53569%0.694SS.*Hα-helixtrans-72.5-38.3174.4-73.3175.1-170.3161.20112.3D823 E824 I829 N830D823-K827 PolarHBondContact O-N 2.74Å; D823-K827 VanDerWaalsContact O-N 3.08Å; E824-K827 PolarHBondContact O-N 3.43Å; E824-K827 IonicContact OE1-NZ 2.79Å; E824-K827 PolarHBondContact OE1-NZ 3.38Å; E824-K827 IonicContact OE2-NZ 2.71Å; K827-I829 VanDerWaalsContact C-N 3.26Å; K827-I829 PolarHBondContact O-N 3.38Å; K827-N830 PolarHBondContact O-N 3.01Å
828L35.7Very low30.1Very low149 Ų149145.5 Ų145.578%0.7870%0.698SS**Hα-helixtrans-63.6-34.8179.2-141.378.6000111.9E824 D825E824-L828 PolarHBondContact O-N 2.8Å; E824-L828 VanDerWaalsContact O-N 3.17Å; D825-L828 PolarHBondContact O-N 2.83Å
829I31.9Very low29.8Very low137 Ų137146.2 Ų146.270%0.70371%0.707SS**Hα-helixtrans-74.1-21.7179.2-66.2167000112.9D825 K827D825-I829 WeakPolarHBondContact O-CD1 3.27Å; D825-I829 WeakPolarHBondContact O-CG1 3.35Å; D825-I829 PolarHBondContact O-N 3.4Å; K827-I829 VanDerWaalsContact C-N 3.26Å; K827-I829 PolarHBondContact O-N 3.38Å
830N26.7Very low29.7Very low93 Ų93143.4 Ų143.450%0.49771%0.705SS.*THydrogen-bonded Turntrans-115.422.1-168.2-79.5-62.1000116Y826 K827 K832Y826-N830 PolarHBondContact O-ND2 3.18Å; Y826-N830 VanDerWaalsContact O-ND2 3.16Å; K827-N830 PolarHBondContact O-N 3.01Å; N830-K832 VanDerWaalsContact C-N 3.29Å; N830-K832 PolarHBondContact O-N 3.42Å
831R27.2Very low29.2Very low225 Ų225138 Ų13885%0.84971%0.705SS**  trans-70.284.3166.2-79.3-168.8174.6-169.70.6111.3E833R831-E833 PolarHBondContact O-N 3.07Å
832K27.1Very low29.1Very low180 Ų180138.6 Ų138.678%0.78371%0.713SS**  trans-75.1108.8161-74-179.3178.11740108.6N830N830-K832 VanDerWaalsContact C-N 3.29Å; N830-K832 PolarHBondContact O-N 3.42Å
833E27.5Very low28.7Very low190 Ų190141.9 Ų141.989%0.88873%0.731SS**PPolyproline II helixtrans-62.3137.2177.4-64.9-174.6149.200111.3R831 R835R831-E833 PolarHBondContact O-N 3.07Å; E833-R835 PolarHBondContact O-N 3.14Å
834H25.7Very low28.1Very low188 Ų188140.9 Ų140.987%0.8774%0.74SS**PPolyproline II helixtrans-73.8126-175.7-83.6-97.9000111.1
835R23.3Very low27.6Very low227 Ų227140.2 Ų140.286%0.85775%0.749SS**PPolyproline II helixtrans-78.2121.6173.8-148.4179.1-162174.54.8109E833E833-R835 PolarHBondContact O-N 3.14Å
836P27.2Very low26.9Very low116 Ų116142.1 Ų142.175%0.75377%0.767SS**PPolyproline II helixtrans-72.1137.7176.928.2-33000110.8
837N23Very low26.7Very low158 Ų158142.8 Ų142.885%0.84578%0.778SS**PPolyproline II helixtrans-82.2126.5172.3-66.4-28.4000109.5
838S27.3Very low26.3Very low108 Ų108142.2 Ų142.276%0.75579%0.79SS**  trans-138.7105.7160.149.90000110T840S838-T840 PolarHBondContact O-N 3.02Å
839D23Very low26.1Very low163 Ų163139.6 Ų139.687%0.87278%0.784SS**  trans-77.3103.6174.4-68.7-55.5000110.3
840T29.7Very low26.1Very low128 Ų128137 Ų13779%0.78578%0.778SS**  trans-141107159.435.90000110.1S838S838-T840 PolarHBondContact O-N 3.02Å
841G20.9Very low26.8Very low82 Ų82137 Ų13785%0.84579%0.785SS**  trans-84.8114.2-179.800000112.5
842T27.5Very low27.3Very low123 Ų123128.8 Ų128.876%0.75576%0.76SS**  trans-143.3116.2164.6-39.60000111.4
843T26.9Very low28.3Very low128 Ų128124.4 Ų124.479%0.78575%0.748SS**  trans42125.9156.260.50000121S845T843-S845 PolarHBondContact O-N 3.46Å
844A22.4Very low30.4Very low105 Ų105118.6 Ų118.687%0.86872%0.724SS**  trans-56.6130.9172.100000114.6
845S25.1Very low32.8Very low105 Ų105112.1 Ų112.173%0.73470%0.695SS**  trans-144.7102.9147.7-1720000109.2T843T843-S845 PolarHBondContact O-N 3.46Å
846C22Very low35.1Very low122 Ų122107.4 Ų107.482%0.82468%0.678SS**  trans-93.6102.8179.7490000110.4
847I27.1Very low37.7Very low148 Ų148107 Ų10776%0.75967%0.666SS**  trans-114.1125.2166.2-61.3179.2000107.7
848S26.2Very low40.6Very low111 Ų111104.5 Ų104.578%0.77665%0.648SS**  trans-92.3112.9-172.9-61.10000111.5
849S29.8Very low43.1Very low94 Ų94100.6 Ų100.666%0.65762%0.618SS**  trans-119.716.1172.8520000113S851S849-S851 PolarHBondContact O-N 3.07Å
850S33.5Very low45.8Very low84 Ų8495.2 Ų95.259%0.58759%0.591SS**THydrogen-bonded Turntrans-87.25.8-163.6-380000116.4
851S40Very low48.5Very low91 Ų9193.4 Ų93.464%0.63658%0.577SS**THydrogen-bonded Turntrans-92.6-40.8-171.1-58.10000113.8S849S849-S851 PolarHBondContact O-N 3.07Å
852T38.1Very low51.6Low54 Ų5490.4 Ų90.433%0.33154%0.543SS..THydrogen-bonded Turntrans-77-39.2-175.943.10000112.4N854 I855 Y856T852-N854 PolarHBondContact O-N 3.26Å; T852-I855 PolarHBondContact O-N 3.22Å; T852-Y856 PolarHBondContact O-N 2.87Å
853T48.5Very low54.3Low87 Ų8787.9 Ų87.953%0.53452%0.524SS..Hα-helixtrans-54.2-39.7174.452.10000111.9I855 Y856 E857T853-I855 VanDerWaalsContact C-N 3.3Å; T853-I855 PolarHBondContact O-N 3Å; T853-Y856 PolarHBondContact O-N 2.9Å; T853-E857 WeakPolarHBondContact O-CB 3.42Å; T853-E857 PolarHBondContact O-N 3.4Å; T853-E857 VanDerWaalsContact O-N 3.08Å
854N71.7Confident57.1Low68 Ų6885.7 Ų85.736%0.36451%0.507SS..Hα-helixtrans-68.1-22.7-176.3-152.1-88000114.3T852 K858T852-N854 PolarHBondContact O-N 3.26Å; N854-K858 VanDerWaalsContact O-CD 3.3Å; N854-K858 WeakPolarHBondContact O-CD 3.16Å; N854-K858 VanDerWaalsContact O-CG 3.31Å; N854-K858 WeakPolarHBondContact O-CG 2.98Å; N854-K858 WeakPolarHBondContact OD1-CE 3.23Å; N854-K858 PolarHBondContact OD1-NZ 3.2Å
855I75Confident60.2Low52 Ų5284.5 Ų84.527%0.26748%0.484SS..Hα-helixtrans-86.1-42.1177.1-60.1177000110.4T852 T853 K858 L859T852-I855 PolarHBondContact O-N 3.22Å; T853-I855 VanDerWaalsContact C-N 3.3Å; T853-I855 PolarHBondContact O-N 3Å; I855-K858 PolarHBondContact O-N 2.96Å; I855-L859 HydrophobicContact CG2-CD1 4.14Å; I855-L859 WeakPolarHBondContact O-CG 3.47Å; I855-L859 PolarHBondContact O-N 3.04Å
856Y72.7Confident63Low128 Ų12880.3 Ų80.350%0.50245%0.453SS..Hα-helixtrans-60.6-49.4176.9-174.1-90.8000111M767 T852 T853 K858 L859 T860M767-Y856 HydrophobicContact CE-CD2 4.3Å; M767-Y856 HydrophobicContact CE-CE2 3.85Å; M767-Y856 HydrophobicContact SD-CD2 4.34Å; M767-Y856 HydrophobicContact SD-CE2 4.2Å; T852-Y856 PolarHBondContact O-N 2.87Å; T853-Y856 PolarHBondContact O-N 2.9Å; Y856-K858 VanDerWaalsContact C-N 3.33Å; Y856-K858 PolarHBondContact O-N 3.28Å; Y856-L859 PolarHBondContact O-N 2.98Å; Y856-T860 HydrophobicContact CD1-CG2 4.02Å; Y856-T860 HydrophobicContact CE1-CG2 3.56Å; Y856-T860 PolarHBondContact O-N 3.36Å; Y856-T860 PolarHBondContact O-OG1 2.74Å; Y856-T860 VanDerWaalsContact O-OG1 3.13Å
857E80.4Confident65.7Low109 Ų10979.9 Ų79.951%0.50944%0.438SS..Hα-helixtrans-53.1-47.1176.6-168.7175.1-161.900111.6T853 L859 T860 D861T853-E857 WeakPolarHBondContact O-CB 3.42Å; T853-E857 PolarHBondContact O-N 3.4Å; T853-E857 VanDerWaalsContact O-N 3.08Å; E857-L859 PolarHBondContact O-N 3.2Å; E857-T860 WeakPolarHBondContact CA-OG1 3.25Å; E857-T860 PolarHBondContact O-N 3.47Å; E857-T860 PolarHBondContact O-OG1 3.37Å; E857-D861 WeakPolarHBondContact O-CB 3.46Å; E857-D861 PolarHBondContact O-N 2.87Å
858K83.9Confident68.6Low105 Ų10577.8 Ų77.846%0.45742%0.424SS..Hα-helixtrans-65.6-33.5176.1-75.4171.9179.5153.20114.4L750 N854 I855 Y856 S862L750-K858 HydrophobicContact CD2-CB 3.93Å; N854-K858 VanDerWaalsContact O-CD 3.3Å; N854-K858 WeakPolarHBondContact O-CD 3.16Å; N854-K858 VanDerWaalsContact O-CG 3.31Å; N854-K858 WeakPolarHBondContact O-CG 2.98Å; N854-K858 WeakPolarHBondContact OD1-CE 3.23Å; N854-K858 PolarHBondContact OD1-NZ 3.2Å; I855-K858 PolarHBondContact O-N 2.96Å; Y856-K858 VanDerWaalsContact C-N 3.33Å; Y856-K858 PolarHBondContact O-N 3.28Å; K858-S862 VanDerWaalsContact O-CB 3.26Å; K858-S862 WeakPolarHBondContact O-CB 3.36Å; K858-S862 PolarHBondContact O-N 3.36Å
859L80.9Confident71.5Confident26 Ų2673 Ų7314%0.13639%0.39CS..Hα-helixtrans-73.7-37.4175.9-76170000111.4R747 L750 I751 I855 Y856 E857 L863R747-L859 HydrophobicContact CG-CD2 4.22Å; L750-L859 HydrophobicContact CB-CD2 4.47Å; L750-L859 HydrophobicContact CD2-CD2 3.72Å; L750-L859 HydrophobicContact CD2-CG 3.9Å; L750-L859 HydrophobicContact CG-CD2 4.04Å; L750-L859 HydrophobicContact CG-CG 4.37Å; I751-L859 HydrophobicContact CD1-CD2 4.48Å; I751-L859 HydrophobicContact CG1-CD2 3.83Å; I855-L859 HydrophobicContact CG2-CD1 4.14Å; I855-L859 WeakPolarHBondContact O-CG 3.47Å; I855-L859 PolarHBondContact O-N 3.04Å; Y856-L859 PolarHBondContact O-N 2.98Å; E857-L859 PolarHBondContact O-N 3.2Å; L859-L863 WeakPolarHBondContact O-CB 3.39Å; L859-L863 WeakPolarHBondContact O-CG 3.28Å; L859-L863 PolarHBondContact O-N 3.41Å
860T80Confident73.7Confident49 Ų4969.4 Ų69.430%0.30136%0.363SS..Hα-helixtrans-67.5-42.4172.846.70000111.6Y856 E857 S862 L863 L864Y856-T860 HydrophobicContact CD1-CG2 4.02Å; Y856-T860 HydrophobicContact CE1-CG2 3.56Å; Y856-T860 PolarHBondContact O-N 3.36Å; Y856-T860 PolarHBondContact O-OG1 2.74Å; Y856-T860 VanDerWaalsContact O-OG1 3.13Å; E857-T860 WeakPolarHBondContact CA-OG1 3.25Å; E857-T860 PolarHBondContact O-N 3.47Å; E857-T860 PolarHBondContact O-OG1 3.37Å; T860-S862 PolarHBondContact O-N 3.09Å; T860-L863 PolarHBondContact O-N 2.94Å; T860-L864 WeakPolarHBondContact O-CB 3.34Å; T860-L864 PolarHBondContact O-N 3.33Å
861D85.1Confident75.9Confident91 Ų9167.8 Ų67.849%0.48735%0.348SS..Hα-helixtrans-60.7-44.9174.8-70.5-16.2000111.4E857 L863 L864 E865E857-D861 WeakPolarHBondContact O-CB 3.46Å; E857-D861 PolarHBondContact O-N 2.87Å; D861-L863 VanDerWaalsContact C-N 3.32Å; D861-L863 PolarHBondContact O-N 3.24Å; D861-L864 PolarHBondContact O-N 2.58Å; D861-E865 WeakPolarHBondContact O-CB 3.5Å; D861-E865 PolarHBondContact O-N 3.46Å
862S87.5Confident78.1Confident19 Ų1965.8 Ų65.813%0.13333%0.334CS..Hα-helixtrans-63.5-34.7176.9174.70000113K858 T860 E866K858-S862 VanDerWaalsContact O-CB 3.26Å; K858-S862 WeakPolarHBondContact O-CB 3.36Å; K858-S862 PolarHBondContact O-N 3.36Å; T860-S862 PolarHBondContact O-N 3.09Å; S862-E866 WeakPolarHBondContact O-CB 3.45Å; S862-E866 PolarHBondContact O-N 3.47Å
863L82.8Confident80.2Confident69 Ų6963.5 Ų63.536%0.36132%0.319SS..Hα-helixtrans-74-40.9175.5-77.4171.2000112L859 T860 D861 E865 E866 Q867L859-L863 WeakPolarHBondContact O-CB 3.39Å; L859-L863 WeakPolarHBondContact O-CG 3.28Å; L859-L863 PolarHBondContact O-N 3.41Å; T860-L863 PolarHBondContact O-N 2.94Å; D861-L863 VanDerWaalsContact C-N 3.32Å; D861-L863 PolarHBondContact O-N 3.24Å; L863-E865 VanDerWaalsContact C-N 3.29Å; L863-E865 PolarHBondContact O-N 2.83Å; L863-E866 PolarHBondContact O-N 3.02Å; L863-Q867 PolarHBondContact O-N 3.12Å
864L85.8Confident81.5Confident82 Ų8260.2 Ų60.243%0.42930%0.299SS..Hα-helixtrans-62.3-39174.8179.761.7000111T860 D861 Q867 K868T860-L864 WeakPolarHBondContact O-CB 3.34Å; T860-L864 PolarHBondContact O-N 3.33Å; D861-L864 PolarHBondContact O-N 2.58Å; L864-Q867 PolarHBondContact O-N 3.13Å; L864-K868 HydrophobicContact CG-CD 4.38Å; L864-K868 VanDerWaalsContact O-CG 3.28Å; L864-K868 WeakPolarHBondContact O-CG 3.44Å; L864-K868 PolarHBondContact O-N 3.47Å
865E88.4Confident81.9Confident81 Ų8162.5 Ų62.538%0.37931%0.308SS..Hα-helixtrans-71-39.1174.8-166.163.3-169.200112.5V743 D861 L863 Q867 K868 L869V743-E865 HydrophobicContact CG2-CG 4.4Å; D861-E865 WeakPolarHBondContact O-CB 3.5Å; D861-E865 PolarHBondContact O-N 3.46Å; L863-E865 VanDerWaalsContact C-N 3.29Å; L863-E865 PolarHBondContact O-N 2.83Å; E865-Q867 VanDerWaalsContact C-N 3.29Å; E865-Q867 PolarHBondContact O-N 3.03Å; E865-K868 PolarHBondContact O-N 3.29Å; E865-K868 WeakPolarHBondContact OE2-CD 3.27Å; E865-K868 IonicContact OE2-NZ 3.04Å; E865-L869 HydrophobicContact CG-CD1 4.28Å; E865-L869 WeakPolarHBondContact O-CB 3.5Å; E865-L869 VanDerWaalsContact O-CG 3.31Å; E865-L869 WeakPolarHBondContact O-CG 3.34Å; E865-L869 PolarHBondContact O-N 3.17Å
866E83.9Confident82.3Confident16 Ų1660.8 Ų60.88%0.07530%0.3CS..Hα-helixtrans-57.6-42169.9170.3162.4-162.200111.1L740 V743 Q744 R747 S862 L863 L870L740-E866 HydrophobicContact CD1-CB 4.4Å; L740-E866 HydrophobicContact CD1-CG 3.8Å; V743-E866 HydrophobicContact CG1-CB 4.39Å; Q744-E866 WeakPolarHBondContact CG-OE1 3.33Å; Q744-E866 PolarHBondContact NE2-OE1 2.84Å; R747-E866 IonicContact CZ-OE2 3.34Å; R747-E866 IonicContact NE-OE2 2.67Å; R747-E866 PolarHBondContact NE-OE2 3.03Å; S862-E866 WeakPolarHBondContact O-CB 3.45Å; S862-E866 PolarHBondContact O-N 3.47Å; L863-E866 PolarHBondContact O-N 3.02Å; E866-L870 HydrophobicContact CG-CD1 4.02Å; E866-L870 WeakPolarHBondContact O-CB 3.36Å; E866-L870 WeakPolarHBondContact O-CD1 3.28Å; E866-L870 VanDerWaalsContact O-CG 3.27Å; E866-L870 WeakPolarHBondContact O-CG 3.5Å; E866-L870 PolarHBondContact O-N 3.19Å
867Q78.6Confident82.6Confident113 Ų11355.1 Ų55.153%0.52828%0.279SS..Hα-helixtrans-67.1-46.7175.9-174.9173.6-4.800112.7L863 L864 E865 L869 L870 D871L863-Q867 PolarHBondContact O-N 3.12Å; L864-Q867 PolarHBondContact O-N 3.13Å; E865-Q867 VanDerWaalsContact C-N 3.29Å; E865-Q867 PolarHBondContact O-N 3.03Å; Q867-L869 VanDerWaalsContact C-N 3.31Å; Q867-L869 PolarHBondContact O-N 3.02Å; Q867-L870 PolarHBondContact O-N 3.38Å; Q867-D871 PolarHBondContact O-N 2.68Å
868K88.5Confident82.2Confident105 Ų10554.3 Ų54.346%0.45727%0.271SS..Hα-helixtrans-59.3-40.2175.3-74.4166178.8171.40112.4L864 E865 S872L864-K868 HydrophobicContact CG-CD 4.38Å; L864-K868 VanDerWaalsContact O-CG 3.28Å; L864-K868 WeakPolarHBondContact O-CG 3.44Å; L864-K868 PolarHBondContact O-N 3.47Å; E865-K868 PolarHBondContact O-N 3.29Å; E865-K868 WeakPolarHBondContact OE2-CD 3.27Å; E865-K868 IonicContact OE2-NZ 3.04Å; K868-S872 VanDerWaalsContact O-CB 3.32Å; K868-S872 WeakPolarHBondContact O-CB 3.45Å; K868-S872 PolarHBondContact O-N 3.37Å; K868-S872 PolarHBondContact O-OG 3.39Å
869L87.1Confident81.7Confident10 Ų1049.4 Ų49.45%0.05225%0.25CS..Hα-helixtrans-67.5-40.5175.5-75.7168.2000111.5L736 Q739 L740 V743 E865 Q867 S872 I873L736-L869 HydrophobicContact CD2-CD2 4.03Å; Q739-L869 HydrophobicContact CB-CD1 4.2Å; Q739-L869 HydrophobicContact CB-CD2 3.91Å; L740-L869 HydrophobicContact CD1-CB 4.44Å; V743-L869 HydrophobicContact CB-CD1 4.37Å; V743-L869 HydrophobicContact CG2-CD1 3.77Å; E865-L869 HydrophobicContact CG-CD1 4.28Å; E865-L869 WeakPolarHBondContact O-CB 3.5Å; E865-L869 VanDerWaalsContact O-CG 3.31Å; E865-L869 WeakPolarHBondContact O-CG 3.34Å; E865-L869 PolarHBondContact O-N 3.17Å; Q867-L869 VanDerWaalsContact C-N 3.31Å; Q867-L869 PolarHBondContact O-N 3.02Å; L869-S872 PolarHBondContact O-N 2.93Å; L869-I873 WeakPolarHBondContact O-CB 3.29Å; L869-I873 WeakPolarHBondContact O-CD1 3.42Å; L869-I873 WeakPolarHBondContact O-CG1 3.49Å; L869-I873 PolarHBondContact O-N 2.86Å
870L76.6Confident81.3Confident18 Ų1849.1 Ų49.19%0.09425%0.25CS..Hα-helixtrans-63.7-43.3174.8-79.8165.1000112.3L740 E866 Q867 S872 I873 T874 P1163 L1164L740-L870 HydrophobicContact CD1-CG 4.16Å; L740-L870 HydrophobicContact CD2-CD2 3.69Å; L740-L870 HydrophobicContact CD2-CG 4.12Å; E866-L870 HydrophobicContact CG-CD1 4.02Å; E866-L870 WeakPolarHBondContact O-CB 3.36Å; E866-L870 WeakPolarHBondContact O-CD1 3.28Å; E866-L870 VanDerWaalsContact O-CG 3.27Å; E866-L870 WeakPolarHBondContact O-CG 3.5Å; E866-L870 PolarHBondContact O-N 3.19Å; Q867-L870 PolarHBondContact O-N 3.38Å; L870-S872 VanDerWaalsContact C-N 3.34Å; L870-I873 PolarHBondContact O-N 2.98Å; L870-T874 PolarHBondContact O-N 3.17Å; L870-T874 PolarHBondContact O-OG1 3.21Å; L870-P1163 HydrophobicContact CD1-CB 3.94Å; L870-P1163 HydrophobicContact CD1-CG 3.96Å; L870-L1164 HydrophobicContact CB-CD2 3.89Å; L870-L1164 HydrophobicContact CD2-CD1 4.34Å; L870-L1164 HydrophobicContact CD2-CD2 4.03Å; L870-L1164 HydrophobicContact CD2-CG 4.22Å
871D79.5Confident80.8Confident50 Ų5050.3 Ų50.327%0.26726%0.261SS..Hα-helixtrans-67.8-33.1175-79.1-22.3000112.5Q867 T874 Q875 K1167Q867-D871 PolarHBondContact O-N 2.68Å; D871-T874 WeakPolarHBondContact CA-OG1 3.27Å; D871-T874 PolarHBondContact O-OG1 3.28Å; D871-Q875 WeakPolarHBondContact O-CB 3.38Å; D871-Q875 PolarHBondContact O-N 3.03Å; D871-Q875 VanDerWaalsContact O-N 3.1Å; D871-K1167 IonicContact OD1-NZ 2.67Å; D871-K1167 PolarHBondContact OD1-NZ 3.42Å; D871-K1167 IonicContact OD2-NZ 3.18Å; D871-K1167 PolarHBondContact OD2-NZ 3.39Å; D871-K1167 VanDerWaalsContact OD2-NZ 3.1Å
872S86.3Confident80.2Confident50 Ų5048 Ų4835%0.3525%0.247SC..Hα-helixtrans-68.6-40.3170.6-60.40000111.8K868 L869 L870 V876K868-S872 VanDerWaalsContact O-CB 3.32Å; K868-S872 WeakPolarHBondContact O-CB 3.45Å; K868-S872 PolarHBondContact O-N 3.37Å; K868-S872 PolarHBondContact O-OG 3.39Å; L869-S872 PolarHBondContact O-N 2.93Å; L870-S872 VanDerWaalsContact C-N 3.34Å; S872-V876 VanDerWaalsContact O-CG2 3.25Å; S872-V876 WeakPolarHBondContact O-CG2 3.23Å; S872-V876 PolarHBondContact O-N 3.48Å
873I81.9Confident79.7Confident5 Ų548.3 Ų48.33%0.02625%0.247CC..Hα-helixtrans-63.4-45.1177.8-73.1161.3000110.4L736 R737 L740 L869 L870 S877L736-I873 HydrophobicContact CB-CD1 4.26Å; L736-I873 HydrophobicContact CB-CG1 3.52Å; L736-I873 HydrophobicContact CD1-CG1 4.43Å; R737-I873 HydrophobicContact CG-CD1 3.94Å; R737-I873 HydrophobicContact CG-CG1 4.27Å; R737-I873 HydrophobicContact CG-CG2 4.3Å; L740-I873 HydrophobicContact CB-CD1 4.04Å; L740-I873 HydrophobicContact CD2-CD1 3.7Å; L740-I873 HydrophobicContact CG-CD1 4.49Å; L869-I873 WeakPolarHBondContact O-CB 3.29Å; L869-I873 WeakPolarHBondContact O-CD1 3.42Å; L869-I873 WeakPolarHBondContact O-CG1 3.49Å; L869-I873 PolarHBondContact O-N 2.86Å; L870-I873 PolarHBondContact O-N 2.98Å; I873-S877 WeakPolarHBondContact O-CB 3.43Å; I873-S877 PolarHBondContact O-N 2.91Å; I873-S877 PolarHBondContact O-OG 3.32Å; I873-S877 VanDerWaalsContact O-OG 3.08Å
874T74.5Confident79.8Confident19 Ų1948.7 Ų48.712%0.11725%0.254CS..Hα-helixtrans-64.3-46.5177.3400000112.4L870 D871 V876 S877 R878 M898 L1164L870-T874 PolarHBondContact O-N 3.17Å; L870-T874 PolarHBondContact O-OG1 3.21Å; D871-T874 WeakPolarHBondContact CA-OG1 3.27Å; D871-T874 PolarHBondContact O-OG1 3.28Å; T874-V876 VanDerWaalsContact C-N 3.26Å; T874-V876 PolarHBondContact O-N 3.3Å; T874-S877 WeakPolarHBondContact CA-OG 3.25Å; T874-S877 PolarHBondContact O-N 3.4Å; T874-S877 PolarHBondContact O-OG 2.92Å; T874-S877 VanDerWaalsContact O-OG 3.11Å; T874-R878 PolarHBondContact O-N 3.44Å; T874-M898 HydrophobicContact CG2-CE 4.09Å; T874-L1164 HydrophobicContact CG2-CB 3.99Å; T874-L1164 HydrophobicContact CG2-CD1 3.49Å; T874-L1164 VanDerWaalsContact CG2-CD1 3.49Å; T874-L1164 HydrophobicContact CG2-CD2 3.42Å; T874-L1164 VanDerWaalsContact CG2-CD2 3.42Å; T874-L1164 HydrophobicContact CG2-CG 3.78Å
875Q80.4Confident79.7Confident115 Ų11545 Ų4554%0.53724%0.235SC..Hα-helixtrans-64.4-32.4-178.2-174.158.41400112.4D871D871-Q875 WeakPolarHBondContact O-CB 3.38Å; D871-Q875 PolarHBondContact O-N 3.03Å; D871-Q875 VanDerWaalsContact O-N 3.1Å
876V83.3Confident79.7Confident17 Ų1742.3 Ų42.310%0.10323%0.229CC..Hα-helixtrans-82.2-35.4174.2-176.20000111.9Q729 R732 V733 L736 S872 T874 R878 G879Q729-V876 HydrophobicContact CB-CG1 4.16Å; Q729-V876 HydrophobicContact CG-CG1 4.41Å; Q729-V876 WeakPolarHBondContact O-CG1 3.36Å; R732-V876 HydrophobicContact CB-CG1 3.82Å; R732-V876 HydrophobicContact CG-CG1 3.85Å; R732-V876 HydrophobicContact CG-CG2 4.12Å; V733-V876 HydrophobicContact CG2-CB 4Å; V733-V876 HydrophobicContact CG2-CG1 3.67Å; L736-V876 HydrophobicContact CD1-CB 4.33Å; L736-V876 HydrophobicContact CD1-CG2 3.88Å; S872-V876 VanDerWaalsContact O-CG2 3.25Å; S872-V876 WeakPolarHBondContact O-CG2 3.23Å; S872-V876 PolarHBondContact O-N 3.48Å; T874-V876 VanDerWaalsContact C-N 3.26Å; T874-V876 PolarHBondContact O-N 3.3Å; V876-R878 VanDerWaalsContact C-N 3.26Å; V876-R878 PolarHBondContact O-N 2.89Å; V876-G879 PolarHBondContact O-N 3.48Å
877S78.8Confident79.9Confident8 Ų844.7 Ų44.76%0.05624%0.24CC..Hα-helixtrans-66.5-26.7-177.763.60000113.9I873 T874 G879 C880I873-S877 WeakPolarHBondContact O-CB 3.43Å; I873-S877 PolarHBondContact O-N 2.91Å; I873-S877 PolarHBondContact O-OG 3.32Å; I873-S877 VanDerWaalsContact O-OG 3.08Å; T874-S877 WeakPolarHBondContact CA-OG 3.25Å; T874-S877 PolarHBondContact O-N 3.4Å; T874-S877 PolarHBondContact O-OG 2.92Å; T874-S877 VanDerWaalsContact O-OG 3.11Å; S877-G879 PolarHBondContact O-N 2.84Å; S877-C880 WeakPolarHBondContact O-CB 3.22Å; S877-C880 PolarHBondContact O-N 3.19Å
878R72.5Confident80.2Confident92 Ų9239.3 Ų39.335%0.34722%0.215SC..THydrogen-bonded Turntrans-46-43166.8-79175.3157.8158.4-7.1111.9V430 T874 V876 C880 M898V430-R878 WeakPolarHBondContact CG1-O 3.44Å; V430-R878 HydrophobicContact CG2-CB 4.24Å; V430-R878 WeakPolarHBondContact CG2-O 3.3Å; T874-R878 PolarHBondContact O-N 3.44Å; V876-R878 VanDerWaalsContact C-N 3.26Å; V876-R878 PolarHBondContact O-N 2.89Å; R878-C880 VanDerWaalsContact C-N 3.28Å; R878-C880 PolarHBondContact O-N 3.42Å; R878-M898 HydrophobicContact CG-CB 3.98Å; R878-M898 HydrophobicContact CG-CE 3.91Å; R878-M898 HydrophobicContact CG-CG 4.4Å; R878-M898 HydrophobicContact CG-SD 3.56Å; R878-M898 VanDerWaalsContact CG-SD 3.56Å; R878-M898 PolarHBondContact NH2-O 3.06Å
879G73.9Confident79.8Confident2 Ų234.4 Ų34.42%0.02119%0.193CC..THydrogen-bonded Turntrans-71-7.9-179.600000117.6Q729 V876 S877Q729-G879 PolarHBondContact OE1-O 3.41Å; V876-G879 PolarHBondContact O-N 3.48Å; S877-G879 PolarHBondContact O-N 2.84Å
880C72Confident79.3Confident20 Ų2034.6 Ų34.614%0.13519%0.194CC..THydrogen-bonded Turntrans-96.5-55.6-171.7-58.20000111.9M726 S877 R878M726-C880 WeakPolarHBondContact CE-O 3.49Å; S877-C880 WeakPolarHBondContact O-CB 3.22Å; S877-C880 PolarHBondContact O-N 3.19Å; R878-C880 VanDerWaalsContact C-N 3.28Å; R878-C880 PolarHBondContact O-N 3.42Å
881S69.7Low79.3Confident74 Ų7437.8 Ų37.852%0.51721%0.205SC..  trans-174.3166.9-17967.80000109.5
882M73.4Confident79.6Confident42 Ų4236 Ų3621%0.20720%0.195CC..  trans-54.3147.2155.1-72.6171.763.100109.9Q423 E426 P884 V897Q423-M882 HydrophobicContact CB-SD 4.23Å; Q423-M882 HydrophobicContact CG-SD 4.41Å; E426-M882 HydrophobicContact CB-CG 4.19Å; E426-M882 HydrophobicContact CG-CG 3.9Å; M882-P884 WeakPolarHBondContact O-CD 3.33Å; M882-V897 HydrophobicContact CE-CG2 4.06Å
883I76.7Confident79.8Confident26 Ų2636.3 Ų36.313%0.13319%0.191CC..EExtended strand (participates in β ladder)trans-105.3103.8-170.3-60.2173.3000110.1L885 L896 L1161I883-L885 HydrophobicContact CG2-CD2 4.41Å; I883-L885 PolarHBondContact O-N 3.38Å; I883-L896 HydrophobicContact CB-CB 4.15Å; I883-L896 HydrophobicContact CB-CD2 4.48Å; I883-L896 HydrophobicContact CD1-CD2 4.21Å; I883-L896 HydrophobicContact CG2-CB 4.49Å; I883-L896 PolarHBondContact N-O 2.94Å; I883-L896 PolarHBondContact O-N 2.71Å; I883-L1161 HydrophobicContact CG2-CD1 4.15Å
884P84.1Confident80.3Confident78 Ų7836.2 Ų36.251%0.50619%0.19SC..EExtended strand (participates in β ladder)trans-71.9122.7171.227.8-32.7000110.4M882 W895M882-P884 WeakPolarHBondContact O-CD 3.33Å; P884-W895 HydrophobicContact CB-CE3 3.96Å; P884-W895 HydrophobicContact CB-CH2 4.25Å; P884-W895 HydrophobicContact CB-CZ3 3.68Å; P884-W895 HydrophobicContact CG-CZ3 4.19Å
885L83.9Confident81Confident5 Ų537.9 Ų37.93%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-81.2-39.2174.8-57.4178.5000111I883 Y894 L896 I903 L1154 T1157 L1161 L1165I883-L885 HydrophobicContact CG2-CD2 4.41Å; I883-L885 PolarHBondContact O-N 3.38Å; L885-Y894 WeakPolarHBondContact CB-O 3.12Å; L885-Y894 PolarHBondContact N-O 3.43Å; L885-L896 HydrophobicContact CD1-CB 4.34Å; L885-L896 HydrophobicContact CD2-CB 4.09Å; L885-L896 HydrophobicContact CG-CB 4.2Å; L885-I903 HydrophobicContact CD1-CG2 3.94Å; L885-L1154 HydrophobicContact CB-CD1 3.82Å; L885-T1157 WeakPolarHBondContact O-CB 3.34Å; L885-T1157 PolarHBondContact O-OG1 3.15Å; L885-L1161 HydrophobicContact CD2-CD1 3.57Å; L885-L1165 HydrophobicContact CD1-CD2 4.18Å; L885-L1165 HydrophobicContact CD2-CD2 4.3Å
886G87.7Confident81.3Confident24 Ų2432.6 Ų32.625%0.24717%0.169CC..EExtended strand (participates in β ladder)trans145.8-157.7177.400000113.7Y894G886-Y894 PolarHBondContact O-N 2.98Å
887Q89Confident81.2Confident66 Ų6631.8 Ų31.831%0.30817%0.165SC..EExtended strand (participates in β ladder)trans-133.7154.8-176.2-72.4171.6-13.500111.8R892 Q893 R1150Q887-R892 VanDerWaalsContact CA-O 3.31Å; Q887-R892 WeakPolarHBondContact CA-O 3.47Å; Q887-Q893 HydrophobicContact CG-CG 4.15Å; Q887-R1150 HydrophobicContact CB-CB 4.34Å; Q887-R1150 CarbonylContact O-C 3.45Å; Q887-R1150 WeakPolarHBondContact O-CB 3.24Å
888D85.3Confident81.1Confident0 Ų032.2 Ų32.20%017%0.166CC..  trans-104.6-173.317670.914.3000113.9L403 F890 Y891 R892 Y894 L1144 R1150 E1151 L1154L403-D888 HydrophobicContact CD1-CB 3.9Å; L403-D888 WeakPolarHBondContact CD1-OD2 3.35Å; D888-F890 PolarHBondContact O-N 3.44Å; D888-F890 WeakPolarHBondContact OD1-CA 3.36Å; D888-F890 WeakPolarHBondContact OD1-CB 3.38Å; D888-F890 PolarHBondContact OD1-N 2.97Å; D888-Y891 PolarHBondContact O-N 2.93Å; D888-Y891 VanDerWaalsContact O-N 3.14Å; D888-Y891 PolarHBondContact OD1-N 3.19Å; D888-R892 PolarHBondContact N-O 3.42Å; D888-R892 PolarHBondContact OD1-N 3.47Å; D888-R892 IonicContact OD1-NE 2.66Å; D888-R892 IonicContact OD2-CZ 2.85Å; D888-R892 VanDerWaalsContact OD2-CZ 3.27Å; D888-R892 IonicContact OD2-NE 3.1Å; D888-R892 PolarHBondContact OD2-NE 3.47Å; D888-R892 IonicContact OD2-NH2 3.85Å; D888-R892 PolarHBondContact OD2-NH2 3.14Å; D888-Y894 HydrophobicContact CB-CE2 3.95Å; D888-Y894 PolarHBondContact OD2-OH 3.13Å; D888-L1144 HydrophobicContact CB-CD2 4.45Å; D888-R1150 PolarHBondContact O-NE 3.42Å; D888-E1151 HydrophobicContact CB-CG 4.31Å; D888-L1154 HydrophobicContact CB-CD2 4.41Å
889R79.6Confident81.3Confident1 Ų128.9 Ų28.90%0.00416%0.156CC..THydrogen-bonded Turntrans-56.3-28.2174.956.1-174.4134.7-97.5-3.2114.4D394 L395 V401 L403 S1143 R1150 E1151D394-R889 HydrophobicContact CB-CB 3.78Å; L395-R889 HydrophobicContact CD2-CB 3.99Å; L395-R889 HydrophobicContact CD2-CG 4.4Å; L395-R889 HydrophobicContact CG-CB 4.37Å; V401-R889 PolarHBondContact O-NH2 3.49Å; L403-R889 HydrophobicContact CD1-CG 4.16Å; R889-S1143 PolarHBondContact NH2-O 3.11Å; R889-R1150 PolarHBondContact O-NH2 3.23Å; R889-R1150 VanDerWaalsContact O-NH2 3.12Å; R889-E1151 WeakPolarHBondContact CB-OE1 3.16Å; R889-E1151 WeakPolarHBondContact CD-OE1 3.44Å; R889-E1151 WeakPolarHBondContact CG-OE1 3.47Å; R889-E1151 IonicContact CZ-OE1 3.76Å; R889-E1151 IonicContact CZ-OE2 2.74Å; R889-E1151 PolarHBondContact N-OE1 2.9Å; R889-E1151 IonicContact NE-OE1 3.46Å; R889-E1151 PolarHBondContact NE-OE1 3.13Å; R889-E1151 IonicContact NH1-OE1 3.53Å; R889-E1151 PolarHBondContact NH1-OE1 3.17Å; R889-E1151 IonicContact NH1-OE2 3.62Å; R889-E1151 PolarHBondContact NH1-OE2 3.27Å; R889-E1151 IonicContact NH2-OE1 2.71Å
890F75.8Confident81.6Confident15 Ų1529.2 Ų29.27%0.06616%0.158CC..THydrogen-bonded Turntrans-93.96.8-179-53.6-53.8000113.4L395 L403 D888 R892 Q1025 L1026 L1029L395-F890 HydrophobicContact CD2-CE1 4.44Å; L403-F890 HydrophobicContact CD1-CD2 3.77Å; L403-F890 HydrophobicContact CD1-CE2 3.77Å; L403-F890 HydrophobicContact CG-CE2 4.4Å; D888-F890 PolarHBondContact O-N 3.44Å; D888-F890 WeakPolarHBondContact OD1-CA 3.36Å; D888-F890 WeakPolarHBondContact OD1-CB 3.38Å; D888-F890 PolarHBondContact OD1-N 2.97Å; F890-R892 HydrophobicContact CB-CG 4.05Å; F890-R892 PolarHBondContact O-N 3.47Å; F890-Q1025 HydrophobicContact CE2-CG 4.2Å; F890-Q1025 HydrophobicContact CZ-CG 4.24Å; F890-L1026 HydrophobicContact CD1-CD1 3.95Å; F890-L1026 HydrophobicContact CE1-CB 3.87Å; F890-L1026 HydrophobicContact CE1-CD1 3.63Å; F890-L1026 HydrophobicContact CE1-CG 4.34Å; F890-L1026 HydrophobicContact CZ-CB 4.39Å; F890-L1029 HydrophobicContact CD1-CD1 4.12Å; F890-L1029 HydrophobicContact CD2-CD1 3.57Å; F890-L1029 HydrophobicContact CE1-CD1 4.21Å; F890-L1029 HydrophobicContact CE2-CD1 3.66Å; F890-L1029 HydrophobicContact CG-CD1 3.82Å; F890-L1029 HydrophobicContact CZ-CD1 3.98Å
891Y77Confident81.9Confident84 Ų8429.6 Ų29.633%0.32916%0.16SC..  trans67.611.2-177.2-59.8-91.8000115.6D888 Q893 Y917 R1150D888-Y891 PolarHBondContact O-N 2.93Å; D888-Y891 VanDerWaalsContact O-N 3.14Å; D888-Y891 PolarHBondContact OD1-N 3.19Å; Y891-Q893 PolarHBondContact O-N 3.37Å; Y891-Y917 HydrophobicContact CD2-CE2 4.46Å; Y891-Y917 HydrophobicContact CE2-CE2 4.29Å; Y891-R1150 VanDerWaalsContact CE1-CZ 3.49Å; Y891-R1150 VanDerWaalsContact CZ-CZ 3.47Å; Y891-R1150 PolarHBondContact OH-NH1 3.34Å
892R86.3Confident82.5Confident14 Ų1426 Ų265%0.05314%0.136CC..PPolyproline II helixtrans-66.8132177.8-56-177.6-67.21678.6109.9F406 Q887 D888 F890 Y894 I905 E906 D907F406-R892 VanDerWaalsContact CE2-CZ 3.49Å; F406-R892 VanDerWaalsContact CE2-NH2 3.29Å; Q887-R892 VanDerWaalsContact CA-O 3.31Å; Q887-R892 WeakPolarHBondContact CA-O 3.47Å; D888-R892 PolarHBondContact N-O 3.42Å; D888-R892 PolarHBondContact OD1-N 3.47Å; D888-R892 IonicContact OD1-NE 2.66Å; D888-R892 IonicContact OD2-CZ 2.85Å; D888-R892 VanDerWaalsContact OD2-CZ 3.27Å; D888-R892 IonicContact OD2-NE 3.1Å; D888-R892 PolarHBondContact OD2-NE 3.47Å; D888-R892 IonicContact OD2-NH2 3.85Å; D888-R892 PolarHBondContact OD2-NH2 3.14Å; F890-R892 HydrophobicContact CB-CG 4.05Å; F890-R892 PolarHBondContact O-N 3.47Å; R892-Y894 HydrophobicContact CB-CE2 4.44Å; R892-Y894 WeakPolarHBondContact O-CD2 3.47Å; R892-I905 HydrophobicContact CB-CG2 3.72Å; R892-E906 CarbonylContact C-O 3.53Å; R892-E906 WeakPolarHBondContact CA-O 3.47Å; R892-D907 WeakPolarHBondContact CD-OD1 3.32Å; R892-D907 VanDerWaalsContact CD-OD2 3.23Å; R892-D907 WeakPolarHBondContact CD-OD2 3.43Å; R892-D907 HydrophobicContact CG-CB 4.42Å; R892-D907 WeakPolarHBondContact CG-OD1 3.46Å
893Q89.4Confident83.3Confident56 Ų5624.1 Ų24.126%0.26213%0.126SC..EExtended strand (participates in β ladder)trans-94.5127.9-174.7-48.2-156.143.100110.6Q887 Y891 I905 E906 C908Q887-Q893 HydrophobicContact CG-CG 4.15Å; Y891-Q893 PolarHBondContact O-N 3.37Å; Q893-I905 CarbonylContact O-C 3.59Å; Q893-I905 VanDerWaalsContact O-CA 3.32Å; Q893-I905 WeakPolarHBondContact O-CA 3.41Å; Q893-E906 HydrophobicContact CB-CB 4.31Å; Q893-E906 PolarHBondContact N-O 2.83Å; Q893-E906 PolarHBondContact O-N 3.02Å; Q893-C908 PolarHBondContact NE2-SG 2.89Å
894Y92.6Very high83.8Confident2 Ų222.9 Ų22.91%0.00812%0.12CC..EExtended strand (participates in β ladder)trans-99.7121.7-179.2-68.6-109.1000109.2F406 L885 G886 D888 R892 L904 I905 L1140 L1154F406-Y894 HydrophobicContact CE2-CE1 4.18Å; F406-Y894 WeakPolarHBondContact CE2-OH 3.17Å; F406-Y894 AromaticContact CZ-CE1 3.92Å; F406-Y894 HydrophobicContact CZ-CE1 3.92Å; F406-Y894 AromaticContact CZ-CZ 3.99Å; F406-Y894 VanDerWaalsContact CZ-OH 3.28Å; F406-Y894 WeakPolarHBondContact CZ-OH 3.25Å; L885-Y894 WeakPolarHBondContact CB-O 3.12Å; L885-Y894 PolarHBondContact N-O 3.43Å; G886-Y894 PolarHBondContact O-N 2.98Å; D888-Y894 HydrophobicContact CB-CE2 3.95Å; D888-Y894 PolarHBondContact OD2-OH 3.13Å; R892-Y894 HydrophobicContact CB-CE2 4.44Å; R892-Y894 WeakPolarHBondContact O-CD2 3.47Å; Y894-L904 CarbonylContact C-O 3.55Å; Y894-L904 WeakPolarHBondContact CA-O 3.44Å; Y894-I905 HydrophobicContact CD1-CG1 3.59Å; Y894-I905 HydrophobicContact CE1-CD1 4.44Å; Y894-I905 HydrophobicContact CE1-CG1 3.53Å; Y894-I905 HydrophobicContact CE1-CG2 4.47Å; Y894-I905 HydrophobicContact CE2-CG2 4.35Å; Y894-I905 HydrophobicContact CG-CG1 4.27Å; Y894-L1140 HydrophobicContact CE1-CD1 4.28Å; Y894-L1140 HydrophobicContact CE1-CD2 4.32Å; Y894-L1154 HydrophobicContact CD1-CD2 4.45Å; Y894-L1154 HydrophobicContact CD2-CD1 4.17Å; Y894-L1154 HydrophobicContact CD2-CD2 3.52Å; Y894-L1154 HydrophobicContact CE1-CD2 4.45Å; Y894-L1154 HydrophobicContact CE2-CD2 3.56Å; Y894-L1154 HydrophobicContact CG-CD1 3.99Å; Y894-L1154 HydrophobicContact CG-CD2 4.01Å
895W89.2Confident84.1Confident55 Ų5519.2 Ų19.221%0.20810%0.096CC..EExtended strand (participates in β ladder)trans-117.3138.3-177.8-63103.7000110.6P884 I903 L904 E906P884-W895 HydrophobicContact CB-CE3 3.96Å; P884-W895 HydrophobicContact CB-CH2 4.25Å; P884-W895 HydrophobicContact CB-CZ3 3.68Å; P884-W895 HydrophobicContact CG-CZ3 4.19Å; W895-I903 WeakPolarHBondContact O-CA 3.29Å; W895-L904 HydrophobicContact CB-CB 4.39Å; W895-L904 PolarHBondContact N-O 3.24Å; W895-L904 PolarHBondContact O-N 3.32Å; W895-E906 PolarHBondContact NE1-OE2 2.97Å
896L86.8Confident84.4Confident4 Ų420.5 Ų20.52%0.02110%0.102CC..EExtended strand (participates in β ladder)trans-104114.7167.5171.764.5000108.7I883 L885 I903 L1165 V1168I883-L896 HydrophobicContact CB-CB 4.15Å; I883-L896 HydrophobicContact CB-CD2 4.48Å; I883-L896 HydrophobicContact CD1-CD2 4.21Å; I883-L896 HydrophobicContact CG2-CB 4.49Å; I883-L896 PolarHBondContact N-O 2.94Å; I883-L896 PolarHBondContact O-N 2.71Å; L885-L896 HydrophobicContact CD1-CB 4.34Å; L885-L896 HydrophobicContact CD2-CB 4.09Å; L885-L896 HydrophobicContact CG-CB 4.2Å; L896-I903 HydrophobicContact CD1-CG1 4.49Å; L896-L1165 HydrophobicContact CD1-CD2 4.1Å; L896-L1165 HydrophobicContact CD2-CD2 4Å; L896-V1168 HydrophobicContact CD1-CB 4.38Å; L896-V1168 HydrophobicContact CD1-CG1 3.88Å; L896-V1168 HydrophobicContact CD1-CG2 4.18Å
897V80.6Confident84.2Confident0 Ų021.3 Ų21.30%010%0.1CC..EExtended strand (participates in β ladder)trans-104.7142.6176.2-175.30000108.2E426 M882 S899 V900 C902 L904E426-V897 VanDerWaalsContact OE2-CG1 3.25Å; E426-V897 WeakPolarHBondContact OE2-CG1 3.45Å; M882-V897 HydrophobicContact CE-CG2 4.06Å; V897-S899 WeakPolarHBondContact CG1-OG 3.33Å; V897-V900 CarbonylContact C-O 3.52Å; V897-V900 HydrophobicContact CG1-CB 4.19Å; V897-V900 VanDerWaalsContact O-O 3.04Å; V897-C902 PolarHBondContact N-O 3.26Å; V897-L904 HydrophobicContact CG2-CD1 3.75Å; V897-L904 HydrophobicContact CG2-CG 4.36Å
898M78.3Confident83.1Confident16 Ų1620.1 Ų20.18%0.07910%0.099CC..THydrogen-bonded Turntrans-121.7-14-173-67.1-16672.500114.7E426 T874 R878E426-M898 PolarHBondContact OE2-N 3.33Å; T874-M898 HydrophobicContact CG2-CE 4.09Å; R878-M898 HydrophobicContact CG-CB 3.98Å; R878-M898 HydrophobicContact CG-CE 3.91Å; R878-M898 HydrophobicContact CG-CG 4.4Å; R878-M898 HydrophobicContact CG-SD 3.56Å; R878-M898 VanDerWaalsContact CG-SD 3.56Å; R878-M898 PolarHBondContact NH2-O 3.06Å
899S77.1Confident81.6Confident22 Ų2226.5 Ų26.515%0.15412%0.123CC..THydrogen-bonded Turntrans-68.8-47.8161.251.50000110.9E426 H429 V897 P901E426-S899 WeakPolarHBondContact OE2-CB 3.44Å; E426-S899 PolarHBondContact OE2-N 3.33Å; E426-S899 PolarHBondContact OE2-OG 3.34Å; H429-S899 VanDerWaalsContact ND1-CB 3.26Å; H429-S899 WeakPolarHBondContact ND1-CB 3.28Å; V897-S899 WeakPolarHBondContact CG1-OG 3.33Å; S899-P901 WeakPolarHBondContact O-CD 3.26Å
900V79.6Confident80.1Confident9 Ų928.9 Ų28.96%0.05514%0.139CC..THydrogen-bonded Turntrans-105.598.8167.7-1750000107.2L422 L425 L461 V897 C902 I1176L422-V900 HydrophobicContact CD2-CG2 4.31Å; L425-V900 HydrophobicContact CD2-CG2 3.52Å; L461-V900 HydrophobicContact CB-CG2 4.32Å; V897-V900 CarbonylContact C-O 3.52Å; V897-V900 HydrophobicContact CG1-CB 4.19Å; V897-V900 VanDerWaalsContact O-O 3.04Å; V900-C902 VanDerWaalsContact C-N 3.33Å; V900-C902 PolarHBondContact O-N 2.96Å; V900-C902 PolarHBondContact O-SG 3.27Å; V900-I1176 HydrophobicContact CG1-CD1 3.15Å
901P78Confident78.5Confident28 Ų2832.9 Ų32.918%0.18217%0.165CC..THydrogen-bonded Turntrans-71.987.8-170.629-34.7000110.7S899 V1168 M1171 C1172S899-P901 WeakPolarHBondContact O-CD 3.26Å; P901-V1168 VanDerWaalsContact C-CG1 3.44Å; P901-V1168 HydrophobicContact CB-CG1 4.07Å; P901-M1171 HydrophobicContact CB-CB 4.18Å; P901-M1171 HydrophobicContact CG-CB 4.23Å; P901-M1171 VanDerWaalsContact CG-O 3.3Å; P901-M1171 WeakPolarHBondContact CG-O 3.21Å; P901-C1172 WeakPolarHBondContact O-CA 3.44Å; P901-C1172 PolarHBondContact O-SG 3.45Å
902C83.2Confident76.7Confident0 Ų034.1 Ų34.10%018%0.177CC..EExtended strand (participates in β ladder)trans-154.3169.3-179.264.50000111.3V897 V900 L904 I1045V897-C902 PolarHBondContact N-O 3.26Å; V900-C902 VanDerWaalsContact C-N 3.33Å; V900-C902 PolarHBondContact O-N 2.96Å; V900-C902 PolarHBondContact O-SG 3.27Å; C902-L904 VanDerWaalsContact SG-CD2 3.56Å; C902-I1045 HydrophobicContact CB-CD1 3.66Å; C902-I1045 HydrophobicContact CB-CG1 4.21Å
903I88.7Confident74.5Confident2 Ų241.4 Ų41.41%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-109.2112.2171.6-61.2163.9000107.1L885 W895 L896 L1046 I1137 L1165 L1169L885-I903 HydrophobicContact CD1-CG2 3.94Å; W895-I903 WeakPolarHBondContact O-CA 3.29Å; L896-I903 HydrophobicContact CD1-CG1 4.49Å; I903-L1046 HydrophobicContact CB-CB 4.14Å; I903-L1046 HydrophobicContact CD1-CD2 4.01Å; I903-L1046 HydrophobicContact CG2-CB 4.35Å; I903-L1046 PolarHBondContact O-N 2.88Å; I903-I1137 HydrophobicContact CD1-CD1 4.04Å; I903-L1165 HydrophobicContact CD1-CB 4.23Å; I903-L1165 HydrophobicContact CD1-CD2 3.88Å; I903-L1165 HydrophobicContact CD1-CG 4.45Å; I903-L1165 HydrophobicContact CG1-CD2 4.16Å; I903-L1169 HydrophobicContact CD1-CD1 4.31Å; I903-L1169 HydrophobicContact CD1-CD2 4.22Å; I903-L1169 HydrophobicContact CD1-CG 4.15Å
904L88.8Confident72Confident0 Ų041.7 Ų41.70%021%0.212CC..EExtended strand (participates in β ladder)trans-94.7147.9179.5-60.9179.5000110.6F409 L422 Y894 W895 V897 C902 W1043 S1044 I1045F409-L904 HydrophobicContact CD2-CD2 3.45Å; F409-L904 VanDerWaalsContact CD2-CD2 3.45Å; F409-L904 HydrophobicContact CE2-CD2 3.64Å; F409-L904 HydrophobicContact CG-CD2 4.36Å; L422-L904 HydrophobicContact CD1-CD1 3.37Å; L422-L904 HydrophobicContact CD2-CD1 4.45Å; Y894-L904 CarbonylContact C-O 3.55Å; Y894-L904 WeakPolarHBondContact CA-O 3.44Å; W895-L904 HydrophobicContact CB-CB 4.39Å; W895-L904 PolarHBondContact N-O 3.24Å; W895-L904 PolarHBondContact O-N 3.32Å; V897-L904 HydrophobicContact CG2-CD1 3.75Å; V897-L904 HydrophobicContact CG2-CG 4.36Å; C902-L904 VanDerWaalsContact SG-CD2 3.56Å; L904-W1043 HydrophobicContact CB-CE3 4.45Å; L904-W1043 HydrophobicContact CB-CZ3 4.47Å; L904-W1043 HydrophobicContact CD1-CE3 4.42Å; L904-W1043 HydrophobicContact CD1-CZ3 4.36Å; L904-S1044 CarbonylContact C-O 3.55Å; L904-S1044 WeakPolarHBondContact CA-O 3.25Å; L904-I1045 HydrophobicContact CD2-CB 4.22Å; L904-I1045 HydrophobicContact CD2-CG1 4.35Å
905I90.5Very high69.3Low0 Ų044.4 Ų44.40%023%0.23CC..EExtended strand (participates in β ladder)trans-126115.7176.8-55.591.9000107.5F406 R892 Q893 Y894 S1044 L1046F406-I905 HydrophobicContact CD1-CD1 4.29Å; F406-I905 HydrophobicContact CD2-CB 4.11Å; F406-I905 HydrophobicContact CD2-CD1 4.04Å; F406-I905 HydrophobicContact CD2-CG1 3.95Å; F406-I905 HydrophobicContact CD2-CG2 4Å; F406-I905 HydrophobicContact CE2-CB 4.32Å; F406-I905 HydrophobicContact CE2-CD1 4.28Å; F406-I905 HydrophobicContact CE2-CG1 3.88Å; F406-I905 HydrophobicContact CE2-CG2 3.95Å; F406-I905 HydrophobicContact CG-CD1 4.06Å; F406-I905 HydrophobicContact CG-CG1 4.48Å; F406-I905 HydrophobicContact CZ-CG1 4.38Å; R892-I905 HydrophobicContact CB-CG2 3.72Å; Q893-I905 CarbonylContact O-C 3.59Å; Q893-I905 VanDerWaalsContact O-CA 3.32Å; Q893-I905 WeakPolarHBondContact O-CA 3.41Å; Y894-I905 HydrophobicContact CD1-CG1 3.59Å; Y894-I905 HydrophobicContact CE1-CD1 4.44Å; Y894-I905 HydrophobicContact CE1-CG1 3.53Å; Y894-I905 HydrophobicContact CE1-CG2 4.47Å; Y894-I905 HydrophobicContact CE2-CG2 4.35Å; Y894-I905 HydrophobicContact CG-CG1 4.27Å; I905-S1044 WeakPolarHBondContact CB-OG 3.34Å; I905-S1044 PolarHBondContact N-O 2.86Å; I905-S1044 PolarHBondContact O-N 2.94Å; I905-S1044 PolarHBondContact O-OG 2.9Å; I905-L1046 HydrophobicContact CD1-CB 4.09Å
906E89.4Confident66.7Low33 Ų3349.4 Ų49.415%0.15425%0.25CS..EExtended strand (participates in β ladder)trans-100.7116.9179.8-176.3-162.916500109.9R892 Q893 W895 C908 W1043R892-E906 CarbonylContact C-O 3.53Å; R892-E906 WeakPolarHBondContact CA-O 3.47Å; Q893-E906 HydrophobicContact CB-CB 4.31Å; Q893-E906 PolarHBondContact N-O 2.83Å; Q893-E906 PolarHBondContact O-N 3.02Å; W895-E906 PolarHBondContact NE1-OE2 2.97Å; E906-C908 PolarHBondContact O-N 2.87Å; E906-C908 PolarHBondContact OE1-SG 3.49Å; E906-W1043 HydrophobicContact CB-CD2 4.5Å; E906-W1043 HydrophobicContact CB-CE3 4.19Å; E906-W1043 HydrophobicContact CB-CH2 3.98Å; E906-W1043 HydrophobicContact CB-CZ2 4.31Å; E906-W1043 HydrophobicContact CB-CZ3 3.93Å; E906-W1043 HydrophobicContact CG-CD2 4.39Å; E906-W1043 HydrophobicContact CG-CE3 4.5Å; E906-W1043 HydrophobicContact CG-CH2 3.83Å; E906-W1043 HydrophobicContact CG-CZ2 3.7Å; E906-W1043 HydrophobicContact CG-CZ3 4.24Å
907D83.6Confident64.5Low40 Ų4051.2 Ų51.221%0.21426%0.257CS..EExtended strand (participates in β ladder)trans-91.785.1174-68.923.6000107.9R892 V1042R892-D907 WeakPolarHBondContact CD-OD1 3.32Å; R892-D907 VanDerWaalsContact CD-OD2 3.23Å; R892-D907 WeakPolarHBondContact CD-OD2 3.43Å; R892-D907 HydrophobicContact CG-CB 4.42Å; R892-D907 WeakPolarHBondContact CG-OD1 3.46Å; D907-V1042 HydrophobicContact CB-CB 4.12Å; D907-V1042 WeakPolarHBondContact CB-O 3.1Å; D907-V1042 PolarHBondContact N-O 3.26Å; D907-V1042 PolarHBondContact O-N 3.16Å
908C64.7Low62.1Low42 Ų4254.8 Ų54.828%0.28428%0.276SS..  trans-64.2152.2178.2-50.90000111.8Q893 E906 C910Q893-C908 PolarHBondContact NE2-SG 2.89Å; E906-C908 PolarHBondContact O-N 2.87Å; E906-C908 PolarHBondContact OE1-SG 3.49Å; C908-C910 PolarHBondContact O-N 2.96Å; C908-C910 VanDerWaalsContact O-N 3.07Å
909R54.4Low60.1Low134 Ų13459.5 Ų59.551%0.50630%0.302SS..  trans-54.4115.5173.7-58.5-178.4-172-177.5-2.5110.6D416 V911 S1039 T1041D416-R909 IonicContact OD1-NH2 2.69Å; D416-R909 IonicContact OD2-CZ 2.7Å; D416-R909 IonicContact OD2-NH2 3.29Å; D416-R909 PolarHBondContact OD2-NH2 3.04Å; R909-V911 PolarHBondContact O-N 3.12Å; R909-S1039 VanDerWaalsContact CD-O 3.24Å; R909-S1039 WeakPolarHBondContact CD-O 3.38Å; R909-S1039 WeakPolarHBondContact CG-O 3.43Å; R909-S1039 PolarHBondContact NE-O 3.27Å; R909-T1041 HydrophobicContact CG-CG2 4.3Å
910C47.5Very low57.9Low50 Ų5061.1 Ų61.134%0.33832%0.317SS..  trans-66.3106.6162.4-70.50000107.2C908 D912 Y917C908-C910 PolarHBondContact O-N 2.96Å; C908-C910 VanDerWaalsContact O-N 3.07Å; C910-D912 PolarHBondContact O-N 2.93Å; C910-Y917 HydrophobicContact CB-CD1 4.35Å; C910-Y917 HydrophobicContact CB-CE1 4.4Å; C910-Y917 HydrophobicContact CB-CG 4.43Å; C910-Y917 VanDerWaalsContact SG-CZ 3.58Å
911V42.2Very low55.8Low100 Ų10061.8 Ų61.861%0.60632%0.321SS*.  trans-58.6116.7175.8-177.30000107.9R909 K913 N914R909-V911 PolarHBondContact O-N 3.12Å; V911-K913 HydrophobicContact CG1-CB 4.08Å; V911-K913 HydrophobicContact CG1-CG 4.34Å; V911-K913 PolarHBondContact O-N 3.28Å; V911-N914 WeakPolarHBondContact O-CB 3.38Å; V911-N914 PolarHBondContact O-N 3.41Å
912D40.9Very low53.7Low110 Ų11064 Ų6459%0.58833%0.33SS*.THydrogen-bonded Turntrans-60.1-11.3-173.5-60-58.6000114.3C910 N914C910-D912 PolarHBondContact O-N 2.93Å; D912-N914 VanDerWaalsContact C-N 3.25Å; D912-N914 PolarHBondContact O-N 3.45Å
913K38.5Very low51.3Low167 Ų16773.1 Ų73.173%0.72637%0.365SS*.THydrogen-bonded Turntrans-76.6-4.7170.7-57.2-175.6-178.21770113.7V911 P915V911-K913 HydrophobicContact CG1-CB 4.08Å; V911-K913 HydrophobicContact CG1-CG 4.34Å; V911-K913 PolarHBondContact O-N 3.28Å; K913-P915 VanDerWaalsContact O-CD 3.28Å; K913-P915 WeakPolarHBondContact O-CD 3.22Å
914N38Very low48.7Very low61 Ų6173.9 Ų73.933%0.32637%0.369SS..SBendtrans-79.5106.6170.5-168-3.4000108.9V911 D912 Y916 Y917V911-N914 WeakPolarHBondContact O-CB 3.38Å; V911-N914 PolarHBondContact O-N 3.41Å; D912-N914 VanDerWaalsContact C-N 3.25Å; D912-N914 PolarHBondContact O-N 3.45Å; N914-Y916 PolarHBondContact O-N 2.83Å; N914-Y916 WeakPolarHBondContact OD1-CD2 3.22Å; N914-Y917 PolarHBondContact O-N 2.85Å
915P35.2Very low46.2Very low60 Ų6076.6 Ų76.639%0.3938%0.381SS..THydrogen-bonded Turntrans-70.110.1-162.729.8-37.7000115.5K913 T921K913-P915 VanDerWaalsContact O-CD 3.28Å; K913-P915 WeakPolarHBondContact O-CD 3.22Å; P915-T921 HydrophobicContact CB-CG2 4.13Å; P915-T921 WeakPolarHBondContact O-CG2 3.28Å
916Y35.7Very low43.8Very low159 Ų15983.5 Ų83.562%0.62441%0.413SS*.THydrogen-bonded Turntrans-95.8-15.7178.2-69.8-85.6000114.4N914 I922N914-Y916 PolarHBondContact O-N 2.83Å; N914-Y916 WeakPolarHBondContact OD1-CD2 3.22Å; Y916-I922 HydrophobicContact CD1-CD1 4.38Å; Y916-I922 VanDerWaalsContact O-CD1 3.22Å; Y916-I922 WeakPolarHBondContact O-CD1 3.29Å
917Y38.9Very low41.6Very low43 Ų4383.5 Ų83.517%0.16942%0.416CS..SBendtrans-90-36.5-172.4-92.3-97.3000114.7Y891 C910 N914 N919Y891-Y917 HydrophobicContact CD2-CE2 4.46Å; Y891-Y917 HydrophobicContact CE2-CE2 4.29Å; C910-Y917 HydrophobicContact CB-CD1 4.35Å; C910-Y917 HydrophobicContact CB-CE1 4.4Å; C910-Y917 HydrophobicContact CB-CG 4.43Å; C910-Y917 VanDerWaalsContact SG-CZ 3.58Å; N914-Y917 PolarHBondContact O-N 2.85Å; Y917-N919 PolarHBondContact O-N 2.94Å
918N31.3Very low39.7Very low75 Ų7582.2 Ų82.240%0.40141%0.409SS..SBendtrans-72.6122178.5-76-20.3000111.6A920 T921N918-A920 PolarHBondContact O-N 3.42Å; N918-A920 VanDerWaalsContact O-N 3.08Å; N918-T921 WeakPolarHBondContact CB-OG1 3.43Å; N918-T921 PolarHBondContact O-N 2.82Å
919N35.5Very low38.6Very low114 Ų11488.5 Ų88.561%0.6143%0.428SS*.Hα-helixtrans-58.8-25.1-174-74.9-46.9000113.6Y917 R1030Y917-N919 PolarHBondContact O-N 2.94Å; N919-R1030 PolarHBondContact OD1-NH1 3.36Å
920A32.2Very low38.2Very low57 Ų5786 Ų8647%0.47143%0.428SS..Hα-helixtrans-74.8-38.3172.600000112.5N918 R923 N924N918-A920 PolarHBondContact O-N 3.42Å; N918-A920 VanDerWaalsContact O-N 3.08Å; A920-R923 PolarHBondContact O-N 3.37Å; A920-N924 WeakPolarHBondContact O-CB 3.43Å; A920-N924 VanDerWaalsContact O-CG 3.24Å; A920-N924 PolarHBondContact O-N 3.29Å; A920-N924 PolarHBondContact O-OD1 2.77Å
921T33.7Very low38.6Very low23 Ų2386 Ų8614%0.14142%0.421CS..Hα-helixtrans-70.8-38.7-166-46.30000113P915 N918 R923 N924 H925P915-T921 HydrophobicContact CB-CG2 4.13Å; P915-T921 WeakPolarHBondContact O-CG2 3.28Å; N918-T921 WeakPolarHBondContact CB-OG1 3.43Å; N918-T921 PolarHBondContact O-N 2.82Å; T921-R923 VanDerWaalsContact C-N 3.32Å; T921-R923 PolarHBondContact O-N 2.92Å; T921-N924 PolarHBondContact O-N 3.15Å; T921-H925 VanDerWaalsContact CG2-CE1 3.44Å; T921-H925 WeakPolarHBondContact CG2-CE1 3.34Å; T921-H925 VanDerWaalsContact O-CB 3.22Å; T921-H925 WeakPolarHBondContact O-CB 3.48Å; T921-H925 PolarHBondContact O-N 2.92Å
922I34.4Very low39.4Very low73 Ų7384.9 Ų84.937%0.37442%0.416SS..Hα-helixtrans-61.8-40.4174.7-67.7179.3000111.3Y916Y916-I922 HydrophobicContact CD1-CD1 4.38Å; Y916-I922 VanDerWaalsContact O-CD1 3.22Å; Y916-I922 WeakPolarHBondContact O-CD1 3.29Å
923R34.1Very low40.4Very low192 Ų19284.4 Ų84.473%0.72541%0.41SS*.Hα-helixtrans-76.2-33.4177.2-74.7-174.5179.7172.21.6113A920 T921A920-R923 PolarHBondContact O-N 3.37Å; T921-R923 VanDerWaalsContact C-N 3.32Å; T921-R923 PolarHBondContact O-N 2.92Å
924N33.3Very low41.5Very low18 Ų1876.7 Ų76.710%0.09638%0.377CS..Hα-helixtrans-71.6-54.3176-72.6-4.3000110.8A920 T921 Q926 V927 V928 E944 R951A920-N924 WeakPolarHBondContact O-CB 3.43Å; A920-N924 VanDerWaalsContact O-CG 3.24Å; A920-N924 PolarHBondContact O-N 3.29Å; A920-N924 PolarHBondContact O-OD1 2.77Å; T921-N924 PolarHBondContact O-N 3.15Å; N924-Q926 VanDerWaalsContact C-N 3.34Å; N924-Q926 PolarHBondContact O-N 3.48Å; N924-V927 PolarHBondContact O-N 3.3Å; N924-V927 VanDerWaalsContact O-N 3.1Å; N924-V928 VanDerWaalsContact O-CB 3.31Å; N924-V928 WeakPolarHBondContact O-CB 3.34Å; N924-V928 VanDerWaalsContact O-CG2 3.31Å; N924-V928 WeakPolarHBondContact O-CG2 3.24Å; N924-V928 PolarHBondContact O-N 3.22Å; N924-E944 PolarHBondContact ND2-OE1 2.96Å; N924-R951 VanDerWaalsContact OD1-CZ 3.27Å; N924-R951 PolarHBondContact OD1-NH1 3.48Å; N924-R951 PolarHBondContact OD1-NH2 3.07Å
925H35.3Very low42.9Very low57 Ų5774.4 Ų74.426%0.26437%0.366SS..Hα-helixtrans-63.1-33.2-172.2-78.7-163.1000113.8T921 V927 V928 Y929T921-H925 VanDerWaalsContact CG2-CE1 3.44Å; T921-H925 WeakPolarHBondContact CG2-CE1 3.34Å; T921-H925 VanDerWaalsContact O-CB 3.22Å; T921-H925 WeakPolarHBondContact O-CB 3.48Å; T921-H925 PolarHBondContact O-N 2.92Å; H925-V927 VanDerWaalsContact C-N 3.27Å; H925-V927 PolarHBondContact O-N 2.82Å; H925-V928 PolarHBondContact O-N 3.46Å; H925-Y929 HydrophobicContact CB-CD2 3.86Å; H925-Y929 HydrophobicContact CB-CE2 4.27Å; H925-Y929 AromaticContact CD2-CE2 3.83Å; H925-Y929 AromaticContact CE1-CE2 3.66Å; H925-Y929 AromaticContact CG-CD2 3.78Å; H925-Y929 AromaticContact CG-CE2 3.67Å; H925-Y929 AromaticContact ND1-CE2 3.56Å; H925-Y929 AromaticContact NE2-CE2 3.81Å; H925-Y929 WeakPolarHBondContact O-CB 3.18Å; H925-Y929 PolarHBondContact O-N 3Å
926Q41.2Very low44.5Very low145 Ų14579.2 Ų79.268%0.67838%0.381SS*.Hα-helixtrans-64.1-29.9176-81.6-169.5-1600113.6N924 T930N924-Q926 VanDerWaalsContact C-N 3.34Å; N924-Q926 PolarHBondContact O-N 3.48Å; Q926-T930 WeakPolarHBondContact O-CG2 3.14Å; Q926-T930 PolarHBondContact O-OG1 2.88Å
927V43.2Very low45.8Very low34 Ų3474.8 Ų74.821%0.20637%0.366CS..Hα-helixtrans-84.8-44.81731700000110.9N924 H925 T930 Y931 L1003N924-V927 PolarHBondContact O-N 3.3Å; N924-V927 VanDerWaalsContact O-N 3.1Å; H925-V927 VanDerWaalsContact C-N 3.27Å; H925-V927 PolarHBondContact O-N 2.82Å; V927-T930 PolarHBondContact O-OG1 2.74Å; V927-Y931 PolarHBondContact O-N 3.24Å; V927-L1003 HydrophobicContact CB-CD2 4.08Å; V927-L1003 HydrophobicContact CG1-CD2 3.6Å; V927-L1003 HydrophobicContact CG2-CD2 3.72Å
928V44.2Very low47Very low12 Ų1273.9 Ų73.97%0.07336%0.364CS..Hα-helixtrans-65.6-46.4-174.1158.40000113.1N924 H925 S943 E944N924-V928 VanDerWaalsContact O-CB 3.31Å; N924-V928 WeakPolarHBondContact O-CB 3.34Å; N924-V928 VanDerWaalsContact O-CG2 3.31Å; N924-V928 WeakPolarHBondContact O-CG2 3.24Å; N924-V928 PolarHBondContact O-N 3.22Å; H925-V928 PolarHBondContact O-N 3.46Å; V928-S943 WeakPolarHBondContact CG1-OG 3.43Å; V928-S943 WeakPolarHBondContact CG2-O 3.28Å; V928-E944 HydrophobicContact CG2-CG 4.47Å
929Y41.8Very low48.7Very low174 Ų17473.3 Ų73.368%0.68238%0.376SS*.THydrogen-bonded Turntrans-80.3-16.8-177.7-83.2-95.4000113.5H925H925-Y929 HydrophobicContact CB-CD2 3.86Å; H925-Y929 HydrophobicContact CB-CE2 4.27Å; H925-Y929 AromaticContact CD2-CE2 3.83Å; H925-Y929 AromaticContact CE1-CE2 3.66Å; H925-Y929 AromaticContact CG-CD2 3.78Å; H925-Y929 AromaticContact CG-CE2 3.67Å; H925-Y929 AromaticContact ND1-CE2 3.56Å; H925-Y929 AromaticContact NE2-CE2 3.81Å; H925-Y929 WeakPolarHBondContact O-CB 3.18Å; H925-Y929 PolarHBondContact O-N 3Å
930T44.8Very low50.4Low81 Ų8170.5 Ų70.550%0.49736%0.36SS..THydrogen-bonded Turntrans-84.2-28.417749.60000112.6Q926 V927Q926-T930 WeakPolarHBondContact O-CG2 3.14Å; Q926-T930 PolarHBondContact O-OG1 2.88Å; V927-T930 PolarHBondContact O-OG1 2.74Å
931Y57Low52.1Low51 Ų5175.8 Ų75.820%0.238%0.381CS..  trans-137.765-176.7-52.4-71.5000113.1V927 E933 L934 L995 Q999 T1002 L1003V927-Y931 PolarHBondContact O-N 3.24Å; Y931-E933 PolarHBondContact O-N 2.89Å; Y931-L934 VanDerWaalsContact O-CB 3.22Å; Y931-L934 WeakPolarHBondContact O-CB 3.46Å; Y931-L934 PolarHBondContact O-N 2.89Å; Y931-L934 VanDerWaalsContact O-N 3.08Å; Y931-L995 HydrophobicContact CD1-CD2 4.04Å; Y931-L995 HydrophobicContact CG-CD2 4.39Å; Y931-Q999 HydrophobicContact CE1-CB 4.1Å; Y931-Q999 HydrophobicContact CE1-CG 3.81Å; Y931-T1002 PolarHBondContact OH-OG1 3.08Å; Y931-L1003 HydrophobicContact CD2-CD1 4.15Å; Y931-L1003 HydrophobicContact CD2-CD2 3.88Å; Y931-L1003 HydrophobicContact CD2-CG 4.31Å; Y931-L1003 HydrophobicContact CE2-CD1 4.33Å; Y931-L1003 HydrophobicContact CE2-CD2 3.84Å; Y931-L1003 HydrophobicContact CE2-CG 4.1Å
932P58.8Low53.5Low77 Ų7776.6 Ų76.650%0.539%0.387SS..THydrogen-bonded Turntrans-57.8-34.8-179.923.1-33.9000113.3L934 A935P932-L934 PolarHBondContact O-N 3.24Å; P932-L934 VanDerWaalsContact O-N 3.15Å; P932-A935 PolarHBondContact O-N 2.61Å
933E61.5Low54.7Low99 Ų9975.1 Ų75.146%0.46338%0.383SS..Hα-helixtrans-63.7-15.2177.9-110.454.3-140.500114.8Y931 A935 K936 Q937Y931-E933 PolarHBondContact O-N 2.89Å; E933-A935 PolarHBondContact O-N 2.82Å; E933-K936 PolarHBondContact O-N 3.12Å; E933-K936 IonicContact OE1-NZ 3.86Å; E933-K936 PolarHBondContact OE1-NZ 3.21Å; E933-K936 VanDerWaalsContact OE1-NZ 3.08Å; E933-Q937 WeakPolarHBondContact O-CG 3.38Å; E933-Q937 PolarHBondContact O-N 3.22Å; E933-Q937 VanDerWaalsContact O-N 3.13Å
934L61.5Low55.8Low6 Ų669.8 Ų69.83%0.03137%0.367CS..Hα-helixtrans-56.2-40.5173.5177.576.5000111.4Y931 P932 K936 Q937 M938 A946 L950 L995Y931-L934 VanDerWaalsContact O-CB 3.22Å; Y931-L934 WeakPolarHBondContact O-CB 3.46Å; Y931-L934 PolarHBondContact O-N 2.89Å; Y931-L934 VanDerWaalsContact O-N 3.08Å; P932-L934 PolarHBondContact O-N 3.24Å; P932-L934 VanDerWaalsContact O-N 3.15Å; L934-K936 PolarHBondContact O-N 2.97Å; L934-Q937 PolarHBondContact O-N 2.83Å; L934-Q937 VanDerWaalsContact O-N 3.17Å; L934-M938 HydrophobicContact CD1-CG 4.16Å; L934-M938 HydrophobicContact CD1-SD 3.87Å; L934-M938 HydrophobicContact CD2-SD 4.27Å; L934-M938 HydrophobicContact CG-CG 4.36Å; L934-M938 HydrophobicContact CG-SD 3.91Å; L934-M938 WeakPolarHBondContact O-CG 3.36Å; L934-M938 PolarHBondContact O-N 3.28Å; L934-A946 HydrophobicContact CD2-CB 3.8Å; L934-A946 HydrophobicContact CG-CB 4Å; L934-L950 HydrophobicContact CD1-CD1 3.94Å; L934-L950 HydrophobicContact CD1-CG 4.4Å; L934-L950 HydrophobicContact CD2-CD1 3.46Å; L934-L950 VanDerWaalsContact CD2-CD1 3.46Å; L934-L950 HydrophobicContact CD2-CG 4.15Å; L934-L950 HydrophobicContact CG-CD1 4.35Å; L934-L995 HydrophobicContact CD1-CD1 3.69Å
935A67Low57.4Low12 Ų1271.1 Ų71.110%0.09937%0.374CS..Hα-helixtrans-60.1-46.3-178.800000111.9P932 E933 Q937 M938 G939 L940 A946P932-A935 PolarHBondContact O-N 2.61Å; E933-A935 PolarHBondContact O-N 2.82Å; A935-Q937 PolarHBondContact O-N 3.02Å; A935-M938 PolarHBondContact O-N 3.17Å; A935-G939 PolarHBondContact O-N 3.13Å; A935-G939 VanDerWaalsContact O-N 3.09Å; A935-L940 PolarHBondContact O-N 3.17Å; A935-A946 HydrophobicContact CB-CB 4.27Å
936K68.8Low59Low161 Ų16168.4 Ų68.470%0.736%0.361SS*.Hα-helixtrans-61.2-41.5174.1-87.6179.1-176.8161.20112.5E933 L934 G939E933-K936 PolarHBondContact O-N 3.12Å; E933-K936 IonicContact OE1-NZ 3.86Å; E933-K936 PolarHBondContact OE1-NZ 3.21Å; E933-K936 VanDerWaalsContact OE1-NZ 3.08Å; L934-K936 PolarHBondContact O-N 2.97Å; K936-G939 PolarHBondContact O-N 3.14Å
937Q64.2Low60Low67 Ų6761.7 Ų61.731%0.31333%0.331SS..Hα-helixtrans-68.4-34.1-179.1-70.9179.84.700112.6E933 L934 A935 G939 G993E933-Q937 WeakPolarHBondContact O-CG 3.38Å; E933-Q937 PolarHBondContact O-N 3.22Å; E933-Q937 VanDerWaalsContact O-N 3.13Å; L934-Q937 PolarHBondContact O-N 2.83Å; L934-Q937 VanDerWaalsContact O-N 3.17Å; A935-Q937 PolarHBondContact O-N 3.02Å; Q937-G939 VanDerWaalsContact C-N 3.34Å; Q937-G993 PolarHBondContact NE2-O 3.39Å
938M63.3Low61.1Low24 Ų2465.6 Ų65.612%0.11834%0.342CS..Hα-helixtrans-84.3-4.8175.2-61.5-176.496.800113.5L934 A935 L940 A946 H949 L950 I953 L976L934-M938 HydrophobicContact CD1-CG 4.16Å; L934-M938 HydrophobicContact CD1-SD 3.87Å; L934-M938 HydrophobicContact CD2-SD 4.27Å; L934-M938 HydrophobicContact CG-CG 4.36Å; L934-M938 HydrophobicContact CG-SD 3.91Å; L934-M938 WeakPolarHBondContact O-CG 3.36Å; L934-M938 PolarHBondContact O-N 3.28Å; A935-M938 PolarHBondContact O-N 3.17Å; M938-L940 VanDerWaalsContact C-N 3.34Å; M938-L940 HydrophobicContact CB-CD1 3.78Å; M938-L940 HydrophobicContact CB-CG 4Å; M938-L940 HydrophobicContact SD-CD1 4.33Å; M938-A946 HydrophobicContact SD-CB 3.93Å; M938-H949 HydrophobicContact CE-CB 4.17Å; M938-L950 HydrophobicContact CE-CD2 4.19Å; M938-L950 HydrophobicContact CE-CG 4.12Å; M938-L950 HydrophobicContact SD-CG 4.16Å; M938-I953 HydrophobicContact CE-CD1 3.88Å; M938-L976 HydrophobicContact CE-CD2 3.74Å; M938-L976 HydrophobicContact CG-CD2 3.82Å; M938-L976 HydrophobicContact SD-CD2 4.13Å
939G67.2Low62.4Low63 Ų6369 Ų6965%0.64936%0.357SS*.THydrogen-bonded Turntrans69.627.8-176.600000114A935 K936 Q937A935-G939 PolarHBondContact O-N 3.13Å; A935-G939 VanDerWaalsContact O-N 3.09Å; K936-G939 PolarHBondContact O-N 3.14Å; Q937-G939 VanDerWaalsContact C-N 3.34Å
940L70.5Confident63.7Low54 Ų5461 Ų6128%0.28333%0.326SS..  trans-106.2144.1-174.1-65.3171.8000112A935 M938 S942 D945 A946 H949A935-L940 PolarHBondContact O-N 3.17Å; M938-L940 VanDerWaalsContact C-N 3.34Å; M938-L940 HydrophobicContact CB-CD1 3.78Å; M938-L940 HydrophobicContact CB-CG 4Å; M938-L940 HydrophobicContact SD-CD1 4.33Å; L940-S942 VanDerWaalsContact C-N 3.32Å; L940-S942 PolarHBondContact O-N 2.95Å; L940-D945 HydrophobicContact CB-CB 4.36Å; L940-D945 HydrophobicContact CD1-CB 4.44Å; L940-A946 HydrophobicContact CD1-CB 4.04Å; L940-H949 HydrophobicContact CD1-CB 3.96Å
941N68.6Low64.6Low169 Ų16961.3 Ų61.390%0.90432%0.318SS*.SBendtrans-70.9-25.9-172-62.7-17.1000113.5
942S63.1Low65.4Low40 Ų4063.6 Ų63.628%0.2833%0.331SS..SBendtrans-133.5155.6177.483.80000112L940 E944 D945 A946L940-S942 VanDerWaalsContact C-N 3.32Å; L940-S942 PolarHBondContact O-N 2.95Å; S942-E944 VanDerWaalsContact C-N 3.33Å; S942-E944 PolarHBondContact OG-N 3.49Å; S942-D945 WeakPolarHBondContact CB-OD2 3.38Å; S942-D945 PolarHBondContact O-N 3.41Å; S942-D945 PolarHBondContact OG-N 3.35Å; S942-D945 PolarHBondContact OG-OD2 3.19Å; S942-A946 PolarHBondContact O-N 3.21Å
943S59Low66.1Low41 Ų4160.8 Ų60.829%0.28731%0.311SS..Hα-helixtrans-69.7-28.9172.748.70000112.6V928 A946 G947V928-S943 WeakPolarHBondContact CG1-OG 3.43Å; V928-S943 WeakPolarHBondContact CG2-O 3.28Å; S943-A946 PolarHBondContact O-N 2.81Å; S943-G947 PolarHBondContact O-N 3.28Å
944E58.5Low66.5Low80 Ų8056.7 Ų56.737%0.37429%0.292SS..Hα-helixtrans-65.3-39.7172.3-75.2-153.9107.300112.3N924 V928 S942 A946 G947 R948N924-E944 PolarHBondContact ND2-OE1 2.96Å; V928-E944 HydrophobicContact CG2-CG 4.47Å; S942-E944 VanDerWaalsContact C-N 3.33Å; S942-E944 PolarHBondContact OG-N 3.49Å; E944-A946 VanDerWaalsContact C-N 3.34Å; E944-G947 PolarHBondContact O-N 3.02Å; E944-R948 PolarHBondContact O-N 2.85Å
945D66.8Low66.9Low47 Ų4760.3 Ų60.325%0.25131%0.311SS..Hα-helixtrans-63.2-42.4174.2-61.3-45.1000110.9L940 S942 G947 R948 H949L940-D945 HydrophobicContact CB-CB 4.36Å; L940-D945 HydrophobicContact CD1-CB 4.44Å; S942-D945 WeakPolarHBondContact CB-OD2 3.38Å; S942-D945 PolarHBondContact O-N 3.41Å; S942-D945 PolarHBondContact OG-N 3.35Å; S942-D945 PolarHBondContact OG-OD2 3.19Å; D945-G947 VanDerWaalsContact C-N 3.35Å; D945-G947 PolarHBondContact O-N 2.76Å; D945-R948 WeakPolarHBondContact O-CB 3.21Å; D945-R948 PolarHBondContact O-N 3.1Å; D945-R948 VanDerWaalsContact O-N 3.13Å; D945-R948 IonicContact OD1-CZ 3.96Å; D945-R948 IonicContact OD1-NH1 2.86Å; D945-R948 PolarHBondContact OD1-NH1 3.42Å; D945-R948 IonicContact OD1-NH2 2.8Å; D945-R948 PolarHBondContact OD1-NH2 3.29Å; D945-H949 WeakPolarHBondContact O-CB 3.48Å; D945-H949 PolarHBondContact O-N 3.14Å
946A67.4Low67.2Low0 Ų062.2 Ų62.20%032%0.324CS..Hα-helixtrans-62.7-39.2174.700000112.8L934 A935 M938 L940 S942 S943 E944 R948 H949 L950L934-A946 HydrophobicContact CD2-CB 3.8Å; L934-A946 HydrophobicContact CG-CB 4Å; A935-A946 HydrophobicContact CB-CB 4.27Å; M938-A946 HydrophobicContact SD-CB 3.93Å; L940-A946 HydrophobicContact CD1-CB 4.04Å; S942-A946 PolarHBondContact O-N 3.21Å; S943-A946 PolarHBondContact O-N 2.81Å; E944-A946 VanDerWaalsContact C-N 3.34Å; A946-R948 VanDerWaalsContact C-N 3.34Å; A946-H949 PolarHBondContact O-N 3.34Å; A946-L950 WeakPolarHBondContact O-CB 3.36Å; A946-L950 PolarHBondContact O-N 3.33Å
947G63Low67.4Low4 Ų454.9 Ų54.94%0.04129%0.293CS..Hα-helixtrans-66.9-31.3172.400000113.7S943 E944 D945 R951S943-G947 PolarHBondContact O-N 3.28Å; E944-G947 PolarHBondContact O-N 3.02Å; D945-G947 VanDerWaalsContact C-N 3.35Å; D945-G947 PolarHBondContact O-N 2.76Å; G947-R951 VanDerWaalsContact O-CZ 3.28Å; G947-R951 PolarHBondContact O-NE 3.44Å; G947-R951 VanDerWaalsContact O-NE 3.14Å; G947-R951 PolarHBondContact O-NH2 3.47Å
948R65.5Low67.5Low115 Ų11555.7 Ų55.743%0.43430%0.295SS..Hα-helixtrans-70.4-49172.7-155.9-175.6-49.1103.46.6110.6E944 D945 A946 L950 R951 E952E944-R948 PolarHBondContact O-N 2.85Å; D945-R948 WeakPolarHBondContact O-CB 3.21Å; D945-R948 PolarHBondContact O-N 3.1Å; D945-R948 VanDerWaalsContact O-N 3.13Å; D945-R948 IonicContact OD1-CZ 3.96Å; D945-R948 IonicContact OD1-NH1 2.86Å; D945-R948 PolarHBondContact OD1-NH1 3.42Å; D945-R948 IonicContact OD1-NH2 2.8Å; D945-R948 PolarHBondContact OD1-NH2 3.29Å; A946-R948 VanDerWaalsContact C-N 3.34Å; R948-L950 PolarHBondContact O-N 3.44Å; R948-R951 WeakPolarHBondContact O-CB 3.46Å; R948-R951 PolarHBondContact O-N 2.74Å; R948-E952 PolarHBondContact O-N 2.86Å
949H72.5Confident67.4Low83 Ų8361 Ų6138%0.38432%0.324SS..Hα-helixtrans-67.5-38.1-176.3-150.451.2000112.9M938 L940 D945 A946 R951 E952 I953M938-H949 HydrophobicContact CE-CB 4.17Å; L940-H949 HydrophobicContact CD1-CB 3.96Å; D945-H949 WeakPolarHBondContact O-CB 3.48Å; D945-H949 PolarHBondContact O-N 3.14Å; A946-H949 PolarHBondContact O-N 3.34Å; H949-R951 PolarHBondContact O-N 2.7Å; H949-E952 IonicContact CE1-OE2 3.97Å; H949-E952 IonicContact CG-OE2 3.97Å; H949-E952 IonicContact ND1-OE2 3.38Å; H949-E952 PolarHBondContact ND1-OE2 2.8Å; H949-E952 PolarHBondContact O-N 2.82Å; H949-I953 WeakPolarHBondContact O-CG1 3.3Å; H949-I953 PolarHBondContact O-N 3.05Å
950L68.6Low66.9Low7 Ų764 Ų644%0.03733%0.325CS..Hα-helixtrans-58-36.3169.9-91.7-174.7000112.7L934 M938 A946 R948 I954 V972 L976 L1003L934-L950 HydrophobicContact CD1-CD1 3.94Å; L934-L950 HydrophobicContact CD1-CG 4.4Å; L934-L950 HydrophobicContact CD2-CD1 3.46Å; L934-L950 VanDerWaalsContact CD2-CD1 3.46Å; L934-L950 HydrophobicContact CD2-CG 4.15Å; L934-L950 HydrophobicContact CG-CD1 4.35Å; M938-L950 HydrophobicContact CE-CD2 4.19Å; M938-L950 HydrophobicContact CE-CG 4.12Å; M938-L950 HydrophobicContact SD-CG 4.16Å; A946-L950 WeakPolarHBondContact O-CB 3.36Å; A946-L950 PolarHBondContact O-N 3.33Å; R948-L950 PolarHBondContact O-N 3.44Å; L950-I954 WeakPolarHBondContact O-CB 3.14Å; L950-I954 WeakPolarHBondContact O-CD1 3.37Å; L950-I954 WeakPolarHBondContact O-CG1 3.31Å; L950-I954 PolarHBondContact O-N 2.68Å; L950-V972 HydrophobicContact CD2-CG1 3.87Å; L950-L976 HydrophobicContact CD2-CD2 4.32Å; L950-L1003 HydrophobicContact CD1-CD1 4.02Å
951R64.8Low66.3Low88 Ų8866.5 Ų66.533%0.33234%0.335SS..Hα-helixtrans-74.3-36.7176.9-75.4180-65.3-127.41.3112.5N924 G947 R948 H949 I953 I954 N955N924-R951 VanDerWaalsContact OD1-CZ 3.27Å; N924-R951 PolarHBondContact OD1-NH1 3.48Å; N924-R951 PolarHBondContact OD1-NH2 3.07Å; G947-R951 VanDerWaalsContact O-CZ 3.28Å; G947-R951 PolarHBondContact O-NE 3.44Å; G947-R951 VanDerWaalsContact O-NE 3.14Å; G947-R951 PolarHBondContact O-NH2 3.47Å; R948-R951 WeakPolarHBondContact O-CB 3.46Å; R948-R951 PolarHBondContact O-N 2.74Å; H949-R951 PolarHBondContact O-N 2.7Å; R951-I953 VanDerWaalsContact C-N 3.31Å; R951-I953 PolarHBondContact O-N 3.37Å; R951-I954 PolarHBondContact O-N 2.86Å; R951-N955 VanDerWaalsContact O-CB 3.31Å; R951-N955 WeakPolarHBondContact O-CB 3.33Å; R951-N955 PolarHBondContact O-N 3.47Å; R951-N955 PolarHBondContact O-OD1 3.04Å
952E72.6Confident66.2Low99 Ų9967.2 Ų67.246%0.46334%0.338SS..Hα-helixtrans-58.8-44.9172-70.8164.5176.600110.7R948 H949 N955 S956R948-E952 PolarHBondContact O-N 2.86Å; H949-E952 IonicContact CE1-OE2 3.97Å; H949-E952 IonicContact CG-OE2 3.97Å; H949-E952 IonicContact ND1-OE2 3.38Å; H949-E952 PolarHBondContact ND1-OE2 2.8Å; H949-E952 PolarHBondContact O-N 2.82Å; E952-N955 PolarHBondContact O-N 2.85Å; E952-S956 WeakPolarHBondContact O-CB 3.47Å; E952-S956 PolarHBondContact O-N 2.83Å
953I74.5Confident66.6Low18 Ų1866.7 Ų66.79%0.09233%0.332CS..Hα-helixtrans-61.8-49.6173.7-65.5164.5000111.2M938 H949 R951 N955 S956 I957 V972 Y975M938-I953 HydrophobicContact CE-CD1 3.88Å; H949-I953 WeakPolarHBondContact O-CG1 3.3Å; H949-I953 PolarHBondContact O-N 3.05Å; R951-I953 VanDerWaalsContact C-N 3.31Å; R951-I953 PolarHBondContact O-N 3.37Å; I953-N955 VanDerWaalsContact C-N 3.31Å; I953-N955 PolarHBondContact O-N 3.48Å; I953-S956 PolarHBondContact O-N 2.72Å; I953-I957 HydrophobicContact CG2-CD1 3.69Å; I953-I957 WeakPolarHBondContact O-CB 3.06Å; I953-I957 WeakPolarHBondContact O-CD1 3.49Å; I953-I957 VanDerWaalsContact O-CG1 3.25Å; I953-I957 WeakPolarHBondContact O-CG1 3.49Å; I953-I957 PolarHBondContact O-N 3.01Å; I953-V972 HydrophobicContact CG2-CG2 4.24Å; I953-Y975 HydrophobicContact CG2-CD2 4.29Å; I953-Y975 HydrophobicContact CG2-CG 3.91Å
954I69Low67.2Low12 Ų1270 Ų706%0.06235%0.346CS..Hα-helixtrans-61.2-38.8179.5-72.3161.6000112L950 R951 K958 V972 V1004L950-I954 WeakPolarHBondContact O-CB 3.14Å; L950-I954 WeakPolarHBondContact O-CD1 3.37Å; L950-I954 WeakPolarHBondContact O-CG1 3.31Å; L950-I954 PolarHBondContact O-N 2.68Å; R951-I954 PolarHBondContact O-N 2.86Å; I954-K958 HydrophobicContact CG2-CD 4.05Å; I954-K958 WeakPolarHBondContact O-CB 3.4Å; I954-K958 VanDerWaalsContact O-CG 3.3Å; I954-K958 WeakPolarHBondContact O-CG 3.45Å; I954-K958 PolarHBondContact O-N 3Å; I954-K958 VanDerWaalsContact O-N 3.08Å; I954-V972 HydrophobicContact CG1-CG2 3.62Å; I954-V1004 HydrophobicContact CD1-CG2 4.24Å; I954-V1004 HydrophobicContact CG1-CG2 4.45Å
955N70.1Confident67.2Low82 Ų8269.1 Ų69.144%0.43934%0.34SS..Hα-helixtrans-71.7-47.6178.2-68.6-7.1000110.5R951 E952 I953 I957 K958 D959R951-N955 VanDerWaalsContact O-CB 3.31Å; R951-N955 WeakPolarHBondContact O-CB 3.33Å; R951-N955 PolarHBondContact O-N 3.47Å; R951-N955 PolarHBondContact O-OD1 3.04Å; E952-N955 PolarHBondContact O-N 2.85Å; I953-N955 VanDerWaalsContact C-N 3.31Å; I953-N955 PolarHBondContact O-N 3.48Å; N955-I957 PolarHBondContact O-N 3.23Å; N955-I957 VanDerWaalsContact O-N 3.15Å; N955-K958 PolarHBondContact O-N 3.09Å; N955-D959 WeakPolarHBondContact O-CB 3.44Å; N955-D959 PolarHBondContact O-N 3.36Å
956S74.6Confident67.4Low53 Ų5370 Ų7037%0.37134%0.342SS..Hα-helixtrans-52.9-36.6173.1174.50000112.9E952 I953 N960E952-S956 WeakPolarHBondContact O-CB 3.47Å; E952-S956 PolarHBondContact O-N 2.83Å; I953-S956 PolarHBondContact O-N 2.72Å; S956-N960 PolarHBondContact O-ND2 3.3Å
957I72.8Confident67.9Low6 Ų673.7 Ų73.73%0.03136%0.36CS..Hα-helixtrans-72.4-41.9174.9-69161.9000111.8I953 N955 L963 I968 R971 V972 Y975I953-I957 HydrophobicContact CG2-CD1 3.69Å; I953-I957 WeakPolarHBondContact O-CB 3.06Å; I953-I957 WeakPolarHBondContact O-CD1 3.49Å; I953-I957 VanDerWaalsContact O-CG1 3.25Å; I953-I957 WeakPolarHBondContact O-CG1 3.49Å; I953-I957 PolarHBondContact O-N 3.01Å; N955-I957 PolarHBondContact O-N 3.23Å; N955-I957 VanDerWaalsContact O-N 3.15Å; I957-L963 HydrophobicContact CG2-CD1 3.43Å; I957-L963 VanDerWaalsContact CG2-CD1 3.43Å; I957-L963 WeakPolarHBondContact O-CD1 3.49Å; I957-I968 HydrophobicContact CG2-CG1 4.38Å; I957-I968 HydrophobicContact CG2-CG2 4.09Å; I957-R971 HydrophobicContact CD1-CB 3.76Å; I957-R971 HydrophobicContact CG1-CB 4.21Å; I957-R971 HydrophobicContact CG2-CB 4.09Å; I957-V972 HydrophobicContact CD1-CB 4.48Å; I957-V972 HydrophobicContact CD1-CG2 3.6Å; I957-Y975 HydrophobicContact CD1-CD2 3.92Å; I957-Y975 HydrophobicContact CD1-CE2 4.33Å; I957-Y975 HydrophobicContact CG1-CD2 4.2Å; I957-Y975 HydrophobicContact CG1-CE2 4.08Å
958K65Low68.3Low85 Ų8573.6 Ų73.637%0.3736%0.358SS..Hα-helixtrans-72.1-35.9-178.8-77.7172.6-178.2168.20114I954 N955 N960 E961 I968I954-K958 HydrophobicContact CG2-CD 4.05Å; I954-K958 WeakPolarHBondContact O-CB 3.4Å; I954-K958 VanDerWaalsContact O-CG 3.3Å; I954-K958 WeakPolarHBondContact O-CG 3.45Å; I954-K958 PolarHBondContact O-N 3Å; I954-K958 VanDerWaalsContact O-N 3.08Å; N955-K958 PolarHBondContact O-N 3.09Å; K958-N960 PolarHBondContact O-N 3.45Å; K958-E961 PolarHBondContact O-N 3.06Å; K958-I968 HydrophobicContact CG-CD1 4.17Å
959D60.7Low68.6Low136 Ų13668.2 Ų68.273%0.72734%0.338SS*.THydrogen-bonded Turntrans-68.2-19.1-177.3-65.1-22.4000111.6N955N955-D959 WeakPolarHBondContact O-CB 3.44Å; N955-D959 PolarHBondContact O-N 3.36Å
960N57.8Low68.7Low124 Ų12469.8 Ų69.866%0.66334%0.344SS*.THydrogen-bonded Turntrans-91.3-28.2179.1-77.3-64000114.6S956 K958S956-N960 PolarHBondContact O-ND2 3.3Å; K958-N960 PolarHBondContact O-N 3.45Å
961E57.2Low69.2Low107 Ų10773 Ų7350%0.536%0.356SS..  trans-160.5152-175.7-102.5158.6-170.200113.2K958 L963 R971K958-E961 PolarHBondContact O-N 3.06Å; E961-L963 VanDerWaalsContact C-N 3.27Å; E961-L963 HydrophobicContact CB-CD1 4.05Å; E961-L963 HydrophobicContact CB-CD2 3.83Å; E961-L963 HydrophobicContact CB-CG 3.68Å; E961-L963 WeakPolarHBondContact O-CG 3.3Å; E961-L963 PolarHBondContact O-N 2.77Å; E961-R971 IonicContact OE2-CZ 3.1Å; E961-R971 VanDerWaalsContact OE2-CZ 3.32Å; E961-R971 IonicContact OE2-NH1 2.65Å; E961-R971 PolarHBondContact OE2-NH1 3.07Å; E961-R971 IonicContact OE2-NH2 3.88Å; E961-R971 PolarHBondContact OE2-NH2 3.29Å
962L66.7Low69.6Low184 Ų18468.9 Ų68.996%0.96334%0.34SS*.  trans-82.269.8179.5-146.2157.9000111
963L71.5Confident69.7Low29 Ų2965.5 Ų65.515%0.15233%0.329CS..  trans-85.2143.9-166.5-61.4159.5000114I957 E961 E967 I968 R971I957-L963 HydrophobicContact CG2-CD1 3.43Å; I957-L963 VanDerWaalsContact CG2-CD1 3.43Å; I957-L963 WeakPolarHBondContact O-CD1 3.49Å; E961-L963 VanDerWaalsContact C-N 3.27Å; E961-L963 HydrophobicContact CB-CD1 4.05Å; E961-L963 HydrophobicContact CB-CD2 3.83Å; E961-L963 HydrophobicContact CB-CG 3.68Å; E961-L963 WeakPolarHBondContact O-CG 3.3Å; E961-L963 PolarHBondContact O-N 2.77Å; L963-E967 HydrophobicContact CB-CG 4.4Å; L963-E967 HydrophobicContact CD2-CG 3.68Å; L963-E967 HydrophobicContact CG-CG 4.5Å; L963-I968 HydrophobicContact CB-CD1 4.17Å; L963-I968 HydrophobicContact CB-CG1 3.56Å; L963-I968 HydrophobicContact CD1-CG1 4.31Å; L963-R971 VanDerWaalsContact CD2-CZ 3.48Å
964D72.2Confident69.7Low110 Ų11067.8 Ų67.859%0.58835%0.351SS*.  trans-66.9155.3169.5-171.927.7000111.4E966 E967 I968D964-E966 VanDerWaalsContact C-N 3.33Å; D964-E966 PolarHBondContact O-N 2.96Å; D964-E967 PolarHBondContact O-N 3.13Å; D964-I968 WeakPolarHBondContact O-CG1 3.49Å; D964-I968 PolarHBondContact O-N 2.98Å
965R58.6Low69.9Low62 Ų6274 Ų7423%0.23437%0.374CS..Hα-helixtrans-59.7-42.6-175.4-176.9-166.678.6152.14.8112.4E967 I968 T969 K1005 E1007R965-E967 VanDerWaalsContact C-N 3.34Å; R965-I968 PolarHBondContact O-N 3.42Å; R965-T969 WeakPolarHBondContact O-CB 3.43Å; R965-T969 PolarHBondContact O-N 3.44Å; R965-T969 PolarHBondContact O-OG1 3.28Å; R965-K1005 HydrophobicContact CB-CD 4.37Å; R965-K1005 HydrophobicContact CG-CB 4.48Å; R965-K1005 HydrophobicContact CG-CD 4.16Å; R965-E1007 WeakPolarHBondContact CD-OE2 3.32Å; R965-E1007 IonicContact CZ-OE2 3.23Å; R965-E1007 IonicContact NE-OE2 2.77Å; R965-E1007 IonicContact NH1-OE2 3.73Å; R965-E1007 PolarHBondContact NH1-OE2 2.9Å
966E70.2Confident69.7Low65 Ų6571 Ų7130%0.30436%0.359SS..Hα-helixtrans-58.5-47.4176.6-88.749.9-149.100110.2D964 T969 F970 R1001D964-E966 VanDerWaalsContact C-N 3.33Å; D964-E966 PolarHBondContact O-N 2.96Å; E966-T969 WeakPolarHBondContact O-CA 3.17Å; E966-T969 WeakPolarHBondContact O-CB 3.09Å; E966-T969 PolarHBondContact O-N 3.23Å; E966-T969 VanDerWaalsContact O-N 3.14Å; E966-F970 WeakPolarHBondContact O-CD2 3.38Å; E966-F970 PolarHBondContact O-N 2.59Å; E966-R1001 IonicContact OE1-NE 2.8Å
967E77.9Confident69Low78 Ų7872.7 Ų72.736%0.36437%0.368SS..Hα-helixtrans-65-44.4178.8-179.160.6-161.500112.5L963 D964 R965 T969 F970 R971L963-E967 HydrophobicContact CB-CG 4.4Å; L963-E967 HydrophobicContact CD2-CG 3.68Å; L963-E967 HydrophobicContact CG-CG 4.5Å; D964-E967 PolarHBondContact O-N 3.13Å; R965-E967 VanDerWaalsContact C-N 3.34Å; E967-T969 PolarHBondContact O-N 2.95Å; E967-F970 PolarHBondContact O-N 2.89Å; E967-R971 WeakPolarHBondContact O-CG 3.4Å; E967-R971 PolarHBondContact O-N 2.97Å; E967-R971 IonicContact OE1-CZ 2.73Å; E967-R971 IonicContact OE1-NE 2.72Å; E967-R971 PolarHBondContact OE1-NE 3.07Å; E967-R971 IonicContact OE1-NH2 3.14Å; E967-R971 PolarHBondContact OE1-NH2 3.43Å
968I71.2Confident68.1Low3 Ų378.4 Ų78.42%0.01539%0.394CS..Hα-helixtrans-60.4-38.3172.8-55.8166.2000110I957 K958 L963 D964 R965 R971 V972 V1004I957-I968 HydrophobicContact CG2-CG1 4.38Å; I957-I968 HydrophobicContact CG2-CG2 4.09Å; K958-I968 HydrophobicContact CG-CD1 4.17Å; L963-I968 HydrophobicContact CB-CD1 4.17Å; L963-I968 HydrophobicContact CB-CG1 3.56Å; L963-I968 HydrophobicContact CD1-CG1 4.31Å; D964-I968 WeakPolarHBondContact O-CG1 3.49Å; D964-I968 PolarHBondContact O-N 2.98Å; R965-I968 PolarHBondContact O-N 3.42Å; I968-R971 PolarHBondContact O-N 3.38Å; I968-V972 HydrophobicContact CG2-CG2 4.15Å; I968-V972 WeakPolarHBondContact O-CB 3.2Å; I968-V972 VanDerWaalsContact O-CG2 3.23Å; I968-V972 WeakPolarHBondContact O-CG2 3.44Å; I968-V972 PolarHBondContact O-N 2.94Å; I968-V1004 HydrophobicContact CB-CG1 3.79Å; I968-V1004 HydrophobicContact CG2-CG1 3.39Å
969T72.7Confident67.1Low1 Ų181.9 Ų81.91%0.00641%0.412CS..Hα-helixtrans-64.3-41.6178.4-510000111.5R965 E966 E967 A973 V997 L1000 R1001R965-T969 WeakPolarHBondContact O-CB 3.43Å; R965-T969 PolarHBondContact O-N 3.44Å; R965-T969 PolarHBondContact O-OG1 3.28Å; E966-T969 WeakPolarHBondContact O-CA 3.17Å; E966-T969 WeakPolarHBondContact O-CB 3.09Å; E966-T969 PolarHBondContact O-N 3.23Å; E966-T969 VanDerWaalsContact O-N 3.14Å; E967-T969 PolarHBondContact O-N 2.95Å; T969-A973 WeakPolarHBondContact O-CB 3.22Å; T969-A973 PolarHBondContact O-N 2.85Å; T969-V997 HydrophobicContact CG2-CG1 4.03Å; T969-L1000 HydrophobicContact CG2-CB 3.61Å; T969-R1001 HydrophobicContact CG2-CG 3.81Å
970F75.1Confident65.9Low116 Ų11681.1 Ų81.151%0.50942%0.417SS..Hα-helixtrans-68.6-41.3174.5-74.7-65000112.9E966 E967 A973 A974 V997E966-F970 WeakPolarHBondContact O-CD2 3.38Å; E966-F970 PolarHBondContact O-N 2.59Å; E967-F970 PolarHBondContact O-N 2.89Å; F970-A973 WeakPolarHBondContact O-CB 3.23Å; F970-A973 PolarHBondContact O-N 3.41Å; F970-A974 PolarHBondContact O-N 3.27Å; F970-V997 HydrophobicContact CE1-CG1 4.48Å
971R78.2Confident64.7Low76 Ų7682.4 Ų82.429%0.28742%0.423SS..Hα-helixtrans-63.9-42175.6-69.4-173-173-168.84.6111.7I957 E961 L963 E967 I968 A973 A974 Y975I957-R971 HydrophobicContact CD1-CB 3.76Å; I957-R971 HydrophobicContact CG1-CB 4.21Å; I957-R971 HydrophobicContact CG2-CB 4.09Å; E961-R971 IonicContact OE2-CZ 3.1Å; E961-R971 VanDerWaalsContact OE2-CZ 3.32Å; E961-R971 IonicContact OE2-NH1 2.65Å; E961-R971 PolarHBondContact OE2-NH1 3.07Å; E961-R971 IonicContact OE2-NH2 3.88Å; E961-R971 PolarHBondContact OE2-NH2 3.29Å; L963-R971 VanDerWaalsContact CD2-CZ 3.48Å; E967-R971 WeakPolarHBondContact O-CG 3.4Å; E967-R971 PolarHBondContact O-N 2.97Å; E967-R971 IonicContact OE1-CZ 2.73Å; E967-R971 IonicContact OE1-NE 2.72Å; E967-R971 PolarHBondContact OE1-NE 3.07Å; E967-R971 IonicContact OE1-NH2 3.14Å; E967-R971 PolarHBondContact OE1-NH2 3.43Å; I968-R971 PolarHBondContact O-N 3.38Å; R971-A973 VanDerWaalsContact C-N 3.33Å; R971-A973 PolarHBondContact O-N 2.81Å; R971-A974 PolarHBondContact O-N 3Å; R971-A974 VanDerWaalsContact O-N 3.15Å; R971-Y975 WeakPolarHBondContact O-CD2 3.49Å; R971-Y975 PolarHBondContact O-N 3.34Å
972V72.9Confident63.3Low1 Ų182.2 Ų82.21%0.00643%0.434CS..Hα-helixtrans-63.3-38.9173.1173.30000111.5L950 I953 I954 I957 I968 A974 Y975 L976 L1000 V1004L950-V972 HydrophobicContact CD2-CG1 3.87Å; I953-V972 HydrophobicContact CG2-CG2 4.24Å; I954-V972 HydrophobicContact CG1-CG2 3.62Å; I957-V972 HydrophobicContact CD1-CB 4.48Å; I957-V972 HydrophobicContact CD1-CG2 3.6Å; I968-V972 HydrophobicContact CG2-CG2 4.15Å; I968-V972 WeakPolarHBondContact O-CB 3.2Å; I968-V972 VanDerWaalsContact O-CG2 3.23Å; I968-V972 WeakPolarHBondContact O-CG2 3.44Å; I968-V972 PolarHBondContact O-N 2.94Å; V972-A974 VanDerWaalsContact C-N 3.26Å; V972-A974 PolarHBondContact O-N 3.46Å; V972-Y975 PolarHBondContact O-N 2.91Å; V972-L976 PolarHBondContact O-N 2.98Å; V972-L1000 HydrophobicContact CG1-CD2 4.22Å; V972-V1004 HydrophobicContact CB-CG2 4.08Å; V972-V1004 HydrophobicContact CG1-CG2 4.16Å; V972-V1004 HydrophobicContact CG2-CG2 3.94Å
973A74.9Confident61.4Low27 Ų2778.4 Ų78.422%0.22342%0.423CS..Hα-helixtrans-62.8-31.6174.200000113.1T969 F970 R971 H978 L1000T969-A973 WeakPolarHBondContact O-CB 3.22Å; T969-A973 PolarHBondContact O-N 2.85Å; F970-A973 WeakPolarHBondContact O-CB 3.23Å; F970-A973 PolarHBondContact O-N 3.41Å; R971-A973 VanDerWaalsContact C-N 3.33Å; R971-A973 PolarHBondContact O-N 2.81Å; A973-H978 PolarHBondContact O-CE1 3.33Å; A973-L1000 HydrophobicContact CB-CD1 3.58Å
974A74.8Confident59.3Low67 Ų6782.4 Ų82.455%0.55445%0.453SS*.Hα-helixtrans-82.3-27.2177.700000113.8F970 R971 V972F970-A974 PolarHBondContact O-N 3.27Å; R971-A974 PolarHBondContact O-N 3Å; R971-A974 VanDerWaalsContact O-N 3.15Å; V972-A974 VanDerWaalsContact C-N 3.26Å; V972-A974 PolarHBondContact O-N 3.46Å
975Y72Confident57.2Low141 Ų14181.9 Ų81.955%0.55346%0.458SS*.Hα-helixtrans-78.4-22.5174.6-95.7-82.2000113.6I953 I957 R971 V972I953-Y975 HydrophobicContact CG2-CD2 4.29Å; I953-Y975 HydrophobicContact CG2-CG 3.91Å; I957-Y975 HydrophobicContact CD1-CD2 3.92Å; I957-Y975 HydrophobicContact CD1-CE2 4.33Å; I957-Y975 HydrophobicContact CG1-CD2 4.2Å; I957-Y975 HydrophobicContact CG1-CE2 4.08Å; R971-Y975 WeakPolarHBondContact O-CD2 3.49Å; R971-Y975 PolarHBondContact O-N 3.34Å; V972-Y975 PolarHBondContact O-N 2.91Å
976L66.8Low55.6Low21 Ų2184.6 Ų84.611%0.1149%0.486CS..SBendtrans-67127.8172.7-78.3167.1000109.8M938 L950 V972 H978 L1000M938-L976 HydrophobicContact CE-CD2 3.74Å; M938-L976 HydrophobicContact CG-CD2 3.82Å; M938-L976 HydrophobicContact SD-CD2 4.13Å; L950-L976 HydrophobicContact CD2-CD2 4.32Å; V972-L976 PolarHBondContact O-N 2.98Å; L976-H978 PolarHBondContact O-N 3.42Å; L976-L1000 HydrophobicContact CD1-CD1 4.38Å; L976-L1000 HydrophobicContact CD1-CD2 3.87Å
977P60.6Low53.5Low87 Ų8787 Ų8757%0.56551%0.511SS*.  trans-61.4110.5-173.123.1-33.2000111.3Q979P977-Q979 PolarHBondContact O-N 2.87Å
978H54Low50.9Low126 Ų12689.4 Ų89.458%0.58354%0.535SS*.  trans-63.7124.2169-62.6-35.2000109A973 L976 S980A973-H978 PolarHBondContact O-CE1 3.33Å; L976-H978 PolarHBondContact O-N 3.42Å; H978-S980 PolarHBondContact O-N 3.24Å
979Q43Very low48.9Very low159 Ų15994 Ų9474%0.74357%0.568SS**  trans-58.6115.1175.3-73.1-172.8300109.6P977 L981P977-Q979 PolarHBondContact O-N 2.87Å; Q979-L981 HydrophobicContact CB-CD1 4.37Å; Q979-L981 PolarHBondContact O-N 3.17Å
980S35Very low46.9Very low120 Ų120101.1 Ų101.184%0.83961%0.605SS**  trans-77.367.3-174.944.80000111.9H978 S982H978-S980 PolarHBondContact O-N 3.24Å; S980-S982 PolarHBondContact O-N 3.39Å
981L33.1Very low44.8Very low151 Ų151102.8 Ų102.879%0.79162%0.619SS**  trans-72.7112161.4-84.892.2000109.7Q979Q979-L981 HydrophobicContact CB-CD1 4.37Å; Q979-L981 PolarHBondContact O-N 3.17Å
982S28.9Very low42.9Very low103 Ų103105.4 Ų105.472%0.7265%0.649SS**  trans-55.2130.3176.151.20000113.2S980S980-S982 PolarHBondContact O-N 3.39Å
983S26.8Very low41.4Very low104 Ų104107.6 Ų107.673%0.72767%0.671SS**  trans49.593.8148.7610000118.6
984S27.2Very low40.3Very low112 Ų112108.5 Ų108.578%0.78368%0.684SS**  -177.3137.1120.336.60000113.6
985S26.5Very low39.4Very low100 Ų100106.5 Ų106.570%0.69966%0.664SS**  trans3994.6154.555.70000120.3
986S25Very low39.3Very low118 Ų118102 Ų10283%0.82565%0.653SS**  36.289.2123.261.90000119.4
987S26.7Very low39.2Very low117 Ų117103.2 Ų103.282%0.81866%0.661SS**  trans-165.2127.9132.242.70000111.5S989S987-S989 PolarHBondContact O-N 3.32Å
988S24.6Very low39.3Very low127 Ų127104.2 Ų104.289%0.88866%0.658SS**  trans-90.490.8-170.642.40000112.9
989S28.2Very low39.7Very low100 Ų100101.5 Ų101.570%0.69965%0.645SS**  trans-161.5141154.858.30000111.4S987S987-S989 PolarHBondContact O-N 3.32Å
990L30Very low40.6Very low150 Ų15094 Ų9479%0.78561%0.611SS**  trans69.588.2177.4-58.9151000115.3S992L990-S992 PolarHBondContact O-N 2.84Å
991L32.1Very low41.9Very low151 Ų15191.7 Ų91.779%0.79158%0.584SS**  trans-61.597.9160-73.1163000109.1G993L991-G993 PolarHBondContact O-N 3.26Å
992S38.5Very low43Very low131 Ų13188.5 Ų88.592%0.91657%0.57SS**THydrogen-bonded Turntrans-77.114.1-163.851.70000116.2L990L990-S992 PolarHBondContact O-N 2.84Å
993G41.6Very low44.2Very low47 Ų4784.5 Ų84.549%0.48554%0.541SS..THydrogen-bonded Turntrans-1619.5-178.800000116.4Q937 L991Q937-G993 PolarHBondContact NE2-O 3.39Å; L991-G993 PolarHBondContact O-N 3.26Å
994G51.6Low45.7Very low47 Ų4779.8 Ų79.849%0.48551%0.508SS..SBendtrans-98.6158.2176.700000112.7S996G994-S996 PolarHBondContact O-N 3.01Å
995L55.7Low46.9Very low25 Ų2577.4 Ų77.413%0.13148%0.483CS..PPolyproline II helixtrans-54.3136.3162.5-73.8172.3000109.8Y931 L934 Q999 L1000 L1003Y931-L995 HydrophobicContact CD1-CD2 4.04Å; Y931-L995 HydrophobicContact CG-CD2 4.39Å; L934-L995 HydrophobicContact CD1-CD1 3.69Å; L995-Q999 HydrophobicContact CB-CB 4.31Å; L995-Q999 HydrophobicContact CD2-CB 4.06Å; L995-L1000 HydrophobicContact CB-CD1 4.48Å; L995-L1000 HydrophobicContact CB-CD2 4.11Å; L995-L1000 HydrophobicContact CB-CG 3.94Å; L995-L1000 HydrophobicContact CD1-CD2 3.75Å; L995-L1000 HydrophobicContact CD1-CG 4.44Å; L995-L1003 HydrophobicContact CD1-CD1 3.91Å
996S68.5Low47.6Very low47 Ų4777.8 Ų77.833%0.32948%0.483SS..PPolyproline II helixtrans-66.3156174.678.30000110.7G994 E998 Q999 L1000G994-S996 PolarHBondContact O-N 3.01Å; S996-E998 PolarHBondContact O-N 3.24Å; S996-Q999 WeakPolarHBondContact O-CA 3.14Å; S996-Q999 WeakPolarHBondContact O-CB 3.18Å; S996-Q999 PolarHBondContact O-N 3.12Å; S996-Q999 WeakPolarHBondContact OG-CG 3.44Å; S996-Q999 PolarHBondContact OG-N 2.06Å; S996-L1000 PolarHBondContact O-N 3.47Å
997V66.3Low48.2Very low46 Ų4677.3 Ų77.328%0.27947%0.468SS..Hα-helixtrans-57.9-34.5177-173.40000110.3T969 F970 L1000 R1001T969-V997 HydrophobicContact CG2-CG1 4.03Å; F970-V997 HydrophobicContact CE1-CG1 4.48Å; V997-L1000 PolarHBondContact O-N 3.1Å; V997-R1001 WeakPolarHBondContact O-CG 3.28Å; V997-R1001 PolarHBondContact O-N 2.91Å
998E61.9Low48.5Very low108 Ų10882.7 Ų82.751%0.50547%0.47SS..Hα-helixtrans-60.8-42.9172.4-70.257.6-128.200112.9S996 R1001 T1002S996-E998 PolarHBondContact O-N 3.24Å; E998-R1001 PolarHBondContact O-N 3.06Å; E998-R1001 IonicContact OE1-CZ 2.86Å; E998-R1001 VanDerWaalsContact OE1-CZ 3.24Å; E998-R1001 IonicContact OE1-NH1 2.68Å; E998-R1001 PolarHBondContact OE1-NH1 2.81Å; E998-R1001 IonicContact OE1-NH2 3.8Å; E998-R1001 PolarHBondContact OE1-NH2 3.46Å; E998-T1002 PolarHBondContact O-N 3.31Å; E998-T1002 PolarHBondContact O-OG1 3.08Å
999Q61.8Low48.8Very low68 Ų6880.1 Ų80.132%0.31845%0.449SS..Hα-helixtrans-67.7-39.8176.1-68.8171.9-45.100111.2Y931 L995 S996 T1002 L1003Y931-Q999 HydrophobicContact CE1-CB 4.1Å; Y931-Q999 HydrophobicContact CE1-CG 3.81Å; L995-Q999 HydrophobicContact CB-CB 4.31Å; L995-Q999 HydrophobicContact CD2-CB 4.06Å; S996-Q999 WeakPolarHBondContact O-CA 3.14Å; S996-Q999 WeakPolarHBondContact O-CB 3.18Å; S996-Q999 PolarHBondContact O-N 3.12Å; S996-Q999 WeakPolarHBondContact OG-CG 3.44Å; S996-Q999 PolarHBondContact OG-N 2.06Å; Q999-T1002 WeakPolarHBondContact CA-OG1 3.37Å; Q999-T1002 PolarHBondContact O-N 2.72Å; Q999-T1002 PolarHBondContact O-OG1 3.22Å; Q999-L1003 WeakPolarHBondContact O-CG 3.36Å; Q999-L1003 PolarHBondContact O-N 2.78Å
1000L62.5Low49.2Very low3 Ų378 Ų782%0.01644%0.435CS..Hα-helixtrans-66.1-38.4174.3-69.4172.5000112.2T969 V972 A973 L976 L995 S996 V997 T1002 L1003 V1004T969-L1000 HydrophobicContact CG2-CB 3.61Å; V972-L1000 HydrophobicContact CG1-CD2 4.22Å; A973-L1000 HydrophobicContact CB-CD1 3.58Å; L976-L1000 HydrophobicContact CD1-CD1 4.38Å; L976-L1000 HydrophobicContact CD1-CD2 3.87Å; L995-L1000 HydrophobicContact CB-CD1 4.48Å; L995-L1000 HydrophobicContact CB-CD2 4.11Å; L995-L1000 HydrophobicContact CB-CG 3.94Å; L995-L1000 HydrophobicContact CD1-CD2 3.75Å; L995-L1000 HydrophobicContact CD1-CG 4.44Å; S996-L1000 PolarHBondContact O-N 3.47Å; V997-L1000 PolarHBondContact O-N 3.1Å; L1000-T1002 VanDerWaalsContact C-N 3.26Å; L1000-T1002 PolarHBondContact O-N 2.98Å; L1000-L1003 HydrophobicContact CD2-CD1 4.47Å; L1000-L1003 PolarHBondContact O-N 2.83Å; L1000-V1004 WeakPolarHBondContact O-CB 3.47Å; L1000-V1004 WeakPolarHBondContact O-CG2 3.47Å; L1000-V1004 PolarHBondContact O-N 3.04Å
1001R62.7Low49.5Very low71 Ų7175.1 Ų75.127%0.26843%0.432SS..Hα-helixtrans-58.3-37.4173.9-74.2-169.1-140.298.98.8112.1E966 T969 V997 E998 L1003E966-R1001 IonicContact OE1-NE 2.8Å; T969-R1001 HydrophobicContact CG2-CG 3.81Å; V997-R1001 WeakPolarHBondContact O-CG 3.28Å; V997-R1001 PolarHBondContact O-N 2.91Å; E998-R1001 PolarHBondContact O-N 3.06Å; E998-R1001 IonicContact OE1-CZ 2.86Å; E998-R1001 VanDerWaalsContact OE1-CZ 3.24Å; E998-R1001 IonicContact OE1-NH1 2.68Å; E998-R1001 PolarHBondContact OE1-NH1 2.81Å; E998-R1001 IonicContact OE1-NH2 3.8Å; E998-R1001 PolarHBondContact OE1-NH2 3.46Å; R1001-L1003 VanDerWaalsContact C-N 3.28Å; R1001-L1003 PolarHBondContact O-N 2.76Å
1002T56.8Low49.7Very low83 Ų8374.8 Ų74.851%0.50943%0.426SS..Hα-helixtrans-68.9-22.4174.2350000114.3Y931 E998 Q999 L1000Y931-T1002 PolarHBondContact OH-OG1 3.08Å; E998-T1002 PolarHBondContact O-N 3.31Å; E998-T1002 PolarHBondContact O-OG1 3.08Å; Q999-T1002 WeakPolarHBondContact CA-OG1 3.37Å; Q999-T1002 PolarHBondContact O-N 2.72Å; Q999-T1002 PolarHBondContact O-OG1 3.22Å; L1000-T1002 VanDerWaalsContact C-N 3.26Å; L1000-T1002 PolarHBondContact O-N 2.98Å
1003L53.1Low49.4Very low19 Ų1971.8 Ų71.810%0.09940%0.4CS..Hα-helixtrans-91.4-39.6-179.8-66.8176.2000113.1V927 Y931 L950 L995 Q999 L1000 R1001V927-L1003 HydrophobicContact CB-CD2 4.08Å; V927-L1003 HydrophobicContact CG1-CD2 3.6Å; V927-L1003 HydrophobicContact CG2-CD2 3.72Å; Y931-L1003 HydrophobicContact CD2-CD1 4.15Å; Y931-L1003 HydrophobicContact CD2-CD2 3.88Å; Y931-L1003 HydrophobicContact CD2-CG 4.31Å; Y931-L1003 HydrophobicContact CE2-CD1 4.33Å; Y931-L1003 HydrophobicContact CE2-CD2 3.84Å; Y931-L1003 HydrophobicContact CE2-CG 4.1Å; L950-L1003 HydrophobicContact CD1-CD1 4.02Å; L995-L1003 HydrophobicContact CD1-CD1 3.91Å; Q999-L1003 WeakPolarHBondContact O-CG 3.36Å; Q999-L1003 PolarHBondContact O-N 2.78Å; L1000-L1003 HydrophobicContact CD2-CD1 4.47Å; L1000-L1003 PolarHBondContact O-N 2.83Å; R1001-L1003 VanDerWaalsContact C-N 3.28Å; R1001-L1003 PolarHBondContact O-N 2.76Å
1004V58.7Low49.2Very low5 Ų571.3 Ų71.33%0.0339%0.389CS..Hα-helixtrans-73.3-34.5-168.5167.70000113.4I954 I968 V972 L1000I954-V1004 HydrophobicContact CD1-CG2 4.24Å; I954-V1004 HydrophobicContact CG1-CG2 4.45Å; I968-V1004 HydrophobicContact CB-CG1 3.79Å; I968-V1004 HydrophobicContact CG2-CG1 3.39Å; V972-V1004 HydrophobicContact CB-CG2 4.08Å; V972-V1004 HydrophobicContact CG1-CG2 4.16Å; V972-V1004 HydrophobicContact CG2-CG2 3.94Å; L1000-V1004 WeakPolarHBondContact O-CB 3.47Å; L1000-V1004 WeakPolarHBondContact O-CG2 3.47Å; L1000-V1004 PolarHBondContact O-N 3.04Å
1005K52.3Low48.7Very low63 Ų6371.9 Ų71.927%0.27439%0.385SS..  trans-147111.1165.2-71.2-176.2-174.6164.80110.3R965 E1007R965-K1005 HydrophobicContact CB-CD 4.37Å; R965-K1005 HydrophobicContact CG-CB 4.48Å; R965-K1005 HydrophobicContact CG-CD 4.16Å; K1005-E1007 HydrophobicContact CB-CB 4.2Å; K1005-E1007 WeakPolarHBondContact CD-OE1 3.4Å; K1005-E1007 PolarHBondContact O-N 2.88Å
1006P40.5Very low47.9Very low108 Ų10874.6 Ų74.670%0.70140%0.4SS*.  trans-73.376.4165.130.6-33.7000109.5R1008P1006-R1008 PolarHBondContact O-N 3Å
1007E38.2Very low46.4Very low108 Ų10877.8 Ų77.851%0.50541%0.409SS..THydrogen-bonded Turntrans-80.249.3-158.3-154.7163.1-125.100114.5R965 K1005R965-E1007 WeakPolarHBondContact CD-OE2 3.32Å; R965-E1007 IonicContact CZ-OE2 3.23Å; R965-E1007 IonicContact NE-OE2 2.77Å; R965-E1007 IonicContact NH1-OE2 3.73Å; R965-E1007 PolarHBondContact NH1-OE2 2.9Å; K1005-E1007 HydrophobicContact CB-CB 4.2Å; K1005-E1007 WeakPolarHBondContact CD-OE1 3.4Å; K1005-E1007 PolarHBondContact O-N 2.88Å
1008R32.9Very low45.3Very low230 Ų23080.3 Ų80.387%0.86842%0.421SS*.THydrogen-bonded Turntrans-110.92.3168.4-86.6-164-177.5135.95.3114.7P1006P1006-R1008 PolarHBondContact O-N 3Å
1009V32Very low44.7Very low73 Ų7377.8 Ų77.844%0.44242%0.419SS..SBendtrans-138.5105.1174.1-161.20000107.1D1013 S1014V1009-D1013 HydrophobicContact CB-CB 4.49Å; V1009-D1013 HydrophobicContact CG1-CB 3.65Å; V1009-S1014 VanDerWaalsContact CG1-N 3.33Å; V1009-S1014 VanDerWaalsContact CG1-OG 3.23Å; V1009-S1014 WeakPolarHBondContact CG1-OG 3.16Å
1010S35.1Very low44.2Very low56 Ų5676.5 Ų76.539%0.39242%0.417SS..  trans-64.1168.5169.369.20000110.2H1012 D1013 S1014S1010-H1012 PolarHBondContact O-N 3.08Å; S1010-H1012 PolarHBondContact OG-N 3.23Å; S1010-D1013 VanDerWaalsContact CB-OD2 3.22Å; S1010-D1013 WeakPolarHBondContact CB-OD2 3.17Å; S1010-D1013 PolarHBondContact N-OD2 3.33Å; S1010-D1013 PolarHBondContact O-N 2.76Å; S1010-D1013 PolarHBondContact OG-N 3.32Å; S1010-D1013 PolarHBondContact OG-OD2 3.4Å; S1010-S1014 WeakPolarHBondContact O-CB 3.4Å; S1010-S1014 PolarHBondContact O-N 2.7Å; S1010-S1014 PolarHBondContact O-OG 2.65Å
1011A36.2Very low44Very low88 Ų8880.4 Ų80.473%0.72744%0.442SS*.Hα-helixtrans-59-33.7171.900000111.2S1014 S1015A1011-S1014 WeakPolarHBondContact O-CB 3.4Å; A1011-S1014 PolarHBondContact O-N 3.07Å; A1011-S1015 PolarHBondContact O-N 2.92Å
1012H36.1Very low43.7Very low144 Ų14477.1 Ų77.167%0.66743%0.431SS*.Hα-helixtrans-69.4-46.5172.7-110.4-23.6000112.5S1010 S1014 S1015 L1016S1010-H1012 PolarHBondContact O-N 3.08Å; S1010-H1012 PolarHBondContact OG-N 3.23Å; H1012-S1014 PolarHBondContact O-N 2.89Å; H1012-S1015 WeakPolarHBondContact CA-OG 3.35Å; H1012-S1015 CarbonylContact O-C 3.57Å; H1012-S1015 PolarHBondContact O-N 2.88Å; H1012-S1015 VanDerWaalsContact O-N 3.08Å; H1012-S1015 PolarHBondContact O-OG 3.14Å; H1012-L1016 WeakPolarHBondContact O-CB 3.07Å; H1012-L1016 WeakPolarHBondContact O-CG 3.44Å; H1012-L1016 PolarHBondContact O-N 3.44Å
1013D33.9Very low43.7Very low69 Ų6975 Ų7537%0.36942%0.417SS..Hα-helixtrans-62.8-28.9175.2-57.2-54.3000111.6V1009 S1010 L1016 H1017V1009-D1013 HydrophobicContact CB-CB 4.49Å; V1009-D1013 HydrophobicContact CG1-CB 3.65Å; S1010-D1013 VanDerWaalsContact CB-OD2 3.22Å; S1010-D1013 WeakPolarHBondContact CB-OD2 3.17Å; S1010-D1013 PolarHBondContact N-OD2 3.33Å; S1010-D1013 PolarHBondContact O-N 2.76Å; S1010-D1013 PolarHBondContact OG-N 3.32Å; S1010-D1013 PolarHBondContact OG-OD2 3.4Å; D1013-L1016 PolarHBondContact O-N 3.44Å; D1013-H1017 VanDerWaalsContact O-CB 3.3Å; D1013-H1017 WeakPolarHBondContact O-CB 3.28Å; D1013-H1017 PolarHBondContact O-N 2.95Å
1014S37.6Very low43.9Very low37 Ų3777.7 Ų77.726%0.25943%0.432SS..Hα-helixtrans-67.8-46.9173.8-59.60000109.7V1009 S1010 A1011 H1012 L1016 N1018V1009-S1014 VanDerWaalsContact CG1-N 3.33Å; V1009-S1014 VanDerWaalsContact CG1-OG 3.23Å; V1009-S1014 WeakPolarHBondContact CG1-OG 3.16Å; S1010-S1014 WeakPolarHBondContact O-CB 3.4Å; S1010-S1014 PolarHBondContact O-N 2.7Å; S1010-S1014 PolarHBondContact O-OG 2.65Å; A1011-S1014 WeakPolarHBondContact O-CB 3.4Å; A1011-S1014 PolarHBondContact O-N 3.07Å; H1012-S1014 PolarHBondContact O-N 2.89Å; S1014-L1016 VanDerWaalsContact C-N 3.28Å; S1014-L1016 PolarHBondContact O-N 3.06Å; S1014-N1018 VanDerWaalsContact O-CB 3.23Å; S1014-N1018 WeakPolarHBondContact O-CB 3.22Å; S1014-N1018 PolarHBondContact O-N 2.77Å; S1014-N1018 PolarHBondContact O-ND2 2.72Å; S1014-N1018 PolarHBondContact O-OD1 3.34Å
1015S40.3Very low44Very low58 Ų5878.3 Ų78.341%0.40643%0.434SS..Hα-helixtrans-61.3-35.5173.7710000112.5A1011 H1012 A1019A1011-S1015 PolarHBondContact O-N 2.92Å; H1012-S1015 WeakPolarHBondContact CA-OG 3.35Å; H1012-S1015 CarbonylContact O-C 3.57Å; H1012-S1015 PolarHBondContact O-N 2.88Å; H1012-S1015 VanDerWaalsContact O-N 3.08Å; H1012-S1015 PolarHBondContact O-OG 3.14Å; S1015-A1019 VanDerWaalsContact O-CB 3.22Å; S1015-A1019 WeakPolarHBondContact O-CB 3.5Å; S1015-A1019 PolarHBondContact O-N 2.79Å
1016L37.7Very low44.2Very low83 Ų8376.8 Ų76.844%0.43543%0.429SS..Hα-helixtrans-81-39.2-178.2-69.9169.6000113.5H1012 D1013 S1014 N1018 A1019 C1020H1012-L1016 WeakPolarHBondContact O-CB 3.07Å; H1012-L1016 WeakPolarHBondContact O-CG 3.44Å; H1012-L1016 PolarHBondContact O-N 3.44Å; D1013-L1016 PolarHBondContact O-N 3.44Å; S1014-L1016 VanDerWaalsContact C-N 3.28Å; S1014-L1016 PolarHBondContact O-N 3.06Å; L1016-N1018 VanDerWaalsContact C-N 3.32Å; L1016-A1019 PolarHBondContact O-N 3.31Å; L1016-C1020 PolarHBondContact O-N 2.67Å
1017H38.7Very low44.8Very low113 Ų11373.6 Ų73.652%0.52341%0.412SS..Hα-helixtrans-62.4-43.2170-98.9-70.5000110.4D1013 A1019 C1020 V1023D1013-H1017 VanDerWaalsContact O-CB 3.3Å; D1013-H1017 WeakPolarHBondContact O-CB 3.28Å; D1013-H1017 PolarHBondContact O-N 2.95Å; H1017-A1019 VanDerWaalsContact C-N 3.27Å; H1017-A1019 PolarHBondContact O-N 3.3Å; H1017-C1020 WeakPolarHBondContact O-CB 3.37Å; H1017-C1020 PolarHBondContact O-N 2.85Å; H1017-V1023 VanDerWaalsContact O-CB 3.24Å; H1017-V1023 WeakPolarHBondContact O-CB 3.45Å; H1017-V1023 WeakPolarHBondContact O-CG1 3.46Å; H1017-V1023 WeakPolarHBondContact O-CG2 3.41Å
1018N43.5Very low45.7Very low100 Ų10074.4 Ų74.454%0.53541%0.413SS..Hα-helixtrans-64.1-32.5173.9-66.6-8.5000111.9S1014 L1016 C1020 N1024S1014-N1018 VanDerWaalsContact O-CB 3.23Å; S1014-N1018 WeakPolarHBondContact O-CB 3.22Å; S1014-N1018 PolarHBondContact O-N 2.77Å; S1014-N1018 PolarHBondContact O-ND2 2.72Å; S1014-N1018 PolarHBondContact O-OD1 3.34Å; L1016-N1018 VanDerWaalsContact C-N 3.32Å; N1018-C1020 VanDerWaalsContact C-N 3.31Å; N1018-C1020 PolarHBondContact O-N 3.43Å; N1018-N1024 PolarHBondContact O-ND2 3Å; N1018-N1024 PolarHBondContact O-OD1 3.38Å
1019A48.9Very low46.6Very low55 Ų5566.2 Ų66.246%0.45539%0.387SS..Hα-helixtrans-75.2-11.4177.500000114.9S1015 L1016 H1017 P1021 N1024S1015-A1019 VanDerWaalsContact O-CB 3.22Å; S1015-A1019 WeakPolarHBondContact O-CB 3.5Å; S1015-A1019 PolarHBondContact O-N 2.79Å; L1016-A1019 PolarHBondContact O-N 3.31Å; H1017-A1019 VanDerWaalsContact C-N 3.27Å; H1017-A1019 PolarHBondContact O-N 3.3Å; A1019-P1021 WeakPolarHBondContact O-CD 3.48Å; A1019-N1024 PolarHBondContact O-ND2 2.87Å; A1019-N1024 VanDerWaalsContact O-ND2 3.13Å
1020C50.6Low47.4Very low40 Ų4066.7 Ų66.727%0.2738%0.38SS..SBendtrans-59.1127.2175177.20000109.8L1016 H1017 N1018 A1022 V1023 N1024L1016-C1020 PolarHBondContact O-N 2.67Å; H1017-C1020 WeakPolarHBondContact O-CB 3.37Å; H1017-C1020 PolarHBondContact O-N 2.85Å; N1018-C1020 VanDerWaalsContact C-N 3.31Å; N1018-C1020 PolarHBondContact O-N 3.43Å; C1020-A1022 PolarHBondContact O-N 2.79Å; C1020-A1022 VanDerWaalsContact O-N 3.08Å; C1020-V1023 HydrophobicContact CB-CB 4.09Å; C1020-V1023 HydrophobicContact CB-CG2 3.88Å; C1020-V1023 CarbonylContact O-C 3.53Å; C1020-V1023 WeakPolarHBondContact O-CA 3.48Å; C1020-V1023 PolarHBondContact O-N 3.17Å; C1020-N1024 PolarHBondContact O-N 3.44Å
1021P58.3Low47.5Very low85 Ų8568.6 Ų68.655%0.55239%0.393SS*.Hα-helixtrans-53.2-33.4-178.2-33.239.6000115P402 A1019 Q1025P402-P1021 HydrophobicContact CG-CB 3.51Å; A1019-P1021 WeakPolarHBondContact O-CD 3.48Å; P1021-Q1025 PolarHBondContact O-N 3.37Å
1022A56.5Low47.9Very low3 Ų372 Ų723%0.02539%0.388CS..Hα-helixtrans-72.2-32174.700000113.2L400 C1020 Q1025 L1026L400-A1022 HydrophobicContact CB-CB 3.56Å; C1020-A1022 PolarHBondContact O-N 2.79Å; C1020-A1022 VanDerWaalsContact O-N 3.08Å; A1022-Q1025 PolarHBondContact O-N 3.24Å; A1022-L1026 PolarHBondContact O-N 2.96Å
1023V56.6Low48.2Very low37 Ų3769.1 Ų69.122%0.22438%0.382CS..Hα-helixtrans-76.9-34.8173.7-179.10000110.7H1017 C1020 Q1025 L1026 A1027H1017-V1023 VanDerWaalsContact O-CB 3.24Å; H1017-V1023 WeakPolarHBondContact O-CB 3.45Å; H1017-V1023 WeakPolarHBondContact O-CG1 3.46Å; H1017-V1023 WeakPolarHBondContact O-CG2 3.41Å; C1020-V1023 HydrophobicContact CB-CB 4.09Å; C1020-V1023 HydrophobicContact CB-CG2 3.88Å; C1020-V1023 CarbonylContact O-C 3.53Å; C1020-V1023 WeakPolarHBondContact O-CA 3.48Å; C1020-V1023 PolarHBondContact O-N 3.17Å; V1023-Q1025 VanDerWaalsContact C-N 3.31Å; V1023-Q1025 PolarHBondContact O-N 2.82Å; V1023-L1026 WeakPolarHBondContact O-CB 3.36Å; V1023-L1026 PolarHBondContact O-N 3.43Å; V1023-A1027 WeakPolarHBondContact O-CB 3.07Å; V1023-A1027 PolarHBondContact O-N 2.91Å
1024N58.5Low48.5Very low76 Ų7674.9 Ų74.941%0.40641%0.407SS..Hα-helixtrans-62.4-36.5167.4-82-45.8000111.9N1018 A1019 C1020 A1027 K1028N1018-N1024 PolarHBondContact O-ND2 3Å; N1018-N1024 PolarHBondContact O-OD1 3.38Å; A1019-N1024 PolarHBondContact O-ND2 2.87Å; A1019-N1024 VanDerWaalsContact O-ND2 3.13Å; C1020-N1024 PolarHBondContact O-N 3.44Å; N1024-A1027 PolarHBondContact O-N 2.9Å; N1024-K1028 WeakPolarHBondContact O-CB 3.5Å; N1024-K1028 WeakPolarHBondContact O-CG 3.12Å; N1024-K1028 PolarHBondContact O-N 2.86Å
1025Q60.6Low48.6Very low19 Ų1982.6 Ų82.69%0.08944%0.436CS..Hα-helixtrans-66.9-44.3172.4-172.2175.537.700111.7L403 F890 P1021 A1022 V1023 A1027 K1028 L1029L403-Q1025 PolarHBondContact O-NE2 3.06Å; F890-Q1025 HydrophobicContact CE2-CG 4.2Å; F890-Q1025 HydrophobicContact CZ-CG 4.24Å; P1021-Q1025 PolarHBondContact O-N 3.37Å; A1022-Q1025 PolarHBondContact O-N 3.24Å; V1023-Q1025 VanDerWaalsContact C-N 3.31Å; V1023-Q1025 PolarHBondContact O-N 2.82Å; Q1025-A1027 VanDerWaalsContact C-N 3.27Å; Q1025-A1027 PolarHBondContact O-N 2.86Å; Q1025-K1028 PolarHBondContact O-N 3.46Å; Q1025-L1029 HydrophobicContact CG-CD1 4.39Å; Q1025-L1029 WeakPolarHBondContact O-CG 3.49Å; Q1025-L1029 PolarHBondContact O-N 3.37Å
1026L55.7Low48.7Very low30 Ų3083.8 Ų83.816%0.15744%0.444CS..Hα-helixtrans-57.3-40.9170.9177.666.9000111.4F890 A1022 V1023 R1030F890-L1026 HydrophobicContact CD1-CD1 3.95Å; F890-L1026 HydrophobicContact CE1-CB 3.87Å; F890-L1026 HydrophobicContact CE1-CD1 3.63Å; F890-L1026 HydrophobicContact CE1-CG 4.34Å; F890-L1026 HydrophobicContact CZ-CB 4.39Å; A1022-L1026 PolarHBondContact O-N 2.96Å; V1023-L1026 WeakPolarHBondContact O-CB 3.36Å; V1023-L1026 PolarHBondContact O-N 3.43Å; L1026-R1030 HydrophobicContact CD1-CG 4.44Å; L1026-R1030 WeakPolarHBondContact O-CB 3.3Å; L1026-R1030 VanDerWaalsContact O-CG 3.28Å; L1026-R1030 WeakPolarHBondContact O-CG 2.9Å; L1026-R1030 PolarHBondContact O-N 2.74Å
1027A53.5Low48.9Very low41 Ų4185.8 Ų85.834%0.33947%0.465SS..Hα-helixtrans-68.5-44.317700000111.9V1023 N1024 Q1025 L1029 R1030 C1031V1023-A1027 WeakPolarHBondContact O-CB 3.07Å; V1023-A1027 PolarHBondContact O-N 2.91Å; N1024-A1027 PolarHBondContact O-N 2.9Å; Q1025-A1027 VanDerWaalsContact C-N 3.27Å; Q1025-A1027 PolarHBondContact O-N 2.86Å; A1027-L1029 VanDerWaalsContact C-N 3.33Å; A1027-L1029 PolarHBondContact O-N 3.38Å; A1027-R1030 CarbonylContact O-C 3.37Å; A1027-R1030 PolarHBondContact O-N 3.28Å; A1027-C1031 WeakPolarHBondContact O-CB 3.24Å; A1027-C1031 PolarHBondContact O-N 2.78Å; A1027-C1031 PolarHBondContact O-SG 2.94Å
1028K56.6Low49.3Very low125 Ų12586 Ų8654%0.54347%0.47SS..Hα-helixtrans-55.4-47.1172.7-79.1-178.7175.7-169.10111.4E405 N1024 Q1025 C1031 Y1032E405-K1028 IonicContact OE1-NZ 3.46Å; E405-K1028 PolarHBondContact OE1-NZ 3.4Å; N1024-K1028 WeakPolarHBondContact O-CB 3.5Å; N1024-K1028 WeakPolarHBondContact O-CG 3.12Å; N1024-K1028 PolarHBondContact O-N 2.86Å; Q1025-K1028 PolarHBondContact O-N 3.46Å; K1028-C1031 CarbonylContact O-C 3.59Å; K1028-C1031 PolarHBondContact O-N 3.08Å; K1028-Y1032 PolarHBondContact O-N 3.37Å
1029L53Low49.8Very low58 Ų5885.1 Ų85.130%0.30447%0.471SS..Hα-helixtrans-66.8-39179.4-68.6172.1000112.1F890 Q1025 A1027F890-L1029 HydrophobicContact CD1-CD1 4.12Å; F890-L1029 HydrophobicContact CD2-CD1 3.57Å; F890-L1029 HydrophobicContact CE1-CD1 4.21Å; F890-L1029 HydrophobicContact CE2-CD1 3.66Å; F890-L1029 HydrophobicContact CG-CD1 3.82Å; F890-L1029 HydrophobicContact CZ-CD1 3.98Å; Q1025-L1029 HydrophobicContact CG-CD1 4.39Å; Q1025-L1029 WeakPolarHBondContact O-CG 3.49Å; Q1025-L1029 PolarHBondContact O-N 3.37Å; A1027-L1029 VanDerWaalsContact C-N 3.33Å; A1027-L1029 PolarHBondContact O-N 3.38Å
1030R47.1Very low50.5Low83 Ų8385.1 Ų85.131%0.31347%0.466SS..Hα-helixtrans-72.2-26.6173.5-74.9178.2178.7-168.50.7114.3N919 L1026 A1027N919-R1030 PolarHBondContact OD1-NH1 3.36Å; L1026-R1030 HydrophobicContact CD1-CG 4.44Å; L1026-R1030 WeakPolarHBondContact O-CB 3.3Å; L1026-R1030 VanDerWaalsContact O-CG 3.28Å; L1026-R1030 WeakPolarHBondContact O-CG 2.9Å; L1026-R1030 PolarHBondContact O-N 2.74Å; A1027-R1030 CarbonylContact O-C 3.37Å; A1027-R1030 PolarHBondContact O-N 3.28Å
1031C38.1Very low51.7Low97 Ų9784.1 Ų84.166%0.65546%0.458SS*.THydrogen-bonded Turntrans-97.815.8-179.1-66.30000112.5A1027 K1028 P1033A1027-C1031 WeakPolarHBondContact O-CB 3.24Å; A1027-C1031 PolarHBondContact O-N 2.78Å; A1027-C1031 PolarHBondContact O-SG 2.94Å; K1028-C1031 CarbonylContact O-C 3.59Å; K1028-C1031 PolarHBondContact O-N 3.08Å; C1031-P1033 WeakPolarHBondContact O-CD 3.35Å; C1031-P1033 VanDerWaalsContact O-N 3.1Å
1032Y44.2Very low52.9Low159 Ų15983 Ų8362%0.62445%0.45SS*.SBendtrans-55.2115.8154-100.6-86.5000106.6K1028 E1034K1028-Y1032 PolarHBondContact O-N 3.37Å; Y1032-E1034 PolarHBondContact O-N 3.21Å
1033P41.8Very low54.4Low84 Ų8484 Ų8455%0.54545%0.453SS..  trans-69.1134.2-161.525.2-34000110.5C1031 K1035C1031-P1033 WeakPolarHBondContact O-CD 3.35Å; C1031-P1033 VanDerWaalsContact O-N 3.1Å; P1033-K1035 HydrophobicContact CB-CB 4.32Å; P1033-K1035 HydrophobicContact CB-CG 4.26Å; P1033-K1035 PolarHBondContact O-N 3.32Å
1034E41Very low55.9Low189 Ų18982.6 Ų82.688%0.88345%0.445SS*.THydrogen-bonded Turntrans-61.816.8170.9-63.4-176160.300114Y1032 S1036Y1032-E1034 PolarHBondContact O-N 3.21Å; E1034-S1036 PolarHBondContact O-N 3.38Å
1035K40.7Very low57.3Low199 Ų19979.1 Ų79.187%0.86543%0.426SS*.THydrogen-bonded Turntrans-79.8-0-178.4-71.6-169.2172-171.50113.9P1033P1033-K1035 HydrophobicContact CB-CB 4.32Å; P1033-K1035 HydrophobicContact CB-CG 4.26Å; P1033-K1035 PolarHBondContact O-N 3.32Å
1036S42.1Very low58.6Low83 Ų8378.4 Ų78.458%0.5842%0.423SS*.SBendtrans-120.2119.2165.753.10000109.7E1034 L1038E1034-S1036 PolarHBondContact O-N 3.38Å; S1036-L1038 PolarHBondContact O-N 2.84Å
1037S41.9Very low59.8Low125 Ų12578.4 Ų78.487%0.87442%0.423SS*.SBendtrans-71.826.5-177.645.40000114.8
1038L45.8Very low61Low119 Ų11976.5 Ų76.562%0.62341%0.407SS*.  trans-129.2112.2174.5-84.585000109.4S1036 T1040S1036-L1038 PolarHBondContact O-N 2.84Å; L1038-T1040 HydrophobicContact CB-CG2 4.26Å; L1038-T1040 HydrophobicContact CD2-CG2 4.4Å; L1038-T1040 PolarHBondContact O-N 3.39Å
1039S53.5Low61.5Low81 Ų8176.4 Ų76.457%0.56641%0.413SS*.  trans-7670167.547.50000110.4R909R909-S1039 VanDerWaalsContact CD-O 3.24Å; R909-S1039 WeakPolarHBondContact CD-O 3.38Å; R909-S1039 WeakPolarHBondContact CG-O 3.43Å; R909-S1039 PolarHBondContact NE-O 3.27Å
1040T64Low62.4Low55 Ų5578.9 Ų78.934%0.33742%0.421SS..  trans-71.8150.2177.736.70000112.1L1038L1038-T1040 HydrophobicContact CB-CG2 4.26Å; L1038-T1040 HydrophobicContact CD2-CG2 4.4Å; L1038-T1040 PolarHBondContact O-N 3.39Å
1041T76.4Confident63.6Low18 Ų1875.1 Ų75.111%0.1141%0.406CS..  trans-64.8152.2164.555.30000110.1P415 D416 R909P415-T1041 WeakPolarHBondContact CB-O 3.35Å; P415-T1041 PolarHBondContact O-OG1 2.73Å; D416-T1041 WeakPolarHBondContact OD1-CB 3.29Å; D416-T1041 WeakPolarHBondContact OD1-CG2 3.5Å; D416-T1041 PolarHBondContact OD1-N 2.91Å; D416-T1041 PolarHBondContact OD1-OG1 3.38Å; R909-T1041 HydrophobicContact CG-CG2 4.3Å
1042V83.5Confident64.9Low63 Ų6374 Ų7438%0.38239%0.389SS..EExtended strand (participates in β ladder)trans-124.6123.7175.6-1790000109.8D907D907-V1042 HydrophobicContact CB-CB 4.12Å; D907-V1042 WeakPolarHBondContact CB-O 3.1Å; D907-V1042 PolarHBondContact N-O 3.26Å; D907-V1042 PolarHBondContact O-N 3.16Å
1043W88.5Confident65.9Low22 Ų2272.7 Ų72.78%0.08339%0.388CS..EExtended strand (participates in β ladder)trans-99131.6176.3-68.783.1000110.5F409 P415 I418 G419 L422 L904 E906F409-W1043 HydrophobicContact CB-CB 3.85Å; F409-W1043 PolarHBondContact N-O 3.04Å; P415-W1043 PolarHBondContact O-NE1 3.37Å; I418-W1043 HydrophobicContact CB-CD2 4.35Å; I418-W1043 HydrophobicContact CB-CG 4.12Å; I418-W1043 HydrophobicContact CD1-CB 4.07Å; I418-W1043 HydrophobicContact CD1-CG 4.03Å; I418-W1043 HydrophobicContact CG2-CB 4.37Å; I418-W1043 HydrophobicContact CG2-CD2 3.9Å; I418-W1043 HydrophobicContact CG2-CE3 4.4Å; I418-W1043 HydrophobicContact CG2-CG 3.85Å; G419-W1043 VanDerWaalsContact CA-CZ2 3.46Å; L422-W1043 HydrophobicContact CD1-CE3 4.44Å; L422-W1043 HydrophobicContact CD1-CZ3 4.33Å; L904-W1043 HydrophobicContact CB-CE3 4.45Å; L904-W1043 HydrophobicContact CB-CZ3 4.47Å; L904-W1043 HydrophobicContact CD1-CE3 4.42Å; L904-W1043 HydrophobicContact CD1-CZ3 4.36Å; E906-W1043 HydrophobicContact CB-CD2 4.5Å; E906-W1043 HydrophobicContact CB-CE3 4.19Å; E906-W1043 HydrophobicContact CB-CH2 3.98Å; E906-W1043 HydrophobicContact CB-CZ2 4.31Å; E906-W1043 HydrophobicContact CB-CZ3 3.93Å; E906-W1043 HydrophobicContact CG-CD2 4.39Å; E906-W1043 HydrophobicContact CG-CE3 4.5Å; E906-W1043 HydrophobicContact CG-CH2 3.83Å; E906-W1043 HydrophobicContact CG-CZ2 3.7Å; E906-W1043 HydrophobicContact CG-CZ3 4.24Å
1044S88.3Confident66.9Low9 Ų970.2 Ų70.26%0.06337%0.37CS..EExtended strand (participates in β ladder)trans-137.1166177.7600000111.5A407 L904 I905A407-S1044 CarbonylContact O-C 3.56Å; A407-S1044 WeakPolarHBondContact O-CA 3.5Å; A407-S1044 WeakPolarHBondContact O-CB 3.36Å; L904-S1044 CarbonylContact C-O 3.55Å; L904-S1044 WeakPolarHBondContact CA-O 3.25Å; I905-S1044 WeakPolarHBondContact CB-OG 3.34Å; I905-S1044 PolarHBondContact N-O 2.86Å; I905-S1044 PolarHBondContact O-N 2.94Å; I905-S1044 PolarHBondContact O-OG 2.9Å
1045I87.5Confident67.9Low2 Ų262.6 Ų62.61%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-134.6139.7-171.4-178174.9000110.9A407 C902 L904 I1047 I1176A407-I1045 HydrophobicContact CB-CG2 4.14Å; A407-I1045 PolarHBondContact N-O 2.73Å; A407-I1045 WeakPolarHBondContact O-CG2 3.41Å; A407-I1045 PolarHBondContact O-N 2.68Å; C902-I1045 HydrophobicContact CB-CD1 3.66Å; C902-I1045 HydrophobicContact CB-CG1 4.21Å; L904-I1045 HydrophobicContact CD2-CB 4.22Å; L904-I1045 HydrophobicContact CD2-CG1 4.35Å; I1045-I1047 HydrophobicContact CB-CG1 4.49Å; I1045-I1047 HydrophobicContact CD1-CD1 4.34Å; I1045-I1047 HydrophobicContact CD1-CG1 4.07Å; I1045-I1047 HydrophobicContact CG1-CG1 3.97Å; I1045-I1047 HydrophobicContact CG2-CD1 3.73Å; I1045-I1047 HydrophobicContact CG2-CG1 3.92Å; I1045-I1047 PolarHBondContact O-N 3.11Å; I1045-I1176 HydrophobicContact CD1-CG2 3.46Å; I1045-I1176 VanDerWaalsContact CD1-CG2 3.46Å
1046L87.3Confident69Low5 Ų557.3 Ų57.33%0.02631%0.312CS..  trans-8298.8171.9-171.970.6000109.9F406 I903 I905 T1136 I1137 L1140 L1169F406-L1046 HydrophobicContact CD1-CD1 4.03Å; F406-L1046 HydrophobicContact CE1-CD1 3.75Å; I903-L1046 HydrophobicContact CB-CB 4.14Å; I903-L1046 HydrophobicContact CD1-CD2 4.01Å; I903-L1046 HydrophobicContact CG2-CB 4.35Å; I903-L1046 PolarHBondContact O-N 2.88Å; I905-L1046 HydrophobicContact CD1-CB 4.09Å; L1046-T1136 HydrophobicContact CD1-CG2 3.87Å; L1046-T1136 HydrophobicContact CD2-CG2 4.11Å; L1046-T1136 HydrophobicContact CG-CG2 3.84Å; L1046-I1137 HydrophobicContact CD2-CD1 4.17Å; L1046-L1140 HydrophobicContact CD2-CD2 3.85Å; L1046-L1169 VanDerWaalsContact O-CD2 3.25Å; L1046-L1169 WeakPolarHBondContact O-CD2 3.4Å
1047I80.1Confident69.9Low30 Ų3059.8 Ų59.815%0.15431%0.312CS..  trans-106.9136.5174.5-61.2174.6000109.1A407 I1045 I1177 T1180A407-I1047 HydrophobicContact CB-CD1 4.27Å; I1045-I1047 HydrophobicContact CB-CG1 4.49Å; I1045-I1047 HydrophobicContact CD1-CD1 4.34Å; I1045-I1047 HydrophobicContact CD1-CG1 4.07Å; I1045-I1047 HydrophobicContact CG1-CG1 3.97Å; I1045-I1047 HydrophobicContact CG2-CD1 3.73Å; I1045-I1047 HydrophobicContact CG2-CG1 3.92Å; I1045-I1047 PolarHBondContact O-N 3.11Å; I1047-I1177 HydrophobicContact CG2-CG2 4.49Å; I1047-T1180 HydrophobicContact CD1-CG2 4.47Å
1048P79.5Confident70.6Confident0 Ų056.3 Ų56.30%028%0.281CS..  trans-72.9128.6173.5-1530.6000112.1K1050 Y1051 Q1132 T1136P1048-K1050 VanDerWaalsContact C-N 3.34Å; P1048-K1050 PolarHBondContact O-N 3.22Å; P1048-Y1051 HydrophobicContact CB-CD2 3.73Å; P1048-Y1051 HydrophobicContact CB-CE2 3.85Å; P1048-Y1051 HydrophobicContact CB-CG 4.23Å; P1048-Y1051 HydrophobicContact CG-CD1 4.27Å; P1048-Y1051 HydrophobicContact CG-CD2 3.98Å; P1048-Y1051 HydrophobicContact CG-CE1 4.13Å; P1048-Y1051 HydrophobicContact CG-CE2 3.82Å; P1048-Y1051 HydrophobicContact CG-CG 4.21Å; P1048-Y1051 WeakPolarHBondContact O-CB 3.5Å; P1048-Y1051 PolarHBondContact O-N 3.35Å; P1048-Q1132 HydrophobicContact CB-CG 3.65Å; P1048-T1136 WeakPolarHBondContact CA-OG1 3.25Å; P1048-T1136 WeakPolarHBondContact CB-OG1 3.39Å
1049D68.1Low70.9Confident124 Ų12456.2 Ų56.266%0.66328%0.279SS*.THydrogen-bonded Turntrans-43.5-49.8-168-50.8-39.4000115.3Y1051D1049-Y1051 VanDerWaalsContact C-N 3.29Å; D1049-Y1051 PolarHBondContact O-N 3.08Å
1050K70.3Confident70.8Confident110 Ų11057.7 Ų57.748%0.47828%0.28SS..THydrogen-bonded Turntrans-74.1-10.2-176.1-63.9-172.2-176.5172.80115.3P1048 R1052 E1053 L1054 Q1132P1048-K1050 VanDerWaalsContact C-N 3.34Å; P1048-K1050 PolarHBondContact O-N 3.22Å; K1050-R1052 VanDerWaalsContact C-N 3.28Å; K1050-R1052 PolarHBondContact O-N 3.22Å; K1050-E1053 PolarHBondContact O-N 3.29Å; K1050-L1054 PolarHBondContact O-N 3.24Å; K1050-Q1132 HydrophobicContact CB-CG 4.21Å
1051Y72.9Confident70.1Confident3 Ų359 Ų591%0.01229%0.285CS..Hα-helixtrans-63.3-38.8-178.9-83.6-145000110.8P1048 D1049 E1053 L1054 Y1055 M1129 Q1132 L1169 T1170 I1177P1048-Y1051 HydrophobicContact CB-CD2 3.73Å; P1048-Y1051 HydrophobicContact CB-CE2 3.85Å; P1048-Y1051 HydrophobicContact CB-CG 4.23Å; P1048-Y1051 HydrophobicContact CG-CD1 4.27Å; P1048-Y1051 HydrophobicContact CG-CD2 3.98Å; P1048-Y1051 HydrophobicContact CG-CE1 4.13Å; P1048-Y1051 HydrophobicContact CG-CE2 3.82Å; P1048-Y1051 HydrophobicContact CG-CG 4.21Å; P1048-Y1051 WeakPolarHBondContact O-CB 3.5Å; P1048-Y1051 PolarHBondContact O-N 3.35Å; D1049-Y1051 VanDerWaalsContact C-N 3.29Å; D1049-Y1051 PolarHBondContact O-N 3.08Å; Y1051-E1053 VanDerWaalsContact C-N 3.35Å; Y1051-E1053 PolarHBondContact O-N 3.45Å; Y1051-L1054 PolarHBondContact O-N 3.35Å; Y1051-Y1055 HydrophobicContact CD1-CE2 4.41Å; Y1051-Y1055 VanDerWaalsContact O-CD2 3.23Å; Y1051-Y1055 WeakPolarHBondContact O-CD2 3.43Å; Y1051-Y1055 PolarHBondContact O-N 3Å; Y1051-Y1055 VanDerWaalsContact O-N 3.08Å; Y1051-M1129 HydrophobicContact CD1-CE 4.12Å; Y1051-M1129 HydrophobicContact CE1-CE 3.49Å; Y1051-M1129 VanDerWaalsContact CE1-CE 3.49Å; Y1051-M1129 HydrophobicContact CE2-CB 4.07Å; Y1051-M1129 HydrophobicContact CE2-CE 4.5Å; Y1051-M1129 HydrophobicContact CE2-CG 3.98Å; Y1051-M1129 PolarHBondContact OH-O 3.28Å; Y1051-Q1132 HydrophobicContact CD2-CG 4.17Å; Y1051-Q1132 HydrophobicContact CE2-CB 4.11Å; Y1051-Q1132 HydrophobicContact CE2-CG 4.11Å; Y1051-L1169 VanDerWaalsContact CE1-O 3.31Å; Y1051-L1169 WeakPolarHBondContact CE1-O 3.3Å; Y1051-T1170 WeakPolarHBondContact OH-CG2 3.31Å; Y1051-I1177 HydrophobicContact CD1-CD1 3.94Å
1052R64.9Low68.7Low75 Ų7561.5 Ų61.528%0.28330%0.303SS..Hα-helixtrans-57.7-46.6177.4-176.8-173.5-68.9-97.25.5111.8K1050 L1054 Y1055 Q1056 T1180 N1181K1050-R1052 VanDerWaalsContact C-N 3.28Å; K1050-R1052 PolarHBondContact O-N 3.22Å; R1052-L1054 VanDerWaalsContact C-N 3.34Å; R1052-L1054 PolarHBondContact O-N 3.37Å; R1052-Y1055 PolarHBondContact O-N 2.89Å; R1052-Q1056 HydrophobicContact CG-CG 4.36Å; R1052-Q1056 VanDerWaalsContact O-CB 3.32Å; R1052-Q1056 WeakPolarHBondContact O-CB 3.34Å; R1052-Q1056 WeakPolarHBondContact O-CG 3.42Å; R1052-Q1056 PolarHBondContact O-N 3.06Å; R1052-T1180 PolarHBondContact NH2-OG1 3.34Å; R1052-N1181 VanDerWaalsContact NH1-CG 3.3Å; R1052-N1181 PolarHBondContact NH1-OD1 3.42Å
1053E65.3Low66.6Low130 Ų13063.8 Ų63.861%0.60731%0.313SS*.Hα-helixtrans-62.2-41.8178.8-62.7178.4170.600111.5K1050 Y1051 K1057K1050-E1053 PolarHBondContact O-N 3.29Å; Y1051-E1053 VanDerWaalsContact C-N 3.35Å; Y1051-E1053 PolarHBondContact O-N 3.45Å; E1053-K1057 VanDerWaalsContact O-CB 3.23Å; E1053-K1057 WeakPolarHBondContact O-CB 3.42Å; E1053-K1057 PolarHBondContact O-N 2.74Å
1054L63.8Low64Low33 Ų3368.8 Ų68.817%0.17334%0.342CS..Hα-helixtrans-62.8-46.6-179.9-15586.7000112K1050 Y1051 R1052 K1058 L1121 L1128 M1129K1050-L1054 PolarHBondContact O-N 3.24Å; Y1051-L1054 PolarHBondContact O-N 3.35Å; R1052-L1054 VanDerWaalsContact C-N 3.34Å; R1052-L1054 PolarHBondContact O-N 3.37Å; L1054-K1058 PolarHBondContact O-N 3.34Å; L1054-L1121 HydrophobicContact CD2-CD2 4.04Å; L1054-L1128 HydrophobicContact CD1-CD2 4.34Å; L1054-M1129 HydrophobicContact CD2-CG 4Å; L1054-M1129 HydrophobicContact CD2-SD 4.04Å
1055Y61.8Low61.2Low29 Ų2976.7 Ų76.711%0.11438%0.377CS..Hα-helixtrans-73.4-39.9179.1-74-70.7000112.8Y1051 R1052 K1057 K1058 M1059 P1174 I1177Y1051-Y1055 HydrophobicContact CD1-CE2 4.41Å; Y1051-Y1055 VanDerWaalsContact O-CD2 3.23Å; Y1051-Y1055 WeakPolarHBondContact O-CD2 3.43Å; Y1051-Y1055 PolarHBondContact O-N 3Å; Y1051-Y1055 VanDerWaalsContact O-N 3.08Å; R1052-Y1055 PolarHBondContact O-N 2.89Å; Y1055-K1057 VanDerWaalsContact C-N 3.31Å; Y1055-K1057 PolarHBondContact O-N 2.74Å; Y1055-K1058 PolarHBondContact O-N 3.49Å; Y1055-M1059 PolarHBondContact O-N 3.35Å; Y1055-P1174 HydrophobicContact CD1-CB 3.78Å; Y1055-P1174 HydrophobicContact CE1-CB 3.69Å; Y1055-P1174 HydrophobicContact CE1-CG 4.43Å; Y1055-P1174 HydrophobicContact CG-CB 4.37Å; Y1055-I1177 HydrophobicContact CD2-CB 4.49Å; Y1055-I1177 HydrophobicContact CD2-CD1 3.75Å; Y1055-I1177 HydrophobicContact CD2-CG2 4.16Å; Y1055-I1177 HydrophobicContact CE2-CD1 3.38Å
1056Q62.5Low58.3Low88 Ų8882.5 Ų82.541%0.41141%0.413SS..Hα-helixtrans-61.5-40.2173.7-77.8-175.9-34.800111.8R1052 M1059 L1060R1052-Q1056 HydrophobicContact CG-CG 4.36Å; R1052-Q1056 VanDerWaalsContact O-CB 3.32Å; R1052-Q1056 WeakPolarHBondContact O-CB 3.34Å; R1052-Q1056 WeakPolarHBondContact O-CG 3.42Å; R1052-Q1056 PolarHBondContact O-N 3.06Å; Q1056-M1059 PolarHBondContact O-N 3.25Å; Q1056-L1060 PolarHBondContact O-N 3.04Å
1057K61.4Low55.4Low134 Ų13489.6 Ų89.658%0.58345%0.449SS*.Hα-helixtrans-60.9-45.6175.5-171.2-177.7175.7-169.80111.5E1053 Y1055 M1059 L1060 D1061E1053-K1057 VanDerWaalsContact O-CB 3.23Å; E1053-K1057 WeakPolarHBondContact O-CB 3.42Å; E1053-K1057 PolarHBondContact O-N 2.74Å; Y1055-K1057 VanDerWaalsContact C-N 3.31Å; Y1055-K1057 PolarHBondContact O-N 2.74Å; K1057-M1059 VanDerWaalsContact C-N 3.32Å; K1057-M1059 PolarHBondContact O-N 3.43Å; K1057-L1060 WeakPolarHBondContact O-CB 3.12Å; K1057-L1060 PolarHBondContact O-N 3.47Å; K1057-D1061 WeakPolarHBondContact O-CB 3.47Å; K1057-D1061 VanDerWaalsContact O-CG 3.27Å; K1057-D1061 PolarHBondContact O-N 2.89Å
1058K56.2Low52.7Low52 Ų5294.4 Ų94.423%0.22648%0.48CS..Hα-helixtrans-64.1-34.2175.4-73.6-165176.2-1750113.4L1054 Y1055 L1060 D1061 S1062 S1120 E1125L1054-K1058 PolarHBondContact O-N 3.34Å; Y1055-K1058 PolarHBondContact O-N 3.49Å; K1058-L1060 VanDerWaalsContact C-N 3.34Å; K1058-D1061 PolarHBondContact O-N 2.9Å; K1058-S1062 PolarHBondContact O-N 3.29Å; K1058-S1062 PolarHBondContact O-OG 2.79Å; K1058-S1120 PolarHBondContact NZ-O 2.83Å; K1058-E1125 WeakPolarHBondContact CE-OE1 3.45Å; K1058-E1125 WeakPolarHBondContact CE-OE2 3.27Å; K1058-E1125 IonicContact NZ-OE1 3.05Å; K1058-E1125 PolarHBondContact NZ-OE1 3.39Å; K1058-E1125 IonicContact NZ-OE2 3.14Å; K1058-E1125 PolarHBondContact NZ-OE2 3.19Å
1059M52.6Low50Low117 Ų11798.9 Ų98.958%0.57651%0.511SS*.Hα-helixtrans-69.3-32175.7-160.4176.3-173.800112.5Y1055 Q1056 K1057 S1062 N1063Y1055-M1059 PolarHBondContact O-N 3.35Å; Q1056-M1059 PolarHBondContact O-N 3.25Å; K1057-M1059 VanDerWaalsContact C-N 3.32Å; K1057-M1059 PolarHBondContact O-N 3.43Å; M1059-S1062 WeakPolarHBondContact CA-OG 3.44Å; M1059-S1062 PolarHBondContact O-OG 2.69Å; M1059-N1063 VanDerWaalsContact O-CG 3.23Å; M1059-N1063 PolarHBondContact O-N 2.59Å; M1059-N1063 PolarHBondContact O-ND2 3.27Å
1060L52.3Low48Very low112 Ų112100.2 Ų100.259%0.58652%0.518SS*.Hα-helixtrans-72-44.7170-78.7156.7000111.8Q1056 K1057 K1058 S1062 N1063 N1064Q1056-L1060 PolarHBondContact O-N 3.04Å; K1057-L1060 WeakPolarHBondContact O-CB 3.12Å; K1057-L1060 PolarHBondContact O-N 3.47Å; K1058-L1060 VanDerWaalsContact C-N 3.34Å; L1060-S1062 VanDerWaalsContact C-N 3.31Å; L1060-S1062 PolarHBondContact O-N 3.35Å; L1060-N1063 PolarHBondContact O-N 2.88Å; L1060-N1063 VanDerWaalsContact O-N 3.12Å; L1060-N1064 PolarHBondContact O-N 2.68Å; L1060-N1064 PolarHBondContact O-ND2 3.17Å
1061D49.4Very low45.6Very low82 Ų8299.2 Ų99.244%0.43953%0.525SS..Hα-helixtrans-63.7-35.1179-68.7-25.8000111.5K1057 K1058K1057-D1061 WeakPolarHBondContact O-CB 3.47Å; K1057-D1061 VanDerWaalsContact O-CG 3.27Å; K1057-D1061 PolarHBondContact O-N 2.89Å; K1058-D1061 PolarHBondContact O-N 2.9Å
1062S46.1Very low43.3Very low71 Ų71105.9 Ų105.950%0.49756%0.561SS.*Hα-helixtrans-68.6-30.9172.856.20000113.8K1058 M1059 L1060K1058-S1062 PolarHBondContact O-N 3.29Å; K1058-S1062 PolarHBondContact O-OG 2.79Å; M1059-S1062 WeakPolarHBondContact CA-OG 3.44Å; M1059-S1062 PolarHBondContact O-OG 2.69Å; L1060-S1062 VanDerWaalsContact C-N 3.31Å; L1060-S1062 PolarHBondContact O-N 3.35Å
1063N40.3Very low41.2Very low111 Ų111107.8 Ų107.859%0.59458%0.581SS**Hα-helixtrans-79.9-16.7-178.4-73.4-4.8000113.3M1059 L1060 H1065M1059-N1063 VanDerWaalsContact O-CG 3.23Å; M1059-N1063 PolarHBondContact O-N 2.59Å; M1059-N1063 PolarHBondContact O-ND2 3.27Å; L1060-N1063 PolarHBondContact O-N 2.88Å; L1060-N1063 VanDerWaalsContact O-N 3.12Å; N1063-H1065 PolarHBondContact O-N 3.15Å
1064N33.3Very low39.2Very low127 Ų127110.3 Ų110.368%0.67959%0.593SS**THydrogen-bonded Turntrans-79.41.3177.7-73.1-33.2000114.3L1060L1060-N1064 PolarHBondContact O-N 2.68Å; L1060-N1064 PolarHBondContact O-ND2 3.17Å
1065H29.2Very low37Very low176 Ų176115 Ų11582%0.81562%0.622SS**  trans-104.449173.9-81.3-57.8000113.2N1063N1063-H1065 PolarHBondContact O-N 3.15Å
1066T27.2Very low35.1Very low123 Ų123119.5 Ų119.576%0.75565%0.653SS**SBendtrans-126.7135.1162.9-42.50000111.8
1067I26.4Very low33Very low155 Ų155120.6 Ų120.680%0.79567%0.67SS**  trans-58.5142.3-167.8-72.3156.5000114
1068V22.4Very low31.1Very low130 Ų130119 Ų11979%0.78868%0.676SS**  trans-72.1150.1168173.10000110.4
1069S23.6Very low29.3Very low95 Ų95122 Ų12266%0.66470%0.704SS**  trans69135.9-177.865.80000115.1
1070D26Very low27.9Very low151 Ų151121.8 Ų121.881%0.80771%0.713SS**  cis-130.3159.813.1-92.2-47.1000114.5
1071S20.1Very low26.4Very low90 Ų90122.6 Ų122.663%0.62972%0.723SS**  trans-68138.1163.749.90000111.8
1072N23.5Very low25.3Very low143 Ų143130.3 Ų130.377%0.76575%0.746SS**  177.2130.8117.7-88.3-28.4000114.5
1073T22.6Very low24.1Very low114 Ų114133.9 Ų133.970%0.69976%0.76SS**  trans48.7122.8142.357.70000122.8
1074E21.4Very low23.1Very low183 Ų183134.2 Ų134.286%0.85577%0.77SS**  trans95.1127132.7-74.4177.2-17000121.1
1075V18.4Very low22.5Very low131 Ų131132.7 Ų132.779%0.79477%0.769SS**  trans-88.9117.3179.61730000108.4
1076V22.5Very low22.2Very low125 Ų125131.4 Ų131.476%0.75877%0.768SS**  trans-128.199.4161.8-1780000109.3
1077S17.3Very low22Very low111 Ų111133 Ų13378%0.77677%0.77SS**  trans-86.6107.1166.4-53.80000109.1
1078S21.5Very low21.8Very low99 Ų99131.6 Ų131.669%0.69277%0.771SS**  trans-163.2137155.344.50000114.1
1079S18.4Very low21.9Very low116 Ų116131.8 Ų131.881%0.81177%0.772SS**  trans-53.3140169.4500000114.5
1080S24.1Very low21.8Very low112 Ų112136.3 Ų136.378%0.78378%0.78SS**  trans-156.7131.2130.949.10000111.6
1081T19.9Very low21.5Very low129 Ų129137.4 Ų137.479%0.79179%0.785SS**  trans-70.9137.6172.144.40000110.3
1082R27.1Very low21.6Very low245 Ų245141.8 Ų141.893%0.92580%0.795SS**  trans-135.8106.4163.7-90.4-172.4172.5160.2-0.3109.8
1083D20Very low21.5Very low146 Ų146143.7 Ų143.778%0.78180%0.8SS**  trans-76.5173.4170.3-64.5-63.5000112.4
1084C20.1Very low21.5Very low118 Ų118144.8 Ų144.880%0.79781%0.811SS**  trans94.9117.6154.3-63.30000120.6
1085S21.9Very low21.5Very low95 Ų95141 Ų14166%0.66480%0.803SS**  trans79.3105.4130.762.60000121.4
1086D21.3Very low21.6Very low149 Ų149141.8 Ų141.880%0.79780%0.803SS**  58.3101.9115.2-51.9-33.6000120.9
1087I23.8Very low21.8Very low156 Ų156144 Ų14480%0.881%0.811SS**  trans-138.5101.6148.1-53.4179.5000109.8V1089I1087-V1089 HydrophobicContact CG2-CG2 4.17Å
1088P21.9Very low21.9Very low126 Ų126145.5 Ų145.582%0.81881%0.808SS**  trans-90.8120.7173.232.7-29.7000111.3
1089V25.2Very low22.1Very low133 Ų133147.9 Ų147.981%0.80681%0.813SS**  trans-107.5130.7175.7-177.80000110.1I1087I1087-V1089 HydrophobicContact CG2-CG2 4.17Å
1090K20.3Very low22.3Very low190 Ų190148.2 Ų148.283%0.82681%0.806SS**  trans-69.7145.5-174-72.2175172.2177.90113
1091L20.3Very low22.4Very low174 Ų174150.6 Ų150.691%0.91181%0.81SS**  trans-75.3139.8154.5-83.2118.1000110.2
1092E23Very low22.6Very low183 Ų183149.7 Ų149.786%0.85581%0.806SS**  trans-120.4145.2160.5-77.2-171.1158.700110
1093E20.8Very low22.5Very low183 Ų183145.5 Ų145.586%0.85580%0.8SS**  trans-85.6143.2-173.5-58169.5139.100110.9
1094C22Very low22.9Very low137 Ų137145 Ų14593%0.92680%0.798SS**  trans-133.3115.9164.5-87.90000110
1095C21.5Very low23Very low104 Ų104146.3 Ų146.370%0.70380%0.797SS**  trans-89.5148.7-175.9-71.40000112.7
1096N20.5Very low23.4Very low147 Ų147149.9 Ų149.979%0.78681%0.808SS**  trans49.5119144.9-56.4-23.2000119.4
1097N26.7Very low23.5Very low172 Ų172151.6 Ų151.692%0.9281%0.812SS**  trans-147.7148.6132.3-128.7-23.8000113.9
1098I20.4Very low23.7Very low142 Ų142149.3 Ų149.373%0.72881%0.809SS**  trans-111.8129.4-172.7-65.5158.6000108.2
1099N25.6Very low23.8Very low148 Ų148151.8 Ų151.879%0.79181%0.808SS**  -167.4162.7129.7-121.2-39.5000116.4
1100N23Very low23.9Very low124 Ų124151.4 Ų151.466%0.66381%0.805SS**  trans-86.3152.9-175.6-50.7-87.6000112.3
1101N25.4Very low24.1Very low161 Ų161149.2 Ų149.286%0.86180%0.803SS**  -177.9132.7123.3-88.9-23.5000111.2
1102P23.8Very low24.4Very low110 Ų110146.7 Ų146.771%0.71480%0.795SS**  trans-94.8154.8170.237.3-32.2000111.8
1103I25.5Very low24.7Very low157 Ų157143.6 Ų143.681%0.80579%0.793SS**  trans-176135.1148.7-99.6151000110.5
1104D27.2Very low24.9Very low137 Ų137141 Ų14173%0.73379%0.785SS**  trans46.5107.6158.1-54.5-5.3000122.4
1105D24Very low25Very low145 Ų145140.4 Ų140.478%0.77577%0.772SS**  32.4115.1124.1-59.8-14.7000120
1106N29Very low25.3Very low169 Ų169142.5 Ų142.590%0.90478%0.777SS**  -161.1132.5124.3-100.6-66.5000111.1
1107E23.4Very low25.6Very low186 Ų186145.1 Ų145.187%0.86978%0.781SS**  trans-82.5116.6-179.4-65.9-173.5118.200112.4
1108S28.1Very low25.8Very low107 Ų107144 Ų14475%0.74877%0.773SS**  trans-14789.1151.8660000110.3T1110S1108-T1110 PolarHBondContact O-N 3.16Å; S1108-T1110 VanDerWaalsContact O-N 3.12Å
1109K24.4Very low26.8Very low179 Ų179140.3 Ų140.378%0.77876%0.761SS**  trans-68.3104.7174.4-73.8177.7178.3169.20111
1110T27.5Very low27.9Very low124 Ų124138.5 Ų138.576%0.76176%0.76SS**  trans-93.990.6155.649.10000108.6S1108 V1112S1108-T1110 PolarHBondContact O-N 3.16Å; S1108-T1110 VanDerWaalsContact O-N 3.12Å; T1110-V1112 PolarHBondContact O-N 3.29Å
1111D24.4Very low29.6Very low145 Ų145135 Ų13578%0.77574%0.74SS**  trans-69.5113.9174.7-76.7-39000109.8S1113D1111-S1113 PolarHBondContact O-N 2.77Å
1112V26.4Very low32Very low121 Ų121130.8 Ų130.873%0.73372%0.721SS**  trans-80.1100.6177178.20000109T1110 N1114T1110-V1112 PolarHBondContact O-N 3.29Å; V1112-N1114 PolarHBondContact O-N 3.34Å
1113S28.3Very low34.4Very low117 Ų117131.9 Ų131.982%0.81872%0.721SS**  trans-81.595.7174.961.30000111.2D1111D1111-S1113 PolarHBondContact O-N 2.77Å
1114N25.5Very low36.8Very low130 Ų130130.6 Ų130.670%0.69572%0.715SS**  trans-74.6131.7172.6-90.76000112.5V1112V1112-N1114 PolarHBondContact O-N 3.34Å
1115D25.3Very low39.1Very low123 Ų123126 Ų12666%0.65869%0.69SS**  trans41.689.7144.2-60.4-43.1000119.5
1116N26.9Very low41.6Very low149 Ų149122.1 Ų122.180%0.79767%0.671SS**  trans-138.398.7142.3-93.4-52.7000109I1118N1116-I1118 PolarHBondContact O-N 3.1Å
1117K27.3Very low44Very low202 Ų202119 Ų11988%0.87865%0.654SS**  trans-75.341.6-178.9-70.8-176.7177.1175.90113.7
1118I30.8Very low46.8Very low147 Ų147113.9 Ų113.975%0.75463%0.632SS**SBendtrans-82.2122.2160.4-62.7179.4000106.1N1116 S1120N1116-I1118 PolarHBondContact O-N 3.1Å; I1118-S1120 PolarHBondContact O-N 3.39Å
1119S41.4Very low49.3Very low66 Ų66109.1 Ų109.146%0.46260%0.598SS.*  trans-46.1123.3-173.747.40000112.3L1121S1119-L1121 VanDerWaalsContact C-N 3.28Å; S1119-L1121 PolarHBondContact O-N 3.33Å
1120S48.1Very low52.1Low110 Ų110102.2 Ų102.277%0.76957%0.571SS**  trans-65.290.8171.556.40000109K1058 I1118K1058-S1120 PolarHBondContact NZ-O 2.83Å; I1118-S1120 PolarHBondContact O-N 3.39Å
1121L59.7Low54.8Low49 Ų49101.6 Ų101.626%0.25756%0.559SS.*  trans-71.2130.6160-74.7143.1000107.3L1054 S1119 E1125 V1126 M1129L1054-L1121 HydrophobicContact CD2-CD2 4.04Å; S1119-L1121 VanDerWaalsContact C-N 3.28Å; S1119-L1121 PolarHBondContact O-N 3.33Å; L1121-E1125 VanDerWaalsContact CA-OE2 3.25Å; L1121-E1125 WeakPolarHBondContact CA-OE2 3.24Å; L1121-E1125 HydrophobicContact CB-CB 4.37Å; L1121-E1125 HydrophobicContact CD2-CB 3.82Å; L1121-V1126 HydrophobicContact CB-CG2 3.75Å; L1121-M1129 HydrophobicContact CD1-SD 4.22Å; L1121-M1129 HydrophobicContact CD2-SD 3.79Å
1122T74.6Confident57.7Low74 Ų7495.5 Ų95.545%0.45453%0.526SS..  trans-66.8156.3171.368.70000109.1D1124 E1125 V1126T1122-D1124 PolarHBondContact O-N 2.81Å; T1122-E1125 PolarHBondContact N-OE2 3.45Å; T1122-E1125 WeakPolarHBondContact O-CB 3.44Å; T1122-E1125 PolarHBondContact O-N 2.81Å; T1122-E1125 WeakPolarHBondContact OG1-CG 3.5Å; T1122-E1125 PolarHBondContact OG1-N 3.26Å; T1122-E1125 VanDerWaalsContact OG1-N 3.14Å; T1122-V1126 PolarHBondContact O-N 3.35Å
1123N73.7Confident60.5Low133 Ų13389.7 Ų89.771%0.71149%0.491SS*.Hα-helixtrans-55.6-36.9175.8-67.4-25000111.1E1125 V1126 D1127N1123-E1125 PolarHBondContact O-N 3.23Å; N1123-V1126 PolarHBondContact O-N 3.18Å; N1123-D1127 PolarHBondContact O-N 3.36Å
1124D76.3Confident63.3Low129 Ų12987.1 Ų87.169%0.6947%0.465SS*.Hα-helixtrans-63.6-38.2175.5-53-28.9000112.8T1122 L1128T1122-D1124 PolarHBondContact O-N 2.81Å; D1124-L1128 VanDerWaalsContact O-CB 3.27Å; D1124-L1128 WeakPolarHBondContact O-CB 3.17Å; D1124-L1128 PolarHBondContact O-N 3.15Å
1125E76.3Confident66.2Low42 Ų4288.2 Ų88.220%0.19646%0.46CS..Hα-helixtrans-68.9-38.8174-73.8175.6140.600111.7K1058 L1121 T1122 N1123 L1128 M1129K1058-E1125 WeakPolarHBondContact CE-OE1 3.45Å; K1058-E1125 WeakPolarHBondContact CE-OE2 3.27Å; K1058-E1125 IonicContact NZ-OE1 3.05Å; K1058-E1125 PolarHBondContact NZ-OE1 3.39Å; K1058-E1125 IonicContact NZ-OE2 3.14Å; K1058-E1125 PolarHBondContact NZ-OE2 3.19Å; L1121-E1125 VanDerWaalsContact CA-OE2 3.25Å; L1121-E1125 WeakPolarHBondContact CA-OE2 3.24Å; L1121-E1125 HydrophobicContact CB-CB 4.37Å; L1121-E1125 HydrophobicContact CD2-CB 3.82Å; T1122-E1125 PolarHBondContact N-OE2 3.45Å; T1122-E1125 WeakPolarHBondContact O-CB 3.44Å; T1122-E1125 PolarHBondContact O-N 2.81Å; T1122-E1125 WeakPolarHBondContact OG1-CG 3.5Å; T1122-E1125 PolarHBondContact OG1-N 3.26Å; T1122-E1125 VanDerWaalsContact OG1-N 3.14Å; N1123-E1125 PolarHBondContact O-N 3.23Å; E1125-L1128 PolarHBondContact O-N 3.4Å; E1125-M1129 WeakPolarHBondContact O-CB 3.42Å; E1125-M1129 WeakPolarHBondContact O-CG 3.31Å; E1125-M1129 PolarHBondContact O-N 3.15Å
1126V76.4Confident69.1Low62 Ų6282.9 Ų82.938%0.37643%0.432SS..Hα-helixtrans-64.8-45.4175.2177.60000110.6L1121 T1122 N1123 L1128 M1129 V1130L1121-V1126 HydrophobicContact CB-CG2 3.75Å; T1122-V1126 PolarHBondContact O-N 3.35Å; N1123-V1126 PolarHBondContact O-N 3.18Å; V1126-L1128 PolarHBondContact O-N 3.48Å; V1126-M1129 WeakPolarHBondContact O-CB 3.39Å; V1126-M1129 PolarHBondContact O-N 2.7Å; V1126-V1130 HydrophobicContact CG1-CG2 4.47Å; V1126-V1130 VanDerWaalsContact O-CG2 3.26Å; V1126-V1130 WeakPolarHBondContact O-CG2 3.35Å; V1126-V1130 PolarHBondContact O-N 3.37Å
1127D79.1Confident72.1Confident103 Ų10375.8 Ų75.855%0.55139%0.394SS*.Hα-helixtrans-63.1-41.2176.1-83.2-24.8000111.5N1123 M1129 V1130 E1131N1123-D1127 PolarHBondContact O-N 3.36Å; D1127-M1129 PolarHBondContact O-N 3.46Å; D1127-V1130 PolarHBondContact O-N 3.26Å; D1127-E1131 WeakPolarHBondContact O-CG 2.9Å; D1127-E1131 PolarHBondContact O-N 3.01Å
1128L82.3Confident75Confident80 Ų8068.5 Ų68.542%0.41936%0.364SS..Hα-helixtrans-61.1-42.1172.5179.664.1000112.2L1054 D1124 E1125 V1126 V1130 E1131 Q1132L1054-L1128 HydrophobicContact CD1-CD2 4.34Å; D1124-L1128 VanDerWaalsContact O-CB 3.27Å; D1124-L1128 WeakPolarHBondContact O-CB 3.17Å; D1124-L1128 PolarHBondContact O-N 3.15Å; E1125-L1128 PolarHBondContact O-N 3.4Å; V1126-L1128 PolarHBondContact O-N 3.48Å; L1128-V1130 VanDerWaalsContact C-N 3.34Å; L1128-E1131 PolarHBondContact O-N 2.85Å; L1128-Q1132 VanDerWaalsContact O-CB 3.29Å; L1128-Q1132 WeakPolarHBondContact O-CB 3.22Å; L1128-Q1132 PolarHBondContact O-N 3.07Å
1129M80.5Confident77.6Confident7 Ų764 Ų643%0.03435%0.345CS..Hα-helixtrans-62.5-40.6174.6-79.4-179.474.500111.7Y1051 L1054 L1121 E1125 V1126 D1127 A1133 T1170Y1051-M1129 HydrophobicContact CD1-CE 4.12Å; Y1051-M1129 HydrophobicContact CE1-CE 3.49Å; Y1051-M1129 VanDerWaalsContact CE1-CE 3.49Å; Y1051-M1129 HydrophobicContact CE2-CB 4.07Å; Y1051-M1129 HydrophobicContact CE2-CE 4.5Å; Y1051-M1129 HydrophobicContact CE2-CG 3.98Å; Y1051-M1129 PolarHBondContact OH-O 3.28Å; L1054-M1129 HydrophobicContact CD2-CG 4Å; L1054-M1129 HydrophobicContact CD2-SD 4.04Å; L1121-M1129 HydrophobicContact CD1-SD 4.22Å; L1121-M1129 HydrophobicContact CD2-SD 3.79Å; E1125-M1129 WeakPolarHBondContact O-CB 3.42Å; E1125-M1129 WeakPolarHBondContact O-CG 3.31Å; E1125-M1129 PolarHBondContact O-N 3.15Å; V1126-M1129 WeakPolarHBondContact O-CB 3.39Å; V1126-M1129 PolarHBondContact O-N 2.7Å; D1127-M1129 PolarHBondContact O-N 3.46Å; M1129-A1133 VanDerWaalsContact O-CB 3.3Å; M1129-A1133 WeakPolarHBondContact O-CB 3.37Å; M1129-A1133 PolarHBondContact O-N 3.14Å; M1129-T1170 HydrophobicContact CB-CG2 4.4Å
1130V83.5Confident79.9Confident33 Ų3360.9 Ų60.920%0.232%0.324CS..Hα-helixtrans-66.9-42.2176.3169.50000111.4V1126 D1127 L1128 K1134 I1166 T1170V1126-V1130 HydrophobicContact CG1-CG2 4.47Å; V1126-V1130 VanDerWaalsContact O-CG2 3.26Å; V1126-V1130 WeakPolarHBondContact O-CG2 3.35Å; V1126-V1130 PolarHBondContact O-N 3.37Å; D1127-V1130 PolarHBondContact O-N 3.26Å; L1128-V1130 VanDerWaalsContact C-N 3.34Å; V1130-K1134 HydrophobicContact CG1-CD 4.36Å; V1130-K1134 VanDerWaalsContact CG1-CE 3.5Å; V1130-K1134 VanDerWaalsContact O-CG 3.28Å; V1130-K1134 WeakPolarHBondContact O-CG 3.49Å; V1130-K1134 PolarHBondContact O-N 2.83Å; V1130-I1166 HydrophobicContact CG1-CG2 4.4Å; V1130-T1170 HydrophobicContact CB-CG2 4.32Å; V1130-T1170 HydrophobicContact CG2-CG2 3.75Å
1131E84.4Confident81.7Confident111 Ų11157 Ų5752%0.51929%0.293SS..Hα-helixtrans-64.7-44.9174.8-70.9-141.9134.600112.2D1127 L1128 A1133 K1134 W1135D1127-E1131 WeakPolarHBondContact O-CG 2.9Å; D1127-E1131 PolarHBondContact O-N 3.01Å; L1128-E1131 PolarHBondContact O-N 2.85Å; E1131-A1133 PolarHBondContact O-N 2.79Å; E1131-K1134 WeakPolarHBondContact O-CB 3.3Å; E1131-K1134 PolarHBondContact O-N 3.49Å; E1131-W1135 WeakPolarHBondContact O-CB 3.31Å; E1131-W1135 PolarHBondContact O-N 2.97Å
1132Q84.6Confident82.8Confident17 Ų1757.7 Ų57.78%0.07931%0.306CS..Hα-helixtrans-66.7-36.2178.4-175.367.444.500111.7P1048 K1050 Y1051 L1128 W1135 T1136P1048-Q1132 HydrophobicContact CB-CG 3.65Å; K1050-Q1132 HydrophobicContact CB-CG 4.21Å; Y1051-Q1132 HydrophobicContact CD2-CG 4.17Å; Y1051-Q1132 HydrophobicContact CE2-CB 4.11Å; Y1051-Q1132 HydrophobicContact CE2-CG 4.11Å; L1128-Q1132 VanDerWaalsContact O-CB 3.29Å; L1128-Q1132 WeakPolarHBondContact O-CB 3.22Å; L1128-Q1132 PolarHBondContact O-N 3.07Å; Q1132-W1135 PolarHBondContact O-N 3.45Å; Q1132-T1136 PolarHBondContact O-N 3.08Å; Q1132-T1136 PolarHBondContact O-OG1 3.31Å
1133A86.5Confident83.2Confident0 Ų054.4 Ų54.40%029%0.286CS..Hα-helixtrans-65.5-41.6172.600000112.7M1129 E1131 T1136 I1137 I1166 L1169 T1170M1129-A1133 VanDerWaalsContact O-CB 3.3Å; M1129-A1133 WeakPolarHBondContact O-CB 3.37Å; M1129-A1133 PolarHBondContact O-N 3.14Å; E1131-A1133 PolarHBondContact O-N 2.79Å; A1133-T1136 PolarHBondContact O-N 2.86Å; A1133-I1137 WeakPolarHBondContact O-CG1 3.22Å; A1133-I1137 PolarHBondContact O-N 3.27Å; A1133-I1137 VanDerWaalsContact O-N 3.17Å; A1133-I1166 HydrophobicContact CB-CG2 4.2Å; A1133-L1169 HydrophobicContact CB-CB 3.88Å; A1133-L1169 HydrophobicContact CB-CD1 4.37Å; A1133-T1170 HydrophobicContact CB-CG2 3.95Å
1134K87.2Confident83.9Confident62 Ų6248.1 Ų48.127%0.2725%0.252SS..Hα-helixtrans-57.3-50.3171.4-71.5161.7-172.11620110.5V1130 E1131 T1136 I1137 D1138 I1166V1130-K1134 HydrophobicContact CG1-CD 4.36Å; V1130-K1134 VanDerWaalsContact CG1-CE 3.5Å; V1130-K1134 VanDerWaalsContact O-CG 3.28Å; V1130-K1134 WeakPolarHBondContact O-CG 3.49Å; V1130-K1134 PolarHBondContact O-N 2.83Å; E1131-K1134 WeakPolarHBondContact O-CB 3.3Å; E1131-K1134 PolarHBondContact O-N 3.49Å; K1134-T1136 PolarHBondContact O-N 3.13Å; K1134-I1137 PolarHBondContact O-N 3.1Å; K1134-D1138 PolarHBondContact O-N 3.14Å; K1134-I1166 HydrophobicContact CG-CD1 3.69Å; K1134-I1166 HydrophobicContact CG-CG1 4.18Å; K1134-I1166 HydrophobicContact CG-CG2 4.27Å
1135W84.8Confident84.1Confident153 Ų15342.5 Ų42.558%0.5822%0.222SC*.Hα-helixtrans-57.2-46.3179.9178.5-97.2000112.6E1131 Q1132 I1137 D1138 C1139E1131-W1135 WeakPolarHBondContact O-CB 3.31Å; E1131-W1135 PolarHBondContact O-N 2.97Å; Q1132-W1135 PolarHBondContact O-N 3.45Å; W1135-I1137 PolarHBondContact O-N 3.36Å; W1135-D1138 WeakPolarHBondContact O-CB 3.4Å; W1135-D1138 PolarHBondContact O-N 3.38Å; W1135-D1138 VanDerWaalsContact O-N 3.13Å; W1135-C1139 PolarHBondContact NE1-SG 3.07Å; W1135-C1139 VanDerWaalsContact NE1-SG 3.44Å; W1135-C1139 PolarHBondContact O-N 3.08Å; W1135-C1139 PolarHBondContact O-SG 3.41Å; W1135-C1139 VanDerWaalsContact O-SG 3.42Å
1136T87.6Confident84.1Confident11 Ų1142.8 Ų42.87%0.06723%0.228CC..Hα-helixtrans-63.5-39177.9-68.40000112.6L1046 P1048 Q1132 A1133 K1134 C1139 L1140L1046-T1136 HydrophobicContact CD1-CG2 3.87Å; L1046-T1136 HydrophobicContact CD2-CG2 4.11Å; L1046-T1136 HydrophobicContact CG-CG2 3.84Å; P1048-T1136 WeakPolarHBondContact CA-OG1 3.25Å; P1048-T1136 WeakPolarHBondContact CB-OG1 3.39Å; Q1132-T1136 PolarHBondContact O-N 3.08Å; Q1132-T1136 PolarHBondContact O-OG1 3.31Å; A1133-T1136 PolarHBondContact O-N 2.86Å; K1134-T1136 PolarHBondContact O-N 3.13Å; T1136-C1139 PolarHBondContact O-N 3.1Å; T1136-L1140 PolarHBondContact O-N 3.24Å
1137I88.7Confident84Confident1 Ų142.3 Ų42.31%0.00522%0.219CC..Hα-helixtrans-66.8-37.6172.7-63.6-64.3000111.3I903 L1046 A1133 K1134 W1135 L1140 E1141 I1158 R1162 L1165 I1166 L1169I903-I1137 HydrophobicContact CD1-CD1 4.04Å; L1046-I1137 HydrophobicContact CD2-CD1 4.17Å; A1133-I1137 WeakPolarHBondContact O-CG1 3.22Å; A1133-I1137 PolarHBondContact O-N 3.27Å; A1133-I1137 VanDerWaalsContact O-N 3.17Å; K1134-I1137 PolarHBondContact O-N 3.1Å; W1135-I1137 PolarHBondContact O-N 3.36Å; I1137-L1140 PolarHBondContact O-N 2.93Å; I1137-E1141 WeakPolarHBondContact O-CB 3.43Å; I1137-E1141 PolarHBondContact O-N 2.96Å; I1137-I1158 HydrophobicContact CG2-CG2 3.79Å; I1137-R1162 HydrophobicContact CG2-CG 4.26Å; I1137-L1165 HydrophobicContact CD1-CB 4.06Å; I1137-L1165 HydrophobicContact CD1-CD1 4.41Å; I1137-I1166 HydrophobicContact CG1-CG1 4.49Å; I1137-L1169 HydrophobicContact CD1-CD1 3.68Å; I1137-L1169 HydrophobicContact CG1-CD1 3.76Å
1138D87.7Confident83.9Confident48 Ų4837.4 Ų37.426%0.25719%0.193SC..Hα-helixtrans-64.7-42.2174.4-77.2-46.2000112.8K1134 W1135 E1141 A1142 R1162K1134-D1138 PolarHBondContact O-N 3.14Å; W1135-D1138 WeakPolarHBondContact O-CB 3.4Å; W1135-D1138 PolarHBondContact O-N 3.38Å; W1135-D1138 VanDerWaalsContact O-N 3.13Å; D1138-E1141 PolarHBondContact O-N 2.85Å; D1138-A1142 WeakPolarHBondContact O-CB 3.34Å; D1138-A1142 PolarHBondContact O-N 3Å; D1138-R1162 IonicContact OD1-CZ 3.89Å; D1138-R1162 VanDerWaalsContact OD1-CZ 3.23Å; D1138-R1162 IonicContact OD1-NH1 2.86Å; D1138-R1162 PolarHBondContact OD1-NH1 3.47Å; D1138-R1162 IonicContact OD1-NH2 3.73Å; D1138-R1162 PolarHBondContact OD1-NH2 2.84Å; D1138-R1162 IonicContact OD2-CZ 3.76Å; D1138-R1162 IonicContact OD2-NH1 3.75Å; D1138-R1162 IonicContact OD2-NH2 2.7Å; D1138-R1162 PolarHBondContact OD2-NH2 3.13Å
1139C85.8Confident83.6Confident52 Ų5236 Ų3635%0.35119%0.186SC..Hα-helixtrans-61.6-45.7174.5-72.40000111.8W1135 T1136 A1142 S1143W1135-C1139 PolarHBondContact NE1-SG 3.07Å; W1135-C1139 VanDerWaalsContact NE1-SG 3.44Å; W1135-C1139 PolarHBondContact O-N 3.08Å; W1135-C1139 PolarHBondContact O-SG 3.41Å; W1135-C1139 VanDerWaalsContact O-SG 3.42Å; T1136-C1139 PolarHBondContact O-N 3.1Å; C1139-A1142 PolarHBondContact O-N 3.32Å; C1139-S1143 WeakPolarHBondContact O-CB 3.24Å; C1139-S1143 PolarHBondContact O-N 2.86Å
1140L89.6Confident83.7Confident2 Ų236.8 Ų36.81%0.0119%0.188CC..Hα-helixtrans-60.9-49.9174.4-179.958.5000110.5P404 Y894 L1046 T1136 I1137 A1142 S1143 L1144 I1158P404-L1140 HydrophobicContact CG-CD1 4.4Å; Y894-L1140 HydrophobicContact CE1-CD1 4.28Å; Y894-L1140 HydrophobicContact CE1-CD2 4.32Å; L1046-L1140 HydrophobicContact CD2-CD2 3.85Å; T1136-L1140 PolarHBondContact O-N 3.24Å; I1137-L1140 PolarHBondContact O-N 2.93Å; L1140-A1142 VanDerWaalsContact C-N 3.32Å; L1140-A1142 PolarHBondContact O-N 3.28Å; L1140-S1143 PolarHBondContact O-N 3.2Å; L1140-S1143 VanDerWaalsContact O-N 3.14Å; L1140-S1143 PolarHBondContact O-OG 2.92Å; L1140-L1144 HydrophobicContact CD1-CD1 4.47Å; L1140-L1144 HydrophobicContact CG-CD1 4.37Å; L1140-L1144 WeakPolarHBondContact O-CG 3.38Å; L1140-L1144 PolarHBondContact O-N 2.97Å; L1140-I1158 HydrophobicContact CD2-CD1 3.72Å; L1140-I1158 HydrophobicContact CG-CD1 4.09Å
1141E85.8Confident83.9Confident28 Ų2835.2 Ų35.213%0.13118%0.179CC..Hα-helixtrans-60.6-40.3-179.9-153.1-155122.800112.2I1137 D1138 S1143 L1144 R1155I1137-E1141 WeakPolarHBondContact O-CB 3.43Å; I1137-E1141 PolarHBondContact O-N 2.96Å; D1138-E1141 PolarHBondContact O-N 2.85Å; E1141-S1143 VanDerWaalsContact C-N 3.33Å; E1141-S1143 PolarHBondContact O-N 2.96Å; E1141-L1144 PolarHBondContact O-N 3.42Å; E1141-R1155 HydrophobicContact CG-CG 3.62Å; E1141-R1155 PolarHBondContact O-NH1 3.02Å; E1141-R1155 PolarHBondContact O-NH2 2.98Å; E1141-R1155 IonicContact OE1-CZ 2.71Å; E1141-R1155 IonicContact OE1-NE 2.72Å; E1141-R1155 PolarHBondContact OE1-NE 3.26Å; E1141-R1155 IonicContact OE1-NH2 3.14Å; E1141-R1155 PolarHBondContact OE1-NH2 3.2Å
1142A82.5Confident83.8Confident64 Ų6430.7 Ų30.753%0.52916%0.16SC..Hα-helixtrans-65.5-32.8177.100000113.2D1138 C1139 L1140D1138-A1142 WeakPolarHBondContact O-CB 3.34Å; D1138-A1142 PolarHBondContact O-N 3Å; C1139-A1142 PolarHBondContact O-N 3.32Å; L1140-A1142 VanDerWaalsContact C-N 3.32Å; L1140-A1142 PolarHBondContact O-N 3.28Å
1143S84.9Confident83.8Confident5 Ų535.8 Ų35.84%0.03518%0.178CC..Hα-helixtrans-74.6-22.4178.175.20000114.3P402 L403 R889 C1139 L1140 E1141P402-S1143 WeakPolarHBondContact O-CB 3.35Å; L403-S1143 VanDerWaalsContact CD2-OG 3.28Å; L403-S1143 WeakPolarHBondContact CD2-OG 3.43Å; R889-S1143 PolarHBondContact NH2-O 3.11Å; C1139-S1143 WeakPolarHBondContact O-CB 3.24Å; C1139-S1143 PolarHBondContact O-N 2.86Å; L1140-S1143 PolarHBondContact O-N 3.2Å; L1140-S1143 VanDerWaalsContact O-N 3.14Å; L1140-S1143 PolarHBondContact O-OG 2.92Å; E1141-S1143 VanDerWaalsContact C-N 3.33Å; E1141-S1143 PolarHBondContact O-N 2.96Å
1144L87.2Confident84Confident0 Ų035.8 Ų35.80%018%0.178CC..SBendtrans-84.1118.3-179.6-65.6171.9000111.5L403 D888 L1140 E1141 P1146 E1151 L1154 R1155 I1158L403-L1144 HydrophobicContact CD2-CD2 4.09Å; D888-L1144 HydrophobicContact CB-CD2 4.45Å; L1140-L1144 HydrophobicContact CD1-CD1 4.47Å; L1140-L1144 HydrophobicContact CG-CD1 4.37Å; L1140-L1144 WeakPolarHBondContact O-CG 3.38Å; L1140-L1144 PolarHBondContact O-N 2.97Å; E1141-L1144 PolarHBondContact O-N 3.42Å; L1144-P1146 WeakPolarHBondContact O-CD 3.48Å; L1144-E1151 HydrophobicContact CB-CB 4.31Å; L1144-E1151 HydrophobicContact CD2-CB 4.07Å; L1144-E1151 HydrophobicContact CD2-CG 3.73Å; L1144-L1154 HydrophobicContact CD1-CB 4.4Å; L1144-L1154 HydrophobicContact CD1-CD2 3.99Å; L1144-L1154 HydrophobicContact CD1-CG 3.86Å; L1144-L1154 HydrophobicContact CD2-CD2 3.85Å; L1144-R1155 HydrophobicContact CB-CB 4.27Å; L1144-R1155 HydrophobicContact CD1-CB 4.29Å; L1144-R1155 PolarHBondContact O-NH1 3.45Å; L1144-I1158 HydrophobicContact CD1-CD1 3.79Å
1145N80.1Confident84.1Confident11 Ų1135.9 Ų35.96%0.05918%0.177CC..  trans-78120.8-175.8-167.1-46.8000111L397 D399 R1147 G1148 E1151L397-N1145 HydrophobicContact CD1-CB 4.08Å; D399-N1145 PolarHBondContact O-ND2 3.43Å; D399-N1145 VanDerWaalsContact O-ND2 3.07Å; D399-N1145 PolarHBondContact OD2-ND2 2.9Å; N1145-R1147 PolarHBondContact O-N 3.13Å; N1145-R1147 VanDerWaalsContact OD1-CB 3.25Å; N1145-R1147 WeakPolarHBondContact OD1-CB 3.06Å; N1145-R1147 PolarHBondContact OD1-N 2.98Å; N1145-G1148 PolarHBondContact O-N 2.98Å; N1145-G1148 VanDerWaalsContact O-N 3.07Å; N1145-E1151 WeakPolarHBondContact CB-OE2 3.25Å; N1145-E1151 PolarHBondContact N-OE2 3.31Å
1146P77.4Confident84.1Confident49 Ų4931.1 Ų31.132%0.31816%0.16SC..THydrogen-bonded Turntrans-67.1-9.8-178.628.8-36.1000114.1L1144 S1152L1144-P1146 WeakPolarHBondContact O-CD 3.48Å; P1146-S1152 WeakPolarHBondContact O-CB 3.27Å
1147R73.6Confident83.9Confident51 Ų5131.9 Ų31.919%0.19217%0.165CC..THydrogen-bonded Turntrans-92.4-12.1176.3-57.1166.859.9-146.7-6113R391 R392 L397 D399 N1145R391-R1147 WeakPolarHBondContact CA-O 3.41Å; R391-R1147 VanDerWaalsContact CB-O 3.32Å; R391-R1147 WeakPolarHBondContact CB-O 3.48Å; R391-R1147 WeakPolarHBondContact CG-O 3.32Å; R392-R1147 PolarHBondContact N-O 3.39Å; L397-R1147 HydrophobicContact CD1-CB 4.1Å; L397-R1147 HydrophobicContact CD2-CB 4.08Å; D399-R1147 IonicContact OD1-CZ 3.99Å; D399-R1147 IonicContact OD1-NH1 2.83Å; D399-R1147 PolarHBondContact OD1-NH1 2.88Å; D399-R1147 IonicContact OD2-CZ 3.48Å; D399-R1147 IonicContact OD2-NH1 2.71Å; D399-R1147 PolarHBondContact OD2-NH1 3.01Å; N1145-R1147 PolarHBondContact O-N 3.13Å; N1145-R1147 VanDerWaalsContact OD1-CB 3.25Å; N1145-R1147 WeakPolarHBondContact OD1-CB 3.06Å; N1145-R1147 PolarHBondContact OD1-N 2.98Å
1148G77.3Confident83.8Confident0 Ų032 Ų320%017%0.165CC..BIsolated β-bridgetrans-69.4147.2172.300000111.9D394 N1145 S1152D394-G1148 WeakPolarHBondContact OD1-CA 3.49Å; N1145-G1148 PolarHBondContact O-N 2.98Å; N1145-G1148 VanDerWaalsContact O-N 3.07Å; G1148-S1152 WeakPolarHBondContact O-CB 3.4Å; G1148-S1152 PolarHBondContact O-N 3.26Å; G1148-S1152 PolarHBondContact O-OG 2.92Å
1149I75.2Confident83.6Confident51 Ų5131.5 Ų31.526%0.26217%0.172SC..THydrogen-bonded Turntrans-70.7-40175-70.2163.5000111.3R391 R392 E393 D394 R1153R391-I1149 HydrophobicContact CB-CG1 3.93Å; R392-I1149 WeakPolarHBondContact O-CG1 3.44Å; R392-I1149 PolarHBondContact O-N 3.49Å; E393-I1149 WeakPolarHBondContact OE1-CD1 3.45Å; D394-I1149 PolarHBondContact OD1-N 3.24Å; I1149-R1153 VanDerWaalsContact O-CD 3.29Å; I1149-R1153 WeakPolarHBondContact O-CD 3.41Å; I1149-R1153 VanDerWaalsContact O-CG 3.28Å; I1149-R1153 WeakPolarHBondContact O-CG 3.5Å; I1149-R1153 PolarHBondContact O-NE 2.96Å
1150R83.5Confident83.1Confident23 Ų2334.6 Ų34.69%0.08718%0.181CC..THydrogen-bonded Turntrans-88.5-52.1179.1-64.2-178-66.2-76.16.3110.9E393 D394 Q887 D888 R889 Y891 S1152 R1153 L1154E393-R1150 IonicContact OE2-NH1 3.43Å; E393-R1150 PolarHBondContact OE2-NH1 3.27Å; D394-R1150 PolarHBondContact OD1-N 3.44Å; D394-R1150 VanDerWaalsContact OD1-N 3.17Å; D394-R1150 WeakPolarHBondContact OD2-CB 3.33Å; D394-R1150 PolarHBondContact OD2-N 3.28Å; D394-R1150 VanDerWaalsContact OD2-N 3.13Å; Q887-R1150 HydrophobicContact CB-CB 4.34Å; Q887-R1150 CarbonylContact O-C 3.45Å; Q887-R1150 WeakPolarHBondContact O-CB 3.24Å; D888-R1150 PolarHBondContact O-NE 3.42Å; R889-R1150 PolarHBondContact O-NH2 3.23Å; R889-R1150 VanDerWaalsContact O-NH2 3.12Å; Y891-R1150 VanDerWaalsContact CE1-CZ 3.49Å; Y891-R1150 VanDerWaalsContact CZ-CZ 3.47Å; Y891-R1150 PolarHBondContact OH-NH1 3.34Å; R1150-S1152 VanDerWaalsContact C-N 3.33Å; R1150-S1152 PolarHBondContact O-N 2.94Å; R1150-R1153 WeakPolarHBondContact O-CA 3.27Å; R1150-R1153 VanDerWaalsContact O-CB 3.25Å; R1150-R1153 WeakPolarHBondContact O-CB 3.32Å; R1150-R1153 PolarHBondContact O-N 3.3Å; R1150-L1154 PolarHBondContact O-N 2.84Å
1151E87.3Confident82.6Confident0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-59.5-37.6-176.4-74-179.6-170.900113.8D394 D888 R889 L1144 N1145 R1153 L1154 R1155D394-E1151 WeakPolarHBondContact OD2-CG 3.18Å; D394-E1151 PolarHBondContact OD2-N 3.47Å; D888-E1151 HydrophobicContact CB-CG 4.31Å; R889-E1151 WeakPolarHBondContact CB-OE1 3.16Å; R889-E1151 WeakPolarHBondContact CD-OE1 3.44Å; R889-E1151 WeakPolarHBondContact CG-OE1 3.47Å; R889-E1151 IonicContact CZ-OE1 3.76Å; R889-E1151 IonicContact CZ-OE2 2.74Å; R889-E1151 PolarHBondContact N-OE1 2.9Å; R889-E1151 IonicContact NE-OE1 3.46Å; R889-E1151 PolarHBondContact NE-OE1 3.13Å; R889-E1151 IonicContact NH1-OE1 3.53Å; R889-E1151 PolarHBondContact NH1-OE1 3.17Å; R889-E1151 IonicContact NH1-OE2 3.62Å; R889-E1151 PolarHBondContact NH1-OE2 3.27Å; R889-E1151 IonicContact NH2-OE1 2.71Å; L1144-E1151 HydrophobicContact CB-CB 4.31Å; L1144-E1151 HydrophobicContact CD2-CB 4.07Å; L1144-E1151 HydrophobicContact CD2-CG 3.73Å; N1145-E1151 WeakPolarHBondContact CB-OE2 3.25Å; N1145-E1151 PolarHBondContact N-OE2 3.31Å; E1151-R1153 PolarHBondContact O-N 3.09Å; E1151-L1154 PolarHBondContact O-N 3.36Å; E1151-R1155 VanDerWaalsContact O-CB 3.24Å; E1151-R1155 WeakPolarHBondContact O-CB 2.96Å; E1151-R1155 PolarHBondContact O-N 2.93Å
1152S82.9Confident82.6Confident17 Ų1735.7 Ų35.712%0.11919%0.186CC..Hα-helixtrans-69.1-19176.171.80000113.9R391 P1146 G1148 R1150 K1156R391-S1152 PolarHBondContact NE-OG 3.45Å; P1146-S1152 WeakPolarHBondContact O-CB 3.27Å; G1148-S1152 WeakPolarHBondContact O-CB 3.4Å; G1148-S1152 PolarHBondContact O-N 3.26Å; G1148-S1152 PolarHBondContact O-OG 2.92Å; R1150-S1152 VanDerWaalsContact C-N 3.33Å; R1150-S1152 PolarHBondContact O-N 2.94Å; S1152-K1156 PolarHBondContact O-N 2.96Å
1153R84.3Confident82.3Confident123 Ų12335.7 Ų35.746%0.46418%0.18SC..Hα-helixtrans-77.9-49.3172-60.3173.4178.4-157.9-0.7110.3I1149 R1150 E1151 R1155 K1156 T1157I1149-R1153 VanDerWaalsContact O-CD 3.29Å; I1149-R1153 WeakPolarHBondContact O-CD 3.41Å; I1149-R1153 VanDerWaalsContact O-CG 3.28Å; I1149-R1153 WeakPolarHBondContact O-CG 3.5Å; I1149-R1153 PolarHBondContact O-NE 2.96Å; R1150-R1153 WeakPolarHBondContact O-CA 3.27Å; R1150-R1153 VanDerWaalsContact O-CB 3.25Å; R1150-R1153 WeakPolarHBondContact O-CB 3.32Å; R1150-R1153 PolarHBondContact O-N 3.3Å; E1151-R1153 PolarHBondContact O-N 3.09Å; R1153-R1155 VanDerWaalsContact C-N 3.31Å; R1153-R1155 PolarHBondContact O-N 3.38Å; R1153-K1156 WeakPolarHBondContact O-CB 3.5Å; R1153-K1156 PolarHBondContact O-N 3.33Å; R1153-K1156 VanDerWaalsContact O-N 3.13Å; R1153-T1157 PolarHBondContact O-N 3.48Å; R1153-T1157 VanDerWaalsContact O-N 3.09Å; R1153-T1157 PolarHBondContact O-OG1 3.08Å
1154L91.2Very high81.8Confident0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-59.6-41.1175.7178.259.3000111.4L885 D888 Y894 L1144 R1150 E1151 K1156 T1157 I1158L885-L1154 HydrophobicContact CB-CD1 3.82Å; D888-L1154 HydrophobicContact CB-CD2 4.41Å; Y894-L1154 HydrophobicContact CD1-CD2 4.45Å; Y894-L1154 HydrophobicContact CD2-CD1 4.17Å; Y894-L1154 HydrophobicContact CD2-CD2 3.52Å; Y894-L1154 HydrophobicContact CE1-CD2 4.45Å; Y894-L1154 HydrophobicContact CE2-CD2 3.56Å; Y894-L1154 HydrophobicContact CG-CD1 3.99Å; Y894-L1154 HydrophobicContact CG-CD2 4.01Å; L1144-L1154 HydrophobicContact CD1-CB 4.4Å; L1144-L1154 HydrophobicContact CD1-CD2 3.99Å; L1144-L1154 HydrophobicContact CD1-CG 3.86Å; L1144-L1154 HydrophobicContact CD2-CD2 3.85Å; R1150-L1154 PolarHBondContact O-N 2.84Å; E1151-L1154 PolarHBondContact O-N 3.36Å; L1154-K1156 VanDerWaalsContact C-N 3.34Å; L1154-K1156 PolarHBondContact O-N 2.86Å; L1154-T1157 WeakPolarHBondContact CA-OG1 3.5Å; L1154-T1157 PolarHBondContact O-N 2.98Å; L1154-T1157 PolarHBondContact O-OG1 3.3Å; L1154-I1158 HydrophobicContact CD1-CD1 3.78Å; L1154-I1158 HydrophobicContact CD1-CG1 4.1Å; L1154-I1158 HydrophobicContact CG-CD1 3.78Å; L1154-I1158 HydrophobicContact CG-CG1 4.49Å; L1154-I1158 WeakPolarHBondContact O-CB 3.28Å; L1154-I1158 VanDerWaalsContact O-CG1 3.27Å; L1154-I1158 WeakPolarHBondContact O-CG1 3.46Å; L1154-I1158 PolarHBondContact O-N 3.45Å
1155R89.2Confident81.7Confident64 Ų6435.9 Ų35.924%0.24218%0.181CC..Hα-helixtrans-60.6-40.5173.8-168.8170.9-176.4140.511.2112.6E1141 L1144 E1151 R1153 G1159E1141-R1155 HydrophobicContact CG-CG 3.62Å; E1141-R1155 PolarHBondContact O-NH1 3.02Å; E1141-R1155 PolarHBondContact O-NH2 2.98Å; E1141-R1155 IonicContact OE1-CZ 2.71Å; E1141-R1155 IonicContact OE1-NE 2.72Å; E1141-R1155 PolarHBondContact OE1-NE 3.26Å; E1141-R1155 IonicContact OE1-NH2 3.14Å; E1141-R1155 PolarHBondContact OE1-NH2 3.2Å; L1144-R1155 HydrophobicContact CB-CB 4.27Å; L1144-R1155 HydrophobicContact CD1-CB 4.29Å; L1144-R1155 PolarHBondContact O-NH1 3.45Å; E1151-R1155 VanDerWaalsContact O-CB 3.24Å; E1151-R1155 WeakPolarHBondContact O-CB 2.96Å; E1151-R1155 PolarHBondContact O-N 2.93Å; R1153-R1155 VanDerWaalsContact C-N 3.31Å; R1153-R1155 PolarHBondContact O-N 3.38Å; R1155-G1159 PolarHBondContact O-N 3.47Å
1156K83.9Confident81.9Confident53 Ų5336.4 Ų36.423%0.2318%0.184CC..Hα-helixtrans-67-42.9178-175.1-179.9177.8-177.40111.8S1152 R1153 L1154 Q1160 A1541S1152-K1156 PolarHBondContact O-N 2.96Å; R1153-K1156 WeakPolarHBondContact O-CB 3.5Å; R1153-K1156 PolarHBondContact O-N 3.33Å; R1153-K1156 VanDerWaalsContact O-N 3.13Å; L1154-K1156 VanDerWaalsContact C-N 3.34Å; L1154-K1156 PolarHBondContact O-N 2.86Å; K1156-Q1160 WeakPolarHBondContact O-CB 3.25Å; K1156-Q1160 VanDerWaalsContact O-CG 3.25Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.22Å; K1156-Q1160 PolarHBondContact O-N 3.07Å; K1156-A1541 PolarHBondContact NZ-O 3.38Å
1157T82.9Confident82Confident28 Ų2838.6 Ų38.617%0.17219%0.188CC..Hα-helixtrans-70.7-43-179.746.30000111.8L885 R1153 L1154 G1159 Q1160 L1161L885-T1157 WeakPolarHBondContact O-CB 3.34Å; L885-T1157 PolarHBondContact O-OG1 3.15Å; R1153-T1157 PolarHBondContact O-N 3.48Å; R1153-T1157 VanDerWaalsContact O-N 3.09Å; R1153-T1157 PolarHBondContact O-OG1 3.08Å; L1154-T1157 WeakPolarHBondContact CA-OG1 3.5Å; L1154-T1157 PolarHBondContact O-N 2.98Å; L1154-T1157 PolarHBondContact O-OG1 3.3Å; T1157-G1159 PolarHBondContact O-N 2.85Å; T1157-Q1160 PolarHBondContact O-N 2.7Å; T1157-L1161 PolarHBondContact O-N 3.4Å
1158I87.3Confident82.3Confident2 Ų236.8 Ų36.81%0.0118%0.183CC..Hα-helixtrans-56-50.1171.3-70.2169000110.2I1137 L1140 L1144 L1154 Q1160 L1161 R1162 L1165I1137-I1158 HydrophobicContact CG2-CG2 3.79Å; L1140-I1158 HydrophobicContact CD2-CD1 3.72Å; L1140-I1158 HydrophobicContact CG-CD1 4.09Å; L1144-I1158 HydrophobicContact CD1-CD1 3.79Å; L1154-I1158 HydrophobicContact CD1-CD1 3.78Å; L1154-I1158 HydrophobicContact CD1-CG1 4.1Å; L1154-I1158 HydrophobicContact CG-CD1 3.78Å; L1154-I1158 HydrophobicContact CG-CG1 4.49Å; L1154-I1158 WeakPolarHBondContact O-CB 3.28Å; L1154-I1158 VanDerWaalsContact O-CG1 3.27Å; L1154-I1158 WeakPolarHBondContact O-CG1 3.46Å; L1154-I1158 PolarHBondContact O-N 3.45Å; I1158-Q1160 VanDerWaalsContact C-N 3.28Å; I1158-Q1160 PolarHBondContact O-N 3.04Å; I1158-L1161 PolarHBondContact O-N 2.88Å; I1158-R1162 WeakPolarHBondContact O-CA 3.41Å; I1158-R1162 WeakPolarHBondContact O-CB 3.28Å; I1158-R1162 PolarHBondContact O-N 3.33Å; I1158-L1165 HydrophobicContact CB-CD1 4.26Å; I1158-L1165 HydrophobicContact CG1-CD1 4.25Å; I1158-L1165 HydrophobicContact CG2-CD1 4.05Å
1159G83Confident82.6Confident39 Ų3936.8 Ų36.840%0.40218%0.183SC..Hα-helixtrans-61.7-31.9178.200000114.1R1155 T1157R1155-G1159 PolarHBondContact O-N 3.47Å; T1157-G1159 PolarHBondContact O-N 2.85Å
1160Q76.7Confident82.8Confident116 Ų11635.9 Ų35.954%0.54218%0.179SC..Hα-helixtrans-75.5-36.9176.4-77.4177.1-3700113.3K1156 T1157 I1158K1156-Q1160 WeakPolarHBondContact O-CB 3.25Å; K1156-Q1160 VanDerWaalsContact O-CG 3.25Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.22Å; K1156-Q1160 PolarHBondContact O-N 3.07Å; T1157-Q1160 PolarHBondContact O-N 2.7Å; I1158-Q1160 VanDerWaalsContact C-N 3.28Å; I1158-Q1160 PolarHBondContact O-N 3.04Å
1161L77.9Confident82.6Confident26 Ų2640.4 Ų40.414%0.13620%0.203CC..Hα-helixtrans-95.9-0.9-178.4-60.6175.5000113I883 L885 T1157 I1158 P1163 L1164 L1165I883-L1161 HydrophobicContact CG2-CD1 4.15Å; L885-L1161 HydrophobicContact CD2-CD1 3.57Å; T1157-L1161 PolarHBondContact O-N 3.4Å; I1158-L1161 PolarHBondContact O-N 2.88Å; L1161-P1163 VanDerWaalsContact C-CD 3.45Å; L1161-P1163 VanDerWaalsContact O-N 3.12Å; L1161-L1164 HydrophobicContact CD2-CD1 3.91Å; L1161-L1164 WeakPolarHBondContact O-CA 3.21Å; L1161-L1164 VanDerWaalsContact O-CB 3.24Å; L1161-L1164 WeakPolarHBondContact O-CB 3.41Å; L1161-L1164 PolarHBondContact O-N 2.97Å; L1161-L1165 HydrophobicContact CB-CD1 4.21Å; L1161-L1165 HydrophobicContact CB-CD2 4.48Å; L1161-L1165 HydrophobicContact CB-CG 4.02Å; L1161-L1165 PolarHBondContact O-N 3.14Å
1162R85.5Confident81.9Confident28 Ų2840.6 Ų40.611%0.10620%0.204CC..Hα-helixtrans-43-47.3-172.4179.5174.6176.2111.81.6115.8N774 I1137 D1138 I1158 L1164 L1165 I1166N774-R1162 PolarHBondContact OD1-NH2 3.46Å; I1137-R1162 HydrophobicContact CG2-CG 4.26Å; D1138-R1162 IonicContact OD1-CZ 3.89Å; D1138-R1162 VanDerWaalsContact OD1-CZ 3.23Å; D1138-R1162 IonicContact OD1-NH1 2.86Å; D1138-R1162 PolarHBondContact OD1-NH1 3.47Å; D1138-R1162 IonicContact OD1-NH2 3.73Å; D1138-R1162 PolarHBondContact OD1-NH2 2.84Å; D1138-R1162 IonicContact OD2-CZ 3.76Å; D1138-R1162 IonicContact OD2-NH1 3.75Å; D1138-R1162 IonicContact OD2-NH2 2.7Å; D1138-R1162 PolarHBondContact OD2-NH2 3.13Å; I1158-R1162 WeakPolarHBondContact O-CA 3.41Å; I1158-R1162 WeakPolarHBondContact O-CB 3.28Å; I1158-R1162 PolarHBondContact O-N 3.33Å; R1162-L1164 PolarHBondContact O-N 2.84Å; R1162-L1165 PolarHBondContact O-N 3.02Å; R1162-I1166 HydrophobicContact CG-CD1 3.78Å; R1162-I1166 HydrophobicContact CG-CG1 4.46Å; R1162-I1166 WeakPolarHBondContact O-CD1 3.26Å; R1162-I1166 VanDerWaalsContact O-CG1 3.28Å; R1162-I1166 WeakPolarHBondContact O-CG1 3.46Å; R1162-I1166 PolarHBondContact O-N 3.45Å
1163P76.5Confident81.3Confident63 Ų6341.3 Ų41.341%0.40921%0.209SC..Hα-helixtrans-60.7-36.5177.8-22.234.3000112.8L870 L1161 K1167L870-P1163 HydrophobicContact CD1-CB 3.94Å; L870-P1163 HydrophobicContact CD1-CG 3.96Å; L1161-P1163 VanDerWaalsContact C-CD 3.45Å; L1161-P1163 VanDerWaalsContact O-N 3.12Å; P1163-K1167 PolarHBondContact O-N 3.29Å; P1163-K1167 VanDerWaalsContact O-N 3.15Å
1164L74.6Confident80.3Confident9 Ų937.9 Ų37.95%0.04720%0.202CC..Hα-helixtrans-74.6-42.7179.7-47.5175.7000110.5L870 T874 L1161 R1162 I1166 K1167 V1168L870-L1164 HydrophobicContact CB-CD2 3.89Å; L870-L1164 HydrophobicContact CD2-CD1 4.34Å; L870-L1164 HydrophobicContact CD2-CD2 4.03Å; L870-L1164 HydrophobicContact CD2-CG 4.22Å; T874-L1164 HydrophobicContact CG2-CB 3.99Å; T874-L1164 HydrophobicContact CG2-CD1 3.49Å; T874-L1164 VanDerWaalsContact CG2-CD1 3.49Å; T874-L1164 HydrophobicContact CG2-CD2 3.42Å; T874-L1164 VanDerWaalsContact CG2-CD2 3.42Å; T874-L1164 HydrophobicContact CG2-CG 3.78Å; L1161-L1164 HydrophobicContact CD2-CD1 3.91Å; L1161-L1164 WeakPolarHBondContact O-CA 3.21Å; L1161-L1164 VanDerWaalsContact O-CB 3.24Å; L1161-L1164 WeakPolarHBondContact O-CB 3.41Å; L1161-L1164 PolarHBondContact O-N 2.97Å; R1162-L1164 PolarHBondContact O-N 2.84Å; L1164-I1166 VanDerWaalsContact C-N 3.34Å; L1164-I1166 PolarHBondContact O-N 3.38Å; L1164-K1167 PolarHBondContact O-N 3.14Å; L1164-V1168 WeakPolarHBondContact O-CB 3.44Å; L1164-V1168 VanDerWaalsContact O-CG2 3.25Å; L1164-V1168 WeakPolarHBondContact O-CG2 3.45Å; L1164-V1168 PolarHBondContact O-N 3.41Å
1165L84.6Confident79Confident1 Ų144 Ų441%0.00523%0.231CC..Hα-helixtrans-62.7-39.5176.3-61.6178.8000111.9L885 L896 I903 I1137 I1158 L1161 R1162 V1168 L1169L885-L1165 HydrophobicContact CD1-CD2 4.18Å; L885-L1165 HydrophobicContact CD2-CD2 4.3Å; L896-L1165 HydrophobicContact CD1-CD2 4.1Å; L896-L1165 HydrophobicContact CD2-CD2 4Å; I903-L1165 HydrophobicContact CD1-CB 4.23Å; I903-L1165 HydrophobicContact CD1-CD2 3.88Å; I903-L1165 HydrophobicContact CD1-CG 4.45Å; I903-L1165 HydrophobicContact CG1-CD2 4.16Å; I1137-L1165 HydrophobicContact CD1-CB 4.06Å; I1137-L1165 HydrophobicContact CD1-CD1 4.41Å; I1158-L1165 HydrophobicContact CB-CD1 4.26Å; I1158-L1165 HydrophobicContact CG1-CD1 4.25Å; I1158-L1165 HydrophobicContact CG2-CD1 4.05Å; L1161-L1165 HydrophobicContact CB-CD1 4.21Å; L1161-L1165 HydrophobicContact CB-CD2 4.48Å; L1161-L1165 HydrophobicContact CB-CG 4.02Å; L1161-L1165 PolarHBondContact O-N 3.14Å; R1162-L1165 PolarHBondContact O-N 3.02Å; L1165-V1168 PolarHBondContact O-N 3.01Å; L1165-L1169 WeakPolarHBondContact O-CB 3.49Å; L1165-L1169 WeakPolarHBondContact O-CG 3.23Å; L1165-L1169 PolarHBondContact O-N 3.45Å
1166I84.8Confident77.9Confident22 Ų2241.6 Ų41.611%0.11322%0.223CC..Hα-helixtrans-62.3-50173.2-67.3159.5000110.2V1130 A1133 K1134 I1137 R1162 L1164 V1168 L1169 T1170V1130-I1166 HydrophobicContact CG1-CG2 4.4Å; A1133-I1166 HydrophobicContact CB-CG2 4.2Å; K1134-I1166 HydrophobicContact CG-CD1 3.69Å; K1134-I1166 HydrophobicContact CG-CG1 4.18Å; K1134-I1166 HydrophobicContact CG-CG2 4.27Å; I1137-I1166 HydrophobicContact CG1-CG1 4.49Å; R1162-I1166 HydrophobicContact CG-CD1 3.78Å; R1162-I1166 HydrophobicContact CG-CG1 4.46Å; R1162-I1166 WeakPolarHBondContact O-CD1 3.26Å; R1162-I1166 VanDerWaalsContact O-CG1 3.28Å; R1162-I1166 WeakPolarHBondContact O-CG1 3.46Å; R1162-I1166 PolarHBondContact O-N 3.45Å; L1164-I1166 VanDerWaalsContact C-N 3.34Å; L1164-I1166 PolarHBondContact O-N 3.38Å; I1166-V1168 VanDerWaalsContact C-N 3.31Å; I1166-V1168 PolarHBondContact O-N 3.28Å; I1166-L1169 PolarHBondContact O-N 2.88Å; I1166-T1170 WeakPolarHBondContact O-CG2 3.48Å; I1166-T1170 PolarHBondContact O-N 2.69Å; I1166-T1170 PolarHBondContact O-OG1 3.05Å
1167K80.1Confident76.7Confident95 Ų9539.2 Ų39.241%0.41321%0.212SC..Hα-helixtrans-59-41.4178.3-178.1171177.7172.60112.2D871 P1163 L1164 T1170 M1171D871-K1167 IonicContact OD1-NZ 2.67Å; D871-K1167 PolarHBondContact OD1-NZ 3.42Å; D871-K1167 IonicContact OD2-NZ 3.18Å; D871-K1167 PolarHBondContact OD2-NZ 3.39Å; D871-K1167 VanDerWaalsContact OD2-NZ 3.1Å; P1163-K1167 PolarHBondContact O-N 3.29Å; P1163-K1167 VanDerWaalsContact O-N 3.15Å; L1164-K1167 PolarHBondContact O-N 3.14Å; K1167-T1170 WeakPolarHBondContact CA-OG1 3.34Å; K1167-T1170 PolarHBondContact O-N 3.24Å; K1167-T1170 PolarHBondContact O-OG1 3.47Å; K1167-M1171 WeakPolarHBondContact O-CG 3.37Å; K1167-M1171 PolarHBondContact O-N 3.42Å
1168V80.2Confident75.3Confident13 Ų1340.5 Ų40.58%0.07922%0.222CC..Hα-helixtrans-66.1-46.8177.2167.90000111L896 P901 L1164 L1165 I1166 T1170 M1171 C1172L896-V1168 HydrophobicContact CD1-CB 4.38Å; L896-V1168 HydrophobicContact CD1-CG1 3.88Å; L896-V1168 HydrophobicContact CD1-CG2 4.18Å; P901-V1168 VanDerWaalsContact C-CG1 3.44Å; P901-V1168 HydrophobicContact CB-CG1 4.07Å; L1164-V1168 WeakPolarHBondContact O-CB 3.44Å; L1164-V1168 VanDerWaalsContact O-CG2 3.25Å; L1164-V1168 WeakPolarHBondContact O-CG2 3.45Å; L1164-V1168 PolarHBondContact O-N 3.41Å; L1165-V1168 PolarHBondContact O-N 3.01Å; I1166-V1168 VanDerWaalsContact C-N 3.31Å; I1166-V1168 PolarHBondContact O-N 3.28Å; V1168-T1170 VanDerWaalsContact C-N 3.29Å; V1168-T1170 PolarHBondContact O-N 2.96Å; V1168-M1171 CarbonylContact O-C 3.59Å; V1168-M1171 WeakPolarHBondContact O-CA 3.47Å; V1168-M1171 PolarHBondContact O-N 3.19Å; V1168-C1172 PolarHBondContact O-N 3.19Å; V1168-C1172 VanDerWaalsContact O-N 3.15Å
1169L83.3Confident73.5Confident0 Ų043.4 Ų43.40%025%0.246CC..Hα-helixtrans-59.7-38176.1-75.6174.7000112.5I903 L1046 Y1051 A1133 I1137 L1165 I1166 M1171 C1172I903-L1169 HydrophobicContact CD1-CD1 4.31Å; I903-L1169 HydrophobicContact CD1-CD2 4.22Å; I903-L1169 HydrophobicContact CD1-CG 4.15Å; L1046-L1169 VanDerWaalsContact O-CD2 3.25Å; L1046-L1169 WeakPolarHBondContact O-CD2 3.4Å; Y1051-L1169 VanDerWaalsContact CE1-O 3.31Å; Y1051-L1169 WeakPolarHBondContact CE1-O 3.3Å; A1133-L1169 HydrophobicContact CB-CB 3.88Å; A1133-L1169 HydrophobicContact CB-CD1 4.37Å; I1137-L1169 HydrophobicContact CD1-CD1 3.68Å; I1137-L1169 HydrophobicContact CG1-CD1 3.76Å; L1165-L1169 WeakPolarHBondContact O-CB 3.49Å; L1165-L1169 WeakPolarHBondContact O-CG 3.23Å; L1165-L1169 PolarHBondContact O-N 3.45Å; I1166-L1169 PolarHBondContact O-N 2.88Å; L1169-M1171 PolarHBondContact O-N 2.93Å; L1169-C1172 WeakPolarHBondContact O-CB 3.49Å; L1169-C1172 PolarHBondContact O-N 3.43Å; L1169-C1172 PolarHBondContact O-SG 3.16Å
1170T79.9Confident71.7Confident31 Ų3143 Ų4319%0.1924%0.236CC..THydrogen-bonded Turntrans-71.6-12174.253.20000114.2Y1051 M1129 V1130 A1133 I1166 K1167 V1168Y1051-T1170 WeakPolarHBondContact OH-CG2 3.31Å; M1129-T1170 HydrophobicContact CB-CG2 4.4Å; V1130-T1170 HydrophobicContact CB-CG2 4.32Å; V1130-T1170 HydrophobicContact CG2-CG2 3.75Å; A1133-T1170 HydrophobicContact CB-CG2 3.95Å; I1166-T1170 WeakPolarHBondContact O-CG2 3.48Å; I1166-T1170 PolarHBondContact O-N 2.69Å; I1166-T1170 PolarHBondContact O-OG1 3.05Å; K1167-T1170 WeakPolarHBondContact CA-OG1 3.34Å; K1167-T1170 PolarHBondContact O-N 3.24Å; K1167-T1170 PolarHBondContact O-OG1 3.47Å; V1168-T1170 VanDerWaalsContact C-N 3.29Å; V1168-T1170 PolarHBondContact O-N 2.96Å
1171M77.8Confident69.9Low118 Ų11842.2 Ų42.258%0.58124%0.235SC*.THydrogen-bonded Turntrans-103.41.7176.2-60.8-105.768.800112.5P901 K1167 V1168 L1169P901-M1171 HydrophobicContact CB-CB 4.18Å; P901-M1171 HydrophobicContact CG-CB 4.23Å; P901-M1171 VanDerWaalsContact CG-O 3.3Å; P901-M1171 WeakPolarHBondContact CG-O 3.21Å; K1167-M1171 WeakPolarHBondContact O-CG 3.37Å; K1167-M1171 PolarHBondContact O-N 3.42Å; V1168-M1171 CarbonylContact O-C 3.59Å; V1168-M1171 WeakPolarHBondContact O-CA 3.47Å; V1168-M1171 PolarHBondContact O-N 3.19Å; L1169-M1171 PolarHBondContact O-N 2.93Å
1172C73.1Confident67.8Low5 Ų548.4 Ų48.43%0.03427%0.269CS..  trans-52.5122.5176.9-81.60000110.5P901 V1168 L1169 I1177P901-C1172 WeakPolarHBondContact O-CA 3.44Å; P901-C1172 PolarHBondContact O-SG 3.45Å; V1168-C1172 PolarHBondContact O-N 3.19Å; V1168-C1172 VanDerWaalsContact O-N 3.15Å; L1169-C1172 WeakPolarHBondContact O-CB 3.49Å; L1169-C1172 PolarHBondContact O-N 3.43Å; L1169-C1172 PolarHBondContact O-SG 3.16Å; C1172-I1177 HydrophobicContact CB-CD1 4.2Å
1173P70.2Confident65Low32 Ų3254.1 Ų54.121%0.20830%0.301CS..  trans-74.3142-173.332.2-36.8000111E1175 I1176P1173-E1175 VanDerWaalsContact C-N 3.25Å; P1173-E1175 WeakPolarHBondContact CB-OE2 3.12Å; P1173-E1175 PolarHBondContact O-N 3.26Å; P1173-I1176 HydrophobicContact CG-CB 4.45Å; P1173-I1176 HydrophobicContact CG-CD1 3.65Å; P1173-I1176 HydrophobicContact CG-CG1 3.97Å; P1173-I1176 PolarHBondContact O-N 2.77Å
1174P62.8Low62.5Low50 Ų5056.3 Ų56.333%0.32532%0.317SS..Hα-helixtrans-62.2-29.2-171.124-34000113.9Y1055 I1176 I1177 C1178Y1055-P1174 HydrophobicContact CD1-CB 3.78Å; Y1055-P1174 HydrophobicContact CE1-CB 3.69Å; Y1055-P1174 HydrophobicContact CE1-CG 4.43Å; Y1055-P1174 HydrophobicContact CG-CB 4.37Å; P1174-I1176 VanDerWaalsContact C-N 3.25Å; P1174-I1176 PolarHBondContact O-N 3.07Å; P1174-I1177 PolarHBondContact O-N 3.19Å; P1174-I1177 VanDerWaalsContact O-N 3.08Å; P1174-C1178 PolarHBondContact O-N 3.2Å
1175E65.5Low60Low130 Ų13060.8 Ų60.861%0.60735%0.349SS*.Hα-helixtrans-56.2-42.7178.4-60.377.3-171.400110.6P1173 I1177 A1179P1173-E1175 VanDerWaalsContact C-N 3.25Å; P1173-E1175 WeakPolarHBondContact CB-OE2 3.12Å; P1173-E1175 PolarHBondContact O-N 3.26Å; E1175-I1177 VanDerWaalsContact C-N 3.33Å; E1175-I1177 PolarHBondContact O-N 3.03Å; E1175-A1179 WeakPolarHBondContact O-CB 3.35Å; E1175-A1179 PolarHBondContact O-N 3.39Å
1176I65.5Low57.2Low13 Ų1365.5 Ų65.57%0.06738%0.378CS..Hα-helixtrans-75.2-25.1-178.8-59.1-177.5000111.7F409 P410 V900 I1045 P1173 P1174 T1180F409-I1176 HydrophobicContact CE2-CG2 4.44Å; P410-I1176 HydrophobicContact CG-CB 4.42Å; P410-I1176 HydrophobicContact CG-CG2 3.99Å; V900-I1176 HydrophobicContact CG1-CD1 3.15Å; I1045-I1176 HydrophobicContact CD1-CG2 3.46Å; I1045-I1176 VanDerWaalsContact CD1-CG2 3.46Å; P1173-I1176 HydrophobicContact CG-CB 4.45Å; P1173-I1176 HydrophobicContact CG-CD1 3.65Å; P1173-I1176 HydrophobicContact CG-CG1 3.97Å; P1173-I1176 PolarHBondContact O-N 2.77Å; P1174-I1176 VanDerWaalsContact C-N 3.25Å; P1174-I1176 PolarHBondContact O-N 3.07Å; I1176-T1180 WeakPolarHBondContact O-CG2 3.35Å
1177I58.3Low54.3Low3 Ų370.6 Ų70.62%0.01541%0.41CS..Hα-helixtrans-78.1-44.7177.2-60.7167.1000109.7I1047 Y1051 Y1055 C1172 P1174 E1175 T1180I1047-I1177 HydrophobicContact CG2-CG2 4.49Å; Y1051-I1177 HydrophobicContact CD1-CD1 3.94Å; Y1055-I1177 HydrophobicContact CD2-CB 4.49Å; Y1055-I1177 HydrophobicContact CD2-CD1 3.75Å; Y1055-I1177 HydrophobicContact CD2-CG2 4.16Å; Y1055-I1177 HydrophobicContact CE2-CD1 3.38Å; C1172-I1177 HydrophobicContact CB-CD1 4.2Å; P1174-I1177 PolarHBondContact O-N 3.19Å; P1174-I1177 VanDerWaalsContact O-N 3.08Å; E1175-I1177 VanDerWaalsContact C-N 3.33Å; E1175-I1177 PolarHBondContact O-N 3.03Å; I1177-T1180 PolarHBondContact O-OG1 3.13Å
1178C54.9Low51.9Low54 Ų5471.4 Ų71.437%0.36542%0.423SS..Hα-helixtrans-79.7-36-175.4-69.50000114P1174 T1180P1174-C1178 PolarHBondContact O-N 3.2Å; C1178-T1180 PolarHBondContact O-N 3.46Å
1179A49.2Very low49.3Very low63 Ų6377.2 Ų77.252%0.52145%0.453SS..THydrogen-bonded Turntrans-69.91.7-176.900000115P410 E1175 N1181P410-A1179 HydrophobicContact CB-CB 3.6Å; P410-A1179 HydrophobicContact CG-CB 4.02Å; E1175-A1179 WeakPolarHBondContact O-CB 3.35Å; E1175-A1179 PolarHBondContact O-N 3.39Å; A1179-N1181 PolarHBondContact O-N 3.01Å
1180T45.1Very low46.4Very low32 Ų3287.2 Ų87.220%0.19650%0.497CS..THydrogen-bonded Turntrans-798.8178.656.50000114.5A407 K408 P410 I1047 R1052 I1176 I1177 C1178A407-T1180 HydrophobicContact CB-CG2 4.4Å; K408-T1180 WeakPolarHBondContact O-CG2 3.47Å; P410-T1180 HydrophobicContact CB-CG2 4.42Å; P410-T1180 HydrophobicContact CG-CG2 4.09Å; I1047-T1180 HydrophobicContact CD1-CG2 4.47Å; R1052-T1180 PolarHBondContact NH2-OG1 3.34Å; I1176-T1180 WeakPolarHBondContact O-CG2 3.35Å; I1177-T1180 PolarHBondContact O-OG1 3.13Å; C1178-T1180 PolarHBondContact O-N 3.46Å
1181N38Very low43.7Very low98 Ų9891.8 Ų91.852%0.52453%0.525SS..  trans-123.494.8174.8-81.218000111.1R1052 A1179R1052-N1181 VanDerWaalsContact NH1-CG 3.3Å; R1052-N1181 PolarHBondContact NH1-OD1 3.42Å; A1179-N1181 PolarHBondContact O-N 3.01Å
1182D33.5Very low41Very low157 Ų15790.5 Ų90.584%0.8453%0.532SS*.  trans-157.8160.1143.3-96.4-35.6000109.2
1183N28Very low38.7Very low148 Ų14897.4 Ų97.479%0.79157%0.568SS**  trans68.366.1-179.5-57.9-31.8000117.3
1184C22.8Very low36.3Very low109 Ų109104 Ų10474%0.73660%0.601SS**  trans-129.453.4138.8-163.70000110.9T1186C1184-T1186 PolarHBondContact O-N 3.18Å
1185S22.3Very low34.5Very low102 Ų102107.5 Ų107.571%0.71362%0.622SS**  trans-74.551.5169.249.90000111.7V1187S1185-V1187 PolarHBondContact O-N 3.27Å
1186T25.4Very low32.4Very low100 Ų100112.7 Ų112.761%0.61364%0.636SS**  trans-67.4101.1162.349.70000107.6C1184 V1188C1184-T1186 PolarHBondContact O-N 3.18Å; T1186-V1188 VanDerWaalsContact C-N 3.32Å; T1186-V1188 PolarHBondContact O-N 3.02Å
1187V25.3Very low30.3Very low129 Ų129120 Ų12078%0.78267%0.673SS**  trans-59.996.5169-179.80000107.4S1185S1185-V1187 PolarHBondContact O-N 3.27Å
1188V28.7Very low28.7Very low113 Ų113125.8 Ų125.869%0.68571%0.709SS**  trans-109.6109.1172.7177.90000106.5T1186 K1190T1186-V1188 VanDerWaalsContact C-N 3.32Å; T1186-V1188 PolarHBondContact O-N 3.02Å; V1188-K1190 PolarHBondContact O-N 3.46Å
1189D25Very low27.1Very low135 Ų135128.8 Ų128.872%0.72273%0.73SS**  trans-56.9120.7-176.2-72.8-52.4000111.9T1191D1189-T1191 VanDerWaalsContact C-N 3.27Å; D1189-T1191 PolarHBondContact O-N 2.73Å
1190K23.3Very low25.9Very low210 Ų210129.2 Ų129.291%0.91374%0.741SS**  trans-79.166.8-179.4-73.3-179.6174.5174.60111.8V1188V1188-K1190 PolarHBondContact O-N 3.46Å
1191T22.7Very low24.9Very low127 Ų127132.8 Ų132.878%0.77977%0.767SS**  trans-136.966.8172.6560000113.3D1189D1189-T1191 VanDerWaalsContact C-N 3.27Å; D1189-T1191 PolarHBondContact O-N 2.73Å
1192A22.5Very low24.1Very low90 Ų90135.9 Ų135.974%0.74478%0.783SS**SBendtrans-148.398.616300000112.9
1193I23.4Very low23.6Very low151 Ų151136.3 Ų136.377%0.77478%0.78SS**  trans62.899.7145.5-53.2170000117.2T1195I1193-T1195 HydrophobicContact CG2-CG2 4.25Å; I1193-T1195 PolarHBondContact O-N 3.1Å
1194N21.3Very low23.3Very low171 Ų171137.8 Ų137.891%0.91478%0.782SS**  trans-63.2111.6158.9-70.8-25000111.3
1195T24.6Very low23.3Very low123 Ų123138.9 Ų138.976%0.75579%0.785SS**  trans-105.5103.1161.934.50000110.6I1193 I1197I1193-T1195 HydrophobicContact CG2-CG2 4.25Å; I1193-T1195 PolarHBondContact O-N 3.1Å; T1195-I1197 PolarHBondContact O-N 3.08Å
1196R21.5Very low23.3Very low239 Ų239139.6 Ų139.690%0.90279%0.785SS**  trans-2.4101.8171.5-73.1177.6173.2159.2-1.9116.6T1198R1196-T1198 PolarHBondContact O-N 2.62Å
1197I21.4Very low23.1Very low167 Ų167142.4 Ų142.486%0.85679%0.794SS**  trans-78.2105.8151.6-59.9176.7000106.9T1195 S1199T1195-I1197 PolarHBondContact O-N 3.08Å; I1197-S1199 PolarHBondContact O-N 3.11Å
1198T23.9Very low23Very low124 Ų124143.6 Ų143.676%0.76180%0.797SS**  trans-77.8109167.943.30000109.2R1196 G1200R1196-T1198 PolarHBondContact O-N 2.62Å; T1198-G1200 PolarHBondContact O-N 3.37Å; T1198-G1200 VanDerWaalsContact O-N 3.1Å
1199S22.1Very low22.7Very low116 Ų116143.6 Ų143.681%0.81180%0.799SS**  trans-61102.9174.649.80000111.9I1197I1197-S1199 PolarHBondContact O-N 3.11Å
1200G23.3Very low22.7Very low72 Ų72145.2 Ų145.274%0.74280%0.802SS**  trans-85122.8163.100000109.7T1198T1198-G1200 PolarHBondContact O-N 3.37Å; T1198-G1200 VanDerWaalsContact O-N 3.1Å
1201S23.7Very low22.7Very low108 Ų108144 Ų14476%0.75580%0.797SS**  trans-63.7140-173.4-169.50000113E1203S1201-E1203 PolarHBondContact O-N 3.39Å; S1201-E1203 VanDerWaalsContact O-N 3.14Å
1202L21.2Very low22.6Very low162 Ų162143.3 Ų143.385%0.84880%0.796SS**  trans-78.486.9171.8-174.374.9000109.1H1204L1202-H1204 PolarHBondContact O-N 3.13Å
1203E22.6Very low22.7Very low167 Ų167146 Ų14678%0.7880%0.798SS**  trans-70.7123.7176.2-74.1-167.9157.100111.7S1201 V1205S1201-E1203 PolarHBondContact O-N 3.39Å; S1201-E1203 VanDerWaalsContact O-N 3.14Å; E1203-V1205 PolarHBondContact O-N 3Å
1204H22.2Very low22.7Very low178 Ų178147.2 Ų147.282%0.82480%0.8SS**  trans-61.698.1171.5-91.7-108.7000110.9L1202 T1206L1202-H1204 PolarHBondContact O-N 3.13Å; H1204-T1206 PolarHBondContact O-N 2.96Å
1205V22.5Very low23.2Very low132 Ų132143.9 Ų143.980%0.879%0.789SS**  trans-86.395.5163-177.70000108.5E1203 I1207E1203-V1205 PolarHBondContact O-N 3Å; V1205-I1207 PolarHBondContact O-N 3.02Å
1206T22.4Very low23.5Very low117 Ų117141.3 Ų141.372%0.71879%0.787SS**  trans-60.4124.6173.327.80000111.1H1204 N1208H1204-T1206 PolarHBondContact O-N 2.96Å; T1206-N1208 PolarHBondContact O-N 3.26Å; T1206-N1208 VanDerWaalsContact O-N 3.1Å
1207I21.5Very low24.3Very low159 Ų159132.1 Ų132.182%0.81577%0.768SS**  trans-73.5102179.2-61.1164000108.5V1205 P1209V1205-I1207 PolarHBondContact O-N 3.02Å; I1207-P1209 WeakPolarHBondContact O-CD 3.4Å
1208N24.2Very low25.5Very low155 Ų155130.4 Ų130.483%0.82976%0.76SS**  trans-87.1111.8172.2-122.4-9.3000109.1T1206 E1210T1206-N1208 PolarHBondContact O-N 3.26Å; T1206-N1208 VanDerWaalsContact O-N 3.1Å; N1208-E1210 VanDerWaalsContact C-N 3.33Å; N1208-E1210 PolarHBondContact O-N 3.36Å; N1208-E1210 VanDerWaalsContact O-N 3.08Å
1209P21.9Very low26.5Very low113 Ų113128.2 Ų128.273%0.73475%0.75SS**  trans-90.649.4-163.737.8-37.4000113.5I1207I1207-P1209 WeakPolarHBondContact O-CD 3.4Å
1210E24.1Very low28.2Very low168 Ų168127.2 Ų127.279%0.78574%0.739SS**  trans-129.882.2-179.2-72.6-161.2177.700114.4N1208N1208-E1210 VanDerWaalsContact C-N 3.33Å; N1208-E1210 PolarHBondContact O-N 3.36Å; N1208-E1210 VanDerWaalsContact O-N 3.08Å
1211K24.3Very low30.4Very low186 Ų186126.3 Ų126.381%0.80972%0.715SS**  164.896.7128.7-90.6159.5-176.2166.10110.8N1213K1211-N1213 PolarHBondContact O-N 3.44Å
1212C20.2Very low32.8Very low111 Ų111123.5 Ų123.575%0.7570%0.698SS**  trans-63.5101.1161.1-87.60000110.2
1213N24.4Very low35.1Very low147 Ų147120.6 Ų120.679%0.78669%0.687SS**  trans-123.1103.1154.7-88.8-29.9000107.8K1211 S1215K1211-N1213 PolarHBondContact O-N 3.44Å; N1213-S1215 PolarHBondContact O-N 2.95Å; N1213-S1215 VanDerWaalsContact O-N 3.13Å
1214H24.4Very low37.5Very low177 Ų177116.9 Ų116.982%0.81967%0.671SS**  trans-69.6106.1-176.8-70.922.4000111
1215S30.8Very low40.4Very low100 Ų100108.7 Ų108.770%0.69963%0.634SS**  trans-111.747.9167.6570000111.7N1213 G1217N1213-S1215 PolarHBondContact O-N 2.95Å; N1213-S1215 VanDerWaalsContact O-N 3.13Å; S1215-G1217 PolarHBondContact O-N 2.99Å
1216G31.5Very low43Very low69 Ų69105.1 Ų105.171%0.71162%0.615SS**THydrogen-bonded Turntrans-65.920.3-177.800000116.8
1217G38.7Very low45.7Very low47 Ų47106.5 Ų106.549%0.48561%0.607SS.*THydrogen-bonded Turntrans-91.7-20.3-179.300000115.4S1215S1215-G1217 PolarHBondContact O-N 2.99Å
1218N46.4Very low48.8Very low130 Ų13099 Ų9970%0.69557%0.568SS**Hα-helixtrans-83.6-28.4-169.8-74.70.8000114.4A1222N1218-A1222 WeakPolarHBondContact O-CB 3.47Å; N1218-A1222 PolarHBondContact O-N 3.37Å
1219S44.8Very low51.7Low79 Ų7993.5 Ų93.555%0.55254%0.538SS*.Hα-helixtrans-68.3-44-175.555.90000112.9H1221 A1222 V1223S1219-H1221 PolarHBondContact O-N 3.43Å; S1219-A1222 PolarHBondContact O-N 2.96Å; S1219-V1223 WeakPolarHBondContact O-CG2 3.39Å; S1219-V1223 PolarHBondContact O-N 3.28Å
1220T56.8Low54.5Low94 Ų9493.9 Ų93.958%0.57753%0.532SS*.Hα-helixtrans-65.7-38.217954.60000112V1223 M1224T1220-V1223 PolarHBondContact O-N 3.42Å; T1220-M1224 VanDerWaalsContact O-CG 3.25Å; T1220-M1224 WeakPolarHBondContact O-CG 3.32Å; T1220-M1224 PolarHBondContact O-N 3.23Å
1221H70.7Confident57Low53 Ų5386.8 Ų86.825%0.24550%0.502CS..Hα-helixtrans-65.6-44.7174.6-172.1-74.6000111.7S1219 V1223 M1224 C1225 N1318S1219-H1221 PolarHBondContact O-N 3.43Å; H1221-V1223 VanDerWaalsContact C-N 3.35Å; H1221-V1223 PolarHBondContact O-N 3.45Å; H1221-M1224 PolarHBondContact O-N 3.08Å; H1221-C1225 PolarHBondContact CE1-SG 3.01Å; H1221-C1225 PolarHBondContact O-N 3.32Å; H1221-N1318 PolarHBondContact CE1-ND2 3.41Å; H1221-N1318 PolarHBondContact ND1-ND2 3.21Å
1222A72.9Confident60Low49 Ų4977.9 Ų77.941%0.40546%0.464SS..Hα-helixtrans-58.8-4517600000111.7N1218 S1219 M1224 C1225 S1226N1218-A1222 WeakPolarHBondContact O-CB 3.47Å; N1218-A1222 PolarHBondContact O-N 3.37Å; S1219-A1222 PolarHBondContact O-N 2.96Å; A1222-M1224 PolarHBondContact O-N 3.4Å; A1222-C1225 WeakPolarHBondContact O-CB 3.14Å; A1222-C1225 PolarHBondContact O-N 3.44Å; A1222-S1226 PolarHBondContact O-N 3.09Å; A1222-S1226 PolarHBondContact O-OG 3.45Å
1223V69.4Low62.9Low101 Ų10175.1 Ų75.161%0.61244%0.443SS*.Hα-helixtrans-60.1-42.3174.8170.60000111.9S1219 T1220 H1221 S1226 W1227S1219-V1223 WeakPolarHBondContact O-CG2 3.39Å; S1219-V1223 PolarHBondContact O-N 3.28Å; T1220-V1223 PolarHBondContact O-N 3.42Å; H1221-V1223 VanDerWaalsContact C-N 3.35Å; H1221-V1223 PolarHBondContact O-N 3.45Å; V1223-S1226 PolarHBondContact O-N 2.98Å; V1223-W1227 WeakPolarHBondContact O-CB 3.41Å; V1223-W1227 PolarHBondContact O-N 2.86Å
1224M72.7Confident65.2Low89 Ų8969.1 Ų69.144%0.43842%0.416SS..Hα-helixtrans-66.4-35.1176.7-71.7-73.3-7400112.8T1220 H1221 A1222 L1228 T1413T1220-M1224 VanDerWaalsContact O-CG 3.25Å; T1220-M1224 WeakPolarHBondContact O-CG 3.32Å; T1220-M1224 PolarHBondContact O-N 3.23Å; H1221-M1224 PolarHBondContact O-N 3.08Å; A1222-M1224 PolarHBondContact O-N 3.4Å; M1224-L1228 PolarHBondContact O-N 3.48Å; M1224-L1228 VanDerWaalsContact O-N 3.11Å; M1224-T1413 HydrophobicContact CB-CG2 4.45Å
1225C83Confident68Low6 Ų660.8 Ų60.84%0.04138%0.377CS..Hα-helixtrans-65.5-50.4171.8-75.50000111.4H1221 A1222 W1227 L1228 E1229 D1320 L1324H1221-C1225 PolarHBondContact CE1-SG 3.01Å; H1221-C1225 PolarHBondContact O-N 3.32Å; A1222-C1225 WeakPolarHBondContact O-CB 3.14Å; A1222-C1225 PolarHBondContact O-N 3.44Å; C1225-W1227 VanDerWaalsContact C-N 3.3Å; C1225-W1227 PolarHBondContact O-N 3.28Å; C1225-L1228 CarbonylContact O-C 3.56Å; C1225-L1228 WeakPolarHBondContact O-CA 3.17Å; C1225-L1228 WeakPolarHBondContact O-CB 3.43Å; C1225-L1228 PolarHBondContact O-N 2.95Å; C1225-E1229 WeakPolarHBondContact O-CG 3.35Å; C1225-E1229 PolarHBondContact O-N 3.22Å; C1225-D1320 HydrophobicContact CB-CB 4.39Å; C1225-D1320 VanDerWaalsContact SG-CB 3.53Å; C1225-L1324 HydrophobicContact CB-CD1 4.17Å
1226S77.5Confident70.3Confident57 Ų5756 Ų5640%0.39934%0.344SS..Hα-helixtrans-62.4-35.5177.9-64.90000112.8A1222 V1223 L1228 E1229 I1230A1222-S1226 PolarHBondContact O-N 3.09Å; A1222-S1226 PolarHBondContact O-OG 3.45Å; V1223-S1226 PolarHBondContact O-N 2.98Å; S1226-L1228 VanDerWaalsContact C-N 3.35Å; S1226-E1229 PolarHBondContact O-N 3.32Å; S1226-I1230 VanDerWaalsContact O-CG1 3.3Å; S1226-I1230 WeakPolarHBondContact O-CG1 3.35Å; S1226-I1230 PolarHBondContact O-N 3.45Å
1227W80.1Confident72.4Confident146 Ų14659.2 Ų59.255%0.55334%0.336SS*.Hα-helixtrans-63.4-40.4172.3-171.190.4000112V1223 C1225 I1230 A1231 H1417V1223-W1227 WeakPolarHBondContact O-CB 3.41Å; V1223-W1227 PolarHBondContact O-N 2.86Å; C1225-W1227 VanDerWaalsContact C-N 3.3Å; C1225-W1227 PolarHBondContact O-N 3.28Å; W1227-I1230 PolarHBondContact O-N 3.42Å; W1227-A1231 HydrophobicContact CE3-CB 4.41Å; W1227-A1231 HydrophobicContact CZ3-CB 4.25Å; W1227-A1231 WeakPolarHBondContact O-CB 3.19Å; W1227-A1231 PolarHBondContact O-N 2.9Å; W1227-H1417 AromaticContact CH2-CE1 3.87Å; W1227-H1417 AromaticContact CH2-NE2 3.75Å; W1227-H1417 AromaticContact CZ3-CD2 3.73Å; W1227-H1417 AromaticContact CZ3-CG 3.93Å; W1227-H1417 AromaticContact CZ3-NE2 3.89Å
1228L85.2Confident74.3Confident1 Ų162 Ų621%0.00533%0.332CS..Hα-helixtrans-67.9-37.8174.2-178.854.7000112M1224 C1225 S1226 A1231 L1232 L1324 T1413 L1416 H1417M1224-L1228 PolarHBondContact O-N 3.48Å; M1224-L1228 VanDerWaalsContact O-N 3.11Å; C1225-L1228 CarbonylContact O-C 3.56Å; C1225-L1228 WeakPolarHBondContact O-CA 3.17Å; C1225-L1228 WeakPolarHBondContact O-CB 3.43Å; C1225-L1228 PolarHBondContact O-N 2.95Å; S1226-L1228 VanDerWaalsContact C-N 3.35Å; L1228-A1231 PolarHBondContact O-N 3.19Å; L1228-L1232 HydrophobicContact CD1-CD1 4.42Å; L1228-L1232 HydrophobicContact CD1-CG 4.15Å; L1228-L1232 HydrophobicContact CG-CD1 4.28Å; L1228-L1232 HydrophobicContact CG-CG 4.48Å; L1228-L1232 WeakPolarHBondContact O-CB 3.5Å; L1228-L1232 VanDerWaalsContact O-CG 3.24Å; L1228-L1232 WeakPolarHBondContact O-CG 3.46Å; L1228-L1232 PolarHBondContact O-N 2.88Å; L1228-L1324 HydrophobicContact CB-CD1 4.38Å; L1228-L1324 HydrophobicContact CD2-CB 4.27Å; L1228-L1324 HydrophobicContact CD2-CD1 3.95Å; L1228-L1324 HydrophobicContact CG-CD1 4.26Å; L1228-T1413 HydrophobicContact CD2-CG2 4.21Å; L1228-L1416 HydrophobicContact CD2-CB 3.75Å; L1228-L1416 HydrophobicContact CD2-CD1 4.16Å; L1228-H1417 HydrophobicContact CD1-CB 3.96Å
1229E87Confident75.9Confident40 Ų4057.2 Ų57.219%0.18731%0.306CS..Hα-helixtrans-58.1-48.5172.2-70.2-178139.400111.2C1225 S1226 A1231 L1232 V1233 L1249 R1323 L1324C1225-E1229 WeakPolarHBondContact O-CG 3.35Å; C1225-E1229 PolarHBondContact O-N 3.22Å; S1226-E1229 PolarHBondContact O-N 3.32Å; E1229-A1231 PolarHBondContact O-N 3.09Å; E1229-L1232 PolarHBondContact O-N 3.04Å; E1229-V1233 WeakPolarHBondContact O-CG2 3.31Å; E1229-V1233 PolarHBondContact O-N 3.25Å; E1229-L1249 HydrophobicContact CB-CD1 4.44Å; E1229-L1249 HydrophobicContact CB-CD2 4.11Å; E1229-L1249 HydrophobicContact CG-CD2 3.7Å; E1229-R1323 IonicContact OE1-CZ 3.38Å; E1229-R1323 IonicContact OE1-NH1 3.15Å; E1229-R1323 PolarHBondContact OE1-NH1 3.22Å; E1229-R1323 IonicContact OE1-NH2 2.66Å; E1229-R1323 PolarHBondContact OE1-NH2 2.99Å; E1229-L1324 HydrophobicContact CG-CD2 3.7Å
1230I79.9Confident77.7Confident122 Ų12256.1 Ų56.163%0.62631%0.307SS*.Hα-helixtrans-62.1-43.2176.2-65.7163.3000111.2S1226 W1227 L1232 V1233 G1234S1226-I1230 VanDerWaalsContact O-CG1 3.3Å; S1226-I1230 WeakPolarHBondContact O-CG1 3.35Å; S1226-I1230 PolarHBondContact O-N 3.45Å; W1227-I1230 PolarHBondContact O-N 3.42Å; I1230-L1232 VanDerWaalsContact C-N 3.32Å; I1230-L1232 PolarHBondContact O-N 2.71Å; I1230-V1233 PolarHBondContact O-N 3.34Å; I1230-G1234 PolarHBondContact O-N 3.23Å; I1230-G1234 VanDerWaalsContact O-N 3.09Å
1231A76Confident79Confident18 Ų1856.6 Ų56.615%0.14930%0.298CS..Hα-helixtrans-62-39.917700000111.8W1227 L1228 E1229 G1234 I1235W1227-A1231 HydrophobicContact CE3-CB 4.41Å; W1227-A1231 HydrophobicContact CZ3-CB 4.25Å; W1227-A1231 WeakPolarHBondContact O-CB 3.19Å; W1227-A1231 PolarHBondContact O-N 2.9Å; L1228-A1231 PolarHBondContact O-N 3.19Å; E1229-A1231 PolarHBondContact O-N 3.09Å; A1231-G1234 PolarHBondContact O-N 3.3Å; A1231-I1235 WeakPolarHBondContact O-CG1 3.47Å; A1231-I1235 PolarHBondContact O-N 3.22Å
1232L87.5Confident79.6Confident0 Ų056 Ų560%030%0.296CS..Hα-helixtrans-65-45.2175.5-70.9172.7000111.6L1228 E1229 I1230 G1234 I1235 G1236 I1245 L1324 I1327 I1328 A1420L1228-L1232 HydrophobicContact CD1-CD1 4.42Å; L1228-L1232 HydrophobicContact CD1-CG 4.15Å; L1228-L1232 HydrophobicContact CG-CD1 4.28Å; L1228-L1232 HydrophobicContact CG-CG 4.48Å; L1228-L1232 WeakPolarHBondContact O-CB 3.5Å; L1228-L1232 VanDerWaalsContact O-CG 3.24Å; L1228-L1232 WeakPolarHBondContact O-CG 3.46Å; L1228-L1232 PolarHBondContact O-N 2.88Å; E1229-L1232 PolarHBondContact O-N 3.04Å; I1230-L1232 VanDerWaalsContact C-N 3.32Å; I1230-L1232 PolarHBondContact O-N 2.71Å; L1232-G1234 PolarHBondContact O-N 2.99Å; L1232-I1235 PolarHBondContact O-N 3.43Å; L1232-G1236 PolarHBondContact O-N 3.32Å; L1232-I1245 HydrophobicContact CB-CD1 4.39Å; L1232-I1245 HydrophobicContact CB-CG2 4.38Å; L1232-I1245 WeakPolarHBondContact O-CD1 3.37Å; L1232-L1324 HydrophobicContact CD1-CD2 3.89Å; L1232-I1327 HydrophobicContact CD1-CG2 4.28Å; L1232-I1328 HydrophobicContact CD1-CD1 4.33Å; L1232-I1328 HydrophobicContact CD1-CG1 4.05Å; L1232-I1328 HydrophobicContact CD2-CD1 4.09Å; L1232-I1328 HydrophobicContact CD2-CG1 3.5Å; L1232-I1328 VanDerWaalsContact CD2-CG1 3.5Å; L1232-I1328 HydrophobicContact CG-CG1 4.44Å; L1232-A1420 HydrophobicContact CD2-CB 3.96Å
1233V82.2Confident80.1Confident52 Ų5258.7 Ų58.732%0.31530%0.304SS..Hα-helixtrans-52.5-45.1172.9171.40000111.1E1229 I1230 G1236 Y1237 L1242 I1245 L1249E1229-V1233 WeakPolarHBondContact O-CG2 3.31Å; E1229-V1233 PolarHBondContact O-N 3.25Å; I1230-V1233 PolarHBondContact O-N 3.34Å; V1233-G1236 PolarHBondContact O-N 2.69Å; V1233-Y1237 PolarHBondContact O-N 3.5Å; V1233-L1242 HydrophobicContact CG1-CD1 3.81Å; V1233-I1245 HydrophobicContact CG2-CG2 4.18Å; V1233-L1249 HydrophobicContact CG2-CD1 3.53Å
1234G72.1Confident80.9Confident22 Ų2255 Ų5523%0.22728%0.281CS..Hα-helixtrans-65.5-37.3175.900000114.3I1230 A1231 L1232 R1238I1230-G1234 PolarHBondContact O-N 3.23Å; I1230-G1234 VanDerWaalsContact O-N 3.09Å; A1231-G1234 PolarHBondContact O-N 3.3Å; L1232-G1234 PolarHBondContact O-N 2.99Å; G1234-R1238 WeakPolarHBondContact O-CG 3.27Å; G1234-R1238 PolarHBondContact O-N 3.45Å; G1234-R1238 PolarHBondContact O-NH1 2.95Å
1235I82.1Confident81.5Confident1 Ų150.8 Ų50.81%0.00526%0.26CS..Hα-helixtrans-67.9-45.1175-68.3168.1000110.3A1231 L1232 Y1237 R1238 L1239 L1331 A1420 E1424A1231-I1235 WeakPolarHBondContact O-CG1 3.47Å; A1231-I1235 PolarHBondContact O-N 3.22Å; L1232-I1235 PolarHBondContact O-N 3.43Å; I1235-Y1237 VanDerWaalsContact C-N 3.32Å; I1235-Y1237 PolarHBondContact O-N 2.83Å; I1235-R1238 PolarHBondContact O-N 3.5Å; I1235-L1239 HydrophobicContact CG2-CD1 3.78Å; I1235-L1239 HydrophobicContact CG2-CG 4.27Å; I1235-L1239 WeakPolarHBondContact O-CB 3.42Å; I1235-L1239 WeakPolarHBondContact O-CG 3.23Å; I1235-L1239 PolarHBondContact O-N 2.86Å; I1235-L1331 HydrophobicContact CG2-CD2 4.23Å; I1235-A1420 HydrophobicContact CD1-CB 3.89Å; I1235-E1424 HydrophobicContact CG2-CB 4.16Å
1236G80.5Confident81.5Confident0 Ų055.1 Ų55.10%028%0.278CS..Hα-helixtrans-59.7-40.7175.600000112.7L1232 V1233 L1239 G1240 R1241 L1242 I1245L1232-G1236 PolarHBondContact O-N 3.32Å; V1233-G1236 PolarHBondContact O-N 2.69Å; G1236-L1239 PolarHBondContact O-N 3.44Å; G1236-G1240 PolarHBondContact O-N 2.83Å; G1236-G1240 VanDerWaalsContact O-N 3.07Å; G1236-R1241 CarbonylContact O-C 3.46Å; G1236-R1241 PolarHBondContact O-N 2.81Å; G1236-L1242 PolarHBondContact O-N 3.2Å; G1236-I1245 VanDerWaalsContact CA-CD1 3.4Å
1237Y75.3Confident81.9Confident136 Ų13659.8 Ų59.853%0.53329%0.287SS..Hα-helixtrans-57.8-50.7172.4-179.3-98.8000111.8V1233 I1235 L1239 G1240 L1242V1233-Y1237 PolarHBondContact O-N 3.5Å; I1235-Y1237 VanDerWaalsContact C-N 3.32Å; I1235-Y1237 PolarHBondContact O-N 2.83Å; Y1237-L1239 VanDerWaalsContact C-N 3.28Å; Y1237-L1239 PolarHBondContact O-N 3.49Å; Y1237-G1240 PolarHBondContact O-N 2.89Å; Y1237-G1240 VanDerWaalsContact O-N 3.11Å; Y1237-L1242 HydrophobicContact CD2-CD2 4.3Å
1238R78.7Confident82.2Confident107 Ų10755.7 Ų55.740%0.40428%0.276SS..Hα-helixtrans-68.3-23.9-179.1-68-172.1-59.7-81.7-0.3114.2G1234 I1235 E1424G1234-R1238 WeakPolarHBondContact O-CG 3.27Å; G1234-R1238 PolarHBondContact O-N 3.45Å; G1234-R1238 PolarHBondContact O-NH1 2.95Å; I1235-R1238 PolarHBondContact O-N 3.5Å; R1238-E1424 IonicContact CZ-OE1 3.32Å; R1238-E1424 IonicContact NE-OE1 3.41Å; R1238-E1424 PolarHBondContact NE-OE1 3.2Å; R1238-E1424 IonicContact NH2-OE1 2.87Å; R1238-E1424 PolarHBondContact NH2-OE1 3.32Å; R1238-E1424 IonicContact NH2-OE2 3.78Å
1239L79.9Confident82Confident29 Ų2956.5 Ų56.515%0.15228%0.28CS..THydrogen-bonded Turntrans-90.7-0.9173.8-63.6-178.2000114I1235 G1236 Y1237 R1241 V1335 A1427I1235-L1239 HydrophobicContact CG2-CD1 3.78Å; I1235-L1239 HydrophobicContact CG2-CG 4.27Å; I1235-L1239 WeakPolarHBondContact O-CB 3.42Å; I1235-L1239 WeakPolarHBondContact O-CG 3.23Å; I1235-L1239 PolarHBondContact O-N 2.86Å; G1236-L1239 PolarHBondContact O-N 3.44Å; Y1237-L1239 VanDerWaalsContact C-N 3.28Å; Y1237-L1239 PolarHBondContact O-N 3.49Å; L1239-R1241 VanDerWaalsContact C-N 3.33Å; L1239-V1335 HydrophobicContact CD1-CG2 4.21Å; L1239-A1427 HydrophobicContact CD2-CB 3.56Å
1240G81.5Confident81.2Confident55 Ų5562.3 Ų62.357%0.56731%0.305SS*.THydrogen-bonded Turntrans65.335.6-176.200000113.2G1236 Y1237G1236-G1240 PolarHBondContact O-N 2.83Å; G1236-G1240 VanDerWaalsContact O-N 3.07Å; Y1237-G1240 PolarHBondContact O-N 2.89Å; Y1237-G1240 VanDerWaalsContact O-N 3.11Å
1241R84.6Confident80.2Confident105 Ų10562.4 Ų62.440%0.39631%0.306SS..  trans-133.829.8-178-64.5-58.3-171.6-91.3-1.9113G1236 L1239 D1243 L1244 I1245 L1331 D1334G1236-R1241 CarbonylContact O-C 3.46Å; G1236-R1241 PolarHBondContact O-N 2.81Å; L1239-R1241 VanDerWaalsContact C-N 3.33Å; R1241-D1243 VanDerWaalsContact C-N 3.26Å; R1241-D1243 PolarHBondContact O-N 3.25Å; R1241-L1244 PolarHBondContact O-N 3.44Å; R1241-I1245 PolarHBondContact O-N 2.77Å; R1241-L1331 HydrophobicContact CB-CD1 3.94Å; R1241-D1334 WeakPolarHBondContact CD-OD2 3.44Å; R1241-D1334 WeakPolarHBondContact CG-OD2 3.43Å; R1241-D1334 IonicContact CZ-OD2 3.44Å; R1241-D1334 IonicContact NE-OD1 3.08Å; R1241-D1334 IonicContact NE-OD2 2.73Å; R1241-D1334 PolarHBondContact NE-OD2 3.41Å
1242L83.2Confident78.3Confident39 Ų3969.4 Ų69.420%0.20433%0.334CS..Hα-helixtrans-56.8-39.7179.1-179.261.9000112.2V1233 G1236 Y1237 L1244 I1245 K1246V1233-L1242 HydrophobicContact CG1-CD1 3.81Å; G1236-L1242 PolarHBondContact O-N 3.2Å; Y1237-L1242 HydrophobicContact CD2-CD2 4.3Å; L1242-L1244 PolarHBondContact O-N 3.28Å; L1242-I1245 PolarHBondContact O-N 3.02Å; L1242-K1246 HydrophobicContact CD1-CG 4.31Å; L1242-K1246 HydrophobicContact CG-CD 4.11Å; L1242-K1246 HydrophobicContact CG-CG 4.34Å; L1242-K1246 WeakPolarHBondContact O-CG 3.48Å; L1242-K1246 PolarHBondContact O-N 3.45Å
1243D84.6Confident75.6Confident107 Ų10773.9 Ų73.957%0.57237%0.365SS*.Hα-helixtrans-69.5-34.4-175.9-55.7-41.6000112.8R1241 R1247R1241-D1243 VanDerWaalsContact C-N 3.26Å; R1241-D1243 PolarHBondContact O-N 3.25Å; D1243-R1247 WeakPolarHBondContact O-CB 3.44Å; D1243-R1247 PolarHBondContact O-N 2.83Å
1244L86.6Confident73Confident24 Ų2479 Ų7913%0.12639%0.39CS..Hα-helixtrans-62.7-47.4172180152.3000110.3R1241 L1242 R1247 L1248 L1331 D1334R1241-L1244 PolarHBondContact O-N 3.44Å; L1242-L1244 PolarHBondContact O-N 3.28Å; L1244-R1247 PolarHBondContact O-N 2.66Å; L1244-L1248 HydrophobicContact CD2-CD1 3.59Å; L1244-L1248 HydrophobicContact CD2-CG 4.47Å; L1244-L1248 HydrophobicContact CG-CD1 4.26Å; L1244-L1248 WeakPolarHBondContact O-CG 3.35Å; L1244-L1248 PolarHBondContact O-N 3.08Å; L1244-L1331 HydrophobicContact CD2-CB 4.31Å; L1244-L1331 HydrophobicContact CD2-CD1 4.14Å; L1244-D1334 HydrophobicContact CD1-CB 3.51Å; L1244-D1334 VanDerWaalsContact CD1-CG 3.45Å
1245I84.2Confident70.6Confident0 Ų083 Ų830%041%0.414CS..Hα-helixtrans-68-40-179.9-63.8-170.5000111.5L1232 V1233 G1236 R1241 L1242 L1248 L1249 L1331L1232-I1245 HydrophobicContact CB-CD1 4.39Å; L1232-I1245 HydrophobicContact CB-CG2 4.38Å; L1232-I1245 WeakPolarHBondContact O-CD1 3.37Å; V1233-I1245 HydrophobicContact CG2-CG2 4.18Å; G1236-I1245 VanDerWaalsContact CA-CD1 3.4Å; R1241-I1245 PolarHBondContact O-N 2.77Å; L1242-I1245 PolarHBondContact O-N 3.02Å; I1245-L1248 PolarHBondContact O-N 3.49Å; I1245-L1249 HydrophobicContact CG2-CD1 3.59Å; I1245-L1249 HydrophobicContact CG2-CG 4.05Å; I1245-L1249 WeakPolarHBondContact O-CB 3.31Å; I1245-L1249 WeakPolarHBondContact O-CG 3.21Å; I1245-L1249 PolarHBondContact O-N 2.99Å; I1245-L1331 HydrophobicContact CD1-CD1 4Å; I1245-L1331 HydrophobicContact CD1-CD2 3.79Å; I1245-L1331 HydrophobicContact CD1-CG 4.47Å; I1245-L1331 HydrophobicContact CG1-CD1 4.1Å
1246K82.7Confident67.7Low96 Ų9692.6 Ų92.642%0.41746%0.457SS..Hα-helixtrans-57.5-50.6172.5-77.2177.3175.1175.70111L1242 L1248 L1249 F1250L1242-K1246 HydrophobicContact CD1-CG 4.31Å; L1242-K1246 HydrophobicContact CG-CD 4.11Å; L1242-K1246 HydrophobicContact CG-CG 4.34Å; L1242-K1246 WeakPolarHBondContact O-CG 3.48Å; L1242-K1246 PolarHBondContact O-N 3.45Å; K1246-L1248 VanDerWaalsContact C-N 3.29Å; K1246-L1248 PolarHBondContact O-N 3.36Å; K1246-L1249 PolarHBondContact O-N 3.32Å; K1246-F1250 HydrophobicContact CB-CD2 4.25Å; K1246-F1250 HydrophobicContact CG-CE2 4.4Å; K1246-F1250 WeakPolarHBondContact O-CB 3.45Å; K1246-F1250 VanDerWaalsContact O-CD2 3.29Å; K1246-F1250 WeakPolarHBondContact O-CD2 3.2Å; K1246-F1250 PolarHBondContact O-N 3.44Å
1247R86.7Confident64.9Low156 Ų15699.4 Ų99.459%0.58950%0.499SS*.Hα-helixtrans-58.4-40.4-179.9-161.1-176.6-56.7119.32.1112.2D1243 L1244 N1251D1243-R1247 WeakPolarHBondContact O-CB 3.44Å; D1243-R1247 PolarHBondContact O-N 2.83Å; L1244-R1247 PolarHBondContact O-N 2.66Å; R1247-N1251 PolarHBondContact O-N 2.89Å
1248L86.5Confident62.3Low60 Ų60100.7 Ų100.731%0.31451%0.509SS..Hα-helixtrans-78.2-27.6179.2-66.1178.3000114.5L1244 I1245 K1246 I1327L1244-L1248 HydrophobicContact CD2-CD1 3.59Å; L1244-L1248 HydrophobicContact CD2-CG 4.47Å; L1244-L1248 HydrophobicContact CG-CD1 4.26Å; L1244-L1248 WeakPolarHBondContact O-CG 3.35Å; L1244-L1248 PolarHBondContact O-N 3.08Å; I1245-L1248 PolarHBondContact O-N 3.49Å; K1246-L1248 VanDerWaalsContact C-N 3.29Å; K1246-L1248 PolarHBondContact O-N 3.36Å; L1248-I1327 HydrophobicContact CB-CD1 4.18Å; L1248-I1327 HydrophobicContact CB-CG1 4.02Å; L1248-I1327 HydrophobicContact CB-CG2 4.28Å; L1248-I1327 HydrophobicContact CD1-CG2 4.18Å
1249L81.4Confident59.6Low17 Ų17102.7 Ų102.79%0.08953%0.528CS..Hα-helixtrans-82-37.6176.2-74.4176.7000112.8E1229 V1233 I1245 K1246 R1323 L1324 I1327E1229-L1249 HydrophobicContact CB-CD1 4.44Å; E1229-L1249 HydrophobicContact CB-CD2 4.11Å; E1229-L1249 HydrophobicContact CG-CD2 3.7Å; V1233-L1249 HydrophobicContact CG2-CD1 3.53Å; I1245-L1249 HydrophobicContact CG2-CD1 3.59Å; I1245-L1249 HydrophobicContact CG2-CG 4.05Å; I1245-L1249 WeakPolarHBondContact O-CB 3.31Å; I1245-L1249 WeakPolarHBondContact O-CG 3.21Å; I1245-L1249 PolarHBondContact O-N 2.99Å; K1246-L1249 PolarHBondContact O-N 3.32Å; L1249-R1323 PolarHBondContact O-NH2 2.85Å; L1249-L1324 HydrophobicContact CD2-CD2 4.48Å; L1249-I1327 HydrophobicContact CD2-CD1 3.67Å; L1249-I1327 HydrophobicContact CG-CD1 4.3Å
1250F69.9Low57.1Low162 Ų162106.6 Ų106.671%0.71156%0.555SS**Hα-helixtrans-89.7-16.7-172.7-73.2-71.7000115.2K1246 K1252K1246-F1250 HydrophobicContact CB-CD2 4.25Å; K1246-F1250 HydrophobicContact CG-CE2 4.4Å; K1246-F1250 WeakPolarHBondContact O-CB 3.45Å; K1246-F1250 VanDerWaalsContact O-CD2 3.29Å; K1246-F1250 WeakPolarHBondContact O-CD2 3.2Å; K1246-F1250 PolarHBondContact O-N 3.44Å; F1250-K1252 PolarHBondContact O-N 3.19Å
1251N57.6Low54.3Low124 Ų124109.1 Ų109.166%0.66356%0.564SS**  trans-7193.1166.9-84.122.1000110R1247R1247-N1251 PolarHBondContact O-N 2.89Å
1252K36.8Very low51.3Low166 Ų166111.5 Ų111.572%0.72259%0.585SS**  trans-113.419.4-179.5-126.2-179.4-175.5-179.70113.7F1250F1250-K1252 PolarHBondContact O-N 3.19Å
1253S30.7Very low48.6Very low93 Ų93115.3 Ų115.365%0.6561%0.61SS**  trans-158.9108.6169.351.40000108.6
1254D27.1Very low45.5Very low160 Ų160118.3 Ų118.386%0.85662%0.621SS**  -178.6152.2115.9-84.9-15.9000109.9
1255S22.2Very low42.5Very low105 Ų105122.5 Ų122.573%0.73465%0.647SS**  trans-69.7159.3-172.146.10000113.4T1257S1255-T1257 PolarHBondContact O-N 3.01Å
1256F20.6Very low39.7Very low204 Ų204130.4 Ų130.490%0.89568%0.684SS**  trans-27.3113.6156.4-70.7-102.1000114.4
1257T22Very low36.8Very low143 Ų143132.2 Ų132.288%0.87770%0.703SS**  -151.1140.6123.218.40000109.9S1255S1255-T1257 PolarHBondContact O-N 3.01Å
1258E20.7Very low33.8Very low162 Ų162129.6 Ų129.676%0.75771%0.708SS**  trans-85.8142177.3-59.3160.2140.400109.1
1259N22.6Very low30.7Very low149 Ų149136.5 Ų136.580%0.79774%0.735SS**  169.3163.5111.1-86.4-51.8000113.6
1260P26.9Very low28.1Very low111 Ų111144.1 Ų144.172%0.72177%0.77SS**  trans-127.2149.6-154.940.5-26000116.7
1261S22.5Very low25.9Very low109 Ų109143.5 Ų143.576%0.76277%0.774SS**  trans178.8126.6150.952.40000107.5
1262N21.4Very low24.4Very low155 Ų155145.2 Ų145.283%0.82978%0.782SS**  47.2115.967.1-60.9-8.6000110.7
1263T26.4Very low23.7Very low118 Ų118145.6 Ų145.672%0.72478%0.784SS**  cis-147.2154.147.145.40000111
1264E20.7Very low23.3Very low171 Ų171149.8 Ų149.880%0.79979%0.793SS**  40.8126.593.3-36.5-176.6150.500112.8
1265T24.1Very low23.1Very low112 Ų112148.1 Ų148.169%0.68779%0.794SS**  cis-162.6163.242.115.70000113.9
1266E23.4Very low23.1Very low165 Ų165149.9 Ų149.977%0.77180%0.795SS**  trans73.1122.4142.5-75.4169.5179.900121.1
1267V23Very low23.3Very low135 Ų135147.6 Ų147.682%0.81879%0.787SS**  71.6130.783.2172.90000111.8
1268C23.1Very low23.4Very low101 Ų101147 Ų14768%0.68278%0.778SS**  cis-142.5162.38-159.80000110.8
1269K21.4Very low23.5Very low204 Ų204149 Ų14989%0.88779%0.785SS**  trans-87.4118.8158.1-70.7179.1176.9-179.60108.5
1270Q27Very low23.6Very low178 Ų178144.9 Ų144.983%0.83278%0.777SS**  trans-144.4135160.9-115169.6-1.300111.6
1271D24.7Very low23.4Very low149 Ų149149.8 Ų149.880%0.79779%0.788SS**  trans-68175.2-159.6-58.1-74.5000117.7
1272L24.6Very low23.4Very low159 Ų159149.1 Ų149.183%0.83278%0.783SS**  trans97.992.8157-64.5162.8000119.8
1273K23.1Very low23.5Very low175 Ų175150.8 Ų150.876%0.76179%0.785SS**  44.3113.1129.8-77.7-173.8168-174.90121.1
1274E22.1Very low23.5Very low180 Ų180150.4 Ų150.484%0.84178%0.783SS**  44.3105.7123.5-61.9177.1134.200119.6
1275S22.7Very low23.6Very low125 Ų125150.8 Ų150.887%0.87479%0.785SS**  trans-152.7163.8130.1-162.70000111.3
1276L23.1Very low23.7Very low143 Ų143152.3 Ų152.375%0.74979%0.788SS**  trans-92159.6-160.4-81.7111.7000116.3
1277Q23.2Very low23.9Very low156 Ų156151.2 Ų151.273%0.72979%0.788SS**  trans98.6137.8133.1-94.9163.814.100122.3
1278N24Very low24Very low130 Ų130151.3 Ų151.370%0.69578%0.784SS**  trans74104.2160.5-59.4-28000116.9
1279K24.5Very low24.1Very low205 Ų205152.6 Ų152.689%0.89179%0.789SS**  73.8118.175.1-87.1-169.9170-176.40112.9
1280G23.6Very low24.1Very low62 Ų62148.8 Ų148.864%0.63978%0.783SS**  trans155.1103.1150.900000117.1
1281F24Very low24Very low214 Ų214145.3 Ų145.394%0.93978%0.778SS**  trans79.3162.8143.7-64-76000121.3
1282S22.1Very low23.9Very low95 Ų95145 Ų14566%0.66478%0.781SS**  trans-152.9141.1-143500000108.9
1283E23.2Very low23.9Very low189 Ų189142.3 Ų142.388%0.88378%0.782SS**  trans-176155161.2-103.3153.6-150.700105.8
1284V25.9Very low23.9Very low110 Ų110138.4 Ų138.467%0.66778%0.782SS**  cis177.2136.5-31.1132.50000103.7
1285E23.4Very low24.1Very low179 Ų179138.3 Ų138.384%0.83678%0.782SS**  trans60.5120.8160-72.6159.2-167.400122.1
1286N25.9Very low24.3Very low144 Ų144139.4 Ų139.477%0.7778%0.778SS**  trans-88.1169.3149.1-45.4-72.1000108.5
1287D26.6Very low24.7Very low142 Ų142138.3 Ų138.376%0.75978%0.78SS**  173.4151.5116.2-88-16.4000115.1
1288D25.4Very low25Very low137 Ų137135.6 Ų135.673%0.73378%0.776SS**  trans84153.5139.1-81-12000127.7
1289T25.5Very low24.9Very low128 Ų128136.1 Ų136.179%0.78578%0.779SS**  trans85.6114.4168.668.80000117.5
1290V22.1Very low24.8Very low125 Ų125131.5 Ų131.576%0.75877%0.773SS**  cis78111.135.7-170.30000112.4
1291S24.2Very low24.6Very low104 Ų104133.3 Ų133.373%0.72778%0.775SS**  -178.1140.287.9-51.40000108.9
1292V22.7Very low24.5Very low142 Ų142128.8 Ų128.886%0.86177%0.765SS**  53.6114.180.2-174.20000116.7
1293A24.3Very low24.5Very low103 Ų103133.1 Ų133.185%0.85177%0.772SS**  trans-167.9154.6140.700000110.9
1294A22.8Very low24.4Very low93 Ų93132 Ų13277%0.76977%0.767SS**  trans-121.2157.8-179.100000110.6
1295E28Very low24.1Very low179 Ų179131.3 Ų131.384%0.83677%0.767SS**  trans-146.5138.8155.3-75.6-157.4152.700113.1
1296D25.8Very low24Very low147 Ų147131.2 Ų131.279%0.78677%0.766SS**  trans79.1117.1138.3-654000126.3
1297C30.5Very low23.7Very low120 Ų120129.1 Ų129.181%0.81177%0.769SS**  trans-77-179.6154.4-1270000109.4
1298P29.8Very low23.5Very low99 Ų99129.1 Ų129.164%0.64377%0.768SS**  cis-149.7-173.329.644.5-22.4000118.1
1299D22Very low23.3Very low142 Ų142131.5 Ų131.576%0.75977%0.772SS**  trans56.6116.4146.3-62.2-26000122.6
1300S22Very low23.2Very low107 Ų107131.7 Ų131.775%0.74877%0.774SS**  167.2137.384.649.40000116.5
1301S19.9Very low23.3Very low100 Ų100131 Ų13170%0.69977%0.772SS**  trans6299.8146.864.80000122.5
1302V23Very low23.2Very low120 Ų120133.5 Ų133.573%0.72778%0.776SS**  54.9105.9104.8174.50000117.7
1303K22Very low23.1Very low185 Ų185131.8 Ų131.880%0.80477%0.77SS**  -177.2117.8104.8-90.3-171.7-174.1169.50114.4
1304H20.7Very low23.2Very low166 Ų166133.4 Ų133.477%0.76977%0.774SS**  trans47.6137.3136.7-69.3-73.4000125
1305S19.2Very low23.6Very low96 Ų96133.5 Ų133.567%0.67177%0.769SS**  trans86109.6132.855.10000120.8
1306E20.7Very low24.3Very low176 Ų176130.4 Ų130.482%0.82277%0.767SS**  88.683.5127.3-68.1175.9175.300118.8
1307A21.3Very low25.7Very low101 Ų101128.5 Ų128.584%0.83576%0.756SS**  trans-52.5128.6143.300000112
1308L21.8Very low27.6Very low142 Ų142125.1 Ų125.174%0.74373%0.729SS**  trans-13894.2160.3-112.3165.4000111
1309K20.6Very low30Very low186 Ų186125.1 Ų125.181%0.80973%0.729SS**  trans50.4108.6150.6-66.4175.9-178.3175.90118.8
1310T23Very low32.9Very low133 Ų133121.1 Ų121.182%0.81671%0.708SS**  trans-50.5156142.8440000111.5
1311P25.2Very low36Very low110 Ų110116.1 Ų116.171%0.71467%0.673SS**  -129.9143.796.85.815.5000114.7
1312L21.7Very low39.2Very low157 Ų157117.4 Ų117.482%0.82267%0.666SS**  trans49.3112.5137.6-57.5163000117.4
1313S21.4Very low42.5Very low106 Ų106114.3 Ų114.374%0.74164%0.641SS**  cis-174113.43839.20000109.5S1315S1313-S1315 PolarHBondContact O-N 3.41Å; S1313-S1315 VanDerWaalsContact O-N 3.15Å
1314C25.8Very low45.8Very low136 Ų136105.5 Ų105.592%0.91960%0.603SS**  trans-69.7109.4163.2-170.10000106.6S1316C1314-S1316 PolarHBondContact O-N 3Å; C1314-S1316 VanDerWaalsContact O-N 3.11Å
1315S30.5Very low49.3Very low96 Ų9698 Ų9867%0.67157%0.569SS**  trans-58.3118.8177.355.10000108.5S1313 I1317S1313-S1315 PolarHBondContact O-N 3.41Å; S1313-S1315 VanDerWaalsContact O-N 3.15Å; S1315-I1317 PolarHBondContact O-N 3.45Å
1316S42.5Very low52.8Low114 Ų114100 Ų10080%0.79757%0.566SS**  trans-55.7104174.737.40000109.1C1314 N1318C1314-S1316 PolarHBondContact O-N 3Å; C1314-S1316 VanDerWaalsContact O-N 3.11Å; S1316-N1318 PolarHBondContact O-N 3.48Å
1317I55.3Low56.3Low106 Ų10692 Ų9254%0.54453%0.529SS..  trans-59.9115.1175.1-63175.6000106.1S1315S1315-I1317 PolarHBondContact O-N 3.45Å
1318N70.3Confident59.8Low49 Ų4987.2 Ų87.226%0.26249%0.489SS..  trans-58.4129.7-167.7-174.8-52.1000109.9H1221 S1316 D1320 V1321 K1322H1221-N1318 PolarHBondContact CE1-ND2 3.41Å; H1221-N1318 PolarHBondContact ND1-ND2 3.21Å; S1316-N1318 PolarHBondContact O-N 3.48Å; N1318-D1320 PolarHBondContact O-N 2.93Å; N1318-D1320 VanDerWaalsContact O-N 3.14Å; N1318-D1320 WeakPolarHBondContact OD1-CB 3.23Å; N1318-D1320 PolarHBondContact OD1-N 3.48Å; N1318-V1321 HydrophobicContact CB-CG2 4.13Å; N1318-V1321 PolarHBondContact O-N 3.07Å; N1318-K1322 PolarHBondContact O-N 2.8Å; N1318-K1322 VanDerWaalsContact O-N 3.13Å
1319P80.5Confident63.2Low99 Ų9981.4 Ų81.464%0.64346%0.458SS*.Hα-helixtrans-56.2-31.3-177.422.5-34.2000112.8K1322 R1323P1319-K1322 PolarHBondContact O-N 3.4Å; P1319-R1323 VanDerWaalsContact O-CB 3.31Å; P1319-R1323 WeakPolarHBondContact O-CB 3.33Å; P1319-R1323 PolarHBondContact O-N 3.06Å
1320D83.3Confident66.6Low59 Ų5975 Ų7532%0.31644%0.437SS..Hα-helixtrans-67.6-40.8176.8-64.6-35.4000112.4C1225 N1318 K1322 R1323 L1324C1225-D1320 HydrophobicContact CB-CB 4.39Å; C1225-D1320 VanDerWaalsContact SG-CB 3.53Å; N1318-D1320 PolarHBondContact O-N 2.93Å; N1318-D1320 VanDerWaalsContact O-N 3.14Å; N1318-D1320 WeakPolarHBondContact OD1-CB 3.23Å; N1318-D1320 PolarHBondContact OD1-N 3.48Å; D1320-K1322 VanDerWaalsContact C-N 3.33Å; D1320-R1323 WeakPolarHBondContact O-CB 3.44Å; D1320-R1323 PolarHBondContact O-N 3.33Å; D1320-L1324 WeakPolarHBondContact O-CB 3.47Å; D1320-L1324 VanDerWaalsContact O-CG 3.23Å; D1320-L1324 WeakPolarHBondContact O-CG 3.22Å; D1320-L1324 PolarHBondContact O-N 3.2Å
1321V86.2Confident69.8Low2 Ų268.6 Ų68.61%0.01240%0.398CS..Hα-helixtrans-65.7-41176.8179.80000109.7N1318 R1323 L1324 S1325 T1413 L1416N1318-V1321 HydrophobicContact CB-CG2 4.13Å; N1318-V1321 PolarHBondContact O-N 3.07Å; V1321-R1323 VanDerWaalsContact C-N 3.34Å; V1321-L1324 PolarHBondContact O-N 3.19Å; V1321-S1325 WeakPolarHBondContact O-CB 3.47Å; V1321-S1325 PolarHBondContact O-N 3.32Å; V1321-T1413 HydrophobicContact CG2-CG2 4.11Å; V1321-L1416 HydrophobicContact CG1-CD1 3.74Å; V1321-L1416 WeakPolarHBondContact O-CD1 3.5Å
1322K88Confident72.8Confident127 Ų12763.4 Ų63.455%0.55236%0.364SS*.Hα-helixtrans-71.4-26.7176.7-158.3173.5-173178.70113.1N1318 P1319 D1320 S1325 K1326N1318-K1322 PolarHBondContact O-N 2.8Å; N1318-K1322 VanDerWaalsContact O-N 3.13Å; P1319-K1322 PolarHBondContact O-N 3.4Å; D1320-K1322 VanDerWaalsContact C-N 3.33Å; K1322-S1325 PolarHBondContact O-OG 3.48Å; K1322-S1325 VanDerWaalsContact O-OG 3.1Å; K1322-K1326 WeakPolarHBondContact O-CG 3.47Å; K1322-K1326 PolarHBondContact O-N 3.29Å
1323R92Very high76Confident54 Ų5461.4 Ų61.420%0.20435%0.35CS..Hα-helixtrans-68.8-50.1168.2174.4173.7167.7-102.1-5.1110.2E1229 L1249 P1319 D1320 V1321 S1325 K1326 I1327E1229-R1323 IonicContact OE1-CZ 3.38Å; E1229-R1323 IonicContact OE1-NH1 3.15Å; E1229-R1323 PolarHBondContact OE1-NH1 3.22Å; E1229-R1323 IonicContact OE1-NH2 2.66Å; E1229-R1323 PolarHBondContact OE1-NH2 2.99Å; L1249-R1323 PolarHBondContact O-NH2 2.85Å; P1319-R1323 VanDerWaalsContact O-CB 3.31Å; P1319-R1323 WeakPolarHBondContact O-CB 3.33Å; P1319-R1323 PolarHBondContact O-N 3.06Å; D1320-R1323 WeakPolarHBondContact O-CB 3.44Å; D1320-R1323 PolarHBondContact O-N 3.33Å; V1321-R1323 VanDerWaalsContact C-N 3.34Å; R1323-S1325 VanDerWaalsContact C-N 3.35Å; R1323-S1325 PolarHBondContact O-N 3.03Å; R1323-K1326 WeakPolarHBondContact O-CB 3.3Å; R1323-K1326 PolarHBondContact O-N 3.07Å; R1323-I1327 HydrophobicContact CG-CD1 4.45Å; R1323-I1327 WeakPolarHBondContact O-CG1 3.25Å; R1323-I1327 PolarHBondContact O-N 3.24Å; R1323-I1327 VanDerWaalsContact O-N 3.09Å
1324L91.6Very high79Confident1 Ų159.6 Ų59.61%0.00533%0.332CS..Hα-helixtrans-66.3-33.2-178.9-67.5165.2000112.8C1225 L1228 E1229 L1232 L1249 D1320 V1321 I1327 I1328 L1416C1225-L1324 HydrophobicContact CB-CD1 4.17Å; L1228-L1324 HydrophobicContact CB-CD1 4.38Å; L1228-L1324 HydrophobicContact CD2-CB 4.27Å; L1228-L1324 HydrophobicContact CD2-CD1 3.95Å; L1228-L1324 HydrophobicContact CG-CD1 4.26Å; E1229-L1324 HydrophobicContact CG-CD2 3.7Å; L1232-L1324 HydrophobicContact CD1-CD2 3.89Å; L1249-L1324 HydrophobicContact CD2-CD2 4.48Å; D1320-L1324 WeakPolarHBondContact O-CB 3.47Å; D1320-L1324 VanDerWaalsContact O-CG 3.23Å; D1320-L1324 WeakPolarHBondContact O-CG 3.22Å; D1320-L1324 PolarHBondContact O-N 3.2Å; V1321-L1324 PolarHBondContact O-N 3.19Å; L1324-I1327 HydrophobicContact CD2-CD1 4.44Å; L1324-I1327 PolarHBondContact O-N 3.43Å; L1324-I1328 WeakPolarHBondContact O-CD1 3.48Å; L1324-I1328 WeakPolarHBondContact O-CG1 3.48Å; L1324-I1328 PolarHBondContact O-N 3.32Å; L1324-L1416 HydrophobicContact CB-CD1 3.94Å
1325S94.2Very high81.7Confident8 Ų854 Ų546%0.05629%0.294CS..Hα-helixtrans-64.9-43.4173.572.40000112.2V1321 K1322 R1323 I1327 I1328 L1329 V1407V1321-S1325 WeakPolarHBondContact O-CB 3.47Å; V1321-S1325 PolarHBondContact O-N 3.32Å; K1322-S1325 PolarHBondContact O-OG 3.48Å; K1322-S1325 VanDerWaalsContact O-OG 3.1Å; R1323-S1325 VanDerWaalsContact C-N 3.35Å; R1323-S1325 PolarHBondContact O-N 3.03Å; S1325-I1327 VanDerWaalsContact C-N 3.32Å; S1325-I1327 PolarHBondContact O-N 3.21Å; S1325-I1328 PolarHBondContact O-N 2.99Å; S1325-L1329 WeakPolarHBondContact O-CG 3.4Å; S1325-L1329 PolarHBondContact O-N 3.4Å; S1325-V1407 WeakPolarHBondContact CB-O 3.41Å; S1325-V1407 WeakPolarHBondContact O-CG1 3.47Å
1326K93.7Very high83.9Confident139 Ų13951.5 Ų51.560%0.60428%0.277SS*.Hα-helixtrans-57.5-42.9171-74.5-177.8173.4-167.40111.9K1322 R1323 I1328 L1329 S1330K1322-K1326 WeakPolarHBondContact O-CG 3.47Å; K1322-K1326 PolarHBondContact O-N 3.29Å; R1323-K1326 WeakPolarHBondContact O-CB 3.3Å; R1323-K1326 PolarHBondContact O-N 3.07Å; K1326-I1328 PolarHBondContact O-N 3.29Å; K1326-L1329 PolarHBondContact O-N 3.23Å; K1326-S1330 PolarHBondContact O-N 3.44Å; K1326-S1330 PolarHBondContact O-OG 2.88Å
1327I93.7Very high85.5Confident7 Ų747.5 Ų47.54%0.03625%0.248CC..Hα-helixtrans-61.2-43177.6-63-178.3000111.5L1232 L1248 L1249 R1323 L1324 S1325 S1330 L1331L1232-I1327 HydrophobicContact CD1-CG2 4.28Å; L1248-I1327 HydrophobicContact CB-CD1 4.18Å; L1248-I1327 HydrophobicContact CB-CG1 4.02Å; L1248-I1327 HydrophobicContact CB-CG2 4.28Å; L1248-I1327 HydrophobicContact CD1-CG2 4.18Å; L1249-I1327 HydrophobicContact CD2-CD1 3.67Å; L1249-I1327 HydrophobicContact CG-CD1 4.3Å; R1323-I1327 HydrophobicContact CG-CD1 4.45Å; R1323-I1327 WeakPolarHBondContact O-CG1 3.25Å; R1323-I1327 PolarHBondContact O-N 3.24Å; R1323-I1327 VanDerWaalsContact O-N 3.09Å; L1324-I1327 HydrophobicContact CD2-CD1 4.44Å; L1324-I1327 PolarHBondContact O-N 3.43Å; S1325-I1327 VanDerWaalsContact C-N 3.32Å; S1325-I1327 PolarHBondContact O-N 3.21Å; I1327-S1330 PolarHBondContact O-N 2.78Å; I1327-L1331 WeakPolarHBondContact O-CB 3.18Å; I1327-L1331 PolarHBondContact O-N 3.46Å
1328I94Very high86.3Confident0 Ų051.6 Ų51.60%026%0.262CS..Hα-helixtrans-74.5-29.3178.8-40.8136000112.3L1232 L1324 S1325 K1326 G1332 W1403 V1407 L1416 A1420L1232-I1328 HydrophobicContact CD1-CD1 4.33Å; L1232-I1328 HydrophobicContact CD1-CG1 4.05Å; L1232-I1328 HydrophobicContact CD2-CD1 4.09Å; L1232-I1328 HydrophobicContact CD2-CG1 3.5Å; L1232-I1328 VanDerWaalsContact CD2-CG1 3.5Å; L1232-I1328 HydrophobicContact CG-CG1 4.44Å; L1324-I1328 WeakPolarHBondContact O-CD1 3.48Å; L1324-I1328 WeakPolarHBondContact O-CG1 3.48Å; L1324-I1328 PolarHBondContact O-N 3.32Å; S1325-I1328 PolarHBondContact O-N 2.99Å; K1326-I1328 PolarHBondContact O-N 3.29Å; I1328-G1332 PolarHBondContact O-N 2.73Å; I1328-W1403 HydrophobicContact CG2-CH2 4.4Å; I1328-W1403 HydrophobicContact CG2-CZ2 4.34Å; I1328-V1407 HydrophobicContact CG2-CB 4.28Å; I1328-V1407 HydrophobicContact CG2-CG1 3.33Å; I1328-V1407 HydrophobicContact CG2-CG2 3.86Å; I1328-L1416 HydrophobicContact CD1-CB 3.79Å; I1328-L1416 HydrophobicContact CD1-CD2 4.1Å; I1328-L1416 HydrophobicContact CD1-CG 4.37Å; I1328-A1420 HydrophobicContact CD1-CB 4.21Å; I1328-A1420 HydrophobicContact CG1-CB 4.15Å
1329L93.5Very high86.4Confident20 Ų2050.6 Ų50.611%0.10526%0.263CS..Hα-helixtrans-61.8-50.5169.9-74.2166.5000110.7S1325 K1326 L1331 G1332 H1333 C1404 V1407 E1408S1325-L1329 WeakPolarHBondContact O-CG 3.4Å; S1325-L1329 PolarHBondContact O-N 3.4Å; K1326-L1329 PolarHBondContact O-N 3.23Å; L1329-L1331 VanDerWaalsContact C-N 3.34Å; L1329-L1331 PolarHBondContact O-N 2.81Å; L1329-G1332 WeakPolarHBondContact O-CA 3.41Å; L1329-G1332 PolarHBondContact O-N 3.48Å; L1329-H1333 PolarHBondContact O-CD2 2.94Å; L1329-H1333 PolarHBondContact O-N 2.92Å; L1329-C1404 HydrophobicContact CD2-CB 4.14Å; L1329-V1407 HydrophobicContact CD1-CG1 4.24Å; L1329-V1407 HydrophobicContact CD2-CB 3.93Å; L1329-V1407 HydrophobicContact CD2-CG1 3.96Å; L1329-V1407 HydrophobicContact CG-CB 4.19Å; L1329-V1407 HydrophobicContact CG-CG1 3.64Å; L1329-E1408 HydrophobicContact CD1-CG 3.68Å
1330S92.8Very high86.1Confident51 Ų5146.1 Ų46.136%0.35723%0.233SC..Hα-helixtrans-58.4-44.2176.7-61.80000112.2K1326 I1327 G1332 H1333 D1334K1326-S1330 PolarHBondContact O-N 3.44Å; K1326-S1330 PolarHBondContact O-OG 2.88Å; I1327-S1330 PolarHBondContact O-N 2.78Å; S1330-G1332 VanDerWaalsContact C-N 3.31Å; S1330-G1332 PolarHBondContact O-N 3.26Å; S1330-H1333 PolarHBondContact O-N 2.99Å; S1330-D1334 WeakPolarHBondContact O-CB 3.37Å; S1330-D1334 PolarHBondContact O-N 3.43Å
1331L90.1Very high85.4Confident0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-61.5-39173.8-177.367000112I1235 R1241 L1244 I1245 I1327 L1329 V1335 L1423I1235-L1331 HydrophobicContact CG2-CD2 4.23Å; R1241-L1331 HydrophobicContact CB-CD1 3.94Å; L1244-L1331 HydrophobicContact CD2-CB 4.31Å; L1244-L1331 HydrophobicContact CD2-CD1 4.14Å; I1245-L1331 HydrophobicContact CD1-CD1 4Å; I1245-L1331 HydrophobicContact CD1-CD2 3.79Å; I1245-L1331 HydrophobicContact CD1-CG 4.47Å; I1245-L1331 HydrophobicContact CG1-CD1 4.1Å; I1327-L1331 WeakPolarHBondContact O-CB 3.18Å; I1327-L1331 PolarHBondContact O-N 3.46Å; L1329-L1331 VanDerWaalsContact C-N 3.34Å; L1329-L1331 PolarHBondContact O-N 2.81Å; L1331-V1335 VanDerWaalsContact O-CG2 3.32Å; L1331-V1335 WeakPolarHBondContact O-CG2 3.46Å; L1331-V1335 PolarHBondContact O-N 2.91Å; L1331-V1335 VanDerWaalsContact O-N 3.08Å; L1331-L1423 HydrophobicContact CD2-CD2 4.2Å; L1331-L1423 HydrophobicContact CG-CD2 4.05Å
1332G87.8Confident84.5Confident0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-64.2-49.2175.300000112.6I1328 L1329 S1330 D1334 V1335 S1336 W1400I1328-G1332 PolarHBondContact O-N 2.73Å; L1329-G1332 WeakPolarHBondContact O-CA 3.41Å; L1329-G1332 PolarHBondContact O-N 3.48Å; S1330-G1332 VanDerWaalsContact C-N 3.31Å; S1330-G1332 PolarHBondContact O-N 3.26Å; G1332-D1334 VanDerWaalsContact C-N 3.28Å; G1332-D1334 PolarHBondContact O-N 3.14Å; G1332-V1335 PolarHBondContact O-N 2.94Å; G1332-S1336 PolarHBondContact O-N 3.36Å; G1332-W1400 VanDerWaalsContact C-CH2 3.49Å; G1332-W1400 WeakPolarHBondContact O-CH2 3.46Å; G1332-W1400 WeakPolarHBondContact O-CZ2 3.48Å
1333H87.8Confident83.4Confident115 Ų11543.3 Ų43.353%0.53224%0.239SC..Hα-helixtrans-60.6-37.1178.7-78.2-72.6000112.4L1329 S1330 S1336L1329-H1333 PolarHBondContact O-CD2 2.94Å; L1329-H1333 PolarHBondContact O-N 2.92Å; S1330-H1333 PolarHBondContact O-N 2.99Å; H1333-S1336 WeakPolarHBondContact O-CA 3.49Å; H1333-S1336 PolarHBondContact O-N 3.33Å; H1333-S1336 VanDerWaalsContact O-N 3.17Å
1334D85.1Confident82.1Confident68 Ų6841.9 Ų41.936%0.36424%0.236SC..Hα-helixtrans-70.7-35175.9176.690.1000113.7R1241 L1244 S1330 G1332 S1336R1241-D1334 WeakPolarHBondContact CD-OD2 3.44Å; R1241-D1334 WeakPolarHBondContact CG-OD2 3.43Å; R1241-D1334 IonicContact CZ-OD2 3.44Å; R1241-D1334 IonicContact NE-OD1 3.08Å; R1241-D1334 IonicContact NE-OD2 2.73Å; R1241-D1334 PolarHBondContact NE-OD2 3.41Å; L1244-D1334 HydrophobicContact CD1-CB 3.51Å; L1244-D1334 VanDerWaalsContact CD1-CG 3.45Å; S1330-D1334 WeakPolarHBondContact O-CB 3.37Å; S1330-D1334 PolarHBondContact O-N 3.43Å; G1332-D1334 VanDerWaalsContact C-N 3.28Å; G1332-D1334 PolarHBondContact O-N 3.14Å; D1334-S1336 VanDerWaalsContact C-N 3.25Å; D1334-S1336 PolarHBondContact O-N 3.41Å
1335V82.4Confident80.9Confident20 Ų2042.5 Ų42.512%0.12124%0.241CC..Hα-helixtrans-67.6-28.9168.1173.80000111.5L1239 L1331 G1332 G1339 V1340 L1423 A1427L1239-V1335 HydrophobicContact CD1-CG2 4.21Å; L1331-V1335 VanDerWaalsContact O-CG2 3.32Å; L1331-V1335 WeakPolarHBondContact O-CG2 3.46Å; L1331-V1335 PolarHBondContact O-N 2.91Å; L1331-V1335 VanDerWaalsContact O-N 3.08Å; G1332-V1335 PolarHBondContact O-N 2.94Å; V1335-G1339 WeakPolarHBondContact O-CA 3.49Å; V1335-G1339 PolarHBondContact O-N 3.33Å; V1335-V1340 HydrophobicContact CG1-CG2 3.53Å; V1335-L1423 HydrophobicContact CB-CD1 4.35Å; V1335-L1423 HydrophobicContact CG1-CD1 4.31Å; V1335-A1427 HydrophobicContact CG1-CB 3.98Å
1336S77.8Confident79.4Confident43 Ų4346.5 Ų46.530%0.30126%0.261SS..THydrogen-bonded Turntrans64.9147-177.9177.90000114.5G1332 H1333 D1334 K1338 G1339G1332-S1336 PolarHBondContact O-N 3.36Å; H1333-S1336 WeakPolarHBondContact O-CA 3.49Å; H1333-S1336 PolarHBondContact O-N 3.33Å; H1333-S1336 VanDerWaalsContact O-N 3.17Å; D1334-S1336 VanDerWaalsContact C-N 3.25Å; D1334-S1336 PolarHBondContact O-N 3.41Å; S1336-K1338 PolarHBondContact O-N 3.04Å; S1336-G1339 PolarHBondContact O-N 2.69Å
1337P75Confident77.1Confident30 Ų3043.4 Ų43.420%0.19525%0.252CS..THydrogen-bonded Turntrans-57-16.2173.220.7-33.4000114.8N1346 W1400P1337-N1346 HydrophobicContact CB-CB 4.22Å; P1337-W1400 HydrophobicContact CB-CB 4.06Å; P1337-W1400 HydrophobicContact CB-CD2 3.73Å; P1337-W1400 HydrophobicContact CB-CE3 4.19Å; P1337-W1400 HydrophobicContact CB-CG 3.64Å; P1337-W1400 HydrophobicContact CG-CD2 4.36Å; P1337-W1400 HydrophobicContact CG-CG 4.25Å
1338K72.5Confident74.5Confident192 Ų19250.2 Ų50.284%0.83528%0.283SS*.THydrogen-bonded Turntrans-81.4-27.7172.2-68.6-179179.2175.10113.2S1336 V1340S1336-K1338 PolarHBondContact O-N 3.04Å; K1338-V1340 VanDerWaalsContact C-N 3.26Å; K1338-V1340 PolarHBondContact O-N 3.03Å
1339G72.7Confident71.9Confident27 Ų2758.4 Ų58.428%0.27831%0.314SS..SBendtrans-84.97.8177.700000114V1335 S1336 A1427 A1430V1335-G1339 WeakPolarHBondContact O-CA 3.49Å; V1335-G1339 PolarHBondContact O-N 3.33Å; S1336-G1339 PolarHBondContact O-N 2.69Å; G1339-A1427 WeakPolarHBondContact O-CA 3.36Å; G1339-A1430 WeakPolarHBondContact O-CB 3.29Å
1340V74.7Confident68.8Low5 Ų561.7 Ų61.73%0.0334%0.335CS..  trans-124.8135.6-178.3-1670000109.6V1335 K1338 L1344 A1345 W1400 L1423V1335-V1340 HydrophobicContact CG1-CG2 3.53Å; K1338-V1340 VanDerWaalsContact C-N 3.26Å; K1338-V1340 PolarHBondContact O-N 3.03Å; V1340-L1344 HydrophobicContact CG1-CB 3.59Å; V1340-L1344 HydrophobicContact CG1-CD2 4.35Å; V1340-A1345 WeakPolarHBondContact O-CB 3.36Å; V1340-W1400 HydrophobicContact CG2-CZ3 3.9Å; V1340-L1423 HydrophobicContact CG2-CD1 3.91Å
1341A68.4Low65.7Low15 Ų1563.9 Ų63.912%0.12434%0.342CS..  trans-117.5149.2179.600000112.8G1426 R1429 A1430A1341-G1426 PolarHBondContact N-O 3.3Å; A1341-R1429 HydrophobicContact CB-CB 3.83Å; A1341-A1430 HydrophobicContact CB-CB 4.04Å
1342G66.3Low62.5Low35 Ų3574.1 Ų74.136%0.36138%0.381SS..SBendtrans93.8-150.4-175.800000112.5L1344 A1345G1342-L1344 PolarHBondContact O-N 2.83Å; G1342-L1344 VanDerWaalsContact O-N 3.12Å; G1342-A1345 WeakPolarHBondContact O-CB 3.36Å; G1342-A1345 PolarHBondContact O-N 2.76Å
1343P66.1Low59.5Low80 Ų8078 Ų7852%0.51941%0.408SS..THydrogen-bonded Turntrans-62.1-21.6-171.4-25.234.9000116G1399 C1483P1343-G1399 WeakPolarHBondContact O-CA 3.31Å; P1343-C1483 HydrophobicContact CG-CB 4.11Å
1344L64.4Low56.5Low24 Ų2481.1 Ų81.113%0.12642%0.423CS..THydrogen-bonded Turntrans-82.9-15.6174.9-76.887000113.2V1340 G1342 W1400 W1403 A1422V1340-L1344 HydrophobicContact CG1-CB 3.59Å; V1340-L1344 HydrophobicContact CG1-CD2 4.35Å; G1342-L1344 PolarHBondContact O-N 2.83Å; G1342-L1344 VanDerWaalsContact O-N 3.12Å; L1344-W1400 WeakPolarHBondContact O-CA 3.31Å; L1344-W1400 WeakPolarHBondContact O-CB 3.23Å; L1344-W1400 PolarHBondContact O-N 3.14Å; L1344-W1403 HydrophobicContact CD2-CB 4.13Å; L1344-W1403 VanDerWaalsContact CD2-CD1 3.49Å; L1344-W1403 HydrophobicContact CD2-CD2 3.99Å; L1344-W1403 HydrophobicContact CD2-CG 3.6Å; L1344-W1403 HydrophobicContact CG-CB 4.32Å; L1344-W1403 HydrophobicContact CG-CG 4.28Å; L1344-A1422 HydrophobicContact CD1-CB 4.29Å
1345A65.8Low53.6Low14 Ų1484 Ų8412%0.11645%0.445CS..SBendtrans-66.4160.2-177.300000111.5V1340 G1342 D1347V1340-A1345 WeakPolarHBondContact O-CB 3.36Å; G1342-A1345 WeakPolarHBondContact O-CB 3.36Å; G1342-A1345 PolarHBondContact O-N 2.76Å; A1345-D1347 HydrophobicContact CB-CB 4.34Å; A1345-D1347 PolarHBondContact O-N 2.67Å
1346N62.1Low50.9Low91 Ų9190.1 Ų90.149%0.48748%0.476SS..  trans-73.851.4164.9-119.330.4000111.3P1337 E1348 T1398P1337-N1346 HydrophobicContact CB-CB 4.22Å; N1346-E1348 PolarHBondContact O-N 2.83Å; N1346-T1398 WeakPolarHBondContact OD1-CB 3.43Å; N1346-T1398 WeakPolarHBondContact OD1-CG2 3.32Å; N1346-T1398 PolarHBondContact OD1-OG1 2.85Å
1347D47.1Very low48.3Very low75 Ų7595.1 Ų95.140%0.40150%0.499SS..  trans-78.8107.6-178.6-145.345.3000108.4A1345 R1349A1345-D1347 HydrophobicContact CB-CB 4.34Å; A1345-D1347 PolarHBondContact O-N 2.67Å; D1347-R1349 VanDerWaalsContact CG-NH1 3.34Å; D1347-R1349 PolarHBondContact O-N 2.98Å; D1347-R1349 IonicContact OD1-NH1 2.69Å; D1347-R1349 PolarHBondContact OD1-NH1 3.37Å; D1347-R1349 VanDerWaalsContact OD1-NH1 3.14Å; D1347-R1349 WeakPolarHBondContact OD2-CD 3.29Å; D1347-R1349 VanDerWaalsContact OD2-CG 3.28Å; D1347-R1349 WeakPolarHBondContact OD2-CG 3.5Å; D1347-R1349 IonicContact OD2-CZ 2.68Å; D1347-R1349 IonicContact OD2-NE 3.21Å; D1347-R1349 IonicContact OD2-NH1 2.79Å; D1347-R1349 PolarHBondContact OD2-NH1 2.8Å
1348E38.9Very low45.7Very low150 Ų150101.1 Ų101.170%0.70153%0.526SS*.G310 helixtrans-59.17.9175-68.5-175.2165.300113.9N1346 T1350 L1351N1346-E1348 PolarHBondContact O-N 2.83Å; E1348-T1350 PolarHBondContact O-N 3.28Å; E1348-T1350 VanDerWaalsContact O-N 3.16Å; E1348-L1351 HydrophobicContact CB-CD1 4.15Å; E1348-L1351 HydrophobicContact CB-CG 4.44Å; E1348-L1351 HydrophobicContact CG-CD1 4.13Å; E1348-L1351 WeakPolarHBondContact O-CA 3.28Å; E1348-L1351 VanDerWaalsContact O-CB 3.23Å; E1348-L1351 WeakPolarHBondContact O-CB 3.47Å; E1348-L1351 PolarHBondContact O-N 3.48Å
1349R37.6Very low43.4Very low171 Ų17197.1 Ų97.165%0.64552%0.523SS*.G310 helixtrans-65.9-10174.2-70.8-166.517387.22.7114.1D1347 L1351D1347-R1349 VanDerWaalsContact CG-NH1 3.34Å; D1347-R1349 PolarHBondContact O-N 2.98Å; D1347-R1349 IonicContact OD1-NH1 2.69Å; D1347-R1349 PolarHBondContact OD1-NH1 3.37Å; D1347-R1349 VanDerWaalsContact OD1-NH1 3.14Å; D1347-R1349 WeakPolarHBondContact OD2-CD 3.29Å; D1347-R1349 VanDerWaalsContact OD2-CG 3.28Å; D1347-R1349 WeakPolarHBondContact OD2-CG 3.5Å; D1347-R1349 IonicContact OD2-CZ 2.68Å; D1347-R1349 IonicContact OD2-NE 3.21Å; D1347-R1349 IonicContact OD2-NH1 2.79Å; D1347-R1349 PolarHBondContact OD2-NH1 2.8Å; R1349-L1351 VanDerWaalsContact C-N 3.3Å
1350T29.4Very low41Very low90 Ų90101.8 Ų101.855%0.55255%0.546SS*.G310 helixtrans-79.3-8.4163.143.50000113.6E1348 R1352E1348-T1350 PolarHBondContact O-N 3.28Å; E1348-T1350 VanDerWaalsContact O-N 3.16Å; T1350-R1352 VanDerWaalsContact C-N 3.34Å; T1350-R1352 PolarHBondContact O-N 3.46Å
1351L27.4Very low38.7Very low96 Ų96109 Ų10950%0.50358%0.584SS.*  trans-90.761.1169-54.2-178.6000111.1E1348 R1349E1348-L1351 HydrophobicContact CB-CD1 4.15Å; E1348-L1351 HydrophobicContact CB-CG 4.44Å; E1348-L1351 HydrophobicContact CG-CD1 4.13Å; E1348-L1351 WeakPolarHBondContact O-CA 3.28Å; E1348-L1351 VanDerWaalsContact O-CB 3.23Å; E1348-L1351 WeakPolarHBondContact O-CB 3.47Å; E1348-L1351 PolarHBondContact O-N 3.48Å; R1349-L1351 VanDerWaalsContact C-N 3.3Å
1352R23.7Very low36.5Very low216 Ų216118 Ų11882%0.81562%0.62SS**  trans-97.381168.7-77.4-174.1174.8-170.4-1111.3T1350T1350-R1352 VanDerWaalsContact C-N 3.34Å; T1350-R1352 PolarHBondContact O-N 3.46Å
1353S24.9Very low34.5Very low80 Ų80125.4 Ų125.456%0.55965%0.645SS**SBendtrans-157.1133.5161.844.30000107.2R1396S1353-R1396 PolarHBondContact OG-NH2 3.5Å
1354E23.8Very low32.5Very low181 Ų181127 Ų12785%0.84666%0.656SS**  trans-58.3143-162.4-64178.7133.600114.6I1356E1354-I1356 PolarHBondContact O-N 2.85Å
1355P25.3Very low30.6Very low128 Ų128131.9 Ų131.983%0.83169%0.687SS**  trans-72.6114.4157.37.19.2000108.3N1357P1355-N1357 PolarHBondContact O-N 3.5Å
1356I25.3Very low28.6Very low149 Ų149138.1 Ų138.176%0.76472%0.718SS**  trans-62.3129.9173.8-68.3171.3000109E1354 M1358E1354-I1356 PolarHBondContact O-N 2.85Å; I1356-M1358 HydrophobicContact CG2-CG 4.47Å; I1356-M1358 PolarHBondContact O-N 3.37Å; I1356-M1358 VanDerWaalsContact O-N 3.13Å
1357N22.3Very low26.8Very low149 Ų149142.2 Ų142.280%0.79774%0.739SS**  trans-76.297.6-172.8-165.817.4000110.8P1355P1355-N1357 PolarHBondContact O-N 3.5Å
1358M21.7Very low25.6Very low155 Ų155146.4 Ų146.476%0.76476%0.756SS**  trans-11583.9174.2-76-103.564.900110.5I1356 V1360I1356-M1358 HydrophobicContact CG2-CG 4.47Å; I1356-M1358 PolarHBondContact O-N 3.37Å; I1356-M1358 VanDerWaalsContact O-N 3.13Å; M1358-V1360 HydrophobicContact CE-CG2 4.49Å
1359S22.7Very low24.9Very low108 Ų108145.7 Ų145.776%0.75576%0.758SS**  trans-88.2100.1167.6161.70000109.7
1360V23.8Very low24.2Very low126 Ų126145 Ų14576%0.76477%0.765SS**  trans-138.1139.5161.2-176.20000110.6M1358M1358-V1360 HydrophobicContact CE-CG2 4.49Å
1361N24.6Very low23.8Very low155 Ų155150 Ų15083%0.82978%0.779SS**  trans-31.1144.3-175.8-80.7-23.4000119.6
1362K22.1Very low23.7Very low204 Ų204151.1 Ų151.189%0.88780%0.795SS**  trans-69.4126.9147.9-64.7175.9175.5-178.40110
1363Q24.6Very low23.7Very low191 Ų191148.8 Ų148.889%0.89379%0.794SS**  trans-155.1134.3130-115.5-172.9-5.200109.7
1364P23.9Very low23.7Very low113 Ų113151.9 Ų151.973%0.73480%0.804SS**  trans-104.4142.4179.837.2-30000112.5
1365T25.7Very low23.8Very low128 Ų128148.9 Ų148.979%0.78580%0.798SS**  trans177.6119.3138.334.60000108.9
1366D22.7Very low23.9Very low144 Ų144149.3 Ų149.377%0.7780%0.798SS**  trans25.3118.7142.8-41.2-34000119.7
1367L25.4Very low24.2Very low177 Ų177147.5 Ų147.593%0.92780%0.796SS**  -162.5157.5112.6-129.270.4000112
1368E22.5Very low24.3Very low163 Ų163145.7 Ų145.776%0.76280%0.795SS**  trans-88.9168.1-172.4-48.3176.5132.200114.2
1369N22.5Very low24.6Very low136 Ų136146.6 Ų146.673%0.72780%0.797SS**  trans77163.8141.1-79.1-43000121
1370I24.3Very low24.7Very low157 Ų157148.2 Ų148.281%0.80580%0.796SS**  trans93.594165.6-49.7-173.4000116.3
1371F21.2Very low24.9Very low194 Ų194149.3 Ų149.385%0.85179%0.792SS**  trans-40.4148.8151.2-68.6-107.7000113.6
1372S24.9Very low24.8Very low120 Ų120148.2 Ų148.284%0.83979%0.787SS**  -165.2142.1129.6-107.60000112.2
1373E22.8Very low25.1Very low167 Ų167143.6 Ų143.678%0.7878%0.78SS**  trans-64.9162.3172.4-56.1146.1123.200111.7
1374N25.5Very low24.9Very low145 Ų145142.1 Ų142.178%0.77578%0.778SS**  -178.8133.6121.2-97-42.5000117.8
1375T25.5Very low24.9Very low117 Ų117142.6 Ų142.672%0.71878%0.779SS**  trans60.5120.3140.355.20000125.7
1376V27.6Very low24.7Very low137 Ų137142 Ų14283%0.8378%0.776SS**  107.9143118.4159.10000119.7
1377P32.2Very low24.7Very low112 Ų112140 Ų14073%0.72778%0.779SS**  trans-127.6172.7-151.542.7-27000116.4
1378S25.1Very low24.5Very low111 Ų111138.4 Ų138.478%0.77677%0.771SS**  trans-164.1134.4152.4-18.70000115.1
1379E26.1Very low24.5Very low173 Ų173136 Ų13681%0.80877%0.773SS**  trans74.3103134.7-67.5-177.7-171.200124.7
1380I26.9Very low24.5Very low142 Ų142136.3 Ų136.373%0.72877%0.774SS**  93.1122.6108.7-83.6170.5000124.4
1381H27.2Very low24.4Very low149 Ų149137.5 Ų137.569%0.6978%0.778SS**  trans60.6111.4152.1-75.7-84.9000125.4
1382D22.4Very low24.7Very low132 Ų132135.8 Ų135.871%0.70678%0.777SS**  71.6137.7120.6-65.9-9.9000127.1
1383S27.3Very low24.7Very low107 Ų107136.9 Ų136.975%0.74877%0.769SS**  trans89.588.1142.170.10000121.2
1384N22.2Very low24.9Very low160 Ų160134.4 Ų134.486%0.85677%0.769SS**  56124.5119.9-84-9.1000122.4
1385V22.5Very low25.3Very low124 Ų124135 Ų13575%0.75277%0.766SS**  trans114.6114.9140.51710000119.1
1386T22.5Very low25.6Very low116 Ų116136.4 Ų136.471%0.71276%0.758SS**  trans63.696160.1480000121N1388T1386-N1388 PolarHBondContact O-N 2.9Å
1387A21.7Very low26.2Very low102 Ų102132.6 Ų132.684%0.84374%0.735SS**  41.756.2103.200000118S1389A1387-S1389 PolarHBondContact O-N 3.04Å
1388N21.8Very low27.9Very low142 Ų142128.9 Ų128.976%0.75971%0.71SS**  trans-75.9109.5155.6-97.1-42.2000109.3T1386 N1390T1386-N1388 PolarHBondContact O-N 2.9Å; N1388-N1390 PolarHBondContact O-N 3.25Å
1389S22.5Very low29.9Very low114 Ų114125 Ų12580%0.79769%0.687SS**  trans-71.561.8173.744.20000112.2A1387A1387-S1389 PolarHBondContact O-N 3.04Å
1390N22.5Very low32.4Very low141 Ų141117.5 Ų117.575%0.75465%0.651SS**  trans-121.245-179.7-92.3-22.5000112N1388N1388-N1390 PolarHBondContact O-N 3.25Å
1391M22.4Very low35Very low182 Ų182115.1 Ų115.190%0.89764%0.637SS**  trans-152.136.2164.9-130178-175.900115.6Q1393M1391-Q1393 PolarHBondContact O-N 2.94Å
1392I26.6Very low37.4Very low159 Ų159113.9 Ų113.982%0.81563%0.627SS**SBendtrans-72.6111.5157.4-60.3179.5000106.7S1394I1392-S1394 PolarHBondContact O-N 3.19Å
1393Q26.1Very low40.5Very low143 Ų143108 Ų10867%0.66859%0.594SS**  trans-48.1126.3179.4-70.1169.1-30.400110.5M1391 F1395M1391-Q1393 PolarHBondContact O-N 2.94Å; Q1393-F1395 VanDerWaalsContact C-N 3.25Å; Q1393-F1395 HydrophobicContact CB-CD2 4.45Å; Q1393-F1395 HydrophobicContact CB-CE2 4.13Å; Q1393-F1395 VanDerWaalsContact O-CD2 3.3Å; Q1393-F1395 WeakPolarHBondContact O-CD2 3.41Å; Q1393-F1395 PolarHBondContact O-N 2.94Å
1394S25.5Very low43.4Very low114 Ų114103.6 Ų103.680%0.79756%0.564SS**  trans-72.582177.8-175.10000110I1392 R1396I1392-S1394 PolarHBondContact O-N 3.19Å; S1394-R1396 PolarHBondContact O-N 3.22Å
1395F34.6Very low46.4Very low159 Ų15999 Ų9970%0.69754%0.541SS*.  trans-58.1106169-72.6-80000108.6Q1393 T1397Q1393-F1395 VanDerWaalsContact C-N 3.25Å; Q1393-F1395 HydrophobicContact CB-CD2 4.45Å; Q1393-F1395 HydrophobicContact CB-CE2 4.13Å; Q1393-F1395 VanDerWaalsContact O-CD2 3.3Å; Q1393-F1395 WeakPolarHBondContact O-CD2 3.41Å; Q1393-F1395 PolarHBondContact O-N 2.94Å; F1395-T1397 PolarHBondContact O-N 3.36Å
1396R33Very low49.5Very low145 Ų14594.5 Ų94.555%0.54751%0.513SS..  trans-66.693.7179.5-71.8-172.2-177.9-178.14.9109.1S1353 S1394S1353-R1396 PolarHBondContact OG-NH2 3.5Å; S1394-R1396 PolarHBondContact O-N 3.22Å
1397T39.2Very low52.7Low57 Ų5789 Ų8935%0.3548%0.479SS..  trans-71.1135.9178.641.30000111.9F1395 Q1401 R1402F1395-T1397 PolarHBondContact O-N 3.36Å; T1397-Q1401 VanDerWaalsContact CA-OE1 3.24Å; T1397-Q1401 HydrophobicContact CG2-CB 4.36Å; T1397-R1402 PolarHBondContact OG1-NH2 2.95Å
1398T67.3Low55.8Low35 Ų3590.3 Ų90.322%0.21547%0.468CS..  trans-73.5159.4171.770.40000110.4N1346 W1400 Q1401 R1402N1346-T1398 WeakPolarHBondContact OD1-CB 3.43Å; N1346-T1398 WeakPolarHBondContact OD1-CG2 3.32Å; N1346-T1398 PolarHBondContact OD1-OG1 2.85Å; T1398-W1400 PolarHBondContact O-N 3.43Å; T1398-Q1401 PolarHBondContact O-N 2.97Å; T1398-Q1401 VanDerWaalsContact O-N 3.13Å; T1398-Q1401 PolarHBondContact OG1-N 2.62Å; T1398-R1402 PolarHBondContact O-N 3.38Å
1399G67.7Low58.8Low28 Ų2890.1 Ų90.129%0.28946%0.462SS..Hα-helixtrans-59.8-29.3176.700000112.8P1343 W1403P1343-G1399 WeakPolarHBondContact O-CA 3.31Å; G1399-W1403 PolarHBondContact O-N 3.3Å
1400W79.7Confident61.8Low16 Ų1685.1 Ų85.16%0.06143%0.428CS..Hα-helixtrans-59.6-56.4169.3-175-107.1000112.8G1332 P1337 V1340 L1344 T1398 R1402 W1403 C1404 L1423G1332-W1400 VanDerWaalsContact C-CH2 3.49Å; G1332-W1400 WeakPolarHBondContact O-CH2 3.46Å; G1332-W1400 WeakPolarHBondContact O-CZ2 3.48Å; P1337-W1400 HydrophobicContact CB-CB 4.06Å; P1337-W1400 HydrophobicContact CB-CD2 3.73Å; P1337-W1400 HydrophobicContact CB-CE3 4.19Å; P1337-W1400 HydrophobicContact CB-CG 3.64Å; P1337-W1400 HydrophobicContact CG-CD2 4.36Å; P1337-W1400 HydrophobicContact CG-CG 4.25Å; V1340-W1400 HydrophobicContact CG2-CZ3 3.9Å; L1344-W1400 WeakPolarHBondContact O-CA 3.31Å; L1344-W1400 WeakPolarHBondContact O-CB 3.23Å; L1344-W1400 PolarHBondContact O-N 3.14Å; T1398-W1400 PolarHBondContact O-N 3.43Å; W1400-R1402 PolarHBondContact O-N 2.89Å; W1400-W1403 HydrophobicContact CE3-CE3 4.42Å; W1400-W1403 HydrophobicContact CH2-CE3 4.04Å; W1400-W1403 AromaticContact CH2-CZ3 3.8Å; W1400-W1403 HydrophobicContact CH2-CZ3 3.8Å; W1400-W1403 HydrophobicContact CZ2-CE3 4.41Å; W1400-W1403 HydrophobicContact CZ2-CZ3 4.2Å; W1400-W1403 HydrophobicContact CZ3-CE3 4.04Å; W1400-W1403 HydrophobicContact CZ3-CZ3 4.22Å; W1400-W1403 WeakPolarHBondContact O-CA 3.45Å; W1400-W1403 WeakPolarHBondContact O-CB 3.23Å; W1400-W1403 PolarHBondContact O-N 3.34Å; W1400-C1404 PolarHBondContact O-N 3.37Å; W1400-C1404 PolarHBondContact O-SG 2.95Å; W1400-L1423 HydrophobicContact CH2-CD1 3.99Å; W1400-L1423 HydrophobicContact CZ3-CD1 3.92Å
1401Q80.1Confident64.7Low92 Ų9282.4 Ų82.443%0.4342%0.42SS..Hα-helixtrans-57.7-38.2179.3-71.4170.8-35.300111.5T1397 T1398 W1403 C1404 V1405T1397-Q1401 VanDerWaalsContact CA-OE1 3.24Å; T1397-Q1401 HydrophobicContact CG2-CB 4.36Å; T1398-Q1401 PolarHBondContact O-N 2.97Å; T1398-Q1401 VanDerWaalsContact O-N 3.13Å; T1398-Q1401 PolarHBondContact OG1-N 2.62Å; Q1401-W1403 VanDerWaalsContact C-N 3.34Å; Q1401-C1404 PolarHBondContact O-N 3.08Å; Q1401-V1405 WeakPolarHBondContact O-CG2 3.46Å; Q1401-V1405 PolarHBondContact O-N 2.83Å; Q1401-V1405 VanDerWaalsContact O-N 3.07Å
1402R77.7Confident67.7Low124 Ų12476 Ų7647%0.46839%0.393SS..Hα-helixtrans-69.8-29.2176.9-161.1168-63.7-1690.2113.1T1397 T1398 W1400 N1406T1397-R1402 PolarHBondContact OG1-NH2 2.95Å; T1398-R1402 PolarHBondContact O-N 3.38Å; W1400-R1402 PolarHBondContact O-N 2.89Å; R1402-N1406 WeakPolarHBondContact O-CB 3.49Å; R1402-N1406 PolarHBondContact O-N 3.3Å; R1402-N1406 PolarHBondContact O-ND2 2.83Å
1403W87.9Confident70.4Confident8 Ų869 Ų693%0.0336%0.357CS..Hα-helixtrans-70.8-45.9170.4177.984.9000111.4I1328 L1344 G1399 W1400 Q1401 V1405 N1406 V1407 L1419 L1423I1328-W1403 HydrophobicContact CG2-CH2 4.4Å; I1328-W1403 HydrophobicContact CG2-CZ2 4.34Å; L1344-W1403 HydrophobicContact CD2-CB 4.13Å; L1344-W1403 VanDerWaalsContact CD2-CD1 3.49Å; L1344-W1403 HydrophobicContact CD2-CD2 3.99Å; L1344-W1403 HydrophobicContact CD2-CG 3.6Å; L1344-W1403 HydrophobicContact CG-CB 4.32Å; L1344-W1403 HydrophobicContact CG-CG 4.28Å; G1399-W1403 PolarHBondContact O-N 3.3Å; W1400-W1403 HydrophobicContact CE3-CE3 4.42Å; W1400-W1403 HydrophobicContact CH2-CE3 4.04Å; W1400-W1403 AromaticContact CH2-CZ3 3.8Å; W1400-W1403 HydrophobicContact CH2-CZ3 3.8Å; W1400-W1403 HydrophobicContact CZ2-CE3 4.41Å; W1400-W1403 HydrophobicContact CZ2-CZ3 4.2Å; W1400-W1403 HydrophobicContact CZ3-CE3 4.04Å; W1400-W1403 HydrophobicContact CZ3-CZ3 4.22Å; W1400-W1403 WeakPolarHBondContact O-CA 3.45Å; W1400-W1403 WeakPolarHBondContact O-CB 3.23Å; W1400-W1403 PolarHBondContact O-N 3.34Å; Q1401-W1403 VanDerWaalsContact C-N 3.34Å; W1403-V1405 PolarHBondContact O-N 3.31Å; W1403-N1406 PolarHBondContact O-N 3.37Å; W1403-N1406 VanDerWaalsContact O-N 3.15Å; W1403-V1407 HydrophobicContact CD2-CG2 4.12Å; W1403-V1407 HydrophobicContact CE3-CG2 4.44Å; W1403-V1407 HydrophobicContact CH2-CG2 4.17Å; W1403-V1407 HydrophobicContact CZ2-CG2 3.83Å; W1403-V1407 HydrophobicContact CZ3-CG2 4.46Å; W1403-V1407 WeakPolarHBondContact O-CG2 3.35Å; W1403-V1407 PolarHBondContact O-N 2.82Å; W1403-L1419 PolarHBondContact NE1-O 3.03Å; W1403-L1423 HydrophobicContact CH2-CB 4.41Å; W1403-L1423 HydrophobicContact CH2-CD1 4.26Å; W1403-L1423 HydrophobicContact CH2-CD2 4.02Å; W1403-L1423 HydrophobicContact CH2-CG 4.46Å; W1403-L1423 HydrophobicContact CZ2-CB 3.81Å; W1403-L1423 HydrophobicContact CZ2-CD1 4.39Å; W1403-L1423 HydrophobicContact CZ2-CD2 4.18Å; W1403-L1423 HydrophobicContact CZ2-CG 4.35Å
1404C88.4Confident72.9Confident15 Ų1564.5 Ų64.510%0.10135%0.345CS..Hα-helixtrans-54.8-51.8176.2-64.60000112L1329 W1400 Q1401 N1406 V1407 E1408L1329-C1404 HydrophobicContact CD2-CB 4.14Å; W1400-C1404 PolarHBondContact O-N 3.37Å; W1400-C1404 PolarHBondContact O-SG 2.95Å; Q1401-C1404 PolarHBondContact O-N 3.08Å; C1404-N1406 VanDerWaalsContact C-N 3.28Å; C1404-N1406 PolarHBondContact O-N 3Å; C1404-V1407 WeakPolarHBondContact O-CB 3.41Å; C1404-V1407 PolarHBondContact O-N 2.95Å; C1404-E1408 PolarHBondContact O-N 3.26Å
1405V84.9Confident75.7Confident64 Ų6463.3 Ų63.339%0.38833%0.327SS..Hα-helixtrans-58.6-38.7178.3172.20000112Q1401 W1403 V1407 E1408 Q1409Q1401-V1405 WeakPolarHBondContact O-CG2 3.46Å; Q1401-V1405 PolarHBondContact O-N 2.83Å; Q1401-V1405 VanDerWaalsContact O-N 3.07Å; W1403-V1405 PolarHBondContact O-N 3.31Å; V1405-V1407 VanDerWaalsContact C-N 3.34Å; V1405-V1407 PolarHBondContact O-N 3.38Å; V1405-E1408 PolarHBondContact O-N 3.15Å; V1405-Q1409 HydrophobicContact CG1-CG 4.41Å; V1405-Q1409 WeakPolarHBondContact O-CB 3.49Å; V1405-Q1409 VanDerWaalsContact O-CG 3.29Å; V1405-Q1409 WeakPolarHBondContact O-CG 3.42Å; V1405-Q1409 PolarHBondContact O-N 2.79Å
1406N86.8Confident78.3Confident28 Ų2855.8 Ų55.815%0.1529%0.294CS..Hα-helixtrans-69.7-28.7177-79.9-39.6000113.2R1402 W1403 C1404 A1410 L1419R1402-N1406 WeakPolarHBondContact O-CB 3.49Å; R1402-N1406 PolarHBondContact O-N 3.3Å; R1402-N1406 PolarHBondContact O-ND2 2.83Å; W1403-N1406 PolarHBondContact O-N 3.37Å; W1403-N1406 VanDerWaalsContact O-N 3.15Å; C1404-N1406 VanDerWaalsContact C-N 3.28Å; C1404-N1406 PolarHBondContact O-N 3Å; N1406-A1410 PolarHBondContact O-N 2.85Å; N1406-L1419 HydrophobicContact CB-CD1 4.27Å; N1406-L1419 HydrophobicContact CB-CD2 4.1Å; N1406-L1419 WeakPolarHBondContact O-CD1 3.23Å
1407V89.8Confident80.7Confident0 Ų050.5 Ų50.50%028%0.276CS..Hα-helixtrans-72.4-40.7173.5175.10000110.9S1325 I1328 L1329 W1403 C1404 V1405 Q1409 A1410 L1416 L1419S1325-V1407 WeakPolarHBondContact CB-O 3.41Å; S1325-V1407 WeakPolarHBondContact O-CG1 3.47Å; I1328-V1407 HydrophobicContact CG2-CB 4.28Å; I1328-V1407 HydrophobicContact CG2-CG1 3.33Å; I1328-V1407 HydrophobicContact CG2-CG2 3.86Å; L1329-V1407 HydrophobicContact CD1-CG1 4.24Å; L1329-V1407 HydrophobicContact CD2-CB 3.93Å; L1329-V1407 HydrophobicContact CD2-CG1 3.96Å; L1329-V1407 HydrophobicContact CG-CB 4.19Å; L1329-V1407 HydrophobicContact CG-CG1 3.64Å; W1403-V1407 HydrophobicContact CD2-CG2 4.12Å; W1403-V1407 HydrophobicContact CE3-CG2 4.44Å; W1403-V1407 HydrophobicContact CH2-CG2 4.17Å; W1403-V1407 HydrophobicContact CZ2-CG2 3.83Å; W1403-V1407 HydrophobicContact CZ3-CG2 4.46Å; W1403-V1407 WeakPolarHBondContact O-CG2 3.35Å; W1403-V1407 PolarHBondContact O-N 2.82Å; C1404-V1407 WeakPolarHBondContact O-CB 3.41Å; C1404-V1407 PolarHBondContact O-N 2.95Å; V1405-V1407 VanDerWaalsContact C-N 3.34Å; V1405-V1407 PolarHBondContact O-N 3.38Å; V1407-Q1409 VanDerWaalsContact C-N 3.33Å; V1407-Q1409 PolarHBondContact O-N 2.76Å; V1407-A1410 PolarHBondContact O-N 2.85Å; V1407-L1416 HydrophobicContact CG1-CD2 4.1Å; V1407-L1419 HydrophobicContact CB-CD1 4.39Å; V1407-L1419 HydrophobicContact CG2-CB 3.91Å; V1407-L1419 HydrophobicContact CG2-CD1 3.81Å; V1407-L1419 HydrophobicContact CG2-CG 4.29Å
1408E86.8Confident82.8Confident130 Ų13053.4 Ų53.461%0.60729%0.288SS*.Hα-helixtrans-64.5-36.6175.6-68.5178.2163.200112.6L1329 C1404 V1405L1329-E1408 HydrophobicContact CD1-CG 3.68Å; C1404-E1408 PolarHBondContact O-N 3.26Å; V1405-E1408 PolarHBondContact O-N 3.15Å
1409Q86Confident83.8Confident139 Ų13952.3 Ų52.365%0.6528%0.281SS*.THydrogen-bonded Turntrans-85.2-4.2179.7-67.7179.67.600114.2V1405 V1407 S1411V1405-Q1409 HydrophobicContact CG1-CG 4.41Å; V1405-Q1409 WeakPolarHBondContact O-CB 3.49Å; V1405-Q1409 VanDerWaalsContact O-CG 3.29Å; V1405-Q1409 WeakPolarHBondContact O-CG 3.42Å; V1405-Q1409 PolarHBondContact O-N 2.79Å; V1407-Q1409 VanDerWaalsContact C-N 3.33Å; V1407-Q1409 PolarHBondContact O-N 2.76Å; Q1409-S1411 PolarHBondContact O-N 2.58Å
1410A85.4Confident84.8Confident8 Ų851 Ų517%0.06627%0.267CS..  trans-69.1120.5-177.600000111.8N1406 V1407 Q1415 L1416 L1419N1406-A1410 PolarHBondContact O-N 2.85Å; V1407-A1410 PolarHBondContact O-N 2.85Å; A1410-Q1415 HydrophobicContact CB-CB 3.99Å; A1410-L1416 HydrophobicContact CB-CD2 3.52Å; A1410-L1416 HydrophobicContact CB-CG 3.95Å; A1410-L1419 HydrophobicContact CB-CD1 4.29Å
1411S83.3Confident84.9Confident85 Ų8554.5 Ų54.559%0.59428%0.281SS*.  trans-101.82-178.160.40000113.9Q1409Q1409-S1411 PolarHBondContact O-N 2.58Å
1412S84.7Confident85Confident47 Ų4751.6 Ų51.633%0.32927%0.272SS..SBendtrans-139142.7-177.8177.70000112.5A1414 Q1415 L1416S1412-A1414 PolarHBondContact O-N 3.4Å; S1412-A1414 PolarHBondContact OG-N 3.19Å; S1412-Q1415 WeakPolarHBondContact O-CB 3.4Å; S1412-Q1415 PolarHBondContact O-N 2.71Å; S1412-L1416 PolarHBondContact O-N 2.72Å; S1412-L1416 VanDerWaalsContact O-N 3.14Å
1413T83.2Confident85.5Confident11 Ų1145.7 Ų45.77%0.06725%0.25CS..Hα-helixtrans-54.1-33171.850.20000112.7M1224 L1228 V1321 L1416 H1417M1224-T1413 HydrophobicContact CB-CG2 4.45Å; L1228-T1413 HydrophobicContact CD2-CG2 4.21Å; V1321-T1413 HydrophobicContact CG2-CG2 4.11Å; T1413-L1416 PolarHBondContact O-N 2.98Å; T1413-H1417 WeakPolarHBondContact O-CB 3.3Å; T1413-H1417 PolarHBondContact O-N 2.93Å
1414A79.9Confident85.3Confident50 Ų5045.9 Ų45.941%0.41325%0.251SS..Hα-helixtrans-68.1-38.8176.400000112.8S1412 H1417 L1418S1412-A1414 PolarHBondContact O-N 3.4Å; S1412-A1414 PolarHBondContact OG-N 3.19Å; A1414-H1417 PolarHBondContact O-N 2.91Å; A1414-L1418 WeakPolarHBondContact O-CG 3.49Å; A1414-L1418 PolarHBondContact O-N 3.46Å; A1414-L1418 VanDerWaalsContact O-N 3.09Å
1415Q83.4Confident84.7Confident89 Ų8952.4 Ų52.442%0.41627%0.274SS..Hα-helixtrans-65.1-44.8174.8-69.6173.5-21.300110.6A1410 S1412 L1418 L1419A1410-Q1415 HydrophobicContact CB-CB 3.99Å; S1412-Q1415 WeakPolarHBondContact O-CB 3.4Å; S1412-Q1415 PolarHBondContact O-N 2.71Å; Q1415-L1418 PolarHBondContact O-N 3.18Å; Q1415-L1419 WeakPolarHBondContact O-CG 3.33Å; Q1415-L1419 PolarHBondContact O-N 2.74Å
1416L88.2Confident84.4Confident0 Ų049.5 Ų49.50%026%0.257CS..Hα-helixtrans-60.8-44.7175.7-70.5-178.2000112.6L1228 V1321 L1324 I1328 V1407 A1410 S1412 T1413 L1418 L1419 A1420L1228-L1416 HydrophobicContact CD2-CB 3.75Å; L1228-L1416 HydrophobicContact CD2-CD1 4.16Å; V1321-L1416 HydrophobicContact CG1-CD1 3.74Å; V1321-L1416 WeakPolarHBondContact O-CD1 3.5Å; L1324-L1416 HydrophobicContact CB-CD1 3.94Å; I1328-L1416 HydrophobicContact CD1-CB 3.79Å; I1328-L1416 HydrophobicContact CD1-CD2 4.1Å; I1328-L1416 HydrophobicContact CD1-CG 4.37Å; V1407-L1416 HydrophobicContact CG1-CD2 4.1Å; A1410-L1416 HydrophobicContact CB-CD2 3.52Å; A1410-L1416 HydrophobicContact CB-CG 3.95Å; S1412-L1416 PolarHBondContact O-N 2.72Å; S1412-L1416 VanDerWaalsContact O-N 3.14Å; T1413-L1416 PolarHBondContact O-N 2.98Å; L1416-L1418 VanDerWaalsContact C-N 3.35Å; L1416-L1418 PolarHBondContact O-N 3.19Å; L1416-L1419 PolarHBondContact O-N 3.45Å; L1416-A1420 WeakPolarHBondContact O-CB 3.25Å; L1416-A1420 PolarHBondContact O-N 2.95Å
1417H84Confident84Confident35 Ų3548.5 Ų48.516%0.16225%0.252CS..Hα-helixtrans-59.3-44.1175.7179.7-110.6000111.9W1227 L1228 T1413 A1414 L1419 A1420 R1421W1227-H1417 AromaticContact CH2-CE1 3.87Å; W1227-H1417 AromaticContact CH2-NE2 3.75Å; W1227-H1417 AromaticContact CZ3-CD2 3.73Å; W1227-H1417 AromaticContact CZ3-CG 3.93Å; W1227-H1417 AromaticContact CZ3-NE2 3.89Å; L1228-H1417 HydrophobicContact CD1-CB 3.96Å; T1413-H1417 WeakPolarHBondContact O-CB 3.3Å; T1413-H1417 PolarHBondContact O-N 2.93Å; A1414-H1417 PolarHBondContact O-N 2.91Å; H1417-L1419 PolarHBondContact O-N 3.03Å; H1417-A1420 PolarHBondContact O-N 3.27Å; H1417-R1421 PolarHBondContact NE2-NE 2.98Å; H1417-R1421 WeakPolarHBondContact O-CB 3.38Å; H1417-R1421 VanDerWaalsContact O-CG 3.27Å; H1417-R1421 WeakPolarHBondContact O-CG 3.2Å; H1417-R1421 PolarHBondContact O-N 3.09Å
1418L83.2Confident83Confident118 Ų11852.3 Ų52.362%0.61827%0.27SS*.Hα-helixtrans-63.8-39.6177.3-71.8171.9000112.5A1414 Q1415 L1416 R1421 A1422A1414-L1418 WeakPolarHBondContact O-CG 3.49Å; A1414-L1418 PolarHBondContact O-N 3.46Å; A1414-L1418 VanDerWaalsContact O-N 3.09Å; Q1415-L1418 PolarHBondContact O-N 3.18Å; L1416-L1418 VanDerWaalsContact C-N 3.35Å; L1416-L1418 PolarHBondContact O-N 3.19Å; L1418-R1421 PolarHBondContact O-N 3.44Å; L1418-A1422 WeakPolarHBondContact O-CB 3.22Å; L1418-A1422 PolarHBondContact O-N 2.99Å
1419L89.3Confident82.1Confident12 Ų1250.9 Ų50.96%0.06326%0.259CS..Hα-helixtrans-69-38.4177.1-69.7164.5000112.1W1403 N1406 V1407 A1410 Q1415 L1416 H1417 A1422 L1423 L1489W1403-L1419 PolarHBondContact NE1-O 3.03Å; N1406-L1419 HydrophobicContact CB-CD1 4.27Å; N1406-L1419 HydrophobicContact CB-CD2 4.1Å; N1406-L1419 WeakPolarHBondContact O-CD1 3.23Å; V1407-L1419 HydrophobicContact CB-CD1 4.39Å; V1407-L1419 HydrophobicContact CG2-CB 3.91Å; V1407-L1419 HydrophobicContact CG2-CD1 3.81Å; V1407-L1419 HydrophobicContact CG2-CG 4.29Å; A1410-L1419 HydrophobicContact CB-CD1 4.29Å; Q1415-L1419 WeakPolarHBondContact O-CG 3.33Å; Q1415-L1419 PolarHBondContact O-N 2.74Å; L1416-L1419 PolarHBondContact O-N 3.45Å; H1417-L1419 PolarHBondContact O-N 3.03Å; L1419-A1422 WeakPolarHBondContact O-CB 3.49Å; L1419-A1422 PolarHBondContact O-N 3.44Å; L1419-L1423 PolarHBondContact O-N 2.86Å; L1419-L1423 VanDerWaalsContact O-N 3.09Å; L1419-L1489 HydrophobicContact CD2-CD2 4.38Å
1420A87Confident81.3Confident0 Ų045.6 Ų45.60%024%0.239CC..Hα-helixtrans-65.6-40.7172.700000112.3L1232 I1235 I1328 L1416 H1417 A1422 L1423 E1424L1232-A1420 HydrophobicContact CD2-CB 3.96Å; I1235-A1420 HydrophobicContact CD1-CB 3.89Å; I1328-A1420 HydrophobicContact CD1-CB 4.21Å; I1328-A1420 HydrophobicContact CG1-CB 4.15Å; L1416-A1420 WeakPolarHBondContact O-CB 3.25Å; L1416-A1420 PolarHBondContact O-N 2.95Å; H1417-A1420 PolarHBondContact O-N 3.27Å; A1420-A1422 VanDerWaalsContact C-N 3.29Å; A1420-A1422 PolarHBondContact O-N 3.25Å; A1420-L1423 WeakPolarHBondContact O-CB 3.46Å; A1420-L1423 PolarHBondContact O-N 3.32Å; A1420-E1424 PolarHBondContact O-N 3.49Å
1421R83.7Confident80.2Confident90 Ų9050.6 Ų50.634%0.3427%0.269SS..Hα-helixtrans-64.9-30.8172.2-73-59.8-153.3150.99.4112.9H1417 L1418 E1424 R1425H1417-R1421 PolarHBondContact NE2-NE 2.98Å; H1417-R1421 WeakPolarHBondContact O-CB 3.38Å; H1417-R1421 VanDerWaalsContact O-CG 3.27Å; H1417-R1421 WeakPolarHBondContact O-CG 3.2Å; H1417-R1421 PolarHBondContact O-N 3.09Å; L1418-R1421 PolarHBondContact O-N 3.44Å; R1421-E1424 WeakPolarHBondContact CD-OE2 3.49Å; R1421-E1424 IonicContact CZ-OE2 3.27Å; R1421-E1424 IonicContact NE-OE2 2.74Å; R1421-E1424 IonicContact NH1-OE1 2.82Å; R1421-E1424 PolarHBondContact NH1-OE1 2.91Å; R1421-E1424 IonicContact NH1-OE2 3.22Å; R1421-E1424 PolarHBondContact NH1-OE2 3.32Å; R1421-R1425 WeakPolarHBondContact O-CB 2.94Å; R1421-R1425 WeakPolarHBondContact O-CD 3.32Å; R1421-R1425 VanDerWaalsContact O-CG 3.25Å; R1421-R1425 WeakPolarHBondContact O-CG 3.27Å; R1421-R1425 PolarHBondContact O-N 3.45Å; R1421-R1425 VanDerWaalsContact O-N 3.09Å
1422A82.2Confident78.7Confident31 Ų3152.8 Ų52.826%0.25627%0.273SS..Hα-helixtrans-68.8-42.7174.200000111.7L1344 L1418 L1419 A1420 G1426L1344-A1422 HydrophobicContact CD1-CB 4.29Å; L1418-A1422 WeakPolarHBondContact O-CB 3.22Å; L1418-A1422 PolarHBondContact O-N 2.99Å; L1419-A1422 WeakPolarHBondContact O-CB 3.49Å; L1419-A1422 PolarHBondContact O-N 3.44Å; A1420-A1422 VanDerWaalsContact C-N 3.29Å; A1420-A1422 PolarHBondContact O-N 3.25Å; A1422-G1426 PolarHBondContact O-N 3.11Å
1423L87.1Confident76.8Confident0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-59.2-51.9172.1-179.170.2000111.3L1331 V1335 V1340 W1400 W1403 L1419 A1420 R1425 G1426 A1427L1331-L1423 HydrophobicContact CD2-CD2 4.2Å; L1331-L1423 HydrophobicContact CG-CD2 4.05Å; V1335-L1423 HydrophobicContact CB-CD1 4.35Å; V1335-L1423 HydrophobicContact CG1-CD1 4.31Å; V1340-L1423 HydrophobicContact CG2-CD1 3.91Å; W1400-L1423 HydrophobicContact CH2-CD1 3.99Å; W1400-L1423 HydrophobicContact CZ3-CD1 3.92Å; W1403-L1423 HydrophobicContact CH2-CB 4.41Å; W1403-L1423 HydrophobicContact CH2-CD1 4.26Å; W1403-L1423 HydrophobicContact CH2-CD2 4.02Å; W1403-L1423 HydrophobicContact CH2-CG 4.46Å; W1403-L1423 HydrophobicContact CZ2-CB 3.81Å; W1403-L1423 HydrophobicContact CZ2-CD1 4.39Å; W1403-L1423 HydrophobicContact CZ2-CD2 4.18Å; W1403-L1423 HydrophobicContact CZ2-CG 4.35Å; L1419-L1423 PolarHBondContact O-N 2.86Å; L1419-L1423 VanDerWaalsContact O-N 3.09Å; A1420-L1423 WeakPolarHBondContact O-CB 3.46Å; A1420-L1423 PolarHBondContact O-N 3.32Å; L1423-R1425 PolarHBondContact O-N 3.06Å; L1423-G1426 PolarHBondContact O-N 2.85Å; L1423-G1426 VanDerWaalsContact O-N 3.14Å; L1423-A1427 WeakPolarHBondContact O-CB 3.47Å; L1423-A1427 PolarHBondContact O-N 2.91Å
1424E83.4Confident74.6Confident11 Ų1154.2 Ų54.25%0.05130%0.297CS..Hα-helixtrans-52.2-50.6177.6177.8-170.5-156.200112.2I1235 R1238 A1420 R1421 G1426 A1427 H1428I1235-E1424 HydrophobicContact CG2-CB 4.16Å; R1238-E1424 IonicContact CZ-OE1 3.32Å; R1238-E1424 IonicContact NE-OE1 3.41Å; R1238-E1424 PolarHBondContact NE-OE1 3.2Å; R1238-E1424 IonicContact NH2-OE1 2.87Å; R1238-E1424 PolarHBondContact NH2-OE1 3.32Å; R1238-E1424 IonicContact NH2-OE2 3.78Å; A1420-E1424 PolarHBondContact O-N 3.49Å; R1421-E1424 WeakPolarHBondContact CD-OE2 3.49Å; R1421-E1424 IonicContact CZ-OE2 3.27Å; R1421-E1424 IonicContact NE-OE2 2.74Å; R1421-E1424 IonicContact NH1-OE1 2.82Å; R1421-E1424 PolarHBondContact NH1-OE1 2.91Å; R1421-E1424 IonicContact NH1-OE2 3.22Å; R1421-E1424 PolarHBondContact NH1-OE2 3.32Å; E1424-G1426 VanDerWaalsContact C-N 3.35Å; E1424-G1426 PolarHBondContact O-N 3.31Å; E1424-A1427 PolarHBondContact O-N 2.89Å; E1424-H1428 PolarHBondContact O-N 3.49Å
1425R77.1Confident72.1Confident153 Ų15363.9 Ų63.958%0.57732%0.323SS*.Hα-helixtrans-64.9-37.9179.9-74.5170.6173.1177.6-2.4112.3R1421 L1423 R1429R1421-R1425 WeakPolarHBondContact O-CB 2.94Å; R1421-R1425 WeakPolarHBondContact O-CD 3.32Å; R1421-R1425 VanDerWaalsContact O-CG 3.25Å; R1421-R1425 WeakPolarHBondContact O-CG 3.27Å; R1421-R1425 PolarHBondContact O-N 3.45Å; R1421-R1425 VanDerWaalsContact O-N 3.09Å; L1423-R1425 PolarHBondContact O-N 3.06Å; R1425-R1429 WeakPolarHBondContact O-CB 3.48Å; R1425-R1429 WeakPolarHBondContact O-CD 3.29Å; R1425-R1429 WeakPolarHBondContact O-CG 3.48Å; R1425-R1429 PolarHBondContact O-N 2.71Å; R1425-R1429 VanDerWaalsContact O-N 3.12Å
1426G77.6Confident69.8Low3 Ų361.8 Ų61.83%0.03133%0.325CS..Hα-helixtrans-69.1-39176.700000112.3A1341 A1422 L1423 E1424 R1429 A1430A1341-G1426 PolarHBondContact N-O 3.3Å; A1422-G1426 PolarHBondContact O-N 3.11Å; L1423-G1426 PolarHBondContact O-N 2.85Å; L1423-G1426 VanDerWaalsContact O-N 3.14Å; E1424-G1426 VanDerWaalsContact C-N 3.35Å; E1424-G1426 PolarHBondContact O-N 3.31Å; G1426-R1429 WeakPolarHBondContact O-CB 3.48Å; G1426-R1429 PolarHBondContact O-N 3.46Å; G1426-A1430 PolarHBondContact O-N 3.3Å; G1426-A1430 VanDerWaalsContact O-N 3.07Å
1427A78.2Confident67Low6 Ų664.7 Ų64.75%0.0534%0.343CS..Hα-helixtrans-68.1-44.3176.400000112.6L1239 V1335 G1339 L1423 E1424 R1429 A1430 T1431L1239-A1427 HydrophobicContact CD2-CB 3.56Å; V1335-A1427 HydrophobicContact CG1-CB 3.98Å; G1339-A1427 WeakPolarHBondContact O-CA 3.36Å; L1423-A1427 WeakPolarHBondContact O-CB 3.47Å; L1423-A1427 PolarHBondContact O-N 2.91Å; E1424-A1427 PolarHBondContact O-N 2.89Å; A1427-R1429 VanDerWaalsContact C-N 3.26Å; A1427-R1429 PolarHBondContact O-N 3.12Å; A1427-A1430 WeakPolarHBondContact O-CB 3.36Å; A1427-A1430 PolarHBondContact O-N 2.79Å; A1427-T1431 PolarHBondContact O-N 2.91Å; A1427-T1431 PolarHBondContact O-OG1 3.45Å
1428H68.3Low64.4Low81 Ų8168.1 Ų68.138%0.37537%0.371SS..Hα-helixtrans-60.1-34.6171.6-92.6-60.7000113E1424 A1430 T1431 L1432E1424-H1428 PolarHBondContact O-N 3.49Å; H1428-A1430 VanDerWaalsContact C-N 3.32Å; H1428-T1431 WeakPolarHBondContact CA-OG1 3.45Å; H1428-T1431 PolarHBondContact O-OG1 3.31Å; H1428-L1432 WeakPolarHBondContact O-CB 3.21Å; H1428-L1432 VanDerWaalsContact O-CG 3.29Å; H1428-L1432 WeakPolarHBondContact O-CG 3.36Å; H1428-L1432 PolarHBondContact O-N 3.15Å
1429R67.8Low61.8Low99 Ų9966.3 Ų66.337%0.37437%0.368SS..Hα-helixtrans-67.3-33.5173-74.7168.9175.8-154.2-3.1111.9A1341 R1425 G1426 A1427 G1434A1341-R1429 HydrophobicContact CB-CB 3.83Å; R1425-R1429 WeakPolarHBondContact O-CB 3.48Å; R1425-R1429 WeakPolarHBondContact O-CD 3.29Å; R1425-R1429 WeakPolarHBondContact O-CG 3.48Å; R1425-R1429 PolarHBondContact O-N 2.71Å; R1425-R1429 VanDerWaalsContact O-N 3.12Å; G1426-R1429 WeakPolarHBondContact O-CB 3.48Å; G1426-R1429 PolarHBondContact O-N 3.46Å; A1427-R1429 VanDerWaalsContact C-N 3.26Å; A1427-R1429 PolarHBondContact O-N 3.12Å; R1429-G1434 WeakPolarHBondContact O-CA 3.36Å; R1429-G1434 PolarHBondContact O-N 2.81Å; R1429-G1434 VanDerWaalsContact O-N 3.1Å
1430A70.9Confident58.9Low28 Ų2868.3 Ų68.323%0.23139%0.386CS..Hα-helixtrans-71.5-46.8177.400000112G1339 A1341 G1426 A1427 H1428 L1432 G1433 G1434G1339-A1430 WeakPolarHBondContact O-CB 3.29Å; A1341-A1430 HydrophobicContact CB-CB 4.04Å; G1426-A1430 PolarHBondContact O-N 3.3Å; G1426-A1430 VanDerWaalsContact O-N 3.07Å; A1427-A1430 WeakPolarHBondContact O-CB 3.36Å; A1427-A1430 PolarHBondContact O-N 2.79Å; H1428-A1430 VanDerWaalsContact C-N 3.32Å; A1430-L1432 VanDerWaalsContact C-N 3.27Å; A1430-L1432 PolarHBondContact O-N 2.96Å; A1430-G1433 PolarHBondContact O-N 2.63Å; A1430-G1434 PolarHBondContact O-N 3.41Å
1431T62.5Low56.1Low113 Ų11373.8 Ų73.869%0.69341%0.414SS*.Hα-helixtrans-63.3-31.3178.853.30000112.9A1427 H1428 G1433A1427-T1431 PolarHBondContact O-N 2.91Å; A1427-T1431 PolarHBondContact O-OG1 3.45Å; H1428-T1431 WeakPolarHBondContact CA-OG1 3.45Å; H1428-T1431 PolarHBondContact O-OG1 3.31Å; T1431-G1433 PolarHBondContact O-N 3.29Å; T1431-G1433 VanDerWaalsContact O-N 3.09Å
1432L51.6Low53.7Low132 Ų13272.4 Ų72.469%0.69142%0.422SS*.THydrogen-bonded Turntrans-7518.9169.9-67172000114.1H1428 A1430H1428-L1432 WeakPolarHBondContact O-CB 3.21Å; H1428-L1432 VanDerWaalsContact O-CG 3.29Å; H1428-L1432 WeakPolarHBondContact O-CG 3.36Å; H1428-L1432 PolarHBondContact O-N 3.15Å; A1430-L1432 VanDerWaalsContact C-N 3.27Å; A1430-L1432 PolarHBondContact O-N 2.96Å
1433G45.1Very low51.3Low61 Ų6175.2 Ų75.263%0.62943%0.433SS*.THydrogen-bonded Turntrans72.743.4177.200000113.6A1430 T1431 R1435A1430-G1433 PolarHBondContact O-N 2.63Å; T1431-G1433 PolarHBondContact O-N 3.29Å; T1431-G1433 VanDerWaalsContact O-N 3.09Å; G1433-R1435 PolarHBondContact O-N 2.93Å
1434G35.4Very low48.7Very low26 Ų2682.4 Ų82.427%0.26846%0.461SS..  trans-53.313.3-160.300000122.1R1429 A1430 G1436R1429-G1434 WeakPolarHBondContact O-CA 3.36Å; R1429-G1434 PolarHBondContact O-N 2.81Å; R1429-G1434 VanDerWaalsContact O-N 3.1Å; A1430-G1434 PolarHBondContact O-N 3.41Å; G1434-G1436 PolarHBondContact O-N 2.87Å
1435R28.9Very low46.2Very low254 Ų25485.7 Ų85.796%0.95848%0.481SS*.SBendtrans-73.770.9165.6-65.6-167.7-170.3-149.25111G1433G1433-R1435 PolarHBondContact O-N 2.93Å
1436G33.7Very low44.2Very low44 Ų4482.2 Ų82.245%0.45448%0.481SS..  trans88.878.9168.600000115.1G1434 S1438 S1439G1434-G1436 PolarHBondContact O-N 2.87Å; G1436-S1438 PolarHBondContact O-N 3.13Å; G1436-S1439 PolarHBondContact O-N 3.08Å; G1436-S1439 VanDerWaalsContact O-N 3.1Å
1437V28.9Very low41.9Very low62 Ų6288.6 Ų88.638%0.37651%0.51SS..Hα-helixtrans-58.3-16177.1177.90000113.8S1439 A1440 I1441V1437-S1439 PolarHBondContact O-N 3.1Å; V1437-A1440 PolarHBondContact O-N 3.22Å; V1437-A1440 VanDerWaalsContact O-N 3.13Å; V1437-I1441 HydrophobicContact CG1-CD1 4.48Å; V1437-I1441 PolarHBondContact O-N 2.98Å
1438S29.7Very low39.6Very low107 Ų10793 Ų9375%0.74853%0.529SS*.Hα-helixtrans-55.6-35.2171.8-158.30000112.8G1436G1436-S1438 PolarHBondContact O-N 3.13Å
1439S28.8Very low37.9Very low79 Ų7993.9 Ų93.955%0.55254%0.542SS*.Hα-helixtrans-80.2-27.3178.2-57.90000113.2G1436 V1437 N1443G1436-S1439 PolarHBondContact O-N 3.08Å; G1436-S1439 VanDerWaalsContact O-N 3.1Å; V1437-S1439 PolarHBondContact O-N 3.1Å; S1439-N1443 WeakPolarHBondContact O-CB 3.39Å; S1439-N1443 PolarHBondContact O-N 3.34Å
1440A29Very low36Very low55 Ų5596 Ų9646%0.45556%0.56SS.*Hα-helixtrans-71.5-39.4-178.500000112V1437 N1443 Y1444V1437-A1440 PolarHBondContact O-N 3.22Å; V1437-A1440 VanDerWaalsContact O-N 3.13Å; A1440-N1443 PolarHBondContact O-N 3.31Å; A1440-Y1444 VanDerWaalsContact O-CB 3.3Å; A1440-Y1444 WeakPolarHBondContact O-CB 3.5Å; A1440-Y1444 PolarHBondContact O-N 2.88Å
1441I29.1Very low34.1Very low115 Ų11599.6 Ų99.659%0.5958%0.581SS**Hα-helixtrans-68.7-42.1175.6-62175000110.3V1437 N1443 Y1444 V1445V1437-I1441 HydrophobicContact CG1-CD1 4.48Å; V1437-I1441 PolarHBondContact O-N 2.98Å; I1441-N1443 PolarHBondContact O-N 2.89Å; I1441-Y1444 PolarHBondContact O-N 2.88Å; I1441-V1445 WeakPolarHBondContact O-CB 3.14Å; I1441-V1445 WeakPolarHBondContact O-CG2 3.19Å; I1441-V1445 PolarHBondContact O-N 3.2Å
1442A32.4Very low33.1Very low60 Ų6097.9 Ų97.950%0.49658%0.578SS.*Hα-helixtrans-61.4-41.7174.800000112.3S1446A1442-S1446 WeakPolarHBondContact O-CB 3.43Å; A1442-S1446 PolarHBondContact O-N 3.15Å; A1442-S1446 PolarHBondContact O-OG 2.81Å
1443N32.4Very low32.6Very low91 Ų9195.2 Ų95.249%0.48756%0.564SS.*Hα-helixtrans-73.8-35.1176.8-82.6-6.1000113.6S1439 A1440 I1441 S1446 Q1447S1439-N1443 WeakPolarHBondContact O-CB 3.39Å; S1439-N1443 PolarHBondContact O-N 3.34Å; A1440-N1443 PolarHBondContact O-N 3.31Å; I1441-N1443 PolarHBondContact O-N 2.89Å; N1443-S1446 WeakPolarHBondContact CA-OG 3.42Å; N1443-S1446 PolarHBondContact O-N 2.87Å; N1443-S1446 PolarHBondContact O-OG 3.49Å; N1443-S1446 VanDerWaalsContact O-OG 3.08Å; N1443-Q1447 WeakPolarHBondContact O-CB 3.31Å; N1443-Q1447 WeakPolarHBondContact O-CG 3.42Å; N1443-Q1447 PolarHBondContact O-N 3.01Å
1444Y31.4Very low32.8Very low151 Ų15198.8 Ų98.859%0.59256%0.562SS**Hα-helixtrans-65.7-41.8174.9-171-88.1000110.8A1440 I1441 S1446 H1448A1440-Y1444 VanDerWaalsContact O-CB 3.3Å; A1440-Y1444 WeakPolarHBondContact O-CB 3.5Å; A1440-Y1444 PolarHBondContact O-N 2.88Å; I1441-Y1444 PolarHBondContact O-N 2.88Å; Y1444-S1446 VanDerWaalsContact C-N 3.33Å; Y1444-S1446 PolarHBondContact O-N 2.97Å; Y1444-H1448 AromaticContact CD2-CD2 3.92Å; Y1444-H1448 HydrophobicContact CE1-CB 4.27Å; Y1444-H1448 AromaticContact CE2-CD2 3.56Å; Y1444-H1448 AromaticContact CZ-CD2 3.83Å; Y1444-H1448 WeakPolarHBondContact O-CA 3.49Å; Y1444-H1448 WeakPolarHBondContact O-CB 3.46Å; Y1444-H1448 PolarHBondContact O-N 2.99Å
1445V31.6Very low33.5Very low80 Ų8097.6 Ų97.649%0.48555%0.55SS..Hα-helixtrans-70.3-27.5175.9175.20000112.3I1441I1441-V1445 WeakPolarHBondContact O-CB 3.14Å; I1441-V1445 WeakPolarHBondContact O-CG2 3.19Å; I1441-V1445 PolarHBondContact O-N 3.2Å
1446S35.8Very low34.6Very low80 Ų8089.5 Ų89.556%0.55953%0.528SS*.Hα-helixtrans-80.9-33.4175.375.20000113.8A1442 N1443 Y1444A1442-S1446 WeakPolarHBondContact O-CB 3.43Å; A1442-S1446 PolarHBondContact O-N 3.15Å; A1442-S1446 PolarHBondContact O-OG 2.81Å; N1443-S1446 WeakPolarHBondContact CA-OG 3.42Å; N1443-S1446 PolarHBondContact O-N 2.87Å; N1443-S1446 PolarHBondContact O-OG 3.49Å; N1443-S1446 VanDerWaalsContact O-OG 3.08Å; Y1444-S1446 VanDerWaalsContact C-N 3.33Å; Y1444-S1446 PolarHBondContact O-N 2.97Å
1447Q29.3Very low35Very low137 Ų13791 Ų9164%0.6453%0.532SS*.Hα-helixtrans-86.5-29.5177.8-67.5179.8-1.900113N1443 P1449N1443-Q1447 WeakPolarHBondContact O-CB 3.31Å; N1443-Q1447 WeakPolarHBondContact O-CG 3.42Å; N1443-Q1447 PolarHBondContact O-N 3.01Å; Q1447-P1449 WeakPolarHBondContact O-CD 3.46Å
1448H29.4Very low36.3Very low99 Ų9991 Ų9146%0.45853%0.534SS..SBendtrans-124.374.9176.4-60.1-41.4000109.9Y1444 L1450Y1444-H1448 AromaticContact CD2-CD2 3.92Å; Y1444-H1448 HydrophobicContact CE1-CB 4.27Å; Y1444-H1448 AromaticContact CE2-CD2 3.56Å; Y1444-H1448 AromaticContact CZ-CD2 3.83Å; Y1444-H1448 WeakPolarHBondContact O-CA 3.49Å; Y1444-H1448 WeakPolarHBondContact O-CB 3.46Å; Y1444-H1448 PolarHBondContact O-N 2.99Å; H1448-L1450 PolarHBondContact O-N 2.86Å
1449P31.3Very low37.1Very low98 Ų9895.1 Ų95.164%0.63653%0.533SS*.PPolyproline II helixtrans-56.4126.817324.1-33.8000109.6Q1447Q1447-P1449 WeakPolarHBondContact O-CD 3.46Å
1450L29Very low38Very low145 Ų14592.4 Ų92.476%0.75952%0.518SS*.PPolyproline II helixtrans-53.2132.5179.3-71.1168.7000109.8H1448 A1452H1448-L1450 PolarHBondContact O-N 2.86Å; L1450-A1452 PolarHBondContact O-N 2.8Å; L1450-A1452 VanDerWaalsContact O-N 3.14Å
1451P31.8Very low38.5Very low103 Ų10395.1 Ų95.167%0.66953%0.531SS*.PPolyproline II helixtrans-59.8124.2-174.422.8-33000109.8L1453P1451-L1453 PolarHBondContact O-N 3.48Å
1452A40.6Very low39.2Very low76 Ų7690.4 Ų90.463%0.62851%0.508SS*.PPolyproline II helixtrans-46.5135.9-175.300000110.9L1450L1450-A1452 PolarHBondContact O-N 2.8Å; L1450-A1452 VanDerWaalsContact O-N 3.14Å
1453L40.5Very low39.6Very low77 Ų7793 Ų9340%0.40351%0.513SS..PPolyproline II helixtrans-51.8146.2167.8-77126.3000108.8P1451 P1462 V1464 I1551P1451-L1453 PolarHBondContact O-N 3.48Å; L1453-P1462 HydrophobicContact CB-CG 3.51Å; L1453-P1462 WeakPolarHBondContact O-CD 3.5Å; L1453-V1464 HydrophobicContact CD1-CG2 3.9Å; L1453-I1551 HydrophobicContact CD2-CD1 4.11Å
1454K49.8Very low39.7Very low135 Ų13593 Ų9359%0.58752%0.516SS*.  trans-129.7144.3179.7-75.5-178.9172.1-174.60108.3R1459 G1460K1454-R1459 WeakPolarHBondContact CB-O 3.49Å; K1454-R1459 VanDerWaalsContact CD-O 3.22Å; K1454-R1459 WeakPolarHBondContact CD-O 3.36Å; K1454-R1459 WeakPolarHBondContact CG-O 3.33Å; K1454-G1460 CarbonylContact C-O 3.12Å; K1454-G1460 WeakPolarHBondContact CA-O 3.35Å
1455C50.8Low39.5Very low2 Ų293.4 Ų93.41%0.01453%0.528CS..  trans-57.3137.2171.5164.60000109.8S1457 C1458 R1459 G1460 I1551 C1553C1455-S1457 PolarHBondContact O-N 3.22Å; C1455-S1457 PolarHBondContact SG-N 3.27Å; C1455-C1458 WeakPolarHBondContact CB-SG 3.41Å; C1455-C1458 PolarHBondContact SG-N 2.92Å; C1455-R1459 VanDerWaalsContact O-CA 3.23Å; C1455-R1459 WeakPolarHBondContact O-CA 3.42Å; C1455-R1459 PolarHBondContact O-N 3.15Å; C1455-R1459 VanDerWaalsContact O-N 3.1Å; C1455-G1460 WeakPolarHBondContact CB-O 3.45Å; C1455-G1460 PolarHBondContact N-O 2.83Å; C1455-I1551 CarbonylContact C-O 3.6Å; C1455-I1551 WeakPolarHBondContact CA-O 3.48Å; C1455-C1553 HydrophobicContact CB-CB 3.66Å; C1455-C1553 PolarHBondContact SG-N 3.26Å; C1455-C1553 PolarHBondContact SG-SG 3.32Å
1456T52.4Low39.2Very low83 Ų8394 Ų9451%0.50953%0.532SS..THydrogen-bonded Turntrans-59.2-43.8178.430.10000112.9I1551T1456-I1551 PolarHBondContact N-O 3.41Å; T1456-I1551 PolarHBondContact OG1-O 3.29Å
1457S42.2Very low38.5Very low76 Ų7697.9 Ų97.953%0.53155%0.545SS..THydrogen-bonded Turntrans-81-70.2176.8-55.40000113.1C1455 R1459 L1552 C1556C1455-S1457 PolarHBondContact O-N 3.22Å; C1455-S1457 PolarHBondContact SG-N 3.27Å; S1457-R1459 VanDerWaalsContact C-N 3.26Å; S1457-R1459 PolarHBondContact O-N 3.46Å; S1457-R1459 VanDerWaalsContact O-N 3.16Å; S1457-L1552 VanDerWaalsContact OG-CD2 3.29Å; S1457-L1552 WeakPolarHBondContact OG-CD2 3.25Å; S1457-C1556 WeakPolarHBondContact CB-SG 3.41Å
1458C55.3Low38.4Very low61 Ų6196.8 Ų96.841%0.41255%0.551SS.*THydrogen-bonded Turntrans-73.3-7.8-171.2710000115.5C1455 G1460 C1553 C1556C1455-C1458 WeakPolarHBondContact CB-SG 3.41Å; C1455-C1458 PolarHBondContact SG-N 2.92Å; C1458-G1460 PolarHBondContact O-N 2.98Å; C1458-C1553 WeakPolarHBondContact CB-SG 3.39Å; C1458-C1553 WeakPolarHBondContact SG-CB 3.42Å; C1458-C1553 CovalentContact SG-SG 2.06Å; C1458-C1553 PolarHBondContact SG-SG 3.34Å; C1458-C1556 VanDerWaalsContact CB-SG 3.55Å
1459R47.4Very low38Very low194 Ų19498.8 Ų98.873%0.73257%0.57SS**  trans49.24.1-166.7-64.5-166.2179-1532116.4K1454 C1455 S1457K1454-R1459 WeakPolarHBondContact CB-O 3.49Å; K1454-R1459 VanDerWaalsContact CD-O 3.22Å; K1454-R1459 WeakPolarHBondContact CD-O 3.36Å; K1454-R1459 WeakPolarHBondContact CG-O 3.33Å; C1455-R1459 VanDerWaalsContact O-CA 3.23Å; C1455-R1459 WeakPolarHBondContact O-CA 3.42Å; C1455-R1459 PolarHBondContact O-N 3.15Å; C1455-R1459 VanDerWaalsContact O-N 3.1Å; S1457-R1459 VanDerWaalsContact C-N 3.26Å; S1457-R1459 PolarHBondContact O-N 3.46Å; S1457-R1459 VanDerWaalsContact O-N 3.16Å
1460G46.2Very low37.6Very low23 Ų2398.6 Ų98.624%0.23758%0.577CS.*SBendtrans-70.1174.6166.300000112.3K1454 C1455 C1458K1454-G1460 CarbonylContact C-O 3.12Å; K1454-G1460 WeakPolarHBondContact CA-O 3.35Å; C1455-G1460 WeakPolarHBondContact CB-O 3.45Å; C1455-G1460 PolarHBondContact N-O 2.83Å; C1458-G1460 PolarHBondContact O-N 2.98Å
1461P39.9Very low37.3Very low111 Ų11198.1 Ų98.172%0.72159%0.585SS**  trans-64.7136.4-177.426.4-34.2000112.1
1462P43.2Very low36.8Very low17 Ų1795.4 Ų95.411%0.1158%0.576CS.*  trans-91.7157.6176.832.2-25.9000111.4L1453 V1464 I1551L1453-P1462 HydrophobicContact CB-CG 3.51Å; L1453-P1462 WeakPolarHBondContact O-CD 3.5Å; P1462-V1464 PolarHBondContact O-N 2.86Å; P1462-V1464 VanDerWaalsContact O-N 3.17Å; P1462-I1551 HydrophobicContact CB-CB 4.46Å; P1462-I1551 HydrophobicContact CB-CG2 3.29Å; P1462-I1551 HydrophobicContact CG-CG2 4.01Å
1463N42.4Very low35.9Very low114 Ų114100 Ų10061%0.6159%0.59SS**  trans-82.294.5174.7-64.6-48.1000110.2L1465N1463-L1465 PolarHBondContact O-N 3Å; N1463-L1465 VanDerWaalsContact O-N 3.15Å
1464V33.8Very low34.9Very low90 Ų90104.2 Ų104.255%0.54561%0.612SS.*  trans-71.3105.9166.7-179.70000108.5L1453 P1462 T1466L1453-V1464 HydrophobicContact CD1-CG2 3.9Å; P1462-V1464 PolarHBondContact O-N 2.86Å; P1462-V1464 VanDerWaalsContact O-N 3.17Å; V1464-T1466 PolarHBondContact O-N 2.71Å; V1464-T1466 VanDerWaalsContact O-N 3.16Å
1465L27.7Very low33.6Very low161 Ų161102.5 Ų102.584%0.84362%0.618SS**  trans-63.7110.7164.4-75.6168.4000108.3N1463 L1467N1463-L1465 PolarHBondContact O-N 3Å; N1463-L1465 VanDerWaalsContact O-N 3.15Å; L1465-L1467 PolarHBondContact O-N 3.47Å
1466T24.8Very low32.2Very low93 Ų93105.9 Ų105.957%0.57165%0.646SS**  trans-81.998.8175.71.90000108.5V1464 P1468V1464-T1466 PolarHBondContact O-N 2.71Å; V1464-T1466 VanDerWaalsContact O-N 3.16Å; T1466-P1468 WeakPolarHBondContact O-CD 3.46Å
1467L21.4Very low30.8Very low160 Ų160111.1 Ų111.184%0.83866%0.662SS**  trans-61.7121.1169.7-174.266.8000108.6L1465 T1469L1465-L1467 PolarHBondContact O-N 3.47Å; L1467-T1469 PolarHBondContact O-N 3.22Å
1468P27Very low30.1Very low115 Ų115113.1 Ų113.175%0.74768%0.676SS**  trans-73.9115-177.3-15.730.6000110.7T1466 A1470T1466-P1468 WeakPolarHBondContact O-CD 3.46Å; P1468-A1470 PolarHBondContact O-N 2.95Å
1469T21.2Very low28.6Very low140 Ų140113.1 Ų113.186%0.85967%0.673SS**  trans-63.9120.1165.725.40000109.5L1467 S1471L1467-T1469 PolarHBondContact O-N 3.22Å; T1469-S1471 PolarHBondContact O-N 3.21Å
1470A22.1Very low27.7Very low95 Ų95106 Ų10679%0.78565%0.653SS**  trans-62.5135.9173.400000110.2P1468 G1472P1468-A1470 PolarHBondContact O-N 2.95Å; A1470-G1472 VanDerWaalsContact C-N 3.25Å; A1470-G1472 PolarHBondContact O-N 2.88Å
1471S23Very low26.8Very low134 Ų134111.3 Ų111.394%0.93769%0.687SS**SBendtrans-7276.6177.755.10000111.5T1469T1469-S1471 PolarHBondContact O-N 3.21Å
1472G22.1Very low26.3Very low47 Ų47109.6 Ų109.649%0.48569%0.689SS.*  trans-122.1135.6158.600000108.1A1470 L1474A1470-G1472 VanDerWaalsContact C-N 3.25Å; A1470-G1472 PolarHBondContact O-N 2.88Å; G1472-L1474 PolarHBondContact O-N 3.39Å
1473N21.4Very low25.9Very low172 Ų172109.9 Ų109.992%0.9269%0.691SS**  trans-72.363.4170.6-72-22.4000110S1475N1473-S1475 PolarHBondContact O-N 2.86Å
1474L18.8Very low25.4Very low165 Ų165108.3 Ų108.386%0.86469%0.694SS**  trans-69.474.6157.6-69.4172.1000106.6G1472 A1476G1472-L1474 PolarHBondContact O-N 3.39Å; L1474-A1476 PolarHBondContact O-N 3.4Å
1475S22.1Very low25.1Very low100 Ų100106 Ų10670%0.69968%0.681SS**  trans-46.7126.616852.20000108.4N1473 F1477N1473-S1475 PolarHBondContact O-N 2.86Å; S1475-F1477 PolarHBondContact O-N 3.32Å
1476A21.3Very low25.1Very low73 Ų73102.6 Ų102.660%0.60367%0.669SS**SBendtrans-45.9126.2179.100000110.3L1474 S1478 V1479L1474-A1476 PolarHBondContact O-N 3.4Å; A1476-S1478 PolarHBondContact O-N 3.08Å; A1476-S1478 VanDerWaalsContact O-N 3.08Å; A1476-V1479 HydrophobicContact CB-CG2 4.3Å; A1476-V1479 PolarHBondContact O-N 3.01Å
1477F24.6Very low25.5Very low193 Ų193105.8 Ų105.885%0.84667%0.672SS**THydrogen-bonded Turntrans-35.8106.5-166.3-73.2-93.8000114.5S1475 V1479S1475-F1477 PolarHBondContact O-N 3.32Å; F1477-V1479 WeakPolarHBondContact O-CG2 3.39Å; F1477-V1479 PolarHBondContact O-N 3.49Å
1478S25.7Very low26.3Very low118 Ų118101.2 Ų101.283%0.82565%0.646SS**THydrogen-bonded Turntrans51.225.4166.646.70000115.9A1476 C1480A1476-S1478 PolarHBondContact O-N 3.08Å; A1476-S1478 VanDerWaalsContact O-N 3.08Å; S1478-C1480 PolarHBondContact O-N 2.87Å
1479V25Very low26.7Very low60 Ų60100 Ų10036%0.36463%0.633SS.*  trans-75.4122179.4-179.70000109.6A1476 F1477 S1481 A1484A1476-V1479 HydrophobicContact CB-CG2 4.3Å; A1476-V1479 PolarHBondContact O-N 3.01Å; F1477-V1479 WeakPolarHBondContact O-CG2 3.39Å; F1477-V1479 PolarHBondContact O-N 3.49Å; V1479-S1481 PolarHBondContact O-N 3.38Å; V1479-A1484 VanDerWaalsContact CG1-CA 3.42Å; V1479-A1484 HydrophobicContact CG1-CB 4.31Å
1480C28Very low27.3Very low45 Ų4596.9 Ų96.930%0.30461%0.611SS.*  trans-61.5120.5175.8177.30000110.7S1478 G1482 C1483 A1484 H1488S1478-C1480 PolarHBondContact O-N 2.87Å; C1480-G1482 PolarHBondContact O-N 2.94Å; C1480-C1483 PolarHBondContact O-N 2.69Å; C1480-C1483 VanDerWaalsContact O-N 3.11Å; C1480-A1484 PolarHBondContact O-N 3.33Å; C1480-H1488 VanDerWaalsContact SG-CD2 3.6Å; C1480-H1488 PolarHBondContact SG-NE2 3.46Å
1481S27Very low27.7Very low135 Ų13596.5 Ų96.594%0.94460%0.601SS**THydrogen-bonded Turntrans-59.2-12.4-172.8-34.80000114.9V1479V1479-S1481 PolarHBondContact O-N 3.38Å
1482G29.3Very low28Very low75 Ų7596.4 Ų96.477%0.77359%0.589SS**THydrogen-bonded Turntrans-94.6-22.6178.300000115.7C1480C1480-G1482 PolarHBondContact O-N 2.94Å
1483C35.7Very low28.4Very low22 Ų2298.6 Ų98.615%0.14959%0.59CS.*THydrogen-bonded Turntrans-142.7-3.2-167.570.30000116.9P1343 C1480 C1485P1343-C1483 HydrophobicContact CG-CB 4.11Å; C1480-C1483 PolarHBondContact O-N 2.69Å; C1480-C1483 VanDerWaalsContact O-N 3.11Å; C1483-C1485 VanDerWaalsContact C-N 3.29Å; C1483-C1485 PolarHBondContact O-N 3.14Å
1484A31Very low28.6Very low81 Ų8193.9 Ų93.967%0.66957%0.57SS**  trans59.925.1173.800000116.4V1479 C1480V1479-A1484 VanDerWaalsContact CG1-CA 3.42Å; V1479-A1484 HydrophobicContact CG1-CB 4.31Å; C1480-A1484 PolarHBondContact O-N 3.33Å
1485C27.2Very low28.9Very low42 Ų4290.1 Ų90.128%0.28456%0.557SS.*  trans-120138.1-175.3-163.60000111.4C1483 Y1487C1483-C1485 VanDerWaalsContact C-N 3.29Å; C1483-C1485 PolarHBondContact O-N 3.14Å; C1485-Y1487 PolarHBondContact O-N 3.46Å
1486P29.4Very low29Very low90 Ų9090.8 Ų90.858%0.58456%0.562SS**SBendtrans-80.5-6-173.330.1-35.2000115.5
1487Y32.1Very low29.1Very low160 Ų16093.2 Ų93.263%0.62757%0.57SS**  trans-121.194.8179.9-59.7-72.8000110.7C1485C1485-Y1487 PolarHBondContact O-N 3.46Å
1488H38.8Very low28.9Very low63 Ų6395.2 Ų95.229%0.29257%0.572SS.*  trans-84115.1179.3-150.2-81000110.3C1480 D1490 C1491 L1492C1480-H1488 VanDerWaalsContact SG-CD2 3.6Å; C1480-H1488 PolarHBondContact SG-NE2 3.46Å; H1488-D1490 VanDerWaalsContact C-N 3.28Å; H1488-D1490 IonicContact CE1-OD2 3.12Å; H1488-D1490 PolarHBondContact CE1-OD2 2.91Å; H1488-D1490 IonicContact ND1-OD2 2.68Å; H1488-D1490 PolarHBondContact ND1-OD2 3.47Å; H1488-D1490 PolarHBondContact O-N 2.94Å; H1488-C1491 HydrophobicContact CB-CB 4.07Å; H1488-C1491 PolarHBondContact O-N 3.18Å; H1488-L1492 PolarHBondContact O-N 3.37Å
1489L33.9Very low28.6Very low91 Ų91100.6 Ų100.648%0.47657%0.574SS.*Hα-helixtrans-57.4-40.8-176.6-160.674000111.8L1419 C1491 L1492 L1493L1419-L1489 HydrophobicContact CD2-CD2 4.38Å; L1489-C1491 VanDerWaalsContact C-N 3.31Å; L1489-C1491 PolarHBondContact O-N 2.94Å; L1489-L1492 PolarHBondContact O-N 3.25Å; L1489-L1493 HydrophobicContact CD2-CD1 4.37Å; L1489-L1493 HydrophobicContact CG-CD1 4Å; L1489-L1493 WeakPolarHBondContact O-CG 3.4Å; L1489-L1493 PolarHBondContact O-N 3.36Å; L1489-L1493 VanDerWaalsContact O-N 3.1Å
1490D33.8Very low28.4Very low73 Ų73104.2 Ų104.239%0.3960%0.596SS.*Hα-helixtrans-64.2-30.7176.9-55.8-67.9000113.7H1488 L1492 S1494H1488-D1490 VanDerWaalsContact C-N 3.28Å; H1488-D1490 IonicContact CE1-OD2 3.12Å; H1488-D1490 PolarHBondContact CE1-OD2 2.91Å; H1488-D1490 IonicContact ND1-OD2 2.68Å; H1488-D1490 PolarHBondContact ND1-OD2 3.47Å; H1488-D1490 PolarHBondContact O-N 2.94Å; D1490-L1492 VanDerWaalsContact C-N 3.33Å; D1490-S1494 WeakPolarHBondContact O-CB 3.33Å; D1490-S1494 PolarHBondContact O-N 3.41Å; D1490-S1494 PolarHBondContact O-OG 2.82Å
1491C32.1Very low28Very low87 Ų87107 Ų10759%0.58862%0.616SS**Hα-helixtrans-74.5-26.7177.5-68.30000112.1H1488 L1489 S1495H1488-C1491 HydrophobicContact CB-CB 4.07Å; H1488-C1491 PolarHBondContact O-N 3.18Å; L1489-C1491 VanDerWaalsContact C-N 3.31Å; L1489-C1491 PolarHBondContact O-N 2.94Å; C1491-S1495 PolarHBondContact O-OG 3.45Å
1492L28.8Very low27.8Very low132 Ų132106.8 Ų106.869%0.69161%0.609SS**Hα-helixtrans-82-35.7179.1-150.9146000111.1H1488 L1489 D1490 S1495H1488-L1492 PolarHBondContact O-N 3.37Å; L1489-L1492 PolarHBondContact O-N 3.25Å; D1490-L1492 VanDerWaalsContact C-N 3.33Å; L1492-S1495 PolarHBondContact O-OG 3.37Å
1493L29.4Very low27.4Very low94 Ų94114.8 Ų114.849%0.49262%0.616SS.*Hα-helixtrans-80.4-21.8-178.9-69.4170.7000115.1L1489L1489-L1493 HydrophobicContact CD2-CD1 4.37Å; L1489-L1493 HydrophobicContact CG-CD1 4Å; L1489-L1493 WeakPolarHBondContact O-CG 3.4Å; L1489-L1493 PolarHBondContact O-N 3.36Å; L1489-L1493 VanDerWaalsContact O-N 3.1Å
1494S27.6Very low26.6Very low73 Ų73125.7 Ų125.751%0.5165%0.654SS.*THydrogen-bonded Turntrans-99.87.4-174.659.50000115.6D1490 S1496D1490-S1494 WeakPolarHBondContact O-CB 3.33Å; D1490-S1494 PolarHBondContact O-N 3.41Å; D1490-S1494 PolarHBondContact O-OG 2.82Å; S1494-S1496 VanDerWaalsContact C-N 3.29Å; S1494-S1496 PolarHBondContact O-N 3.08Å
1495S24.8Very low26.1Very low85 Ų85127.1 Ų127.159%0.59466%0.659SS**G310 helixtrans-67.9-21.3-178.5-35.40000114.8C1491 L1492 T1497C1491-S1495 PolarHBondContact O-OG 3.45Å; L1492-S1495 PolarHBondContact O-OG 3.37Å; S1495-T1497 PolarHBondContact O-N 2.85Å
1496S22.8Very low25.7Very low115 Ų115137 Ų13780%0.80469%0.691SS**G310 helixtrans-79.8-14.9-167-61.50000115.5S1494S1494-S1496 VanDerWaalsContact C-N 3.29Å; S1494-S1496 PolarHBondContact O-N 3.08Å
1497T23.6Very low25.3Very low124 Ų124138.8 Ų138.876%0.76170%0.7SS**G310 helixtrans-104.314.3-173.130.70000115.3S1495S1495-T1497 PolarHBondContact O-N 2.85Å
1498R20.7Very low24.7Very low234 Ų234139.9 Ų139.988%0.88371%0.708SS**  trans-121.659.5173-91.1-174-95.9-125.5-2.5114.5
1499R20Very low23.8Very low232 Ų232146.2 Ų146.288%0.87574%0.738SS**  trans-119.1126.3142.3-62.7-179-179.9-173.51.5104.5
1500T19.9Very low23.1Very low135 Ų135151 Ų15183%0.82876%0.755SS**  -167.3170.868.443.80000111.7
1501S20.1Very low22.5Very low104 Ų104151.3 Ų151.373%0.72778%0.776SS**  trans64.8118.3161.6-144.50000117.7
1502T23.3Very low21.9Very low130 Ų130154 Ų15480%0.79878%0.783SS**  -158.4123.563.630.30000111.3
1503R19.9Very low21.5Very low243 Ų243153 Ų15392%0.91779%0.787SS**  trans-95.2105.8177.9-176.5-172.1-170.6-159.36.5108.9
1504R19.6Very low21Very low251 Ų251153.2 Ų153.295%0.94780%0.796SS**  trans-98.5110.4164.9-92.5-172.9174179-0.6110.4
1505S20.2Very low20.7Very low111 Ų111154.6 Ų154.678%0.77681%0.806SS**  trans-76.3141.1161.140.10000109.9
1506R19.7Very low20.5Very low250 Ų250158.2 Ų158.294%0.94382%0.819SS**  trans-135.6151.1153-161169.6179.4-178.5-0.9109.4
1507T20.2Very low20.5Very low128 Ų128158.4 Ų158.479%0.78582%0.82SS**  trans-89.8155.9-154.221.80000115.1
1508K18.8Very low20.6Very low182 Ų182157.9 Ų157.979%0.79182%0.819SS**  trans-16.4134.6161.7-60.1170.9176.11770116.3
1509Q20.5Very low20.6Very low197 Ų197154.4 Ų154.492%0.92182%0.818SS**  trans-131.5152.9135.1-87.9-169.6-28.600110
1510F18.9Very low20.8Very low190 Ų190149.5 Ų149.583%0.83381%0.809SS**  trans-84.9147.7-172.4-80.6-109.7000111.8
1511G21.5Very low20.8Very low80 Ų80150.3 Ų150.383%0.82581%0.806SS**  trans-156.2130.4169.100000108.5
1512I19.7Very low20.9Very low145 Ų145151.7 Ų151.774%0.74481%0.806SS**  trans-113.8150.6-160.8-75160.9000110.5
1513S19.5Very low20.8Very low110 Ų110150.2 Ų150.277%0.76980%0.801SS**  trans66.4156.4167.6-72.10000116.6
1514S19.3Very low20.8Very low99 Ų99143.4 Ų143.469%0.69279%0.79SS**  cis-166.7176.9-15.745.70000108.5
1515S22.4Very low20.9Very low102 Ų102142.3 Ų142.371%0.71379%0.788SS**  trans55.4105.5166.748.40000117.6
1516N19.5Very low21Very low161 Ų161143.8 Ų143.886%0.86179%0.792SS**  58.787.972.9-71.6-4.1000115.8
1517S24.2Very low21Very low118 Ų118134.8 Ų134.883%0.82578%0.778SS**  trans-161.989.3143.861.90000112.1
1518P23.7Very low21.1Very low113 Ų113136.6 Ų136.673%0.73478%0.775SS**  trans-103.3115.7168.133.5-22.8000110.1
1519N22.2Very low21.1Very low162 Ų162135.7 Ų135.787%0.86678%0.778SS**  trans-157.8148.6168.2-100.5-29.6000113.6
1520N22.8Very low21.1Very low129 Ų129130.9 Ų130.969%0.6977%0.766SS**  trans51.895.1167.4-75.88.6000119.8
1521I21.6Very low21.3Very low151 Ų151128.4 Ų128.477%0.77476%0.761SS**  -29.9124.5114.4-62158.1000111
1522D22.3Very low21.3Very low133 Ų133134.5 Ų134.571%0.71177%0.765SS**  trans-128.788.6158.3-123.4-29.8000108.9S1524D1522-S1524 PolarHBondContact O-N 3.17Å
1523S20.6Very low21.5Very low99 Ų99132.9 Ų132.969%0.69277%0.767SS**  trans-81.287.4167.4-73.60000108.9Y1525S1523-Y1525 PolarHBondContact O-N 3.43Å
1524S20.6Very low21.6Very low100 Ų100132.4 Ų132.470%0.69976%0.764SS**  trans-84.7100.2166.6-68.90000109.2D1522D1522-S1524 PolarHBondContact O-N 3.17Å
1525Y21.2Very low21.9Very low229 Ų229132 Ų13290%0.89875%0.754SS**  50.580.392.1-87.5-86.2000115.6S1523S1523-Y1525 PolarHBondContact O-N 3.43Å
1526T22.4Very low22Very low141 Ų141130.4 Ų130.487%0.86574%0.742SS**  trans-125.1128136.454.80000106.8
1527G20Very low22.5Very low62 Ų62125.2 Ų125.264%0.63972%0.719SS**  cis132.665.214.200000108.9
1528F20.8Very low22.7Very low165 Ų165123.8 Ų123.872%0.72470%0.704SS**  trans-59.8135168.3-92.5-107.2000109.2
1529L20Very low23.1Very low164 Ų164122 Ų12286%0.85969%0.692SS**  trans-111.990163-79.3174.9000108.1
1530S20.8Very low23.4Very low96 Ų96117.2 Ų117.267%0.67167%0.671SS**  trans-94.4103.3166.3-54.70000107.7
1531N22.2Very low23.8Very low137 Ų137113.3 Ų113.373%0.73366%0.656SS**  trans-104.6134.2165.8-81.6-7.8000108.9
1532F22.6Very low24.1Very low208 Ų208109.2 Ų109.291%0.91263%0.631SS**  trans-29.4119.2-176.8-57.3-93.3000118.2
1533S22.3Very low24.5Very low112 Ų112106.9 Ų106.978%0.78362%0.615SS**  trans-145.4160.8137.563.90000108.7
1534S23.2Very low24.9Very low99 Ų99108.6 Ų108.669%0.69261%0.612SS**  trans-65.1137.3-168.543.90000113S1536S1534-S1536 VanDerWaalsContact C-N 3.31Å; S1534-S1536 PolarHBondContact O-N 3.43Å
1535L24.2Very low25.3Very low92 Ų92107 Ų10748%0.48260%0.598SS.*  trans-93.527-163.4-113.8167.7000113.2R734R734-L1535 HydrophobicContact CG-CB 4.32Å
1536S26Very low25.6Very low67 Ų67100.9 Ų100.947%0.46958%0.58SS.*  trans-85.9-10.9-166.4550000115.8Y730 S1534Y730-S1536 WeakPolarHBondContact OH-CA 3.33Å; Y730-S1536 VanDerWaalsContact OH-CB 3.3Å; Y730-S1536 WeakPolarHBondContact OH-CB 3.4Å; Y730-S1536 PolarHBondContact OH-O 3.09Å; S1534-S1536 VanDerWaalsContact C-N 3.31Å; S1534-S1536 PolarHBondContact O-N 3.43Å
1537S28.5Very low25.8Very low53 Ų5397.6 Ų97.637%0.37158%0.575SS.*  trans-99.2132.1-179.695.60000114T1539 S1540S1537-T1539 PolarHBondContact O-N 3.36Å; S1537-T1539 VanDerWaalsContact O-N 3.1Å; S1537-T1539 WeakPolarHBondContact OG-CB 3.45Å; S1537-S1540 PolarHBondContact O-N 3.47Å
1538V29.9Very low26.1Very low87 Ų8796.3 Ų96.353%0.52756%0.561SS.*THydrogen-bonded Turntrans-60-18.6171.6174.60000111.9A1541 R1542V1538-A1541 CarbonylContact O-C 3.54Å; V1538-A1541 PolarHBondContact O-N 2.94Å; V1538-R1542 WeakPolarHBondContact O-CG 3.1Å; V1538-R1542 PolarHBondContact O-N 3.33Å
1539T30.9Very low26.7Very low76 Ų7693 Ų9347%0.46656%0.559SS.*THydrogen-bonded Turntrans-63.7-44.2175.7-52.90000111.5S1537 A1541 R1542 F1543S1537-T1539 PolarHBondContact O-N 3.36Å; S1537-T1539 VanDerWaalsContact O-N 3.1Å; S1537-T1539 WeakPolarHBondContact OG-CB 3.45Å; T1539-A1541 PolarHBondContact O-N 2.95Å; T1539-R1542 WeakPolarHBondContact O-CB 3.3Å; T1539-R1542 PolarHBondContact O-N 3.35Å; T1539-F1543 HydrophobicContact CG2-CD2 3.99Å; T1539-F1543 HydrophobicContact CG2-CE2 3.63Å; T1539-F1543 VanDerWaalsContact O-CD2 3.27Å; T1539-F1543 WeakPolarHBondContact O-CD2 3.5Å; T1539-F1543 PolarHBondContact O-N 3.07Å
1540S29.3Very low27.5Very low61 Ų6189.6 Ų89.643%0.42754%0.541SS..Hα-helixtrans-61.8-43174.7-57.70000111.7S1537 R1542 F1543 E1544S1537-S1540 PolarHBondContact O-N 3.47Å; S1540-R1542 PolarHBondContact O-N 3.11Å; S1540-F1543 PolarHBondContact O-N 3.26Å; S1540-F1543 VanDerWaalsContact O-N 3.14Å; S1540-E1544 PolarHBondContact O-N 2.94Å
1541A31.4Very low28.7Very low47 Ų4788.2 Ų88.239%0.38853%0.525SS..Hα-helixtrans-70.8-5.9174.200000114.6K1156 V1538 T1539 V1545K1156-A1541 PolarHBondContact NZ-O 3.38Å; V1538-A1541 CarbonylContact O-C 3.54Å; V1538-A1541 PolarHBondContact O-N 2.94Å; T1539-A1541 PolarHBondContact O-N 2.95Å; A1541-V1545 WeakPolarHBondContact O-CG2 3.33Å
1542R27.8Very low30Very low65 Ų6582.7 Ų82.725%0.24550%0.496CS..Hα-helixtrans-94.3-32.2167.7-77.9179.7179.4141.110.2112.1V1538 T1539 S1540 L1546V1538-R1542 WeakPolarHBondContact O-CG 3.1Å; V1538-R1542 PolarHBondContact O-N 3.33Å; T1539-R1542 WeakPolarHBondContact O-CB 3.3Å; T1539-R1542 PolarHBondContact O-N 3.35Å; S1540-R1542 PolarHBondContact O-N 3.11Å; R1542-L1546 PolarHBondContact O-N 3.44Å
1543F29.6Very low32Very low85 Ų8573.3 Ų73.337%0.37346%0.456SS..Hα-helixtrans-70.3-36.2177.7-82.1-62.5000113.7T1539 S1540 G1548 L1550T1539-F1543 HydrophobicContact CG2-CD2 3.99Å; T1539-F1543 HydrophobicContact CG2-CE2 3.63Å; T1539-F1543 VanDerWaalsContact O-CD2 3.27Å; T1539-F1543 WeakPolarHBondContact O-CD2 3.5Å; T1539-F1543 PolarHBondContact O-N 3.07Å; S1540-F1543 PolarHBondContact O-N 3.26Å; S1540-F1543 VanDerWaalsContact O-N 3.14Å; F1543-G1548 WeakPolarHBondContact CD1-O 3.29Å; F1543-G1548 WeakPolarHBondContact CE1-O 3.43Å; F1543-L1550 HydrophobicContact CE1-CD1 4.36Å; F1543-L1550 HydrophobicContact CE1-CD2 4.15Å; F1543-L1550 HydrophobicContact CE1-CG 3.61Å; F1543-L1550 HydrophobicContact CE2-CD1 4.14Å; F1543-L1550 HydrophobicContact CE2-CD2 4.49Å; F1543-L1550 HydrophobicContact CE2-CG 4.16Å; F1543-L1550 HydrophobicContact CZ-CD1 3.89Å; F1543-L1550 HydrophobicContact CZ-CD2 3.63Å; F1543-L1550 HydrophobicContact CZ-CG 3.4Å; F1543-L1550 VanDerWaalsContact CZ-CG 3.4Å
1544E29.5Very low33.7Very low134 Ų13469.5 Ų69.563%0.62643%0.431SS*.Hα-helixtrans-71.3-38176.4-158.7169.2-137.700112.5S1540S1540-E1544 PolarHBondContact O-N 2.94Å
1545V29.7Very low35.4Very low67 Ų6770.1 Ų70.141%0.40642%0.421SS..Hα-helixtrans-78.6-28.1-174.9175.40000113.8A1541A1541-V1545 WeakPolarHBondContact O-CG2 3.33Å
1546L26.4Very low37Very low100 Ų10066.5 Ų66.552%0.52440%0.404SS..Hα-helixtrans-94.1-9.7-176.1-73.8172.7000114.5R1542 G1548R1542-L1546 PolarHBondContact O-N 3.44Å; L1546-G1548 PolarHBondContact O-N 3.44Å
1547G26.4Very low38.3Very low73 Ų7367.4 Ų67.475%0.75340%0.403SS*.  trans55.413-168.500000113.5S1549G1547-S1549 PolarHBondContact O-N 2.9Å
1548G27.5Very low38.9Very low34 Ų3467.6 Ų67.635%0.35140%0.395SS..  trans-92.587.4-163.800000109.9F1543 L1546 L1550F1543-G1548 WeakPolarHBondContact CD1-O 3.29Å; F1543-G1548 WeakPolarHBondContact CE1-O 3.43Å; L1546-G1548 PolarHBondContact O-N 3.44Å; G1548-L1550 PolarHBondContact O-N 2.96Å
1549S32.3Very low39.3Very low97 Ų9765.9 Ų65.968%0.67839%0.387SS*.  trans-48.5128.7172.157.20000110.9G1547 I1551G1547-S1549 PolarHBondContact O-N 2.9Å; S1549-I1551 WeakPolarHBondContact O-CG1 3.48Å; S1549-I1551 PolarHBondContact O-N 2.82Å
1550L38.1Very low39.6Very low92 Ų9264.7 Ų64.748%0.48239%0.385SS..  trans-51.5112.8167.6-90.4165.6000109.3F1543 G1548 L1552F1543-L1550 HydrophobicContact CE1-CD1 4.36Å; F1543-L1550 HydrophobicContact CE1-CD2 4.15Å; F1543-L1550 HydrophobicContact CE1-CG 3.61Å; F1543-L1550 HydrophobicContact CE2-CD1 4.14Å; F1543-L1550 HydrophobicContact CE2-CD2 4.49Å; F1543-L1550 HydrophobicContact CE2-CG 4.16Å; F1543-L1550 HydrophobicContact CZ-CD1 3.89Å; F1543-L1550 HydrophobicContact CZ-CD2 3.63Å; F1543-L1550 HydrophobicContact CZ-CG 3.4Å; F1543-L1550 VanDerWaalsContact CZ-CG 3.4Å; G1548-L1550 PolarHBondContact O-N 2.96Å; L1550-L1552 VanDerWaalsContact C-N 3.27Å; L1550-L1552 HydrophobicContact CB-CD1 4.41Å; L1550-L1552 HydrophobicContact CB-CG 4.13Å; L1550-L1552 PolarHBondContact O-N 3.32Å
1551I45.6Very low39.8Very low66 Ų6668 Ų6834%0.33839%0.394SS..  trans-82.779.5-178.5-42-176.4000108.4L1453 C1455 T1456 P1462 S1549L1453-I1551 HydrophobicContact CD2-CD1 4.11Å; C1455-I1551 CarbonylContact C-O 3.6Å; C1455-I1551 WeakPolarHBondContact CA-O 3.48Å; T1456-I1551 PolarHBondContact N-O 3.41Å; T1456-I1551 PolarHBondContact OG1-O 3.29Å; P1462-I1551 HydrophobicContact CB-CB 4.46Å; P1462-I1551 HydrophobicContact CB-CG2 3.29Å; P1462-I1551 HydrophobicContact CG-CG2 4.01Å; S1549-I1551 WeakPolarHBondContact O-CG1 3.48Å; S1549-I1551 PolarHBondContact O-N 2.82Å
1552L48.8Very low39.8Very low22 Ų2270.8 Ų70.812%0.11541%0.406CS..  trans-87.4142.1179.1-61.9176.4000111.8S1457 L1550 C1556 L1557 A1560S1457-L1552 VanDerWaalsContact OG-CD2 3.29Å; S1457-L1552 WeakPolarHBondContact OG-CD2 3.25Å; L1550-L1552 VanDerWaalsContact C-N 3.27Å; L1550-L1552 HydrophobicContact CB-CD1 4.41Å; L1550-L1552 HydrophobicContact CB-CG 4.13Å; L1550-L1552 PolarHBondContact O-N 3.32Å; L1552-C1556 HydrophobicContact CB-CB 4.26Å; L1552-C1556 HydrophobicContact CD2-CB 4Å; L1552-L1557 HydrophobicContact CB-CB 4.05Å; L1552-L1557 HydrophobicContact CB-CD1 4.25Å; L1552-L1557 HydrophobicContact CD1-CD1 4.06Å; L1552-A1560 HydrophobicContact CD1-CB 4.44Å
1553C64.1Low39.8Very low11 Ų1174.9 Ų74.97%0.07443%0.432CS..  trans-66.3149.5162.158.50000107.6C1455 C1458 F1555 C1556 L1557C1455-C1553 HydrophobicContact CB-CB 3.66Å; C1455-C1553 PolarHBondContact SG-N 3.26Å; C1455-C1553 PolarHBondContact SG-SG 3.32Å; C1458-C1553 WeakPolarHBondContact CB-SG 3.39Å; C1458-C1553 WeakPolarHBondContact SG-CB 3.42Å; C1458-C1553 CovalentContact SG-SG 2.06Å; C1458-C1553 PolarHBondContact SG-SG 3.34Å; C1553-F1555 CarbonylContact O-C 3.59Å; C1553-F1555 PolarHBondContact O-N 2.78Å; C1553-C1556 PolarHBondContact O-N 3.26Å; C1553-C1556 PolarHBondContact SG-SG 2.99Å; C1553-L1557 PolarHBondContact O-N 3.43Å
1554A57.8Low39.7Very low32 Ų3278.4 Ų78.426%0.26445%0.454SS..Hα-helixtrans-60.2-16.2-17600000113.9R1558A1554-R1558 WeakPolarHBondContact O-CG 3.42Å; A1554-R1558 PolarHBondContact O-N 3.31Å; A1554-R1558 PolarHBondContact O-NE 3.29Å; A1554-R1558 PolarHBondContact O-NH1 3.09Å
1555F60.6Low39.4Very low111 Ų11176.9 Ų76.949%0.48746%0.458SS..Hα-helixtrans-68.1-61.9166.5-175.3-90000111M319 C1553 L1557 R1558 S1559M319-F1555 HydrophobicContact CE-CD2 4.36Å; M319-F1555 HydrophobicContact CE-CE2 3.78Å; M319-F1555 HydrophobicContact CE-CZ 4.46Å; M319-F1555 HydrophobicContact SD-CD2 3.54Å; M319-F1555 VanDerWaalsContact SD-CD2 3.54Å; M319-F1555 HydrophobicContact SD-CE2 3.51Å; M319-F1555 VanDerWaalsContact SD-CE2 3.51Å; C1553-F1555 CarbonylContact O-C 3.59Å; C1553-F1555 PolarHBondContact O-N 2.78Å; F1555-L1557 VanDerWaalsContact C-N 3.27Å; F1555-L1557 PolarHBondContact O-N 3.38Å; F1555-R1558 CarbonylContact O-C 3.43Å; F1555-R1558 WeakPolarHBondContact O-CA 3.37Å; F1555-R1558 WeakPolarHBondContact O-CB 3.48Å; F1555-R1558 PolarHBondContact O-N 2.89Å; F1555-S1559 PolarHBondContact O-N 3.48Å; F1555-S1559 PolarHBondContact O-OG 3.27Å
1556C57.8Low39.1Very low17 Ų1777.7 Ų77.712%0.11548%0.48CS..Hα-helixtrans-64.6-27.8179.8-620000114.1S1457 C1458 L1552 C1553 R1558 S1559 A1560S1457-C1556 WeakPolarHBondContact CB-SG 3.41Å; C1458-C1556 VanDerWaalsContact CB-SG 3.55Å; L1552-C1556 HydrophobicContact CB-CB 4.26Å; L1552-C1556 HydrophobicContact CD2-CB 4Å; C1553-C1556 PolarHBondContact O-N 3.26Å; C1553-C1556 PolarHBondContact SG-SG 2.99Å; C1556-R1558 VanDerWaalsContact C-N 3.35Å; C1556-S1559 PolarHBondContact O-N 2.86Å; C1556-A1560 WeakPolarHBondContact O-CB 3.49Å; C1556-A1560 PolarHBondContact O-N 3.49Å
1557L51.6Low38.9Very low86 Ų8677.4 Ų77.445%0.4549%0.492SS..Hα-helixtrans-63.9-42.1170.2-166.474.8000110.8L1552 C1553 F1555 A1560 E1561L1552-L1557 HydrophobicContact CB-CB 4.05Å; L1552-L1557 HydrophobicContact CB-CD1 4.25Å; L1552-L1557 HydrophobicContact CD1-CD1 4.06Å; C1553-L1557 PolarHBondContact O-N 3.43Å; F1555-L1557 VanDerWaalsContact C-N 3.27Å; F1555-L1557 PolarHBondContact O-N 3.38Å; L1557-A1560 PolarHBondContact O-N 3.05Å; L1557-E1561 PolarHBondContact O-N 2.88Å
1558R42Very low38.7Very low56 Ų5681.8 Ų81.821%0.21150%0.498CS..Hα-helixtrans-68.4-39.2173-81-172.1-71.2-85.68.4112.6A1554 F1555 C1556 A1560 E1561 V1562A1554-R1558 WeakPolarHBondContact O-CG 3.42Å; A1554-R1558 PolarHBondContact O-N 3.31Å; A1554-R1558 PolarHBondContact O-NE 3.29Å; A1554-R1558 PolarHBondContact O-NH1 3.09Å; F1555-R1558 CarbonylContact O-C 3.43Å; F1555-R1558 WeakPolarHBondContact O-CA 3.37Å; F1555-R1558 WeakPolarHBondContact O-CB 3.48Å; F1555-R1558 PolarHBondContact O-N 2.89Å; C1556-R1558 VanDerWaalsContact C-N 3.35Å; R1558-A1560 PolarHBondContact O-N 3.14Å; R1558-E1561 PolarHBondContact O-N 3.24Å; R1558-V1562 WeakPolarHBondContact O-CB 3.24Å; R1558-V1562 VanDerWaalsContact O-CG2 3.26Å; R1558-V1562 WeakPolarHBondContact O-CG2 3.08Å; R1558-V1562 PolarHBondContact O-N 3.36Å
1559S38.8Very low38.6Very low51 Ų5187.5 Ų87.536%0.35752%0.521SS..Hα-helixtrans-59.7-35.5173.7-52.30000111.8F1555 C1556F1555-S1559 PolarHBondContact O-N 3.48Å; F1555-S1559 PolarHBondContact O-OG 3.27Å; C1556-S1559 PolarHBondContact O-N 2.86Å
1560A37.2Very low38.2Very low51 Ų5188.5 Ų88.542%0.42152%0.524SS..Hα-helixtrans-74.7-35.6173.800000113.3L1552 C1556 L1557 R1558L1552-A1560 HydrophobicContact CD1-CB 4.44Å; C1556-A1560 WeakPolarHBondContact O-CB 3.49Å; C1556-A1560 PolarHBondContact O-N 3.49Å; L1557-A1560 PolarHBondContact O-N 3.05Å; R1558-A1560 PolarHBondContact O-N 3.14Å
1561E32.5Very low37.3Very low130 Ų13091.1 Ų91.161%0.60755%0.545SS*.Hα-helixtrans-69.7-34.5174.6-77.2178.314000112.9L1557 R1558 L1563 L1564L1557-E1561 PolarHBondContact O-N 2.88Å; R1558-E1561 PolarHBondContact O-N 3.24Å; E1561-L1563 VanDerWaalsContact C-N 3.3Å; E1561-L1563 PolarHBondContact O-N 2.92Å; E1561-L1564 PolarHBondContact O-N 3.32Å
1562V31.7Very low36.2Very low106 Ų10691.6 Ų91.664%0.64257%0.566SS**Hα-helixtrans-67.3-28-178.6167.60000112.7R1558 L1564R1558-V1562 WeakPolarHBondContact O-CB 3.24Å; R1558-V1562 VanDerWaalsContact O-CG2 3.26Å; R1558-V1562 WeakPolarHBondContact O-CG2 3.08Å; R1558-V1562 PolarHBondContact O-N 3.36Å; V1562-L1564 PolarHBondContact O-N 2.86Å
1563L28.1Very low34.9Very low151 Ų15198.2 Ų98.279%0.79160%0.601SS**THydrogen-bonded Turntrans-75.4-1.6177.9-74.1170.1000114.5E1561E1561-L1563 VanDerWaalsContact C-N 3.3Å; E1561-L1563 PolarHBondContact O-N 2.92Å
1564L26.2Very low32.7Very low160 Ų160105.1 Ų105.184%0.83864%0.636SS**THydrogen-bonded Turntrans-117.311.8178.6-96.183.4000114.9E1561 V1562E1561-L1564 PolarHBondContact O-N 3.32Å; V1562-L1564 PolarHBondContact O-N 2.86Å
1565S23.7Very low31Very low101 Ų101112.2 Ų112.271%0.70666%0.664SS**  trans-140.390.6170.269.20000112.5
1566G24.5Very low29.1Very low84 Ų84112.5 Ų112.587%0.86668%0.675SS**  trans-163.681.2177.100000112.7
1567A21.7Very low27.3Very low94 Ų94119.6 Ų119.678%0.77771%0.711SS**  trans-156.978.6167.800000110.2
1568D23Very low25.8Very low166 Ų166122.9 Ų122.989%0.88873%0.729SS**SBendtrans-162.697.1162.6-95.8-35.6000110
1569N23.6Very low24.8Very low154 Ų154128.7 Ų128.782%0.82476%0.759SS**  trans26134.9166.6-73.6-36.3000124
1570P24.3Very low24Very low117 Ų117130.9 Ų130.976%0.7678%0.78SS**  trans-93.7151.9165.137.6-32.7000113.7
1571T20.4Very low23.1Very low148 Ų148137.7 Ų137.791%0.90880%0.801SS**  trans-166.7139.7158.8-1.10000112
1572G22.1Very low22.5Very low76 Ų76139.5 Ų139.578%0.78481%0.809SS**  trans84.9141.6176.400000114.5
1573L20.9Very low22Very low161 Ų161143.1 Ų143.184%0.84382%0.824SS**  cis-146.6145.2-2.2-165.490.8000109.3
1574L18.6Very low21.6Very low156 Ų156139.8 Ų139.882%0.81781%0.813SS**  trans-69.1134.4167.3-72.5158.8000110.5
1575Q21.7Very low21.3Very low181 Ų181139.3 Ų139.385%0.84681%0.811SS**  trans-153.2111.7139.4-120.4166.44.600111.6
1576T19.8Very low21.1Very low117 Ų117141 Ų14172%0.71882%0.818SS**  trans-70.4131.8168.747.20000110
1577N21.5Very low20.9Very low165 Ų165145.1 Ų145.188%0.88282%0.819SS**  trans-134.7102.1153.1-89.1-19.7000108
1578N19.8Very low20.9Very low156 Ų156145.8 Ų145.883%0.83481%0.813SS**  trans-72.3127.2159.6-69.2-31.3000107.2
1579E21.3Very low20.8Very low177 Ų177148.4 Ų148.483%0.82781%0.812SS**  trans-156.292.7153.9-115.7162.3-136.800108.7
1580A20.7Very low20.8Very low98 Ų98146.4 Ų146.481%0.8181%0.806SS**  trans-74.3121.8166.400000107.8E1582A1580-E1582 PolarHBondContact O-N 3.33Å
1581F20Very low20.6Very low194 Ų194145.5 Ų145.585%0.85180%0.802SS**  trans-77.5106.4174.5-115.8-93.2000109.8
1582E19.4Very low20.7Very low167 Ų167146.2 Ų146.278%0.7880%0.795SS**  trans-68.3128.7167.4-67.8-173.8138.300110.3A1580A1580-E1582 PolarHBondContact O-N 3.33Å
1583L20.2Very low20.7Very low183 Ų183149.2 Ų149.296%0.95879%0.793SS**  trans-100.592.8158.9-93.2166.8000108
1584S19.5Very low20.7Very low81 Ų81151.8 Ų151.857%0.56679%0.793SS**  trans-101.1130.1178.354.90000112.3
1585N20.4Very low21Very low149 Ų149152.5 Ų152.580%0.79780%0.797SS**  trans55.9117.2148.1-57.9-20.2000120.8
1586T20.9Very low21.1Very low137 Ų137147.3 Ų147.384%0.8479%0.792SS**  -174.4121.9124.634.40000112.7
1587L19.5Very low21.4Very low170 Ų170148.7 Ų148.789%0.8980%0.8SS**  trans149.6149.9153.7-86.4157.6000110.5
1588V21.4Very low21.5Very low109 Ų109147.7 Ų147.766%0.66180%0.795SS**  -176.7143.3-65.6143.50000109
1589Y20.9Very low21.8Very low221 Ų221149.9 Ų149.987%0.86780%0.8SS**  trans64.8150.7176.2-78.8-62.6000117
1590T22.9Very low21.9Very low111 Ų111147.4 Ų147.468%0.68179%0.793SS**  cis-137.8138.73.240.80000108.9
1591S20.9Very low22Very low98 Ų98148.6 Ų148.669%0.68578%0.784SS**  51.9135.389.393.70000114.7
1592E22.1Very low22.1Very low164 Ų164144.7 Ų144.777%0.76678%0.781SS**  cis-148.6166.815.6-71.3-172.7145.500113.5
1593D22.4Very low22.2Very low138 Ų138142.5 Ų142.574%0.73877%0.773SS**  trans45.1152.5148.3-60.7-4.6000124
1594Y21Very low22.3Very low215 Ų215141.1 Ų141.184%0.84376%0.762SS**  cis159.9167.3-27.7-123-89.4000106.2
1595L24.3Very low22.4Very low172 Ų172146.9 Ų146.990%0.90178%0.777SS**  trans78.6109.7-171.2-51173000113.9
1596G23.3Very low22.7Very low71 Ų71148.8 Ų148.873%0.73278%0.778SS**  cis123.598.9-7.100000113.7
1597T27.1Very low22.7Very low146 Ų146146.6 Ų146.690%0.89677%0.774SS**  trans-143.2120.4156.841.30000109.5
1598N23.7Very low22.9Very low144 Ų144146.3 Ų146.377%0.7777%0.773SS**  trans-76.1139.7168.4-64.6-59.3000109.4
1599E26.7Very low23.1Very low203 Ų203153.2 Ų153.295%0.94979%0.788SS**  -131144.7128.8-74.8-157161.200108.9
1600N23.2Very low23.2Very low124 Ų124150 Ų15066%0.66379%0.79SS**  trans-156.4158.9-147.6-159.1-4.9000108.7
1601I22.7Very low23.2Very low124 Ų124147.7 Ų147.764%0.63679%0.788SS**  trans70.8102.6168.4-49.8151.9000112.9I1603I1601-I1603 HydrophobicContact CG2-CD1 3.73Å; I1601-I1603 HydrophobicContact CG2-CG1 4.26Å
1602S21.6Very low23.3Very low112 Ų112154.6 Ų154.678%0.78380%0.8SS**  71.3159.467.3-165.90000114.6
1603I21.6Very low23.4Very low121 Ų121155.4 Ų155.462%0.62180%0.8SS**  trans106.4134.1158.9-57.3165.9000119.1I1601I1601-I1603 HydrophobicContact CG2-CD1 3.73Å; I1601-I1603 HydrophobicContact CG2-CG1 4.26Å
1604Q22.9Very low23.3Very low153 Ų153159.8 Ų159.872%0.71581%0.807SS**  trans69.3115.1162.6-77.5157.241.600118.9
1605K20.8Very low23.4Very low202 Ų202160.8 Ų160.888%0.87881%0.809SS**  53.998.557.2-69.7-171.7173.9178.70115.3
1606K25.8Very low23.2Very low189 Ų189157.3 Ų157.382%0.82280%0.799SS**  trans-164.8115.2149.9-97151.3-175.3171.50106.3
1607A22.6Very low23.1Very low91 Ų91163.9 Ų163.975%0.75281%0.808SS**  75.497.453.600000114.3
1608N22.1Very low22.8Very low165 Ų165163 Ų16388%0.88280%0.802SS**  trans34.1123.3149.1-64.2-10.8000121
1609R26Very low22.9Very low254 Ų254162 Ų16296%0.95881%0.805SS**  -156.2123.9126-119171.9-176.7172.11.5113.3
1610V22.8Very low22.8Very low153 Ų153159.5 Ų159.593%0.92780%0.798SS**  trans-95144.4167.7170.30000108.9
1611G23.1Very low23.1Very low62 Ų62162.1 Ų162.164%0.63981%0.806SS**  trans161130154.600000118.4
1612R24.3Very low23.3Very low244 Ų244161.1 Ų161.192%0.92181%0.81SS**  trans76.7151158.5-61.2179.1173.7-173.2-3.1118
1613K23.1Very low23.5Very low180 Ų180163 Ų16378%0.78381%0.812SS**  cis-178.7134.1-37.1-119.2-179.5-178.9-177.90108.3
1614R20Very low23.9Very low231 Ų231164.7 Ų164.787%0.87282%0.822SS**  trans41.3117.7149.7-70.1-176.4170.5-177.3-4.9121.4
1615R23.5Very low24.7Very low236 Ų236162.6 Ų162.689%0.89182%0.821SS**  177.8123.4125.8-96.7166.4173.3174.7-3.4105.8
1616S19.5Very low25Very low99 Ų99160.6 Ų160.669%0.69282%0.817SS**  cis65.69949.8790000114.4
1617F21.6Very low24.9Very low208 Ų208155.5 Ų155.591%0.91281%0.805SS**  -168160128.6-119.8-87.5000110.9
1618V21.7Very low25.1Very low127 Ų127160.9 Ų160.977%0.7781%0.807SS**  trans-138.4137.5-176.9168.80000108.5
1619C26Very low25.5Very low123 Ų123160.3 Ų160.383%0.83181%0.805SS**  trans-168.1126.3154.7-850000104.5
1620D24Very low25.5Very low151 Ų151151.6 Ų151.681%0.80779%0.793SS**  cis97150.937-155.711.2000112.1
1621E29.9Very low25.8Very low180 Ų180152.1 Ų152.184%0.84179%0.791SS**  trans80.1144.1-157.2-56.4-180172.700115.8
1622S27.3Very low25.8Very low102 Ų102154.2 Ų154.271%0.71380%0.796SS**  174.8116.5-5853.10000109.7
1623D26Very low26.1Very low153 Ų153149.3 Ų149.382%0.81879%0.788SS**  trans-6.1140.7167.4-44.8-34.9000123.3
1624D29.5Very low26.2Very low156 Ų156149.5 Ų149.583%0.83479%0.792SS**  trans42.2160.1133.1-70.3-12.5000121.9
1625P39.8Very low26.5Very low108 Ų108147 Ų14770%0.70179%0.787SS**  cis-156.9-167.934.741.9-16.7000119.1
1626M26.1Very low26.8Very low161 Ų161141.6 Ų141.679%0.79378%0.78SS**  trans64.6123.2159-53.4-52.9-90.800118.9
1627S24.8Very low27.1Very low82 Ų82143.8 Ų143.857%0.57379%0.785SS**  cis103.8149.729.174.20000114.5
1628Y26.6Very low27.3Very low203 Ų203141 Ų14180%0.79678%0.779SS**  trans102148.2158.8-94.1-97.7000122.6
1629D30.8Very low28.2Very low154 Ų154139.9 Ų139.982%0.82478%0.775SS**  trans72.9151.6162.6-64.2-40.3000122.7
1630G24.9Very low28.2Very low70 Ų70141.7 Ų141.772%0.72278%0.775SS**  trans-168.1171178.300000114.5
1631N28.8Very low28.2Very low164 Ų164142.1 Ų142.188%0.87777%0.772SS**  trans66.7154.5172.7-923.5000120.5
1632S24.7Very low28Very low106 Ų106139.4 Ų139.474%0.74176%0.763SS**  trans62116.5179.250.30000118.1
1633D29.8Very low28Very low142 Ų142140.8 Ų140.876%0.75976%0.761SS**  -174142.597.5-112.8-11.2000113.1
1634E24.2Very low28.1Very low184 Ų184141.2 Ų141.286%0.8676%0.758SS**  trans-104.2133.6160.7-74.1-179.3123.400108.9
1635K26.3Very low28Very low178 Ų178141.9 Ų141.977%0.77476%0.757SS**  trans-169.5144.1161.7-108.8155.5-168.51610112.8
1636T30.8Very low27.5Very low122 Ų122144.5 Ų144.575%0.74876%0.764SS**  trans62.180.6155.653.80000119.9
1637D25.4Very low28Very low146 Ų146144.2 Ų144.278%0.78177%0.766SS**  38.1116.7117.3-56.4-54.8000123
1638N26.3Very low28.5Very low149 Ų149145.7 Ų145.780%0.79777%0.773SS**  34163.4115.5-80.7-16.3000122.5
1639P39.7Very low28.5Very low104 Ų104142.1 Ų142.168%0.67577%0.768SS**  cis-141.5157.9-40.939.7-23.1000114.3
1640L25.9Very low28.3Very low161 Ų161143.2 Ų143.284%0.84377%0.765SS**  trans-151.4112.7154.9-76.3-179.3000107.6
1641E24.8Very low28.3Very low159 Ų159145 Ų14574%0.74377%0.767SS**  77.4129.274.9-90-162.1-176.300115.8
1642N25.6Very low28.1Very low123 Ų123142.9 Ų142.966%0.65877%0.765SS**  trans89.9118.2141.8-78.4-32.7000122.6
1643I27.2Very low28Very low131 Ų131141.5 Ų141.567%0.67277%0.768SS**  112.8137.5124.2-76166000119.7
1644E29.3Very low27.8Very low162 Ų162142.1 Ų142.176%0.75777%0.771SS**  trans82.896160.6-86.3145.8-14200122.6
1645E25.7Very low28Very low170 Ų170141.8 Ų141.879%0.79477%0.769SS**  55.5113117.1-62.7-168.6147.200120.9
1646L30.6Very low27.9Very low163 Ų163139.9 Ų139.985%0.85376%0.763SS**  173.799.9103.9-91.1163.2000111.3
1647D36.5Very low27.8Very low156 Ų156141.9 Ų141.983%0.83477%0.765SS**  trans-82.5142154.6-86.5-47.1000108.2
1648P34.1Very low27.7Very low113 Ų113141.7 Ų141.773%0.73476%0.76SS**  -150.6137.998.235.1-16.2000117.5
1649D27.9Very low27.6Very low127 Ų127140 Ų14068%0.67976%0.755SS**  trans29.9117.7133.5-78.3-50.5000122.9
1650K25.3Very low26.9Very low177 Ų177143.5 Ų143.577%0.7776%0.762SS**  37.3129.2109.3-69.1179.3-170.2142.20120.2
1651S24.7Very low26.7Very low108 Ų108138.9 Ų138.976%0.75575%0.754SS**  115.8130.1119.371.20000119.9
1652S24.7Very low26.7Very low120 Ų120137.4 Ų137.484%0.83976%0.756SS**  trans54.3119.3145.856.20000120.5
1653G23.5Very low26.7Very low77 Ų77138 Ų13879%0.79476%0.759SS**  trans-166.568.7168.500000112.8
1654N25.6Very low26.7Very low154 Ų154139.3 Ų139.382%0.82477%0.767SS**  trans-58.3140.5168.7-75.8-29.5000110.5
1655H28.3Very low26.4Very low178 Ų178137.2 Ų137.282%0.82477%0.765SS**  trans-154121.8141.3-94.8-63.8000112.7
1656H23.9Very low26.4Very low138 Ų138137.6 Ų137.664%0.63977%0.767SS**  trans13.6128.6146.8-72.4-96.2000119.4
1657M29.5Very low26Very low164 Ų164134 Ų13481%0.80875%0.751SS**  -163132.785.1-99.1-60.217000112.5
1658E22.8Very low25.4Very low142 Ų142131.4 Ų131.466%0.66474%0.741SS**  trans-66.9157.2159.4-58.2149.911900109
1659T24.9Very low24.8Very low113 Ų113135.8 Ų135.869%0.69374%0.743SS**  169147104.133.60000114.2
1660E23.2Very low24.6Very low177 Ų177139 Ų13983%0.82775%0.746SS**  trans66.295.9141.3-69.7167.1-155.300119.9
1661G23.2Very low24.5Very low65 Ų65142 Ų14267%0.6775%0.753SS**  trans-70.8-167.7153.800000113.7
1662T25.1Very low24.3Very low128 Ų128140.8 Ų140.879%0.78576%0.756SS**  178.8153129.5300000110.2
1663N24.7Very low24.4Very low134 Ų134146.1 Ų146.172%0.71776%0.758SS**  trans59.6117.3156-53.4-26.1000117.5
1664N27.5Very low24.5Very low160 Ų160148.1 Ų148.186%0.85676%0.757SS**  -169.2167.157-114-36.3000114.8
1665V22.4Very low24.5Very low118 Ų118144.1 Ų144.172%0.71575%0.746SS**  trans-103.1123.4-172.5172.10000112.5V1667V1665-V1667 HydrophobicContact CG1-CG2 3.98Å
1666H25.6Very low24.3Very low177 Ų177146.8 Ų146.882%0.81975%0.748SS**  trans-151.6117.4152-119.152.6000109.8
1667V22.7Very low24.3Very low88 Ų88148.3 Ų148.353%0.53376%0.76SS.*  87.611350.8174.20000112.8V1665V1665-V1667 HydrophobicContact CG1-CG2 3.98Å
1668T23.8Very low24Very low102 Ų102148.3 Ų148.363%0.62676%0.758SS**  trans87.3136151.158.40000124.1
1669R22.4Very low24.1Very low205 Ų205151.8 Ų151.877%0.77477%0.765SS**  trans74145.1138.5-74159.6-174.1-171.41.1116
1670R23.7Very low24Very low195 Ų195151.1 Ų151.174%0.73676%0.76SS**  cis-141.3132.25.2-109.4147.7-174.9-138.86.4108.1
1671R22.8Very low24.1Very low240 Ų240152.9 Ų152.991%0.90676%0.761SS**  54.4123.3105.1-66.9-171.4177-177.2-2.6115.8
1672G21Very low24Very low81 Ų81154.4 Ų154.484%0.83576%0.761SS**  trans158.978157.800000115.7
1673R25.2Very low24Very low232 Ų232160.4 Ų160.488%0.87577%0.77SS**  trans-56.5165.4164.6-93.4-174.4-178.6178.41.6111.8
1674P27.2Very low24Very low120 Ų120166 Ų16678%0.77978%0.781SS**  cis-126.714921.5187.3000115.1
1675A24.1Very low23.8Very low70 Ų70162 Ų16258%0.57978%0.778SS**  70.2101.359.500000112.6
1676R25.3Very low23.9Very low233 Ų233168.2 Ų168.288%0.87979%0.789SS**  85.597.880.6-86.8-178.6162.1179.4-3.7114.4
1677L22.6Very low23.9Very low170 Ų170171.3 Ų171.389%0.8979%0.793SS**  trans-172.4119.9149.6-89.5-174.8000107.9
1678H24.5Very low24.1Very low164 Ų164172.9 Ų172.976%0.75981%0.805SS**  cis90.579.4-24.8-157-34.3000120.7
1679R25.3Very low24.1Very low216 Ų216173.6 Ų173.682%0.81581%0.81SS**  trans-163.7119.8147.2-108.2-174.5166.892.2-0.3110.8
1680V22Very low24.2Very low98 Ų98172.7 Ų172.759%0.59481%0.811SS**  85.2132.993.9159.40000112.4
1681Y24.8Very low24.1Very low214 Ų214172.1 Ų172.184%0.83981%0.814SS**  cis-111.4158.814.2-73.8-102.6000112.2
1682S22Very low24.2Very low97 Ų97167.8 Ų167.868%0.67881%0.806SS**  cis79.189.713.4-1560000118.5
1683R25.3Very low24.3Very low254 Ų254168.4 Ų168.496%0.95880%0.798SS**  trans-140.5125.2144-80.3-161.7174.6-147.5-1.1110.8
1684R23.2Very low24.2Very low251 Ų251164.1 Ų164.195%0.94779%0.788SS**  trans-116.7113.2166.7-132.5-176.3-168.7-171.64.8107.5
1685G25.1Very low24.1Very low78 Ų78166 Ų16680%0.80478%0.784SS**PPolyproline II helixtrans-103.9140.217300000110.6
1686R22.6Very low23.9Very low248 Ų248168.2 Ų168.294%0.93679%0.79SS**PPolyproline II helixtrans-72.9154.5-173.4-69.9168.6167.3-138.1-0.3113.7
1687R26.9Very low23.8Very low242 Ų242162.3 Ų162.391%0.91378%0.784SS**PPolyproline II helixtrans-47.3155.1162.2-60.7172.1167.3170.4-5.4112
1688P27.2Very low23.8Very low121 Ų121162.5 Ų162.579%0.78678%0.78SS**  -147.4157.483.137-18.1000118.4
1689T23.4Very low23.7Very low117 Ų117159.2 Ų159.272%0.71878%0.775SS**  trans-27.6146.4157.856.40000116.9
1690K24.6Very low23.8Very low185 Ų185155.6 Ų155.680%0.80477%0.771SS**  -175.8156.973.8-91.9-175.2178.2178.30112.7
1691F21.8Very low23.7Very low184 Ų184161.7 Ų161.781%0.80778%0.784SS**  trans13.2145.3132.4-79.3-114.9000119
1692M23.5Very low23.9Very low148 Ų148158.4 Ų158.473%0.72979%0.786SS**  cis-173.41610.5-134.4-175.8125.300109.9
1693S24.7Very low24Very low95 Ų95160.6 Ų160.666%0.66480%0.795SS**  trans64.2157.3157-52.20000118.2
1694E22.4Very low23.9Very low141 Ų141157 Ų15766%0.65979%0.789SS**  cis-167.6153.7-18.7-116-161141.100108.1
1695K24.1Very low24.1Very low161 Ų161150.5 Ų150.570%0.778%0.78SS**  trans64.4157156.9-65.2173.2172.785.20118.2
1696V21.4Very low24.2Very low116 Ų116152.4 Ų152.470%0.70378%0.781SS**  cis-167.1148.7-20.4133.60000107.5
1697S23.3Very low24.4Very low108 Ų108148.4 Ų148.476%0.75578%0.777SS**  trans65.6160.9163.481.70000117.4
1698H22.7Very low24.1Very low174 Ų174146 Ų14681%0.80678%0.776SS**  cis-152.6175.1-16.5-141.91.1000108.5
1699C20.8Very low24.1Very low96 Ų96144.2 Ų144.265%0.64977%0.772SS**  trans-8.9134167.753.40000120.3
1700D27.2Very low24.1Very low140 Ų140145.5 Ų145.575%0.74978%0.779SS**  -165.1171.193.5-130.7-37.7000114.6
1701R21.9Very low24.1Very low225 Ų225147.2 Ų147.285%0.84978%0.782SS**  trans-66.1144.6-167.6-62.9148.6162.2158.9-6.8116.3
1702T27.1Very low24.2Very low146 Ų146142.9 Ų142.990%0.89678%0.78SS**  trans-159.3156.5131.711.80000110.3
1703V24.3Very low24.2Very low142 Ų142141.4 Ų141.486%0.86179%0.785SS**PPolyproline II helixtrans-91.3131.9-166.2174.50000111.7
1704E23.7Very low24.4Very low178 Ų178142.4 Ų142.483%0.83279%0.789SS**PPolyproline II helixtrans-86139.1169.5-70.8-161.1148.900112.2
1705P28.4Very low24.5Very low116 Ų116140.1 Ų140.175%0.75379%0.794SS**PPolyproline II helixtrans-86.7150.1169.235-32.7000112.3
1706S25.9Very low24.5Very low118 Ų118138.2 Ų138.283%0.82580%0.801SS**PPolyproline II helixtrans-59.9131.4-177.251.80000114.9
1707L26.3Very low24.7Very low163 Ų163138.5 Ų138.585%0.85380%0.803SS**PPolyproline II helixtrans-74.5135167.7-85.986000112.3
1708E22.4Very low24.8Very low191 Ų191139.3 Ų139.389%0.89380%0.799SS**PPolyproline II helixtrans-75.9123162.5-66.4178.3134.800110.1
1709A26.5Very low24.9Very low85 Ų85137.6 Ų137.670%0.70279%0.793SS**  trans-92.1110.617600000110.8Y1711A1709-Y1711 PolarHBondContact O-N 3.28Å; A1709-Y1711 VanDerWaalsContact O-N 3.14Å
1710T24.2Very low25.1Very low143 Ų143137.2 Ų137.288%0.87779%0.791SS**  trans-66.4106.4-178.7-43.60000112.1
1711Y23.8Very low25Very low222 Ų222135.5 Ų135.587%0.87179%0.79SS**PPolyproline II helixtrans-78.2136.2169.2-95.8-91.2000111.6A1709A1709-Y1711 PolarHBondContact O-N 3.28Å; A1709-Y1711 VanDerWaalsContact O-N 3.14Å
1712A24.2Very low25.2Very low92 Ų92130.9 Ų130.976%0.7678%0.781SS**PPolyproline II helixtrans-75.8138.4-173.900000112.9
1713S23.7Very low25.1Very low118 Ų118128.8 Ų128.883%0.82577%0.772SS**PPolyproline II helixtrans-70.7126.5175.1167.90000111.4
1714P27.6Very low25.2Very low115 Ų115131 Ų13175%0.74777%0.77SS**PPolyproline II helixtrans-78.8158.6168.432.3-33.2000111.6
1715A25Very low25.3Very low93 Ų93130 Ų13077%0.76977%0.77SS**PPolyproline II helixtrans-60.7143.4-163.600000115.7V1717A1715-V1717 PolarHBondContact O-N 2.85Å
1716S24Very low25Very low122 Ų122129.8 Ų129.885%0.85377%0.77SS**  trans-63.2108.2170.753.30000111.8
1717V25.7Very low24.9Very low121 Ų121129.1 Ų129.173%0.73376%0.76SS**  trans-84.4129.7162.5178.80000108.5A1715 M1719A1715-V1717 PolarHBondContact O-N 2.85Å; V1717-M1719 PolarHBondContact O-N 2.93Å
1718D24.6Very low24.7Very low126 Ų126126.9 Ų126.967%0.67475%0.754SS**  trans-71.693.3-172.5-160.5-30.4000111.5S1720D1718-S1720 PolarHBondContact O-N 3Å; D1718-S1720 VanDerWaalsContact OD1-CB 3.27Å; D1718-S1720 WeakPolarHBondContact OD1-CB 3.45Å; D1718-S1720 PolarHBondContact OD1-OG 3.03Å
1719M24.6Very low24.9Very low138 Ų138123.7 Ų123.768%0.6875%0.747SS**  trans-76.725.7-177.2-81.6-74.8-170.100114.2V1717 S1721 I1722V1717-M1719 PolarHBondContact O-N 2.93Å; M1719-S1721 PolarHBondContact O-N 2.91Å; M1719-S1721 VanDerWaalsContact O-N 3.14Å; M1719-I1722 HydrophobicContact CE-CD1 4.3Å; M1719-I1722 HydrophobicContact SD-CD1 3.57Å; M1719-I1722 VanDerWaalsContact SD-CD1 3.57Å; M1719-I1722 HydrophobicContact SD-CG1 4.15Å
1720S25.6Very low24.7Very low88 Ų88125.6 Ų125.662%0.61575%0.745SS**THydrogen-bonded Turntrans-720.1-178.447.70000115D1718D1718-S1720 PolarHBondContact O-N 3Å; D1718-S1720 VanDerWaalsContact OD1-CB 3.27Å; D1718-S1720 WeakPolarHBondContact OD1-CB 3.45Å; D1718-S1720 PolarHBondContact OD1-OG 3.03Å
1721S25.7Very low24.6Very low103 Ų103124 Ų12472%0.7274%0.735SS**THydrogen-bonded Turntrans-108.1-5.4-177.949.10000116.2M1719 S1723M1719-S1721 PolarHBondContact O-N 2.91Å; M1719-S1721 VanDerWaalsContact O-N 3.14Å; S1721-S1723 VanDerWaalsContact C-N 3.33Å; S1721-S1723 PolarHBondContact O-N 3.14Å
1722I25.4Very low24.5Very low128 Ų128120.6 Ų120.666%0.65673%0.727SS**  trans-99.343.1176.4-44.1-175.7000111.2M1719M1719-I1722 HydrophobicContact CE-CD1 4.3Å; M1719-I1722 HydrophobicContact SD-CD1 3.57Å; M1719-I1722 VanDerWaalsContact SD-CD1 3.57Å; M1719-I1722 HydrophobicContact SD-CG1 4.15Å
1723S24.9Very low24.5Very low102 Ų102126.2 Ų126.271%0.71373%0.73SS**  trans-100.223178.756.60000113.5S1721S1721-S1723 VanDerWaalsContact C-N 3.33Å; S1721-S1723 PolarHBondContact O-N 3.14Å
1724K26.7Very low24.6Very low188 Ų188127.5 Ų127.582%0.81773%0.728SS**SBendtrans-138.1147.3172.1-73.1179.3179170.60110.5
1725L25.1Very low24.5Very low159 Ų159130 Ų13083%0.83274%0.735SS**  trans80.539.4174.5-128.876.2000119.2V1727L1725-V1727 VanDerWaalsContact C-N 3.29Å; L1725-V1727 HydrophobicContact CD1-CG2 3.97Å; L1725-V1727 HydrophobicContact CG-CG2 4.18Å; L1725-V1727 PolarHBondContact O-N 3.11Å
1726C22.3Very low24.4Very low110 Ų110134 Ų13474%0.74374%0.738SS**  trans-82.381.7139.5-80.70000108.5T1728C1726-T1728 PolarHBondContact O-N 3.06Å
1727V23.9Very low24.4Very low104 Ų104134.9 Ų134.963%0.6374%0.737SS**  trans-75.6112.4161.9175.20000106.6L1725 V1729L1725-V1727 VanDerWaalsContact C-N 3.29Å; L1725-V1727 HydrophobicContact CD1-CG2 3.97Å; L1725-V1727 HydrophobicContact CG-CG2 4.18Å; L1725-V1727 PolarHBondContact O-N 3.11Å; V1727-V1729 PolarHBondContact O-N 3.35Å
1728T23.4Very low24.4Very low116 Ų116138.4 Ų138.471%0.71275%0.746SS**  trans-57.7118.6161.741.40000107.5C1726 D1730C1726-T1728 PolarHBondContact O-N 3.06Å; T1728-D1730 PolarHBondContact O-N 2.91Å
1729V25.2Very low24.2Very low124 Ų124141.6 Ų141.675%0.75276%0.757SS**  trans-72.970.3171.5-171.90000108.4V1727 V1731V1727-V1729 PolarHBondContact O-N 3.35Å; V1729-V1731 HydrophobicContact CG1-CG2 3.87Å; V1729-V1731 PolarHBondContact O-N 2.79Å
1730D22.9Very low24.1Very low126 Ų126143.1 Ų143.167%0.67477%0.767SS**  trans-59.4114.2141.6-92.4-39.3000104.8T1728 H1732T1728-D1730 PolarHBondContact O-N 2.91Å; D1730-H1732 PolarHBondContact O-N 2.77Å
1731V22.4Very low24Very low109 Ų109147.1 Ų147.166%0.66178%0.78SS**  trans-70.376173.5-176.40000107.8V1729 Y1733V1729-V1731 HydrophobicContact CG1-CG2 3.87Å; V1729-V1731 PolarHBondContact O-N 2.79Å; V1731-Y1733 HydrophobicContact CG1-CD2 4.06Å; V1731-Y1733 HydrophobicContact CG1-CE2 3.95Å; V1731-Y1733 PolarHBondContact O-N 2.73Å
1732H22.4Very low23.9Very low151 Ų151147.9 Ų147.970%0.69979%0.785SS**PPolyproline II helixtrans-64116.9154.4-92-71.8000106.5D1730 D1734D1730-H1732 PolarHBondContact O-N 2.77Å; H1732-D1734 PolarHBondContact O-N 3.47Å
1733Y23.9Very low23.9Very low210 Ų210147.8 Ų147.882%0.82479%0.793SS**PPolyproline II helixtrans-68.3122.1159.9-87.3-107.7000106.5V1731V1731-Y1733 HydrophobicContact CG1-CD2 4.06Å; V1731-Y1733 HydrophobicContact CG1-CE2 3.95Å; V1731-Y1733 PolarHBondContact O-N 2.73Å
1734D26Very low23.7Very low145 Ų145150.9 Ų150.978%0.77580%0.801SS**PPolyproline II helixtrans-78.4122.9-173.6-67.7-51.5000112H1732H1732-D1734 PolarHBondContact O-N 3.47Å
1735D24.6Very low23.5Very low168 Ų168149.6 Ų149.690%0.89880%0.803SS**  trans-99.647.5169.9-75.5-41.6000110.5
1736E23.6Very low23.3Very low177 Ų177150.6 Ų150.683%0.82780%0.803SS**  trans-132.862.3-177.7-70.2-161.2177.800115.3
1737V23.4Very low23.2Very low140 Ų140154.7 Ų154.785%0.84881%0.811SS**  trans-137.375.4158.1-172.30000111.1
1738E25.4Very low23Very low195 Ų195154.9 Ų154.991%0.91182%0.817SS**  trans-160.861.4159-127.1177-154.300114.2
1739Q21.6Very low22.9Very low193 Ų193159.1 Ų159.190%0.90283%0.826SS**SBendtrans-136.931167.7-75.9-159.3800114.8
1740L21.3Very low22.6Very low170 Ų170161.2 Ų161.289%0.8983%0.825SS**SBendtrans-14138.4175.3-80.3-176.1000115.6
1741L23.7Very low22.6Very low171 Ų171160.6 Ų160.690%0.89583%0.828SS**  trans-139.685.1165.7-73.4178.4000112.1
1742S22.8Very low22.5Very low119 Ų119165.3 Ų165.383%0.83284%0.839SS**  trans-105.2105.1162.4-66.50000109.1L1744S1742-L1744 PolarHBondContact O-N 2.78Å
1743P26.3Very low22.5Very low126 Ų126161.3 Ų161.382%0.81884%0.839SS**PPolyproline II helixtrans-68.6123.5-175.3-21.434000112.8N1745P1743-N1745 PolarHBondContact O-N 3.27Å
1744L21.5Very low22.5Very low168 Ų168159.4 Ų159.488%0.8884%0.843SS**PPolyproline II helixtrans-69.6120.3171.3-87.6155.6000110.7S1742 H1746S1742-L1744 PolarHBondContact O-N 2.78Å; L1744-H1746 PolarHBondContact O-N 3.21Å
1745N21Very low22.4Very low160 Ų160158.3 Ų158.386%0.85685%0.846SS**PPolyproline II helixtrans-74.6121.2171-92.5-50.4000110.8P1743P1743-N1745 PolarHBondContact O-N 3.27Å
1746H22.1Very low22.3Very low181 Ų181153.6 Ų153.684%0.83884%0.838SS**  trans-120.9135.2164.1-95.9-3.2000112.1L1744L1744-H1746 PolarHBondContact O-N 3.21Å
1747Q19.2Very low22.2Very low195 Ų195150.8 Ų150.891%0.91184%0.838SS**  trans-91.3127.7178.1-58176.68.400110.4
1748S20.4Very low22.2Very low108 Ų108149.6 Ų149.676%0.75583%0.83SS**  trans-162115.1155.243.70000108.5
1749K20.2Very low22.1Very low206 Ų206147.2 Ų147.290%0.89682%0.824SS**  59.1114.689.9-73.7-173.8176.81770114.3
1750K20.7Very low22.1Very low167 Ų167142.5 Ų142.573%0.72681%0.812SS**  trans-96.8135173.5-71.3179.3170.8-178.70112.6
1751P22.5Very low22.2Very low114 Ų114138.7 Ų138.774%0.7480%0.8SS**  trans-104.3144.1138.331.5-20.1000109.5
1752K20.8Very low22.3Very low208 Ų208138 Ų13890%0.90480%0.796SS**  82.2120.454.7-91.4-163174.6-172.40115.1
1753G22Very low22.3Very low67 Ų67137.6 Ų137.669%0.69179%0.789SS**  trans77153.1168.600000115.3
1754D23.4Very low22.4Very low170 Ų170140.8 Ų140.891%0.90979%0.79SS**  cis-158.1163.1-19.9-111.6-32000109.3
1755S22.9Very low22.4Very low121 Ų121137.3 Ų137.385%0.84678%0.78SS**  trans-109127.9-17760.40000114
1756G23.8Very low22.8Very low69 Ų69139.2 Ų139.271%0.71178%0.78SS**  trans-144.6125.5158.100000108.3
1757S21Very low22.8Very low119 Ų119135.7 Ų135.783%0.83278%0.776SS**  81.8152.558.5-169.20000113
1758V24.3Very low22.8Very low114 Ų114132.3 Ų132.369%0.69177%0.773SS**  trans96.899.1171.7-173.20000116.8
1759N22.5Very low23.1Very low145 Ų145132.4 Ų132.478%0.77577%0.771SS**  47.9157.4120.7-52.2-13.2000121.3
1760S22Very low23.1Very low95 Ų95128.6 Ų128.666%0.66477%0.765SS**  cis-175.4162-22.656.50000109.7
1761S22.5Very low23.4Very low90 Ų90126.4 Ų126.463%0.62977%0.765SS**  trans49.2120.4142.863.10000122.8
1762L25.6Very low23.4Very low156 Ų156129.6 Ų129.682%0.81777%0.77SS**  178.297.2126-115.958.3000108.4
1763T23.2Very low23.6Very low110 Ų110125.5 Ų125.568%0.67577%0.767SS**  66.4145.484.169.30000117.5
1764K28.3Very low23.7Very low193 Ų193129 Ų12984%0.83977%0.766SS**  trans89.9133.4168.3-59.6175178174.80115.3
1765S21.1Very low23.7Very low95 Ų95129.9 Ų129.966%0.66476%0.757SS**  cis160.2159.2-19.146.50000106.8
1766K29.6Very low23.7Very low201 Ų201131.3 Ų131.387%0.87476%0.755SS**  trans88.1138.7-178.1-54.9172.1177.8-1770113.9
1767S23.5Very low23.7Very low107 Ų107134.4 Ų134.475%0.74876%0.764SS**  cis-169.4134.6-25.738.40000108
1768C19.6Very low23.8Very low124 Ų124138.9 Ų138.984%0.83876%0.762SS**  trans-76164175.4-55.40000111.7
1769P24.8Very low23.7Very low110 Ų110141.3 Ų141.371%0.71477%0.771SS**  -142.5158.896.439.7-26.6000115.5
1770T21.8Very low23.7Very low126 Ų126142.3 Ų142.377%0.77377%0.768SS**  trans22.2131.9147.660.10000119.2
1771V26.4Very low23.7Very low120 Ų120148.6 Ų148.673%0.72778%0.777SS**  -149.8142.256.7164.10000112.4
1772E22.2Very low23.7Very low182 Ų182148.3 Ų148.385%0.8578%0.78SS**  trans3.2109.1155.3-57.4173.5168.600118.8
1773S24.5Very low23.5Very low121 Ų121145.5 Ų145.585%0.84677%0.774SS**  trans-127.4136.2136.751.60000109.3
1774E24.1Very low23.4Very low141 Ų141147.3 Ų147.366%0.65978%0.778SS**  trans-79.5158.5-166.7-66.3-162.899.100114.3
1775R24.1Very low23.2Very low189 Ų189144 Ų14471%0.71377%0.768SS**  trans54.8101146.3-64.7156.9-155.2-144.611.1116.5
1776N23.1Very low23.3Very low151 Ų151147 Ų14781%0.80778%0.776SS**  58.677.285.6-66.4-24.4000115.6
1777C24.1Very low22.9Very low133 Ų133142.4 Ų142.490%0.89976%0.761SS**  -156.876.7123.8-103.30000111.5L1779C1777-L1779 PolarHBondContact O-N 2.95Å
1778R22Very low22.9Very low213 Ų213143.3 Ų143.380%0.80476%0.757SS**  trans-79.9108172.1-78.2172.3162.1169.1-6110.9K1780R1778-K1780 HydrophobicContact CB-CB 4.48Å; R1778-K1780 HydrophobicContact CB-CG 4.32Å
1779L23Very low22.9Very low166 Ų166142.2 Ų142.287%0.86975%0.75SS**  trans-105.2115143.4-73.8159.6000105.1C1777C1777-L1779 PolarHBondContact O-N 2.95Å
1780K22.5Very low22.8Very low166 Ų166142.6 Ų142.672%0.72275%0.75SS**  cis61.354.413.1-78-157.1173.8-166.90115.9R1778R1778-K1780 HydrophobicContact CB-CB 4.48Å; R1778-K1780 HydrophobicContact CB-CG 4.32Å
1781R21.7Very low23Very low226 Ų226139.3 Ų139.385%0.85373%0.732SS**  -130.6119.1121.5-92.5-173.1155.492.7-1.6106.9
1782A22.7Very low22.9Very low84 Ų84140.6 Ų140.669%0.69473%0.73SS**  73.610069.300000111
1783S21.6Very low23.2Very low97 Ų97138.9 Ų138.968%0.67873%0.725SS**  trans-55.8131.7158.133.70000111.2
1784I21.7Very low23.3Very low148 Ų148138.4 Ų138.476%0.75972%0.718SS**  trans-129.5116.8146-61.5171.9000100.8L1786I1784-L1786 HydrophobicContact CG2-CG 4.16Å; I1784-L1786 VanDerWaalsContact CG2-N 3.28Å
1785I22.7Very low23.3Very low125 Ų125137.9 Ų137.964%0.64172%0.724SS**  cis51.556.513.8-44.8-174.9000112.4D1787I1785-D1787 HydrophobicContact CG2-CB 3.85Å
1786L23.4Very low23.4Very low156 Ų156133 Ų13382%0.81772%0.724SS**  -102.4122.4107.8-64.2164.3000103I1784I1784-L1786 HydrophobicContact CG2-CG 4.16Å; I1784-L1786 VanDerWaalsContact CG2-N 3.28Å
1787D21.4Very low23.4Very low106 Ų106133.2 Ų133.257%0.56773%0.725SS**  cis54.4117.520.4-142.318.2000115.8I1785I1785-D1787 HydrophobicContact CG2-CB 3.85Å
1788N22.6Very low23.5Very low125 Ų125133 Ų13367%0.66872%0.715SS**  trans55.794.3146.6-77.6-15000120.2
1789C21.4Very low23.6Very low102 Ų102133 Ų13369%0.68972%0.715SS**  98.3159.692.8-95.60000120.2
1790V22.1Very low23.6Very low118 Ų118129.3 Ų129.372%0.71572%0.717SS**  trans59.1104.6138.5166.50000114
1791S25.1Very low23.7Very low56 Ų56131.8 Ų131.839%0.39272%0.722SS.*  cis149.4-17340.953.50000107
1792Q25Very low23.8Very low147 Ų147131.2 Ų131.269%0.68772%0.719SS**  trans62.9106.3151.5-73.3173.890.800114.4
1793I28.2Very low24Very low147 Ų147132.8 Ų132.875%0.75473%0.725SS**  -171.1158.253.4-104.6149.5000110.9
1794T25.9Very low24.3Very low111 Ų111135.4 Ų135.468%0.68173%0.732SS**  trans-38.3166.7179.259.10000121.2
1795T26.1Very low24.5Very low129 Ų129140.5 Ų140.579%0.79174%0.741SS**  trans90.8131.2151.866.80000120.5
1796A24.6Very low24.7Very low87 Ų87138.6 Ų138.672%0.71975%0.753SS**  trans60.7124.714700000120.8
1797N24.6Very low24.6Very low155 Ų155142.6 Ų142.683%0.82976%0.757SS**  trans53.7109142.7-67.84.6000120
1798D24.5Very low25.4Very low128 Ų128143.2 Ų143.268%0.68477%0.766SS**  75.8144.4115.4-143.117.2000119.3
1799R25.1Very low25.4Very low215 Ų215149 Ų14981%0.81178%0.779SS**  trans6179.1164.2-60.4164.1-168.5-147.5-5.9118.3R1801R1799-R1801 PolarHBondContact O-N 2.85Å
1800G23.3Very low25.5Very low87 Ų87153.7 Ų153.790%0.89779%0.788SS**  trans-67109.4154.500000112.8
1801R25Very low25.7Very low219 Ų219153.5 Ų153.583%0.82679%0.791SS**  trans-152.391162-147.5178.2-163.8-124.79.1116.1R1799R1799-R1801 PolarHBondContact O-N 2.85Å
1802R22.9Very low25.5Very low214 Ų214158.2 Ų158.281%0.80881%0.812SS**  trans53.299.2139.3-59.8179.2175.3-176.4-2.8120.4
1803S27.6Very low25.5Very low117 Ų117157.6 Ų157.682%0.81882%0.818SS**  trans-152.4124.9135.258.10000107.6
1804N27.2Very low25.4Very low152 Ų152156.2 Ų156.281%0.81382%0.817SS**  cis74.670.217.9-130.926.7000115.8
1805R26.5Very low25.4Very low255 Ų255158.5 Ų158.596%0.96282%0.824SS**  trans172.7146.1131.6-93.8162.7-177.9-165.80.6111.5
1806G25.6Very low25.6Very low85 Ų85157.8 Ų157.888%0.87682%0.822SS**  trans175.618.7178.100000123.6
1807R23.1Very low25.7Very low240 Ų240161 Ų16191%0.90683%0.826SS**SBendtrans-148.9146.2159.3-173.4-179.6-170.1-139.83.4109.6
1808P37.6Very low25.6Very low118 Ų118159.4 Ų159.477%0.76683%0.825SS**  cis-107.4179.2-24.636.3-24.1000112.2
1809R23.1Very low25.5Very low248 Ų248158.7 Ų158.794%0.93683%0.83SS**  trans-76.2146.8174.2-63.7168.2172.2161.6-5.5112.5
1810K23.5Very low26Very low200 Ų200154.1 Ų154.187%0.8783%0.828SS**  trans-146.1140.2144.1-107.3-169.2176.4-172.70109.2
1811S25.4Very low26.1Very low113 Ų113159.3 Ų159.379%0.7983%0.829SS**  trans55.4118.7162.952.90000120.8
1812D21.3Very low26.2Very low156 Ų156156.5 Ų156.583%0.83483%0.83SS**  trans-67.9176.2149.7-53.5-80.4000112.8
1813V25.5Very low26.9Very low134 Ų134151.3 Ų151.381%0.81282%0.824SS**  trans13794.7151.4172.90000113.9
1814T25Very low26.8Very low118 Ų118153 Ų15372%0.72482%0.824SS**  trans66.7118.7131-40.10000123.7
1815L25.8Very low26.5Very low158 Ų158150.9 Ų150.983%0.82782%0.821SS**  trans12.9164.4147.3-71.6111000123.5
1816P30.5Very low26.5Very low115 Ų115145.3 Ų145.375%0.74782%0.815SS**  cis-137.9-170.6-14.834.5-11.8000116.4
1817N27Very low26.3Very low153 Ų153148.2 Ų148.282%0.81881%0.811SS**  trans-46.6153.1169.7-100.7-13.7000116.5
1818P23.5Very low26.6Very low123 Ų123142.6 Ų142.680%0.79981%0.805SS**  -147.9176.777.940.4-21.1000119.8
1819S21.5Very low26Very low112 Ų112144.4 Ų144.478%0.78381%0.808SS**  trans-58178.2-176.741.60000119.6
1820P35.5Very low26.1Very low119 Ų119137.6 Ų137.677%0.77380%0.798SS**  trans-109.1163.4-155.641.5-34.7000116.7
1821E26.3Very low26.4Very low196 Ų196133.4 Ų133.492%0.91679%0.793SS**  trans-139.7142.4158.1-67.7-171.1150.300111.4
1822N25.8Very low26.8Very low160 Ų160132.4 Ų132.486%0.85679%0.786SS**  trans-91.5175.7161-73.5-41.7000108.4
1823P37Very low27.5Very low106 Ų106134.8 Ų134.869%0.68878%0.783SS**  cis-118.1-177.6-33.830.5-11.3000110.5
1824D25.6Very low28.6Very low153 Ų153134.4 Ų134.482%0.81877%0.772SS**  161.5160.4127.5-88-15.3000114.1V1826D1824-V1826 PolarHBondContact O-N 2.59Å
1825S21.5Very low30.1Very low106 Ų106134.6 Ų134.674%0.74177%0.765SS**  trans-69.5122-171.155.80000114.3
1826V26.7Very low32Very low138 Ų138128.7 Ų128.784%0.83673%0.733SS**  trans-126.2109.6148.1-176.70000108.1D1824 P1828D1824-V1826 PolarHBondContact O-N 2.59Å; V1826-P1828 WeakPolarHBondContact O-CD 3.42Å
1827N22.4Very low34.4Very low147 Ų147127.7 Ų127.779%0.78672%0.721SS**  trans-58.8120.5177.9-79.3-45000110.2L1829N1827-L1829 VanDerWaalsContact C-N 3.29Å; N1827-L1829 PolarHBondContact O-N 2.87Å
1828P27.6Very low37.3Very low121 Ų121123.4 Ų123.479%0.78670%0.696SS**  trans-74.790.2171.830.7-32.1000108.5V1826V1826-P1828 WeakPolarHBondContact O-CD 3.42Å
1829L26.3Very low40.2Very low157 Ų157120.8 Ų120.882%0.82269%0.685SS**  trans37.492.1160.3-64.5166.6000113.9N1827 C1831N1827-L1829 VanDerWaalsContact C-N 3.29Å; N1827-L1829 PolarHBondContact O-N 2.87Å; L1829-C1831 PolarHBondContact O-N 3.24Å
1830S23.9Very low43.2Very low104 Ų104118.2 Ų118.273%0.72767%0.665SS**  trans-44.4110.314449.70000107.8S1832S1830-S1832 VanDerWaalsContact C-N 3.34Å; S1830-S1832 WeakPolarHBondContact O-CA 3.45Å; S1830-S1832 PolarHBondContact O-N 3.48Å
1831C31.3Very low45.6Very low113 Ų113112.6 Ų112.676%0.76463%0.628SS**  trans-56.6108.8166-118.20000104.9L1829 R1833L1829-C1831 PolarHBondContact O-N 3.24Å; C1831-R1833 PolarHBondContact O-N 3.03Å
1832S33.2Very low48.5Very low92 Ų92106.9 Ų106.964%0.64360%0.601SS**  trans-80.772.1-151.949.40000110.5S1830 E1834S1830-S1832 VanDerWaalsContact C-N 3.34Å; S1830-S1832 WeakPolarHBondContact O-CA 3.45Å; S1830-S1832 PolarHBondContact O-N 3.48Å; S1832-E1834 PolarHBondContact O-N 3.37Å
1833R36.9Very low51.4Low206 Ų206102.9 Ų102.978%0.77759%0.585SS**  trans43.747.6175.7-167.6-179164.8163.7-3.8110.9C1831 E1835C1831-R1833 PolarHBondContact O-N 3.03Å; R1833-E1835 VanDerWaalsContact C-N 3.27Å; R1833-E1835 HydrophobicContact CG-CG 4.12Å; R1833-E1835 IonicContact CZ-OE1 2.71Å; R1833-E1835 VanDerWaalsContact CZ-OE1 3.29Å; R1833-E1835 IonicContact NE-OE1 3.5Å; R1833-E1835 PolarHBondContact NE-OE1 3.19Å; R1833-E1835 IonicContact NH2-OE1 3.41Å; R1833-E1835 PolarHBondContact NH2-OE1 3.21Å; R1833-E1835 PolarHBondContact O-N 3.06Å
1834E47.9Very low53.9Low125 Ų12598.2 Ų98.258%0.58455%0.554SS**  trans-65.4101.1164.3-72.1-175170.600104.7S1832 F1836S1832-E1834 PolarHBondContact O-N 3.37Å; E1834-F1836 PolarHBondContact O-N 3.41Å
1835E56.2Low56.8Low122 Ų12291 Ų9157%0.5752%0.515SS*.  trans-65.288.5-178.4-77.9174.8167.100107.2R1833 D1837R1833-E1835 VanDerWaalsContact C-N 3.27Å; R1833-E1835 HydrophobicContact CG-CG 4.12Å; R1833-E1835 IonicContact CZ-OE1 2.71Å; R1833-E1835 VanDerWaalsContact CZ-OE1 3.29Å; R1833-E1835 IonicContact NE-OE1 3.5Å; R1833-E1835 PolarHBondContact NE-OE1 3.19Å; R1833-E1835 IonicContact NH2-OE1 3.41Å; R1833-E1835 PolarHBondContact NH2-OE1 3.21Å; R1833-E1835 PolarHBondContact O-N 3.06Å; E1835-D1837 PolarHBondContact O-N 2.81Å
1836F66.5Low59.8Low34 Ų3488.3 Ų88.315%0.14950%0.497CS..  trans-7177.5169.6-148.3-102.2000105.6E1834 T1840 A1841 F1844 P1932 I1936 L1974E1834-F1836 PolarHBondContact O-N 3.41Å; F1836-T1840 HydrophobicContact CD1-CG2 4.38Å; F1836-T1840 HydrophobicContact CD2-CG2 4.26Å; F1836-T1840 HydrophobicContact CE1-CG2 4.14Å; F1836-T1840 HydrophobicContact CE2-CG2 4.01Å; F1836-T1840 HydrophobicContact CG-CG2 4.43Å; F1836-T1840 HydrophobicContact CZ-CG2 3.95Å; F1836-A1841 HydrophobicContact CD1-CB 3.87Å; F1836-A1841 HydrophobicContact CE1-CB 4.28Å; F1836-F1844 HydrophobicContact CE1-CB 3.9Å; F1836-F1844 HydrophobicContact CE1-CD1 4.39Å; F1836-F1844 HydrophobicContact CE1-CG 4.15Å; F1836-F1844 HydrophobicContact CZ-CB 4.03Å; F1836-F1844 HydrophobicContact CZ-CD1 4.48Å; F1836-F1844 HydrophobicContact CZ-CD2 4.22Å; F1836-F1844 HydrophobicContact CZ-CG 4.02Å; F1836-P1932 WeakPolarHBondContact O-CB 3.49Å; F1836-P1932 VanDerWaalsContact O-CG 3.26Å; F1836-P1932 WeakPolarHBondContact O-CG 3.35Å; F1836-I1936 HydrophobicContact CD2-CD1 4.45Å; F1836-I1936 HydrophobicContact CE1-CD1 4.47Å; F1836-I1936 HydrophobicContact CE2-CD1 4.27Å; F1836-I1936 HydrophobicContact CZ-CD1 4.29Å; F1836-L1974 HydrophobicContact CE2-CD1 4.07Å; F1836-L1974 HydrophobicContact CZ-CD1 4.15Å
1837D80.9Confident62.6Low95 Ų9586.4 Ų86.451%0.50848%0.479SS..  trans-47.1148.8-172-77.4-33.6000110.9E1835 A1839 T1840 A1841E1835-D1837 PolarHBondContact O-N 2.81Å; D1837-A1839 PolarHBondContact O-N 3.25Å; D1837-A1839 VanDerWaalsContact O-N 3.07Å; D1837-T1840 CarbonylContact O-C 3.47Å; D1837-T1840 WeakPolarHBondContact O-CA 3.42Å; D1837-T1840 WeakPolarHBondContact O-CB 3.49Å; D1837-T1840 PolarHBondContact O-N 2.87Å; D1837-A1841 PolarHBondContact O-N 3.09Å
1838Q87.2Confident65.5Low62 Ų6279.6 Ų79.629%0.2944%0.442SS..Hα-helixtrans-47.6-43.6179.2-176.463.825.600112A1841 E1842 L1923Q1838-A1841 PolarHBondContact O-N 2.95Å; Q1838-E1842 PolarHBondContact NE2-OE1 3.13Å; Q1838-E1842 WeakPolarHBondContact O-CB 3.35Å; Q1838-E1842 VanDerWaalsContact O-CG 3.32Å; Q1838-E1842 WeakPolarHBondContact O-CG 3.35Å; Q1838-E1842 PolarHBondContact O-N 2.82Å; Q1838-L1923 PolarHBondContact NE2-O 3.31Å
1839A83.2Confident68.2Low69 Ų6974.9 Ų74.957%0.5741%0.412SS*.Hα-helixtrans-65.3-39.9175.800000113.5D1837 E1842 C1843D1837-A1839 PolarHBondContact O-N 3.25Å; D1837-A1839 VanDerWaalsContact O-N 3.07Å; A1839-E1842 PolarHBondContact O-N 3.21Å; A1839-C1843 WeakPolarHBondContact O-CB 3.43Å; A1839-C1843 PolarHBondContact O-N 3.1Å
1840T85.1Confident70.9Confident58 Ų5872.2 Ų72.236%0.35640%0.402SS..Hα-helixtrans-67.1-38.4176-550000111.1F1836 D1837 F1844F1836-T1840 HydrophobicContact CD1-CG2 4.38Å; F1836-T1840 HydrophobicContact CD2-CG2 4.26Å; F1836-T1840 HydrophobicContact CE1-CG2 4.14Å; F1836-T1840 HydrophobicContact CE2-CG2 4.01Å; F1836-T1840 HydrophobicContact CG-CG2 4.43Å; F1836-T1840 HydrophobicContact CZ-CG2 3.95Å; D1837-T1840 CarbonylContact O-C 3.47Å; D1837-T1840 WeakPolarHBondContact O-CA 3.42Å; D1837-T1840 WeakPolarHBondContact O-CB 3.49Å; D1837-T1840 PolarHBondContact O-N 2.87Å; T1840-F1844 VanDerWaalsContact O-CB 3.24Å; T1840-F1844 WeakPolarHBondContact O-CB 3.45Å; T1840-F1844 PolarHBondContact O-N 2.99Å
1841A87Confident73.9Confident0 Ų068.7 Ų68.70%038%0.375CS..Hα-helixtrans-66.7-43.6174.700000112.7F1836 D1837 Q1838 F1844 L1845 L1923 P1932 V1935F1836-A1841 HydrophobicContact CD1-CB 3.87Å; F1836-A1841 HydrophobicContact CE1-CB 4.28Å; D1837-A1841 PolarHBondContact O-N 3.09Å; Q1838-A1841 PolarHBondContact O-N 2.95Å; A1841-F1844 PolarHBondContact O-N 3.34Å; A1841-L1845 PolarHBondContact O-N 3.27Å; A1841-L1923 HydrophobicContact CB-CD1 3.56Å; A1841-L1923 HydrophobicContact CB-CD2 4.33Å; A1841-P1932 HydrophobicContact CB-CB 3.7Å; A1841-V1935 HydrophobicContact CB-CG2 4.42Å
1842E87.4Confident76.3Confident76 Ų7667.8 Ų67.836%0.35537%0.37SS..Hα-helixtrans-66-41.6176.1-75.6173.7-167.600111.5Q1838 A1839 S1846 L1923Q1838-E1842 PolarHBondContact NE2-OE1 3.13Å; Q1838-E1842 WeakPolarHBondContact O-CB 3.35Å; Q1838-E1842 VanDerWaalsContact O-CG 3.32Å; Q1838-E1842 WeakPolarHBondContact O-CG 3.35Å; Q1838-E1842 PolarHBondContact O-N 2.82Å; A1839-E1842 PolarHBondContact O-N 3.21Å; E1842-S1846 VanDerWaalsContact O-CB 3.29Å; E1842-S1846 WeakPolarHBondContact O-CB 3.4Å; E1842-S1846 PolarHBondContact O-N 3.35Å; E1842-S1846 PolarHBondContact O-OG 3Å; E1842-L1923 HydrophobicContact CB-CD2 4.11Å; E1842-L1923 HydrophobicContact CG-CD2 3.44Å; E1842-L1923 VanDerWaalsContact CG-CD2 3.44Å; E1842-L1923 HydrophobicContact CG-CG 4.03Å
1843C85.4Confident78.8Confident76 Ų7663.7 Ų63.751%0.51434%0.341SS..Hα-helixtrans-61.2-49.2172.9-168.20000110.9A1839 L1845 S1846 E1847A1839-C1843 WeakPolarHBondContact O-CB 3.43Å; A1839-C1843 PolarHBondContact O-N 3.1Å; C1843-L1845 PolarHBondContact O-N 3.32Å; C1843-S1846 WeakPolarHBondContact CA-OG 3.23Å; C1843-S1846 PolarHBondContact O-N 2.93Å; C1843-S1846 PolarHBondContact O-OG 3.18Å; C1843-E1847 WeakPolarHBondContact O-CB 3.48Å; C1843-E1847 PolarHBondContact O-N 3.11Å
1844F89.3Confident81.1Confident9 Ų953.9 Ų53.94%0.03930%0.304CS..Hα-helixtrans-61.4-43.7-179.7-175.6-102000113.2F1836 T1840 A1841 L1848 I1936 L1939 M1967 K1970 L1971 L1974F1836-F1844 HydrophobicContact CE1-CB 3.9Å; F1836-F1844 HydrophobicContact CE1-CD1 4.39Å; F1836-F1844 HydrophobicContact CE1-CG 4.15Å; F1836-F1844 HydrophobicContact CZ-CB 4.03Å; F1836-F1844 HydrophobicContact CZ-CD1 4.48Å; F1836-F1844 HydrophobicContact CZ-CD2 4.22Å; F1836-F1844 HydrophobicContact CZ-CG 4.02Å; T1840-F1844 VanDerWaalsContact O-CB 3.24Å; T1840-F1844 WeakPolarHBondContact O-CB 3.45Å; T1840-F1844 PolarHBondContact O-N 2.99Å; A1841-F1844 PolarHBondContact O-N 3.34Å; F1844-L1848 HydrophobicContact CD1-CD1 3.88Å; F1844-L1848 HydrophobicContact CE1-CD1 3.51Å; F1844-L1848 HydrophobicContact CZ-CD1 3.99Å; F1844-L1848 WeakPolarHBondContact O-CG 3.37Å; F1844-L1848 PolarHBondContact O-N 3.49Å; F1844-L1848 VanDerWaalsContact O-N 3.11Å; F1844-I1936 HydrophobicContact CE1-CG1 4.34Å; F1844-L1939 HydrophobicContact CD1-CD1 4.22Å; F1844-L1939 HydrophobicContact CE1-CD1 3.8Å; F1844-M1967 HydrophobicContact CE1-CG 4.22Å; F1844-M1967 HydrophobicContact CZ-CG 3.81Å; F1844-K1970 HydrophobicContact CE2-CB 3.99Å; F1844-L1971 HydrophobicContact CE2-CD2 4.11Å; F1844-L1971 HydrophobicContact CE2-CG 4.33Å; F1844-L1971 HydrophobicContact CZ-CD2 3.89Å; F1844-L1971 HydrophobicContact CZ-CG 3.98Å; F1844-L1974 HydrophobicContact CD2-CD1 4.22Å; F1844-L1974 HydrophobicContact CE2-CD1 4.36Å
1845L86.2Confident82.7Confident0 Ų056.5 Ų56.50%031%0.309CS..Hα-helixtrans-70-43.7177.9-103.3169.8000112.3A1841 C1843 E1847 L1848 C1849 L1916 L1919 L1923 V1935 L1939A1841-L1845 PolarHBondContact O-N 3.27Å; C1843-L1845 PolarHBondContact O-N 3.32Å; L1845-E1847 VanDerWaalsContact C-N 3.31Å; L1845-E1847 PolarHBondContact O-N 3.12Å; L1845-L1848 PolarHBondContact O-N 3.32Å; L1845-C1849 PolarHBondContact O-N 3.15Å; L1845-C1849 PolarHBondContact O-SG 3.15Å; L1845-C1849 VanDerWaalsContact O-SG 3.38Å; L1845-L1916 HydrophobicContact CD2-CD2 3.98Å; L1845-L1919 HydrophobicContact CD1-CD2 4.22Å; L1845-L1919 HydrophobicContact CD1-CG 4.04Å; L1845-L1919 HydrophobicContact CD2-CD2 4.46Å; L1845-L1923 HydrophobicContact CB-CD2 4.45Å; L1845-L1923 HydrophobicContact CD1-CB 4.44Å; L1845-L1923 HydrophobicContact CD1-CD2 3.9Å; L1845-V1935 HydrophobicContact CD1-CG1 3.48Å; L1845-V1935 VanDerWaalsContact CD1-CG1 3.48Å; L1845-V1935 HydrophobicContact CG-CG1 3.86Å; L1845-L1939 HydrophobicContact CD2-CD1 4.07Å; L1845-L1939 HydrophobicContact CD2-CD2 4.01Å; L1845-L1939 HydrophobicContact CD2-CG 4.25Å; L1845-L1939 HydrophobicContact CG-CD1 4.3Å
1846S85.1Confident83.7Confident50 Ų5052.1 Ų52.135%0.3529%0.291SS..Hα-helixtrans-62.8-38.4176.557.70000112.1E1842 C1843 L1848 C1849 T1850E1842-S1846 VanDerWaalsContact O-CB 3.29Å; E1842-S1846 WeakPolarHBondContact O-CB 3.4Å; E1842-S1846 PolarHBondContact O-N 3.35Å; E1842-S1846 PolarHBondContact O-OG 3Å; C1843-S1846 WeakPolarHBondContact CA-OG 3.23Å; C1843-S1846 PolarHBondContact O-N 2.93Å; C1843-S1846 PolarHBondContact O-OG 3.18Å; S1846-L1848 VanDerWaalsContact C-N 3.3Å; S1846-L1848 PolarHBondContact O-N 2.87Å; S1846-C1849 PolarHBondContact O-N 2.87Å; S1846-T1850 PolarHBondContact O-N 2.98Å
1847E85.6Confident84.3Confident99 Ų9950.5 Ų50.546%0.46328%0.284SS..Hα-helixtrans-78.7-7177.4-145.8-139.9147.100114.1C1843 L1845 T1850 K1970C1843-E1847 WeakPolarHBondContact O-CB 3.48Å; C1843-E1847 PolarHBondContact O-N 3.11Å; L1845-E1847 VanDerWaalsContact C-N 3.31Å; L1845-E1847 PolarHBondContact O-N 3.12Å; E1847-T1850 PolarHBondContact O-OG1 3.07Å; E1847-K1970 PolarHBondContact O-NZ 3.3Å; E1847-K1970 IonicContact OE1-NZ 3.88Å; E1847-K1970 PolarHBondContact OE1-NZ 3.26Å; E1847-K1970 IonicContact OE2-NZ 2.86Å; E1847-K1970 PolarHBondContact OE2-NZ 2.89Å
1848L84.4Confident83.8Confident4 Ų448.2 Ų48.22%0.02127%0.271CS..Hα-helixtrans-87.4-40.3163.4-80.6168.8000111F1844 L1845 S1846 T1850 I1851 A1854 L1939 L1963 M1967F1844-L1848 HydrophobicContact CD1-CD1 3.88Å; F1844-L1848 HydrophobicContact CE1-CD1 3.51Å; F1844-L1848 HydrophobicContact CZ-CD1 3.99Å; F1844-L1848 WeakPolarHBondContact O-CG 3.37Å; F1844-L1848 PolarHBondContact O-N 3.49Å; F1844-L1848 VanDerWaalsContact O-N 3.11Å; L1845-L1848 PolarHBondContact O-N 3.32Å; S1846-L1848 VanDerWaalsContact C-N 3.3Å; S1846-L1848 PolarHBondContact O-N 2.87Å; L1848-T1850 PolarHBondContact O-N 3.02Å; L1848-I1851 HydrophobicContact CD2-CD1 4.02Å; L1848-I1851 WeakPolarHBondContact O-CG1 3.43Å; L1848-I1851 PolarHBondContact O-N 3.14Å; L1848-A1854 WeakPolarHBondContact O-CB 3.19Å; L1848-L1939 HydrophobicContact CD1-CD1 3.62Å; L1848-L1939 HydrophobicContact CD1-CD2 4.35Å; L1848-L1963 HydrophobicContact CD2-CD2 3.98Å; L1848-M1967 HydrophobicContact CD1-CG 4.38Å; L1848-M1967 HydrophobicContact CD2-CB 4.18Å
1849C83.2Confident82.5Confident22 Ų2256.2 Ų56.215%0.14930%0.299CS..Hα-helixtrans-65.3-22.3178.6-71.70000113.9L1845 S1846 I1851 L1858L1845-C1849 PolarHBondContact O-N 3.15Å; L1845-C1849 PolarHBondContact O-SG 3.15Å; L1845-C1849 VanDerWaalsContact O-SG 3.38Å; S1846-C1849 PolarHBondContact O-N 2.87Å; C1849-I1851 VanDerWaalsContact C-N 3.32Å; C1849-L1858 HydrophobicContact CB-CD1 4.29Å
1850T82.7Confident81.3Confident100 Ų10054.6 Ų54.661%0.61328%0.283SS*.THydrogen-bonded Turntrans-73.8-18.1174.552.50000114S1846 E1847 L1848S1846-T1850 PolarHBondContact O-N 2.98Å; E1847-T1850 PolarHBondContact O-OG1 3.07Å; L1848-T1850 PolarHBondContact O-N 3.02Å
1851I86.5Confident79.4Confident31 Ų3153.2 Ų53.216%0.15928%0.28CS..SBendtrans-74.3140.8-174.3-43.8173.8000110.6L1848 C1849 S1853 A1854 L1963 Q1966L1848-I1851 HydrophobicContact CD2-CD1 4.02Å; L1848-I1851 WeakPolarHBondContact O-CG1 3.43Å; L1848-I1851 PolarHBondContact O-N 3.14Å; C1849-I1851 VanDerWaalsContact C-N 3.32Å; I1851-S1853 WeakPolarHBondContact CG2-OG 3.33Å; I1851-S1853 PolarHBondContact O-N 3.38Å; I1851-A1854 VanDerWaalsContact O-CB 3.28Å; I1851-A1854 WeakPolarHBondContact O-CB 3.16Å; I1851-A1854 PolarHBondContact O-N 3.31Å; I1851-L1963 HydrophobicContact CD1-CD2 4.29Å; I1851-Q1966 HydrophobicContact CD1-CB 4.22Å
1852S83.2Confident77.3Confident93 Ų9356 Ų5665%0.6529%0.294SS*.THydrogen-bonded Turntrans-59.9-31.3-17653.50000114.1A1854 R1855S1852-A1854 VanDerWaalsContact C-N 3.29Å; S1852-A1854 PolarHBondContact O-N 3.01Å; S1852-R1855 PolarHBondContact O-N 3.28Å
1853S84.7Confident74.7Confident7 Ų755.7 Ų55.75%0.04931%0.312CS..THydrogen-bonded Turntrans-65.7-25172.144.10000113.3I1851 P1856 C1959 Q1966I1851-S1853 WeakPolarHBondContact CG2-OG 3.33Å; I1851-S1853 PolarHBondContact O-N 3.38Å; S1853-P1856 WeakPolarHBondContact O-CD 3.49Å; S1853-C1959 WeakPolarHBondContact O-CB 3.3Å; S1853-Q1966 PolarHBondContact OG-OE1 3.06Å
1854A84.7Confident72.2Confident0 Ų062.7 Ų62.70%033%0.328CS..Hα-helixtrans-74.4-33176.300000112.9L1848 I1851 S1852 L1857 L1858 L1916 L1963L1848-A1854 WeakPolarHBondContact O-CB 3.19Å; I1851-A1854 VanDerWaalsContact O-CB 3.28Å; I1851-A1854 WeakPolarHBondContact O-CB 3.16Å; I1851-A1854 PolarHBondContact O-N 3.31Å; S1852-A1854 VanDerWaalsContact C-N 3.29Å; S1852-A1854 PolarHBondContact O-N 3.01Å; A1854-L1857 CarbonylContact O-C 3.6Å; A1854-L1857 PolarHBondContact O-N 2.66Å; A1854-L1858 HydrophobicContact CB-CD1 3.96Å; A1854-L1858 HydrophobicContact CB-CG 4.4Å; A1854-L1858 WeakPolarHBondContact O-CG 3.46Å; A1854-L1858 PolarHBondContact O-N 3.18Å; A1854-L1916 HydrophobicContact CB-CD1 4.38Å; A1854-L1963 HydrophobicContact CB-CD1 3.8Å; A1854-L1963 HydrophobicContact CB-CD2 4.32Å; A1854-L1963 HydrophobicContact CB-CG 4.44Å
1855R82.4Confident69.5Low180 Ų18068.9 Ų68.968%0.67937%0.367SS*.Hα-helixtrans-54.3-42.6-173-65.1-179.2176.5-168.4-4.1114.2S1852 R1859S1852-R1855 PolarHBondContact O-N 3.28Å; R1855-R1859 PolarHBondContact O-N 3.09Å
1856P78Confident66.6Low30 Ų3075 Ų7520%0.19540%0.399CS..Hα-helixtrans-67.4-33.3175.2-2438000113.5S1853 C1860 L1956S1853-P1856 WeakPolarHBondContact O-CD 3.49Å; P1856-C1860 WeakPolarHBondContact O-CB 3.3Å; P1856-C1860 PolarHBondContact O-N 3.29Å; P1856-L1956 HydrophobicContact CB-CD2 4.05Å
1857L78.9Confident63.9Low0 Ų077.4 Ų77.40%042%0.421CS..Hα-helixtrans-77.9-37.7179-55.8-176.5000112A1854 R1859 C1860 L1943 W1946 L1956 C1959 A1960 L1963A1854-L1857 CarbonylContact O-C 3.6Å; A1854-L1857 PolarHBondContact O-N 2.66Å; L1857-R1859 VanDerWaalsContact C-N 3.25Å; L1857-R1859 PolarHBondContact O-N 3.1Å; L1857-C1860 CarbonylContact O-C 3.54Å; L1857-C1860 WeakPolarHBondContact O-CA 3.12Å; L1857-C1860 PolarHBondContact O-N 3.35Å; L1857-C1860 VanDerWaalsContact O-N 3.08Å; L1857-L1943 HydrophobicContact CD1-CD2 4.34Å; L1857-W1946 HydrophobicContact CB-CE3 4.27Å; L1857-W1946 HydrophobicContact CB-CH2 3.77Å; L1857-W1946 HydrophobicContact CB-CZ2 4.2Å; L1857-W1946 HydrophobicContact CB-CZ3 3.82Å; L1857-W1946 HydrophobicContact CD1-CD2 4.37Å; L1857-W1946 HydrophobicContact CD1-CE3 3.58Å; L1857-W1946 HydrophobicContact CD1-CH2 4.43Å; L1857-W1946 HydrophobicContact CD1-CZ3 3.63Å; L1857-W1946 HydrophobicContact CD2-CD2 4.39Å; L1857-W1946 HydrophobicContact CD2-CE3 4.39Å; L1857-W1946 HydrophobicContact CG-CE3 4.29Å; L1857-W1946 HydrophobicContact CG-CZ3 4.26Å; L1857-L1956 HydrophobicContact CD2-CB 4.45Å; L1857-L1956 HydrophobicContact CD2-CD2 3.9Å; L1857-C1959 HydrophobicContact CD2-CB 4.39Å; L1857-C1959 HydrophobicContact CG-CB 4.3Å; L1857-A1960 HydrophobicContact CD1-CB 3.97Å; L1857-A1960 HydrophobicContact CD2-CB 4.45Å; L1857-L1963 HydrophobicContact CD1-CD1 3.59Å
1858L69.1Low61Low47 Ų4779.9 Ų79.925%0.24644%0.437CS..Hα-helixtrans-59.4-36170.6-73.7165.1000112.1C1849 A1854 L1916 V1917C1849-L1858 HydrophobicContact CB-CD1 4.29Å; A1854-L1858 HydrophobicContact CB-CD1 3.96Å; A1854-L1858 HydrophobicContact CB-CG 4.4Å; A1854-L1858 WeakPolarHBondContact O-CG 3.46Å; A1854-L1858 PolarHBondContact O-N 3.18Å; L1858-L1916 HydrophobicContact CD2-CB 3.64Å; L1858-L1916 HydrophobicContact CD2-CD1 4.16Å; L1858-L1916 HydrophobicContact CG-CD1 4.21Å; L1858-V1917 HydrophobicContact CD2-CG2 3.72Å
1859R60.9Low58.4Low230 Ų23086 Ų8687%0.86847%0.47SS*.Hα-helixtrans-82.8-22.3174.6-152.5175.7-167171.75.2112.7R1855 L1857 G1861R1855-R1859 PolarHBondContact O-N 3.09Å; L1857-R1859 VanDerWaalsContact C-N 3.25Å; L1857-R1859 PolarHBondContact O-N 3.1Å; R1859-G1861 PolarHBondContact O-N 2.66Å
1860C57Low55.9Low35 Ų3594 Ų9424%0.23651%0.505CS..  trans-87.857.3168.7-163.30000110.4P1856 L1857 L1862 L1956P1856-C1860 WeakPolarHBondContact O-CB 3.3Å; P1856-C1860 PolarHBondContact O-N 3.29Å; L1857-C1860 CarbonylContact O-C 3.54Å; L1857-C1860 WeakPolarHBondContact O-CA 3.12Å; L1857-C1860 PolarHBondContact O-N 3.35Å; L1857-C1860 VanDerWaalsContact O-N 3.08Å; C1860-L1862 PolarHBondContact O-N 3.28Å; C1860-L1956 HydrophobicContact CB-CD2 3.87Å
1861G46.8Very low53.2Low28 Ų2897 Ų9729%0.28952%0.516SS..  trans-51.7142.415400000108.3R1859 G1863 D1915R1859-G1861 PolarHBondContact O-N 2.66Å; G1861-G1863 PolarHBondContact O-N 2.85Å; G1861-D1915 WeakPolarHBondContact CA-OD2 3.5Å
1862L41.4Very low50.3Low58 Ų58101 Ų10130%0.30454%0.538SS..  trans-70.363.1177.8-77.5168.9000111C1860 R1864 L1914C1860-L1862 PolarHBondContact O-N 3.28Å; L1862-R1864 PolarHBondContact O-N 3Å; L1862-L1914 HydrophobicContact CB-CB 4.32Å; L1862-L1914 HydrophobicContact CB-CD2 4.22Å; L1862-L1914 HydrophobicContact CD1-CB 4.36Å; L1862-L1914 HydrophobicContact CD1-CD2 3.73Å; L1862-L1914 WeakPolarHBondContact CD1-O 3.46Å
1863G34Very low47.6Very low71 Ų71105.9 Ų105.973%0.73255%0.55SS**  trans-75.154179.200000112.4G1861G1861-G1863 PolarHBondContact O-N 2.85Å
1864R31.8Very low44.8Very low222 Ų222110 Ų11084%0.83859%0.585SS**SBendtrans-165.285.8168-102.5155.1-164.3-151.52.4109.4L1862 L1866L1862-R1864 PolarHBondContact O-N 3Å; R1864-L1866 PolarHBondContact O-N 2.98Å; R1864-L1866 VanDerWaalsContact O-N 3.14Å
1865T32.9Very low41.9Very low140 Ų140118.2 Ų118.286%0.85963%0.629SS**  trans21.380.1148.352.80000117.2
1866L26.3Very low39.2Very low129 Ų129113.5 Ų113.568%0.67564%0.637SS**  trans-116.288.6152.9-79174.9000108.6R1864 L1868R1864-L1866 PolarHBondContact O-N 2.98Å; R1864-L1866 VanDerWaalsContact O-N 3.14Å; L1866-L1868 VanDerWaalsContact C-N 3.31Å; L1866-L1868 PolarHBondContact O-N 3.42Å; L1866-L1868 VanDerWaalsContact O-N 3.09Å
1867A27.8Very low36.8Very low100 Ų100117.4 Ų117.483%0.82666%0.664SS**  trans-78.683.2168.800000108.8N1869A1867-N1869 PolarHBondContact O-N 3.46Å; A1867-N1869 VanDerWaalsContact O-N 3.14Å
1868L25Very low34.2Very low151 Ų151121.7 Ų121.779%0.79170%0.695SS**  trans-88.144.7-175.3-136.6171.4000111.7L1866L1866-L1868 VanDerWaalsContact C-N 3.31Å; L1866-L1868 PolarHBondContact O-N 3.42Å; L1866-L1868 VanDerWaalsContact O-N 3.09Å
1869N28.8Very low32.3Very low132 Ų132126.6 Ų126.671%0.70672%0.721SS**  trans-1261.7-167-110.2-2000115.8A1867A1867-N1869 PolarHBondContact O-N 3.46Å; A1867-N1869 VanDerWaalsContact O-N 3.14Å
1870E30.5Very low30.6Very low191 Ų191123 Ų12389%0.89372%0.719SS**SBendtrans-118.442.4-177.5-68.6-174.4164.900113.5
1871L26Very low29Very low162 Ų162126.1 Ų126.185%0.84874%0.741SS**SBendtrans-116.55.3167.4-14974000114.1
1872N25.6Very low27.8Very low114 Ų114134.2 Ų134.261%0.6177%0.769SS**SBendtrans-110.821-177.7-77.436000114.2
1873Q27.2Very low26.9Very low196 Ų196137 Ų13792%0.91679%0.788SS**SBendtrans-141.856.2171.8-69.4-1666.200112.8
1874A25.5Very low26.4Very low93 Ų93139.4 Ų139.477%0.76979%0.788SS**  trans-150.755.4166.300000111.2
1875N24.3Very low26Very low173 Ų173136.5 Ų136.593%0.92579%0.789SS**  trans-146106.9161.1-102.5-15.8000107.3
1876G26.3Very low25.4Very low82 Ų82134.6 Ų134.685%0.84579%0.787SS**  trans173.9112.1-172.100000107.5
1877S26.2Very low25.2Very low111 Ų111136.2 Ų136.278%0.77680%0.796SS**  trans-95.7172.5-151.256.30000115.6
1878S24.7Very low24.9Very low91 Ų91136 Ų13664%0.63679%0.788SS**  trans77.9132.913651.70000121.1
1879D28.9Very low24.7Very low149 Ų149136.2 Ų136.280%0.79779%0.785SS**  trans87.970.8146.5-53.7-9.4000120.4
1880D25.4Very low24.4Very low154 Ų154140.8 Ų140.882%0.82479%0.793SS**  44.1146.8115-99.5-26000125
1881S24Very low24.3Very low101 Ų101136.5 Ų136.571%0.70678%0.782SS**  trans88.777.4153.574.30000121.6
1882F21.4Very low24.1Very low199 Ų199140.5 Ų140.587%0.87379%0.785SS**  85.7136.2116-100.7-107.6000123.9
1883V22.6Very low23.9Very low116 Ų116139.5 Ų139.570%0.70379%0.793SS**  trans67.375.2165.1-155.20000119.8
1884V22.3Very low23.7Very low121 Ų121134.5 Ų134.573%0.73378%0.78SS**  30.9101.6112.3-171.10000117.3
1885N23.2Very low23.7Very low162 Ų162138.4 Ų138.487%0.86678%0.781SS**  -165.9143.9118.9-102.4-47.1000112.5
1886A21.7Very low23.5Very low99 Ų99140 Ų14082%0.81878%0.775SS**  trans-90120.5-166.800000113.9
1887L21.3Very low23.3Very low164 Ų164141.9 Ų141.986%0.85977%0.77SS**  trans-125.4121.1158.1-68.4172.1000106.3
1888S21.4Very low23.1Very low94 Ų94147.9 Ų147.966%0.65778%0.775SS**  66.7107.385.8-153.90000114.2
1889E20.4Very low22.9Very low156 Ų156148.4 Ų148.473%0.72978%0.779SS**  trans60.3110.5145.3-61.5-176.2136.500121.8
1890R23.4Very low22.6Very low228 Ų228147.4 Ų147.486%0.8678%0.778SS**  59.2168.7126.4-69.8-179.7171178.4-0.7119.6
1891P28.9Very low22.5Very low102 Ų102147.3 Ų147.366%0.66278%0.783SS**  cis-133.3173.3-48.539.6-24.8000112.9
1892R21Very low22.4Very low246 Ų246148.4 Ų148.493%0.92879%0.791SS**  trans51.7116.4156.6-68.4174.9179.2158.2-1.6119.6
1893A22.5Very low22.4Very low93 Ų93141.9 Ų141.977%0.76978%0.78SS**  -165.2110.4129.400000114.2
1894S22.7Very low22.4Very low91 Ų91145.8 Ų145.864%0.63679%0.79SS**  48.7135.2127.278.70000125.2
1895H24.1Very low22.7Very low174 Ų174145.5 Ų145.581%0.80679%0.794SS**  trans72160.5142.7-58.4-36.5000120.1
1896R20.4Very low23Very low208 Ų208143.2 Ų143.279%0.78579%0.79SS**  cis-172.3127.8-38.8-163.7-176.1-176.8175.3-0.2108.2
1897T22.8Very low23.8Very low120 Ų120144.8 Ų144.874%0.73678%0.781SS**  trans46.2127.3154.856.30000122.1
1898R22.5Very low24.9Very low238 Ų238142.1 Ų142.190%0.89877%0.767SS**  159.1156.192.4-168.8166.9-176178.41.1114.1
1899S20.5Very low26.5Very low101 Ų101147.2 Ų147.271%0.70677%0.772SS**  trans77.7123.8171.174.30000115.9
1900T21.8Very low28.9Very low129 Ų129144.2 Ų144.279%0.79176%0.757SS**  cis91.886.727.472.30000116.2
1901T23.5Very low31.4Very low151 Ų151137 Ų13793%0.92674%0.735SS**  trans-139.1165.7140.1440000108.7
1902S22.6Very low33.7Very low124 Ų124136.3 Ų136.387%0.86772%0.72SS**  trans-125.8154.8-152.352.20000114.4
1903G21.1Very low36.5Very low63 Ų63124.9 Ų124.965%0.64968%0.678SS**  trans147.5116.4150.200000117.3
1904H23.5Very low38.9Very low197 Ų197125.6 Ų125.691%0.91267%0.668SS**  trans60.880.1154.1-56-72.6000119.6
1905S26.9Very low41.8Very low115 Ų115122.9 Ų122.980%0.80465%0.647SS**  trans-83.6120.1160.255.10000112.1
1906S30.5Very low44.6Very low114 Ų114114.8 Ų114.880%0.79761%0.609SS**  trans-73.2128.3162.3167.10000109.8D1908S1906-D1908 PolarHBondContact O-N 3.04Å
1907E38.9Very low47.6Very low133 Ų133107.8 Ų107.862%0.62159%0.59SS**  trans-72.8116-175.1-64.6-163.6155.300114R1909 Q1930E1907-R1909 PolarHBondContact O-N 3.33Å; E1907-R1909 VanDerWaalsContact O-N 3.13Å; E1907-Q1930 VanDerWaalsContact CD-NE2 3.26Å; E1907-Q1930 PolarHBondContact OE1-NE2 2.88Å; E1907-Q1930 PolarHBondContact OE2-NE2 3.36Å
1908D44.6Very low50.6Low107 Ų107103.1 Ų103.157%0.57257%0.565SS**  trans-64103.1173.9-101.3-4.6000112.1S1906 K1910S1906-D1908 PolarHBondContact O-N 3.04Å; D1908-K1910 VanDerWaalsContact C-N 3.26Å; D1908-K1910 PolarHBondContact O-N 2.97Å
1909R54.3Low53.6Low201 Ų20191.8 Ų91.876%0.75852%0.522SS*.  trans-7571.1175-68.6-174.5176.9176.30.3112.5E1907E1907-R1909 PolarHBondContact O-N 3.33Å; E1907-R1909 VanDerWaalsContact O-N 3.13Å
1910K70.3Confident56.7Low93 Ų9390.5 Ų90.540%0.40451%0.505SS..  trans-73148.8174.8-76.5-178.9178.2177.70112.6D1908 Y1912 Q1938D1908-K1910 VanDerWaalsContact C-N 3.26Å; D1908-K1910 PolarHBondContact O-N 2.97Å; K1910-Y1912 HydrophobicContact CB-CE1 4.23Å; K1910-Q1938 PolarHBondContact O-NE2 3.22Å; K1910-Q1938 PolarHBondContact O-OE1 3.48Å
1911L75.3Confident59.8Low77 Ų7788.9 Ų88.940%0.40349%0.489SS..  trans-83.5117.8169.2-107.1156.1000109.2A1913 L1941 L1942 H1945L1911-A1913 WeakPolarHBondContact CD2-O 3.47Å; L1911-L1941 HydrophobicContact CD1-CB 3.93Å; L1911-L1941 HydrophobicContact CD2-CB 3.86Å; L1911-L1941 HydrophobicContact CG-CB 3.65Å; L1911-L1941 HydrophobicContact CG-CD1 4.33Å; L1911-L1942 HydrophobicContact CD2-CB 4.39Å; L1911-L1942 HydrophobicContact CD2-CG 3.83Å; L1911-H1945 HydrophobicContact CD1-CB 4.38Å
1912Y78.7Confident62.7Low87 Ų8783.4 Ų83.434%0.34145%0.453SS..  trans-89.3-19.8-179.4-59.5-60.7000113.3K1910 I1922 P1929 Q1938K1910-Y1912 HydrophobicContact CB-CE1 4.23Å; Y1912-I1922 WeakPolarHBondContact O-CD1 3.22Å; Y1912-P1929 HydrophobicContact CD1-CG 4.43Å; Y1912-P1929 HydrophobicContact CD2-CG 4.34Å; Y1912-P1929 HydrophobicContact CE1-CG 3.75Å; Y1912-P1929 HydrophobicContact CE2-CG 3.65Å; Y1912-P1929 WeakPolarHBondContact OH-CG 3.5Å; Y1912-Q1938 HydrophobicContact CD2-CG 3.99Å; Y1912-Q1938 VanDerWaalsContact CD2-NE2 3.28Å
1913A78.5Confident65.8Low7 Ų777.6 Ų77.66%0.05841%0.412CS..  trans-129.4144.3-177.500000112.6L1911 L1919 I1922 L1942L1911-A1913 WeakPolarHBondContact CD2-O 3.47Å; A1913-L1919 HydrophobicContact CB-CB 3.57Å; A1913-L1919 HydrophobicContact CB-CD1 3.98Å; A1913-L1919 HydrophobicContact CB-CG 4.35Å; A1913-L1919 VanDerWaalsContact CB-N 3.32Å; A1913-I1922 HydrophobicContact CB-CD1 4.27Å; A1913-L1942 HydrophobicContact CB-CD1 4.18Å
1914L73.9Confident68.8Low107 Ų10777.6 Ų77.656%0.5641%0.406SS*.SBendtrans-92.8-14.3179.5-74.9167.1000113.7L1862L1862-L1914 HydrophobicContact CB-CB 4.32Å; L1862-L1914 HydrophobicContact CB-CD2 4.22Å; L1862-L1914 HydrophobicContact CD1-CB 4.36Å; L1862-L1914 HydrophobicContact CD1-CD2 3.73Å; L1862-L1914 WeakPolarHBondContact CD1-O 3.46Å
1915D82.4Confident71.7Confident35 Ų3575.3 Ų75.319%0.18739%0.39CS..SBendtrans-153.9177.7172.858.136.6000110.8G1861 V1917 G1918 L1919 W1946G1861-D1915 WeakPolarHBondContact CA-OD2 3.5Å; D1915-V1917 VanDerWaalsContact C-N 3.26Å; D1915-V1917 PolarHBondContact O-N 3.21Å; D1915-V1917 PolarHBondContact OD1-N 3.28Å; D1915-V1917 VanDerWaalsContact OD1-N 3.07Å; D1915-G1918 PolarHBondContact OD1-N 3.38Å; D1915-L1919 PolarHBondContact O-N 3.49Å; D1915-L1919 VanDerWaalsContact O-N 3.11Å; D1915-W1946 HydrophobicContact CB-CZ2 4.25Å
1916L83.9Confident74.2Confident3 Ų372.3 Ų72.32%0.01638%0.377CS..Hα-helixtrans-63.8-29.7178.9-76.8162.2000112.9L1845 A1854 L1858 Q1920 L1939 W1946 L1963L1845-L1916 HydrophobicContact CD2-CD2 3.98Å; A1854-L1916 HydrophobicContact CB-CD1 4.38Å; L1858-L1916 HydrophobicContact CD2-CB 3.64Å; L1858-L1916 HydrophobicContact CD2-CD1 4.16Å; L1858-L1916 HydrophobicContact CG-CD1 4.21Å; L1916-Q1920 WeakPolarHBondContact O-CB 3.43Å; L1916-Q1920 PolarHBondContact O-N 2.95Å; L1916-L1939 HydrophobicContact CD2-CD2 3.33Å; L1916-W1946 HydrophobicContact CD1-CH2 4.08Å; L1916-W1946 HydrophobicContact CD1-CZ3 4.21Å; L1916-W1946 HydrophobicContact CG-CH2 3.88Å; L1916-W1946 HydrophobicContact CG-CZ3 4.19Å; L1916-L1963 HydrophobicContact CD1-CD1 4.32Å
1917V84.3Confident76.6Confident62 Ų6272.5 Ų72.538%0.37637%0.365SS..Hα-helixtrans-74.1-46.8-178.6-176.60000109.9L1858 D1915 L1919 Q1920 E1921L1858-V1917 HydrophobicContact CD2-CG2 3.72Å; D1915-V1917 VanDerWaalsContact C-N 3.26Å; D1915-V1917 PolarHBondContact O-N 3.21Å; D1915-V1917 PolarHBondContact OD1-N 3.28Å; D1915-V1917 VanDerWaalsContact OD1-N 3.07Å; V1917-L1919 VanDerWaalsContact C-N 3.27Å; V1917-L1919 PolarHBondContact O-N 3.46Å; V1917-Q1920 CarbonylContact O-C 3.52Å; V1917-Q1920 WeakPolarHBondContact O-CB 3.46Å; V1917-Q1920 PolarHBondContact O-N 3.42Å; V1917-Q1920 VanDerWaalsContact O-N 3.15Å; V1917-E1921 PolarHBondContact O-N 3.09Å
1918G84.2Confident78.6Confident21 Ų2166.6 Ų66.622%0.21634%0.338CS..Hα-helixtrans-60.9-35.8173.300000112.4D1915 E1921 I1922D1915-G1918 PolarHBondContact OD1-N 3.38Å; G1918-E1921 PolarHBondContact O-N 3.24Å; G1918-I1922 VanDerWaalsContact O-CG1 3.25Å; G1918-I1922 WeakPolarHBondContact O-CG1 3.44Å; G1918-I1922 PolarHBondContact O-N 3.06Å
1919L86.3Confident79.8Confident0 Ų065.4 Ų65.40%034%0.336CS..Hα-helixtrans-68.9-39.4174.6-169.761.1000111.7L1845 A1913 D1915 V1917 L1923 L1928 Q1938 L1939 L1942L1845-L1919 HydrophobicContact CD1-CD2 4.22Å; L1845-L1919 HydrophobicContact CD1-CG 4.04Å; L1845-L1919 HydrophobicContact CD2-CD2 4.46Å; A1913-L1919 HydrophobicContact CB-CB 3.57Å; A1913-L1919 HydrophobicContact CB-CD1 3.98Å; A1913-L1919 HydrophobicContact CB-CG 4.35Å; A1913-L1919 VanDerWaalsContact CB-N 3.32Å; D1915-L1919 PolarHBondContact O-N 3.49Å; D1915-L1919 VanDerWaalsContact O-N 3.11Å; V1917-L1919 VanDerWaalsContact C-N 3.27Å; V1917-L1919 PolarHBondContact O-N 3.46Å; L1919-L1923 WeakPolarHBondContact O-CB 3.49Å; L1919-L1923 PolarHBondContact O-N 3.2Å; L1919-L1928 HydrophobicContact CD1-CD1 4.42Å; L1919-L1928 HydrophobicContact CD1-CD2 4.3Å; L1919-Q1938 HydrophobicContact CD1-CB 3.57Å; L1919-Q1938 HydrophobicContact CD1-CG 4.08Å; L1919-Q1938 HydrophobicContact CD2-CB 3.89Å; L1919-Q1938 HydrophobicContact CG-CB 4.41Å; L1919-L1939 HydrophobicContact CD2-CD2 4.26Å; L1919-L1939 HydrophobicContact CD2-CG 3.81Å; L1919-L1942 HydrophobicContact CB-CD1 4.37Å; L1919-L1942 HydrophobicContact CD2-CD1 4.25Å
1920Q86.2Confident80.8Confident74 Ų7460.2 Ų60.235%0.34632%0.321SS..Hα-helixtrans-65.4-36173.9-172.8177.40.200112L1916 V1917 A1924L1916-Q1920 WeakPolarHBondContact O-CB 3.43Å; L1916-Q1920 PolarHBondContact O-N 2.95Å; V1917-Q1920 CarbonylContact O-C 3.52Å; V1917-Q1920 WeakPolarHBondContact O-CB 3.46Å; V1917-Q1920 PolarHBondContact O-N 3.42Å; V1917-Q1920 VanDerWaalsContact O-N 3.15Å; Q1920-A1924 VanDerWaalsContact O-CB 3.25Å; Q1920-A1924 WeakPolarHBondContact O-CB 3.36Å; Q1920-A1924 PolarHBondContact O-N 3.28Å
1921E85.6Confident81.3Confident96 Ų9657.1 Ų57.145%0.44932%0.315SS..Hα-helixtrans-68.7-48.1174-78.9-166.4-147.800112.8V1917 G1918 L1923 A1924 R1925V1917-E1921 PolarHBondContact O-N 3.09Å; G1918-E1921 PolarHBondContact O-N 3.24Å; E1921-L1923 VanDerWaalsContact C-N 3.27Å; E1921-L1923 PolarHBondContact O-N 3.41Å; E1921-A1924 PolarHBondContact O-N 3.44Å; E1921-R1925 VanDerWaalsContact O-CG 3.28Å; E1921-R1925 WeakPolarHBondContact O-CG 3.32Å; E1921-R1925 PolarHBondContact O-N 3.26Å; E1921-R1925 VanDerWaalsContact O-N 3.08Å; E1921-R1925 IonicContact OE2-CZ 2.69Å; E1921-R1925 IonicContact OE2-NH2 3.33Å; E1921-R1925 PolarHBondContact OE2-NH2 2.88Å
1922I85.6Confident81.6Confident36 Ų3655.1 Ų55.119%0.18531%0.306CS..Hα-helixtrans-64.4-37.2179.1-63.9165.8000110.1Y1912 A1913 G1918 G1926 E1927 L1928Y1912-I1922 WeakPolarHBondContact O-CD1 3.22Å; A1913-I1922 HydrophobicContact CB-CD1 4.27Å; G1918-I1922 VanDerWaalsContact O-CG1 3.25Å; G1918-I1922 WeakPolarHBondContact O-CG1 3.44Å; G1918-I1922 PolarHBondContact O-N 3.06Å; I1922-G1926 PolarHBondContact O-N 3.42Å; I1922-E1927 HydrophobicContact CG2-CB 4.03Å; I1922-E1927 PolarHBondContact O-N 3.41Å; I1922-L1928 HydrophobicContact CB-CD1 4.31Å; I1922-L1928 HydrophobicContact CG2-CD1 3.8Å; I1922-L1928 HydrophobicContact CG2-CG 3.97Å
1923L86.1Confident81.7Confident1 Ų152.8 Ų52.81%0.00531%0.309CS..Hα-helixtrans-57.9-59169174.782000110.9Q1838 A1841 E1842 L1845 L1919 E1921 R1925 G1926 L1928 P1932 V1935Q1838-L1923 PolarHBondContact NE2-O 3.31Å; A1841-L1923 HydrophobicContact CB-CD1 3.56Å; A1841-L1923 HydrophobicContact CB-CD2 4.33Å; E1842-L1923 HydrophobicContact CB-CD2 4.11Å; E1842-L1923 HydrophobicContact CG-CD2 3.44Å; E1842-L1923 VanDerWaalsContact CG-CD2 3.44Å; E1842-L1923 HydrophobicContact CG-CG 4.03Å; L1845-L1923 HydrophobicContact CB-CD2 4.45Å; L1845-L1923 HydrophobicContact CD1-CB 4.44Å; L1845-L1923 HydrophobicContact CD1-CD2 3.9Å; L1919-L1923 WeakPolarHBondContact O-CB 3.49Å; L1919-L1923 PolarHBondContact O-N 3.2Å; E1921-L1923 VanDerWaalsContact C-N 3.27Å; E1921-L1923 PolarHBondContact O-N 3.41Å; L1923-R1925 PolarHBondContact O-N 3.1Å; L1923-R1925 VanDerWaalsContact O-N 3.08Å; L1923-G1926 WeakPolarHBondContact O-CA 3Å; L1923-G1926 PolarHBondContact O-N 2.82Å; L1923-L1928 HydrophobicContact CB-CD1 4.03Å; L1923-P1932 HydrophobicContact CD1-CB 4.14Å; L1923-V1935 HydrophobicContact CD1-CG2 3.45Å; L1923-V1935 VanDerWaalsContact CD1-CG2 3.45Å
1924A84.5Confident82Confident63 Ų6354.1 Ų54.152%0.52131%0.314SS..Hα-helixtrans-62.7-19.1-172.500000113.7Q1920 E1921Q1920-A1924 VanDerWaalsContact O-CB 3.25Å; Q1920-A1924 WeakPolarHBondContact O-CB 3.36Å; Q1920-A1924 PolarHBondContact O-N 3.28Å; E1921-A1924 PolarHBondContact O-N 3.44Å
1925R84.4Confident82.7Confident150 Ų15049 Ų4957%0.56629%0.287SS*.THydrogen-bonded Turntrans-85.3-10.9171.6-64.4172.2-165-165.18.6114E1921 L1923 E1927E1921-R1925 VanDerWaalsContact O-CG 3.28Å; E1921-R1925 WeakPolarHBondContact O-CG 3.32Å; E1921-R1925 PolarHBondContact O-N 3.26Å; E1921-R1925 VanDerWaalsContact O-N 3.08Å; E1921-R1925 IonicContact OE2-CZ 2.69Å; E1921-R1925 IonicContact OE2-NH2 3.33Å; E1921-R1925 PolarHBondContact OE2-NH2 2.88Å; L1923-R1925 PolarHBondContact O-N 3.1Å; L1923-R1925 VanDerWaalsContact O-N 3.08Å; R1925-E1927 VanDerWaalsContact C-N 3.26Å; R1925-E1927 HydrophobicContact CB-CB 4.17Å; R1925-E1927 HydrophobicContact CB-CG 3.71Å; R1925-E1927 WeakPolarHBondContact CD-OE2 3.35Å; R1925-E1927 IonicContact NH1-OE2 3.57Å
1926G80.8Confident82.9Confident52 Ų5248.6 Ų48.654%0.53629%0.285SS..THydrogen-bonded Turntrans71.318.8-170.600000113.6I1922 L1923I1922-G1926 PolarHBondContact O-N 3.42Å; L1923-G1926 WeakPolarHBondContact O-CA 3Å; L1923-G1926 PolarHBondContact O-N 2.82Å
1927E80.8Confident83.1Confident118 Ų11850 Ų5055%0.55130%0.295SS*.  trans-91.94.2-169.3-74.6177.2168.400114I1922 R1925 P1929I1922-E1927 HydrophobicContact CG2-CB 4.03Å; I1922-E1927 PolarHBondContact O-N 3.41Å; R1925-E1927 VanDerWaalsContact C-N 3.26Å; R1925-E1927 HydrophobicContact CB-CB 4.17Å; R1925-E1927 HydrophobicContact CB-CG 3.71Å; R1925-E1927 WeakPolarHBondContact CD-OE2 3.35Å; R1925-E1927 IonicContact NH1-OE2 3.57Å; E1927-P1929 WeakPolarHBondContact O-CD 3.43Å
1928L79.9Confident83.3Confident8 Ų847.1 Ų47.14%0.04228%0.277CS..  trans-68.4121.6169.8-88.1104.3000109.8L1919 I1922 L1923 Q1930 G1931 Q1934 V1935 Q1938L1919-L1928 HydrophobicContact CD1-CD1 4.42Å; L1919-L1928 HydrophobicContact CD1-CD2 4.3Å; I1922-L1928 HydrophobicContact CB-CD1 4.31Å; I1922-L1928 HydrophobicContact CG2-CD1 3.8Å; I1922-L1928 HydrophobicContact CG2-CG 3.97Å; L1923-L1928 HydrophobicContact CB-CD1 4.03Å; L1928-Q1930 PolarHBondContact O-N 3.13Å; L1928-G1931 PolarHBondContact O-N 3.15Å; L1928-Q1934 HydrophobicContact CD2-CB 3.81Å; L1928-Q1934 HydrophobicContact CD2-CG 4.31Å; L1928-V1935 HydrophobicContact CD1-CG2 4.26Å; L1928-V1935 HydrophobicContact CD2-CG2 4.23Å; L1928-Q1938 HydrophobicContact CD2-CG 3.8Å
1929P70.4Confident83.5Confident83 Ų8346.3 Ų46.354%0.53927%0.268SS..THydrogen-bonded Turntrans-71.6-6.9-16626.2-35.4000116Y1912 E1927Y1912-P1929 HydrophobicContact CD1-CG 4.43Å; Y1912-P1929 HydrophobicContact CD2-CG 4.34Å; Y1912-P1929 HydrophobicContact CE1-CG 3.75Å; Y1912-P1929 HydrophobicContact CE2-CG 3.65Å; Y1912-P1929 WeakPolarHBondContact OH-CG 3.5Å; E1927-P1929 WeakPolarHBondContact O-CD 3.43Å
1930Q75.6Confident83.7Confident92 Ų9251.8 Ų51.843%0.4329%0.289SS..THydrogen-bonded Turntrans-118.420.7169.4-68.8-172-5.400111.9E1907 L1928 Q1934E1907-Q1930 VanDerWaalsContact CD-NE2 3.26Å; E1907-Q1930 PolarHBondContact OE1-NE2 2.88Å; E1907-Q1930 PolarHBondContact OE2-NE2 3.36Å; L1928-Q1930 PolarHBondContact O-N 3.13Å; Q1930-Q1934 HydrophobicContact CB-CB 4.28Å; Q1930-Q1934 HydrophobicContact CB-CG 4.15Å; Q1930-Q1934 VanDerWaalsContact OE1-CD 3.23Å
1931G80Confident83.9Confident27 Ų2750.1 Ų50.128%0.27828%0.282SS..  trans77.8-177.8178.800000115.1L1928 G1933 Q1934L1928-G1931 PolarHBondContact O-N 3.15Å; G1931-G1933 VanDerWaalsContact C-N 3.29Å; G1931-G1933 PolarHBondContact O-N 2.7Å; G1931-Q1934 VanDerWaalsContact O-CB 3.27Å; G1931-Q1934 WeakPolarHBondContact O-CB 3.43Å; G1931-Q1934 PolarHBondContact O-N 3.17Å; G1931-Q1934 VanDerWaalsContact O-N 3.12Å
1932P81.9Confident84Confident35 Ų3545.7 Ų45.723%0.22726%0.261CS..G310 helixtrans-64.9-24-173.423.1-33.3000114.6F1836 A1841 L1923 Q1934 V1935F1836-P1932 WeakPolarHBondContact O-CB 3.49Å; F1836-P1932 VanDerWaalsContact O-CG 3.26Å; F1836-P1932 WeakPolarHBondContact O-CG 3.35Å; A1841-P1932 HydrophobicContact CB-CB 3.7Å; L1923-P1932 HydrophobicContact CD1-CB 4.14Å; P1932-Q1934 PolarHBondContact O-N 3.42Å; P1932-Q1934 VanDerWaalsContact O-N 3.13Å; P1932-V1935 VanDerWaalsContact O-CB 3.26Å; P1932-V1935 WeakPolarHBondContact O-CB 3.33Å; P1932-V1935 WeakPolarHBondContact O-CG2 3.34Å; P1932-V1935 PolarHBondContact O-N 2.86Å; P1932-V1935 VanDerWaalsContact O-N 3.15Å
1933G80Confident84.2Confident39 Ų3944.2 Ų44.240%0.40225%0.254SS..G310 helixtrans-58.4-25.5172.500000113.8G1931 V1935G1931-G1933 VanDerWaalsContact C-N 3.29Å; G1931-G1933 PolarHBondContact O-N 2.7Å; G1933-V1935 PolarHBondContact O-N 2.82Å
1934Q84.9Confident84.2Confident34 Ų3446.4 Ų46.416%0.15927%0.269CS..G310 helixtrans-70.1-14.4-179.7-154.372-19.900113.7L1928 Q1930 G1931 P1932 I1936 S1937 Q1938L1928-Q1934 HydrophobicContact CD2-CB 3.81Å; L1928-Q1934 HydrophobicContact CD2-CG 4.31Å; Q1930-Q1934 HydrophobicContact CB-CB 4.28Å; Q1930-Q1934 HydrophobicContact CB-CG 4.15Å; Q1930-Q1934 VanDerWaalsContact OE1-CD 3.23Å; G1931-Q1934 VanDerWaalsContact O-CB 3.27Å; G1931-Q1934 WeakPolarHBondContact O-CB 3.43Å; G1931-Q1934 PolarHBondContact O-N 3.17Å; G1931-Q1934 VanDerWaalsContact O-N 3.12Å; P1932-Q1934 PolarHBondContact O-N 3.42Å; P1932-Q1934 VanDerWaalsContact O-N 3.13Å; Q1934-I1936 VanDerWaalsContact C-N 3.32Å; Q1934-I1936 PolarHBondContact O-N 2.85Å; Q1934-S1937 WeakPolarHBondContact O-CA 3.39Å; Q1934-S1937 VanDerWaalsContact O-CB 3.25Å; Q1934-S1937 WeakPolarHBondContact O-CB 3.44Å; Q1934-S1937 PolarHBondContact O-N 3Å; Q1934-Q1938 HydrophobicContact CG-CG 4.5Å; Q1934-Q1938 PolarHBondContact O-N 2.84Å
1935V88Confident84.3Confident0 Ų046 Ų460%026%0.256CS..Hα-helixtrans-58.2-41.4-177168.70000112.6A1841 L1845 L1923 L1928 P1932 G1933 S1937 Q1938 L1939A1841-V1935 HydrophobicContact CB-CG2 4.42Å; L1845-V1935 HydrophobicContact CD1-CG1 3.48Å; L1845-V1935 VanDerWaalsContact CD1-CG1 3.48Å; L1845-V1935 HydrophobicContact CG-CG1 3.86Å; L1923-V1935 HydrophobicContact CD1-CG2 3.45Å; L1923-V1935 VanDerWaalsContact CD1-CG2 3.45Å; L1928-V1935 HydrophobicContact CD1-CG2 4.26Å; L1928-V1935 HydrophobicContact CD2-CG2 4.23Å; P1932-V1935 VanDerWaalsContact O-CB 3.26Å; P1932-V1935 WeakPolarHBondContact O-CB 3.33Å; P1932-V1935 WeakPolarHBondContact O-CG2 3.34Å; P1932-V1935 PolarHBondContact O-N 2.86Å; P1932-V1935 VanDerWaalsContact O-N 3.15Å; G1933-V1935 PolarHBondContact O-N 2.82Å; V1935-S1937 VanDerWaalsContact C-N 3.28Å; V1935-S1937 PolarHBondContact O-N 2.82Å; V1935-Q1938 PolarHBondContact O-N 2.89Å; V1935-L1939 HydrophobicContact CG1-CD1 3.99Å; V1935-L1939 WeakPolarHBondContact O-CB 3.49Å; V1935-L1939 PolarHBondContact O-N 2.83Å
1936I87.5Confident84.3Confident26 Ų2638.9 Ų38.913%0.13323%0.23CC..Hα-helixtrans-65.9-36.2178.5-62.7160.4000110.4F1836 F1844 Q1934 R1940 L1971F1836-I1936 HydrophobicContact CD2-CD1 4.45Å; F1836-I1936 HydrophobicContact CE1-CD1 4.47Å; F1836-I1936 HydrophobicContact CE2-CD1 4.27Å; F1836-I1936 HydrophobicContact CZ-CD1 4.29Å; F1844-I1936 HydrophobicContact CE1-CG1 4.34Å; Q1934-I1936 VanDerWaalsContact C-N 3.32Å; Q1934-I1936 PolarHBondContact O-N 2.85Å; I1936-R1940 WeakPolarHBondContact O-CB 3.45Å; I1936-R1940 VanDerWaalsContact O-CG 3.29Å; I1936-R1940 WeakPolarHBondContact O-CG 3.41Å; I1936-R1940 PolarHBondContact O-N 3.48Å; I1936-L1971 HydrophobicContact CD1-CD2 3.57Å; I1936-L1971 HydrophobicContact CG1-CD2 4.06Å; I1936-L1971 HydrophobicContact CG2-CD1 3.73Å
1937S87.3Confident84.7Confident33 Ų3338.3 Ų38.323%0.23121%0.214CC..Hα-helixtrans-65.8-47174.6-165.70000110.9Q1934 V1935 R1940 L1941Q1934-S1937 WeakPolarHBondContact O-CA 3.39Å; Q1934-S1937 VanDerWaalsContact O-CB 3.25Å; Q1934-S1937 WeakPolarHBondContact O-CB 3.44Å; Q1934-S1937 PolarHBondContact O-N 3Å; V1935-S1937 VanDerWaalsContact C-N 3.28Å; V1935-S1937 PolarHBondContact O-N 2.82Å; S1937-R1940 PolarHBondContact O-N 2.82Å; S1937-L1941 WeakPolarHBondContact O-CG 3.46Å; S1937-L1941 PolarHBondContact O-N 3.26Å
1938Q89.1Confident84.8Confident2 Ų243.1 Ų43.11%0.00923%0.227CC..Hα-helixtrans-65.1-42.9177.7-67.3-59.1-48.400113.3K1910 Y1912 L1919 L1928 Q1934 V1935 R1940 L1941 L1942K1910-Q1938 PolarHBondContact O-NE2 3.22Å; K1910-Q1938 PolarHBondContact O-OE1 3.48Å; Y1912-Q1938 HydrophobicContact CD2-CG 3.99Å; Y1912-Q1938 VanDerWaalsContact CD2-NE2 3.28Å; L1919-Q1938 HydrophobicContact CD1-CB 3.57Å; L1919-Q1938 HydrophobicContact CD1-CG 4.08Å; L1919-Q1938 HydrophobicContact CD2-CB 3.89Å; L1919-Q1938 HydrophobicContact CG-CB 4.41Å; L1928-Q1938 HydrophobicContact CD2-CG 3.8Å; Q1934-Q1938 HydrophobicContact CG-CG 4.5Å; Q1934-Q1938 PolarHBondContact O-N 2.84Å; V1935-Q1938 PolarHBondContact O-N 2.89Å; Q1938-R1940 PolarHBondContact O-N 3.21Å; Q1938-L1941 PolarHBondContact O-N 2.93Å; Q1938-L1942 WeakPolarHBondContact O-CB 3.47Å; Q1938-L1942 PolarHBondContact O-N 2.81Å
1939L88.6Confident84.8Confident3 Ų345.8 Ų45.82%0.01625%0.247CC..Hα-helixtrans-57.8-45.8172.1-89.1167.5000111.9F1844 L1845 L1848 L1916 L1919 V1935 L1941 L1942 L1943 M1967F1844-L1939 HydrophobicContact CD1-CD1 4.22Å; F1844-L1939 HydrophobicContact CE1-CD1 3.8Å; L1845-L1939 HydrophobicContact CD2-CD1 4.07Å; L1845-L1939 HydrophobicContact CD2-CD2 4.01Å; L1845-L1939 HydrophobicContact CD2-CG 4.25Å; L1845-L1939 HydrophobicContact CG-CD1 4.3Å; L1848-L1939 HydrophobicContact CD1-CD1 3.62Å; L1848-L1939 HydrophobicContact CD1-CD2 4.35Å; L1916-L1939 HydrophobicContact CD2-CD2 3.33Å; L1919-L1939 HydrophobicContact CD2-CD2 4.26Å; L1919-L1939 HydrophobicContact CD2-CG 3.81Å; V1935-L1939 HydrophobicContact CG1-CD1 3.99Å; V1935-L1939 WeakPolarHBondContact O-CB 3.49Å; V1935-L1939 PolarHBondContact O-N 2.83Å; L1939-L1941 VanDerWaalsContact C-N 3.35Å; L1939-L1942 PolarHBondContact O-N 3.18Å; L1939-L1943 WeakPolarHBondContact O-CB 3.31Å; L1939-L1943 WeakPolarHBondContact O-CG 3.49Å; L1939-L1943 PolarHBondContact O-N 3.09Å; L1939-M1967 HydrophobicContact CB-SD 3.74Å; L1939-M1967 HydrophobicContact CD1-SD 4.06Å; L1939-M1967 HydrophobicContact CG-SD 4.41Å
1940R91.1Very high85.3Confident115 Ų11543.2 Ų43.243%0.43423%0.228SC..Hα-helixtrans-62.1-41.9176.1-79.2175.9172.5146.51111.6I1936 S1937 Q1938 S1944 M1967 N1968I1936-R1940 WeakPolarHBondContact O-CB 3.45Å; I1936-R1940 VanDerWaalsContact O-CG 3.29Å; I1936-R1940 WeakPolarHBondContact O-CG 3.41Å; I1936-R1940 PolarHBondContact O-N 3.48Å; S1937-R1940 PolarHBondContact O-N 2.82Å; Q1938-R1940 PolarHBondContact O-N 3.21Å; R1940-S1944 WeakPolarHBondContact O-CB 3.48Å; R1940-S1944 PolarHBondContact O-N 3.1Å; R1940-S1944 PolarHBondContact O-OG 2.95Å; R1940-M1967 HydrophobicContact CG-CE 3.62Å; R1940-N1968 PolarHBondContact NH2-OD1 3.2Å; R1940-N1968 VanDerWaalsContact NH2-OD1 3.15Å
1941L89.5Confident85.6Confident40 Ų4049.1 Ų49.121%0.20925%0.246CC..Hα-helixtrans-62.4-47.7174.9-69.5167.8000111.2L1911 S1937 Q1938 L1939 S1944 H1945L1911-L1941 HydrophobicContact CD1-CB 3.93Å; L1911-L1941 HydrophobicContact CD2-CB 3.86Å; L1911-L1941 HydrophobicContact CG-CB 3.65Å; L1911-L1941 HydrophobicContact CG-CD1 4.33Å; S1937-L1941 WeakPolarHBondContact O-CG 3.46Å; S1937-L1941 PolarHBondContact O-N 3.26Å; Q1938-L1941 PolarHBondContact O-N 2.93Å; L1939-L1941 VanDerWaalsContact C-N 3.35Å; L1941-S1944 PolarHBondContact O-N 3.39Å; L1941-S1944 PolarHBondContact O-OG 2.86Å; L1941-H1945 WeakPolarHBondContact O-CB 3.5Å; L1941-H1945 PolarHBondContact O-N 3.46Å
1942L88Confident85.9Confident2 Ų252 Ų521%0.0126%0.26CS..Hα-helixtrans-58.2-50.8177.1-106.7162.3000112.6L1911 A1913 L1919 Q1938 L1939 S1944 H1945 W1946L1911-L1942 HydrophobicContact CD2-CB 4.39Å; L1911-L1942 HydrophobicContact CD2-CG 3.83Å; A1913-L1942 HydrophobicContact CB-CD1 4.18Å; L1919-L1942 HydrophobicContact CB-CD1 4.37Å; L1919-L1942 HydrophobicContact CD2-CD1 4.25Å; Q1938-L1942 WeakPolarHBondContact O-CB 3.47Å; Q1938-L1942 PolarHBondContact O-N 2.81Å; L1939-L1942 PolarHBondContact O-N 3.18Å; L1942-S1944 PolarHBondContact O-N 3.12Å; L1942-H1945 WeakPolarHBondContact O-CB 3.46Å; L1942-H1945 PolarHBondContact O-N 2.96Å; L1942-W1946 HydrophobicContact CD2-CD2 4.34Å; L1942-W1946 HydrophobicContact CD2-CH2 4.01Å; L1942-W1946 HydrophobicContact CD2-CZ2 3.75Å; L1942-W1946 HydrophobicContact CD2-CZ3 4.37Å; L1942-W1946 PolarHBondContact O-N 3.07Å
1943L90.5Very high85.8Confident5 Ų553.7 Ų53.73%0.02628%0.284CS..Hα-helixtrans-64.4-40.3178-70.7162.6000111.5L1857 L1939 H1945 W1946 L1947 A1960 L1963 L1964 M1967L1857-L1943 HydrophobicContact CD1-CD2 4.34Å; L1939-L1943 WeakPolarHBondContact O-CB 3.31Å; L1939-L1943 WeakPolarHBondContact O-CG 3.49Å; L1939-L1943 PolarHBondContact O-N 3.09Å; L1943-H1945 VanDerWaalsContact C-N 3.3Å; L1943-H1945 PolarHBondContact O-N 3.01Å; L1943-W1946 HydrophobicContact CD2-CE3 4.06Å; L1943-W1946 HydrophobicContact CD2-CZ3 4.3Å; L1943-W1946 PolarHBondContact O-N 2.91Å; L1943-L1947 WeakPolarHBondContact O-CB 3.45Å; L1943-L1947 WeakPolarHBondContact O-CG 3.28Å; L1943-L1947 PolarHBondContact O-N 2.7Å; L1943-A1960 HydrophobicContact CD2-CB 4.4Å; L1943-L1963 HydrophobicContact CD2-CB 3.81Å; L1943-L1963 HydrophobicContact CD2-CD1 4.43Å; L1943-L1964 HydrophobicContact CD1-CB 4.27Å; L1943-L1964 HydrophobicContact CD1-CD1 4.28Å; L1943-M1967 HydrophobicContact CD1-CE 3.7Å; L1943-M1967 HydrophobicContact CD1-SD 4.07Å
1944S86Confident86.1Confident47 Ų4753.6 Ų53.633%0.32928%0.277SS..Hα-helixtrans-65.4-33.8174.979.90000112.6R1940 L1941 L1942 R1948R1940-S1944 WeakPolarHBondContact O-CB 3.48Å; R1940-S1944 PolarHBondContact O-N 3.1Å; R1940-S1944 PolarHBondContact O-OG 2.95Å; L1941-S1944 PolarHBondContact O-N 3.39Å; L1941-S1944 PolarHBondContact O-OG 2.86Å; L1942-S1944 PolarHBondContact O-N 3.12Å; S1944-R1948 WeakPolarHBondContact O-CB 3.37Å; S1944-R1948 VanDerWaalsContact O-CG 3.28Å; S1944-R1948 WeakPolarHBondContact O-CG 2.95Å; S1944-R1948 PolarHBondContact O-N 3.36Å; S1944-R1948 VanDerWaalsContact O-N 3.1Å
1945H85.1Confident86.1Confident55 Ų5561.5 Ų61.526%0.25531%0.306SS..Hα-helixtrans-68.2-47.2174179.3-95000110.7L1911 L1941 L1942 L1943 L1947 R1948 S1949L1911-H1945 HydrophobicContact CD1-CB 4.38Å; L1941-H1945 WeakPolarHBondContact O-CB 3.5Å; L1941-H1945 PolarHBondContact O-N 3.46Å; L1942-H1945 WeakPolarHBondContact O-CB 3.46Å; L1942-H1945 PolarHBondContact O-N 2.96Å; L1943-H1945 VanDerWaalsContact C-N 3.3Å; L1943-H1945 PolarHBondContact O-N 3.01Å; H1945-L1947 PolarHBondContact O-N 3.22Å; H1945-R1948 CarbonylContact O-C 3.44Å; H1945-R1948 PolarHBondContact O-N 3.48Å; H1945-R1948 VanDerWaalsContact O-N 3.11Å; H1945-S1949 WeakPolarHBondContact O-CB 3.17Å; H1945-S1949 PolarHBondContact O-N 3.08Å; H1945-S1949 PolarHBondContact O-OG 3.35Å
1946W85.4Confident86Confident1 Ų163.8 Ų63.80%0.00432%0.318CS..Hα-helixtrans-64.3-37.3176.9-71.4-37.5000113.8L1857 D1915 L1916 L1942 L1943 R1948 N1950 A1960L1857-W1946 HydrophobicContact CB-CE3 4.27Å; L1857-W1946 HydrophobicContact CB-CH2 3.77Å; L1857-W1946 HydrophobicContact CB-CZ2 4.2Å; L1857-W1946 HydrophobicContact CB-CZ3 3.82Å; L1857-W1946 HydrophobicContact CD1-CD2 4.37Å; L1857-W1946 HydrophobicContact CD1-CE3 3.58Å; L1857-W1946 HydrophobicContact CD1-CH2 4.43Å; L1857-W1946 HydrophobicContact CD1-CZ3 3.63Å; L1857-W1946 HydrophobicContact CD2-CD2 4.39Å; L1857-W1946 HydrophobicContact CD2-CE3 4.39Å; L1857-W1946 HydrophobicContact CG-CE3 4.29Å; L1857-W1946 HydrophobicContact CG-CZ3 4.26Å; D1915-W1946 HydrophobicContact CB-CZ2 4.25Å; L1916-W1946 HydrophobicContact CD1-CH2 4.08Å; L1916-W1946 HydrophobicContact CD1-CZ3 4.21Å; L1916-W1946 HydrophobicContact CG-CH2 3.88Å; L1916-W1946 HydrophobicContact CG-CZ3 4.19Å; L1942-W1946 HydrophobicContact CD2-CD2 4.34Å; L1942-W1946 HydrophobicContact CD2-CH2 4.01Å; L1942-W1946 HydrophobicContact CD2-CZ2 3.75Å; L1942-W1946 HydrophobicContact CD2-CZ3 4.37Å; L1942-W1946 PolarHBondContact O-N 3.07Å; L1943-W1946 HydrophobicContact CD2-CE3 4.06Å; L1943-W1946 HydrophobicContact CD2-CZ3 4.3Å; L1943-W1946 PolarHBondContact O-N 2.91Å; W1946-R1948 VanDerWaalsContact C-N 3.28Å; W1946-R1948 PolarHBondContact O-N 3.17Å; W1946-N1950 WeakPolarHBondContact O-CB 3.18Å; W1946-N1950 PolarHBondContact O-N 3.05Å; W1946-N1950 VanDerWaalsContact O-N 3.08Å; W1946-N1950 PolarHBondContact O-ND2 2.94Å; W1946-A1960 HydrophobicContact CB-CB 3.96Å
1947L89.6Confident86.2Confident39 Ų3964.1 Ų64.120%0.20432%0.319CS..Hα-helixtrans-66.8-28.2172.7-74168.8000112.7L1943 H1945 H1957 A1960 L1964L1943-L1947 WeakPolarHBondContact O-CB 3.45Å; L1943-L1947 WeakPolarHBondContact O-CG 3.28Å; L1943-L1947 PolarHBondContact O-N 2.7Å; H1945-L1947 PolarHBondContact O-N 3.22Å; L1947-H1957 WeakPolarHBondContact CD2-O 3.41Å; L1947-H1957 PolarHBondContact O-CE1 2.93Å; L1947-H1957 PolarHBondContact O-ND1 3.45Å; L1947-H1957 VanDerWaalsContact O-ND1 3.16Å; L1947-A1960 HydrophobicContact CD2-CB 4.02Å; L1947-A1960 HydrophobicContact CG-CB 4Å; L1947-L1964 HydrophobicContact CD1-CD2 3.63Å
1948R82.7Confident86.5Confident219 Ų21967 Ų6783%0.82633%0.329SS*.Hα-helixtrans-82.4-38.3174.6-80.7172.4137.7175.4-7113.3S1944 H1945 W1946S1944-R1948 WeakPolarHBondContact O-CB 3.37Å; S1944-R1948 VanDerWaalsContact O-CG 3.28Å; S1944-R1948 WeakPolarHBondContact O-CG 2.95Å; S1944-R1948 PolarHBondContact O-N 3.36Å; S1944-R1948 VanDerWaalsContact O-N 3.1Å; H1945-R1948 CarbonylContact O-C 3.44Å; H1945-R1948 PolarHBondContact O-N 3.48Å; H1945-R1948 VanDerWaalsContact O-N 3.11Å; W1946-R1948 VanDerWaalsContact C-N 3.28Å; W1946-R1948 PolarHBondContact O-N 3.17Å
1949S79.3Confident86.6Confident65 Ų6567.6 Ų67.646%0.45533%0.333SS..Hα-helixtrans-83.6-21.5-17567.80000113.8H1945H1945-S1949 WeakPolarHBondContact O-CB 3.17Å; H1945-S1949 PolarHBondContact O-N 3.08Å; H1945-S1949 PolarHBondContact O-OG 3.35Å
1950N80.8Confident86.7Confident29 Ų2967.5 Ų67.516%0.15533%0.332CS..SBendtrans-104.7135.9177.8-65.6-82.6000111.7W1946 L1956 H1957W1946-N1950 WeakPolarHBondContact O-CB 3.18Å; W1946-N1950 PolarHBondContact O-N 3.05Å; W1946-N1950 VanDerWaalsContact O-N 3.08Å; W1946-N1950 PolarHBondContact O-ND2 2.94Å; N1950-L1956 HydrophobicContact CB-CB 4.24Å; N1950-L1956 WeakPolarHBondContact OD1-CB 3.12Å; N1950-L1956 WeakPolarHBondContact OD1-CD1 3.32Å; N1950-H1957 HydrophobicContact CB-CB 4Å; N1950-H1957 PolarHBondContact O-ND1 3.14Å
1951R81.7Confident86.9Confident215 Ų21564.1 Ų64.181%0.81133%0.326SS*.  trans-56.4132.4178.2-173.7177.3-179.8169.80.8110.7G1953 S1954 H1957R1951-G1953 PolarHBondContact O-N 2.91Å; R1951-S1954 WeakPolarHBondContact O-CB 3.35Å; R1951-S1954 PolarHBondContact O-N 2.98Å; R1951-S1954 PolarHBondContact O-OG 3.33Å; R1951-H1957 VanDerWaalsContact O-CB 3.26Å; R1951-H1957 WeakPolarHBondContact O-CB 3.48Å
1952P87.4Confident87.1Confident87 Ų8764.7 Ų64.757%0.56533%0.329SS*.THydrogen-bonded Turntrans-51.7136.3171.6-27.935.5000112.1S1954P1952-S1954 VanDerWaalsContact C-N 3.27Å; P1952-S1954 PolarHBondContact O-N 2.98Å
1953G79.4Confident87.2Confident71 Ų7164.8 Ų64.873%0.73233%0.33SS*.THydrogen-bonded Turntrans80.8-8.6-173.200000115.4R1951R1951-G1953 PolarHBondContact O-N 2.91Å
1954S86.3Confident87.4Confident37 Ų3766.9 Ų66.926%0.25934%0.341SS..SBendtrans-68.9150.8167.769.20000111R1951 P1952 L1956 H1957 Q1958R1951-S1954 WeakPolarHBondContact O-CB 3.35Å; R1951-S1954 PolarHBondContact O-N 2.98Å; R1951-S1954 PolarHBondContact O-OG 3.33Å; P1952-S1954 VanDerWaalsContact C-N 3.27Å; P1952-S1954 PolarHBondContact O-N 2.98Å; S1954-L1956 VanDerWaalsContact C-N 3.26Å; S1954-L1956 PolarHBondContact O-N 3.38Å; S1954-H1957 WeakPolarHBondContact O-CB 3.39Å; S1954-H1957 PolarHBondContact O-N 2.84Å; S1954-H1957 VanDerWaalsContact OG-CB 3.31Å; S1954-H1957 WeakPolarHBondContact OG-CB 3.15Å; S1954-H1957 PolarHBondContact OG-N 3.39Å; S1954-Q1958 PolarHBondContact O-N 3.29Å
1955R85.6Confident87.7Confident201 Ų20171.2 Ų71.276%0.75836%0.356SS*.Hα-helixtrans-55.1-39.8179.9-172.2176.5-178.4174.92.7112.8Q1958 C1959R1955-Q1958 PolarHBondContact O-N 3.01Å; R1955-C1959 WeakPolarHBondContact O-CB 3.49Å; R1955-C1959 PolarHBondContact O-N 3.06Å; R1955-C1959 PolarHBondContact O-SG 3.03Å
1956L85Confident87.9Confident47 Ų4771.5 Ų71.525%0.24636%0.357CS..Hα-helixtrans-68.1-39.8177.2-68.9170.4000112.2P1856 L1857 C1860 N1950 S1954 C1959 A1960P1856-L1956 HydrophobicContact CB-CD2 4.05Å; L1857-L1956 HydrophobicContact CD2-CB 4.45Å; L1857-L1956 HydrophobicContact CD2-CD2 3.9Å; C1860-L1956 HydrophobicContact CB-CD2 3.87Å; N1950-L1956 HydrophobicContact CB-CB 4.24Å; N1950-L1956 WeakPolarHBondContact OD1-CB 3.12Å; N1950-L1956 WeakPolarHBondContact OD1-CD1 3.32Å; S1954-L1956 VanDerWaalsContact C-N 3.26Å; S1954-L1956 PolarHBondContact O-N 3.38Å; L1956-C1959 PolarHBondContact O-N 3.44Å; L1956-A1960 WeakPolarHBondContact O-CB 3.48Å; L1956-A1960 PolarHBondContact O-N 3.15Å
1957H92.7Very high88.1Confident34 Ų3471.5 Ų71.516%0.15736%0.357CS..Hα-helixtrans-64.4-43.1175.1-172.1104.7000111.6L1947 N1950 R1951 S1954 A1960 S1961L1947-H1957 WeakPolarHBondContact CD2-O 3.41Å; L1947-H1957 PolarHBondContact O-CE1 2.93Å; L1947-H1957 PolarHBondContact O-ND1 3.45Å; L1947-H1957 VanDerWaalsContact O-ND1 3.16Å; N1950-H1957 HydrophobicContact CB-CB 4Å; N1950-H1957 PolarHBondContact O-ND1 3.14Å; R1951-H1957 VanDerWaalsContact O-CB 3.26Å; R1951-H1957 WeakPolarHBondContact O-CB 3.48Å; S1954-H1957 WeakPolarHBondContact O-CB 3.39Å; S1954-H1957 PolarHBondContact O-N 2.84Å; S1954-H1957 VanDerWaalsContact OG-CB 3.31Å; S1954-H1957 WeakPolarHBondContact OG-CB 3.15Å; S1954-H1957 PolarHBondContact OG-N 3.39Å; H1957-A1960 PolarHBondContact O-N 3.07Å; H1957-S1961 PolarHBondContact O-N 3.18Å
1958Q92.1Very high88.2Confident94 Ų9472.1 Ų72.144%0.43936%0.361SS..Hα-helixtrans-61.7-49.6175.2-170.262.443.700111S1954 R1955 A1960 S1961 D1962S1954-Q1958 PolarHBondContact O-N 3.29Å; R1955-Q1958 PolarHBondContact O-N 3.01Å; Q1958-A1960 VanDerWaalsContact C-N 3.29Å; Q1958-A1960 PolarHBondContact O-N 3.39Å; Q1958-S1961 WeakPolarHBondContact O-CA 3.49Å; Q1958-S1961 WeakPolarHBondContact O-CB 3.46Å; Q1958-S1961 PolarHBondContact O-N 3.21Å; Q1958-D1962 PolarHBondContact NE2-OD1 3.49Å; Q1958-D1962 PolarHBondContact O-N 3.45Å
1959C91Very high88.4Confident14 Ų1469.4 Ų69.410%0.09536%0.355CS..Hα-helixtrans-59.4-37178.1-70.30000113.4S1853 L1857 R1955 L1956 L1963S1853-C1959 WeakPolarHBondContact O-CB 3.3Å; L1857-C1959 HydrophobicContact CD2-CB 4.39Å; L1857-C1959 HydrophobicContact CG-CB 4.3Å; R1955-C1959 WeakPolarHBondContact O-CB 3.49Å; R1955-C1959 PolarHBondContact O-N 3.06Å; R1955-C1959 PolarHBondContact O-SG 3.03Å; L1956-C1959 PolarHBondContact O-N 3.44Å; C1959-L1963 WeakPolarHBondContact O-CB 3.29Å; C1959-L1963 PolarHBondContact O-N 3.14Å; C1959-L1963 VanDerWaalsContact O-N 3.07Å
1960A92.3Very high88.7Confident0 Ų068.4 Ų68.40%034%0.343CS..Hα-helixtrans-68.9-35.3173.800000112.6L1857 L1943 W1946 L1947 L1956 H1957 Q1958 L1964L1857-A1960 HydrophobicContact CD1-CB 3.97Å; L1857-A1960 HydrophobicContact CD2-CB 4.45Å; L1943-A1960 HydrophobicContact CD2-CB 4.4Å; W1946-A1960 HydrophobicContact CB-CB 3.96Å; L1947-A1960 HydrophobicContact CD2-CB 4.02Å; L1947-A1960 HydrophobicContact CG-CB 4Å; L1956-A1960 WeakPolarHBondContact O-CB 3.48Å; L1956-A1960 PolarHBondContact O-N 3.15Å; H1957-A1960 PolarHBondContact O-N 3.07Å; Q1958-A1960 VanDerWaalsContact C-N 3.29Å; Q1958-A1960 PolarHBondContact O-N 3.39Å; A1960-L1964 WeakPolarHBondContact O-CB 3.4Å; A1960-L1964 PolarHBondContact O-N 3.03Å; A1960-L1964 VanDerWaalsContact O-N 3.08Å
1961S94.1Very high88.7Confident45 Ų4568.1 Ų68.132%0.31534%0.341SS..Hα-helixtrans-66.6-48.5173.8-167.80000111.3H1957 Q1958 L1963 L1964 E1965H1957-S1961 PolarHBondContact O-N 3.18Å; Q1958-S1961 WeakPolarHBondContact O-CA 3.49Å; Q1958-S1961 WeakPolarHBondContact O-CB 3.46Å; Q1958-S1961 PolarHBondContact O-N 3.21Å; S1961-L1963 VanDerWaalsContact C-N 3.32Å; S1961-L1963 PolarHBondContact O-N 2.92Å; S1961-L1964 PolarHBondContact O-N 2.97Å; S1961-E1965 PolarHBondContact O-N 3.22Å
1962D93.7Very high88.8Confident51 Ų5164.6 Ų64.627%0.27333%0.331SS..Hα-helixtrans-59.8-42.5179.8-58.6-18.6000111.1Q1958 E1965 Q1966Q1958-D1962 PolarHBondContact NE2-OD1 3.49Å; Q1958-D1962 PolarHBondContact O-N 3.45Å; D1962-E1965 PolarHBondContact O-N 3.19Å; D1962-Q1966 WeakPolarHBondContact O-CB 3.43Å; D1962-Q1966 VanDerWaalsContact O-CD 3.3Å; D1962-Q1966 WeakPolarHBondContact O-CG 3.46Å; D1962-Q1966 PolarHBondContact O-N 3.01Å; D1962-Q1966 PolarHBondContact O-OE1 2.73Å
1963L91.4Very high88.3Confident5 Ų562.5 Ų62.53%0.02632%0.322CS..Hα-helixtrans-66.3-40175.7-99.9175.6000113L1848 I1851 A1854 L1857 L1916 L1943 C1959 S1961 E1965 Q1966 M1967L1848-L1963 HydrophobicContact CD2-CD2 3.98Å; I1851-L1963 HydrophobicContact CD1-CD2 4.29Å; A1854-L1963 HydrophobicContact CB-CD1 3.8Å; A1854-L1963 HydrophobicContact CB-CD2 4.32Å; A1854-L1963 HydrophobicContact CB-CG 4.44Å; L1857-L1963 HydrophobicContact CD1-CD1 3.59Å; L1916-L1963 HydrophobicContact CD1-CD1 4.32Å; L1943-L1963 HydrophobicContact CD2-CB 3.81Å; L1943-L1963 HydrophobicContact CD2-CD1 4.43Å; C1959-L1963 WeakPolarHBondContact O-CB 3.29Å; C1959-L1963 PolarHBondContact O-N 3.14Å; C1959-L1963 VanDerWaalsContact O-N 3.07Å; S1961-L1963 VanDerWaalsContact C-N 3.32Å; S1961-L1963 PolarHBondContact O-N 2.92Å; L1963-E1965 VanDerWaalsContact C-N 3.32Å; L1963-E1965 PolarHBondContact O-N 3.41Å; L1963-Q1966 PolarHBondContact O-N 3.46Å; L1963-M1967 VanDerWaalsContact O-CB 3.27Å; L1963-M1967 WeakPolarHBondContact O-CB 3.2Å; L1963-M1967 PolarHBondContact O-N 3.13Å
1964L93.7Very high87.7Confident48 Ų4862.4 Ų62.425%0.25130%0.304SS..Hα-helixtrans-63.6-39.1176.9178.158.9000111.4L1943 L1947 A1960 S1961 M1967 N1968L1943-L1964 HydrophobicContact CD1-CB 4.27Å; L1943-L1964 HydrophobicContact CD1-CD1 4.28Å; L1947-L1964 HydrophobicContact CD1-CD2 3.63Å; A1960-L1964 WeakPolarHBondContact O-CB 3.4Å; A1960-L1964 PolarHBondContact O-N 3.03Å; A1960-L1964 VanDerWaalsContact O-N 3.08Å; S1961-L1964 PolarHBondContact O-N 2.97Å; L1964-M1967 HydrophobicContact CD1-CE 3.53Å; L1964-N1968 WeakPolarHBondContact O-CB 3.28Å; L1964-N1968 PolarHBondContact O-N 2.84Å; L1964-N1968 VanDerWaalsContact O-N 3.13Å; L1964-N1968 PolarHBondContact O-ND2 3.41Å
1965E93Very high86.8Confident139 Ų13966.7 Ų66.765%0.6532%0.32SS*.Hα-helixtrans-66.2-47.7174.2-171.1176.4172.900111.7S1961 D1962 L1963 M1967 N1968 K1969S1961-E1965 PolarHBondContact O-N 3.22Å; D1962-E1965 PolarHBondContact O-N 3.19Å; L1963-E1965 VanDerWaalsContact C-N 3.32Å; L1963-E1965 PolarHBondContact O-N 3.41Å; E1965-M1967 PolarHBondContact O-N 2.97Å; E1965-N1968 PolarHBondContact O-N 3.32Å; E1965-K1969 WeakPolarHBondContact O-CB 3.44Å; E1965-K1969 PolarHBondContact O-N 2.77Å
1966Q88.5Confident85.6Confident61 Ų6164.2 Ų64.229%0.28532%0.317SS..Hα-helixtrans-60.9-43.1178-72.4161.9-9.700112.5I1851 S1853 D1962 L1963 K1969 K1970I1851-Q1966 HydrophobicContact CD1-CB 4.22Å; S1853-Q1966 PolarHBondContact OG-OE1 3.06Å; D1962-Q1966 WeakPolarHBondContact O-CB 3.43Å; D1962-Q1966 VanDerWaalsContact O-CD 3.3Å; D1962-Q1966 WeakPolarHBondContact O-CG 3.46Å; D1962-Q1966 PolarHBondContact O-N 3.01Å; D1962-Q1966 PolarHBondContact O-OE1 2.73Å; L1963-Q1966 PolarHBondContact O-N 3.46Å; Q1966-K1969 PolarHBondContact O-N 2.79Å; Q1966-K1970 PolarHBondContact O-N 3.16Å
1967M90.1Very high84Confident0 Ų068.6 Ų68.60%034%0.34CS..Hα-helixtrans-60.4-47.9175.2-178.5-174.759.500111.3F1844 L1848 L1939 R1940 L1943 L1963 L1964 E1965 K1969 K1970 L1971F1844-M1967 HydrophobicContact CE1-CG 4.22Å; F1844-M1967 HydrophobicContact CZ-CG 3.81Å; L1848-M1967 HydrophobicContact CD1-CG 4.38Å; L1848-M1967 HydrophobicContact CD2-CB 4.18Å; L1939-M1967 HydrophobicContact CB-SD 3.74Å; L1939-M1967 HydrophobicContact CD1-SD 4.06Å; L1939-M1967 HydrophobicContact CG-SD 4.41Å; R1940-M1967 HydrophobicContact CG-CE 3.62Å; L1943-M1967 HydrophobicContact CD1-CE 3.7Å; L1943-M1967 HydrophobicContact CD1-SD 4.07Å; L1963-M1967 VanDerWaalsContact O-CB 3.27Å; L1963-M1967 WeakPolarHBondContact O-CB 3.2Å; L1963-M1967 PolarHBondContact O-N 3.13Å; L1964-M1967 HydrophobicContact CD1-CE 3.53Å; E1965-M1967 PolarHBondContact O-N 2.97Å; M1967-K1969 VanDerWaalsContact C-N 3.31Å; M1967-K1969 PolarHBondContact O-N 3.24Å; M1967-K1970 PolarHBondContact O-N 3.07Å; M1967-L1971 HydrophobicContact CG-CD1 4.17Å; M1967-L1971 WeakPolarHBondContact O-CG 3.39Å; M1967-L1971 PolarHBondContact O-N 3.48Å
1968N90.5Very high81.5Confident53 Ų5373.1 Ų73.128%0.28337%0.365SS..Hα-helixtrans-66-33.5178-73.2-44000112.3R1940 L1964 E1965 K1972R1940-N1968 PolarHBondContact NH2-OD1 3.2Å; R1940-N1968 VanDerWaalsContact NH2-OD1 3.15Å; L1964-N1968 WeakPolarHBondContact O-CB 3.28Å; L1964-N1968 PolarHBondContact O-N 2.84Å; L1964-N1968 VanDerWaalsContact O-N 3.13Å; L1964-N1968 PolarHBondContact O-ND2 3.41Å; E1965-N1968 PolarHBondContact O-N 3.32Å; N1968-K1972 WeakPolarHBondContact O-CG 3.38Å; N1968-K1972 PolarHBondContact O-N 2.94Å; N1968-K1972 VanDerWaalsContact O-N 3.11Å
1969K88.6Confident78.5Confident162 Ų16274.6 Ų74.670%0.70438%0.375SS*.Hα-helixtrans-65.1-41.6173.5-171.9175.3-178.8176.50111.9E1965 Q1966 M1967 A1973E1965-K1969 WeakPolarHBondContact O-CB 3.44Å; E1965-K1969 PolarHBondContact O-N 2.77Å; Q1966-K1969 PolarHBondContact O-N 2.79Å; M1967-K1969 VanDerWaalsContact C-N 3.31Å; M1967-K1969 PolarHBondContact O-N 3.24Å; K1969-A1973 PolarHBondContact O-N 3.19Å; K1969-A1973 VanDerWaalsContact O-N 3.09Å
1970K83.8Confident75.5Confident44 Ų4479.5 Ų79.519%0.19141%0.406CS..Hα-helixtrans-67.2-42.4175.2-75.2-170.8172.1-168.10113F1844 E1847 Q1966 M1967 K1972 A1973 L1974F1844-K1970 HydrophobicContact CE2-CB 3.99Å; E1847-K1970 PolarHBondContact O-NZ 3.3Å; E1847-K1970 IonicContact OE1-NZ 3.88Å; E1847-K1970 PolarHBondContact OE1-NZ 3.26Å; E1847-K1970 IonicContact OE2-NZ 2.86Å; E1847-K1970 PolarHBondContact OE2-NZ 2.89Å; Q1966-K1970 PolarHBondContact O-N 3.16Å; M1967-K1970 PolarHBondContact O-N 3.07Å; K1970-K1972 VanDerWaalsContact C-N 3.32Å; K1970-K1972 PolarHBondContact O-N 3.28Å; K1970-A1973 WeakPolarHBondContact O-CB 3.47Å; K1970-A1973 PolarHBondContact O-N 3.41Å; K1970-A1973 VanDerWaalsContact O-N 3.08Å; K1970-L1974 PolarHBondContact O-N 3.46Å
1971L82.4Confident72.4Confident23 Ų2385.8 Ų85.812%0.1245%0.445CS..Hα-helixtrans-60.9-40.5176.1-70.4169.6000111.9F1844 I1936 M1967 L1974 Q1975F1844-L1971 HydrophobicContact CE2-CD2 4.11Å; F1844-L1971 HydrophobicContact CE2-CG 4.33Å; F1844-L1971 HydrophobicContact CZ-CD2 3.89Å; F1844-L1971 HydrophobicContact CZ-CG 3.98Å; I1936-L1971 HydrophobicContact CD1-CD2 3.57Å; I1936-L1971 HydrophobicContact CG1-CD2 4.06Å; I1936-L1971 HydrophobicContact CG2-CD1 3.73Å; M1967-L1971 HydrophobicContact CG-CD1 4.17Å; M1967-L1971 WeakPolarHBondContact O-CG 3.39Å; M1967-L1971 PolarHBondContact O-N 3.48Å; L1971-L1974 PolarHBondContact O-N 3.27Å; L1971-Q1975 WeakPolarHBondContact O-CG 3.43Å; L1971-Q1975 PolarHBondContact O-N 2.82Å
1972K83.4Confident69Low140 Ų14089.5 Ų89.561%0.60947%0.465SS*.Hα-helixtrans-63.4-37.8171.9-74.6-177.1176.7-172.80113N1968 K1970 Q1975 Q1976N1968-K1972 WeakPolarHBondContact O-CG 3.38Å; N1968-K1972 PolarHBondContact O-N 2.94Å; N1968-K1972 VanDerWaalsContact O-N 3.11Å; K1970-K1972 VanDerWaalsContact C-N 3.32Å; K1970-K1972 PolarHBondContact O-N 3.28Å; K1972-Q1975 PolarHBondContact O-N 3.21Å; K1972-Q1976 WeakPolarHBondContact O-CG 3.23Å; K1972-Q1976 PolarHBondContact O-N 2.81Å
1973A76.9Confident65.9Low44 Ų4494.4 Ų94.436%0.36449%0.492SS..Hα-helixtrans-67.5-39.5177.400000112.3K1969 K1970 Q1976 L1977K1969-A1973 PolarHBondContact O-N 3.19Å; K1969-A1973 VanDerWaalsContact O-N 3.09Å; K1970-A1973 WeakPolarHBondContact O-CB 3.47Å; K1970-A1973 PolarHBondContact O-N 3.41Å; K1970-A1973 VanDerWaalsContact O-N 3.08Å; A1973-Q1976 PolarHBondContact O-N 3.37Å; A1973-L1977 PolarHBondContact O-N 3.38Å
1974L66.9Low62.7Low69 Ų69100.2 Ų100.236%0.36152%0.523SS..Hα-helixtrans-63.2-42.5173.3-70.3172000111.6F1836 F1844 K1970 L1971 Q1976 L1977F1836-L1974 HydrophobicContact CE2-CD1 4.07Å; F1836-L1974 HydrophobicContact CZ-CD1 4.15Å; F1844-L1974 HydrophobicContact CD2-CD1 4.22Å; F1844-L1974 HydrophobicContact CE2-CD1 4.36Å; K1970-L1974 PolarHBondContact O-N 3.46Å; L1971-L1974 PolarHBondContact O-N 3.27Å; L1974-Q1976 VanDerWaalsContact C-N 3.27Å; L1974-Q1976 PolarHBondContact O-N 3.3Å; L1974-L1977 PolarHBondContact O-N 2.96Å
1975Q67.3Low59.5Low126 Ų126105.1 Ų105.159%0.58955%0.549SS*.Hα-helixtrans-62-31.6174-73178.9-34.100113.2L1971 K1972L1971-Q1975 WeakPolarHBondContact O-CG 3.43Å; L1971-Q1975 PolarHBondContact O-N 2.82Å; K1972-Q1975 PolarHBondContact O-N 3.21Å
1976Q59.3Low56.1Low149 Ų149105.2 Ų105.270%0.69655%0.553SS**Hα-helixtrans-77.1-21.2176.7-75.9-180-20.200114K1972 A1973 L1974K1972-Q1976 WeakPolarHBondContact O-CG 3.23Å; K1972-Q1976 PolarHBondContact O-N 2.81Å; A1973-Q1976 PolarHBondContact O-N 3.37Å; L1974-Q1976 VanDerWaalsContact C-N 3.27Å; L1974-Q1976 PolarHBondContact O-N 3.3Å
1977L51.4Low53.1Low140 Ų140109.9 Ų109.973%0.73358%0.578SS**Hα-helixtrans-80.7-19.8177.2-75.9164.4000113A1973 L1974 I1979A1973-L1977 PolarHBondContact O-N 3.38Å; L1974-L1977 PolarHBondContact O-N 2.96Å; L1977-I1979 PolarHBondContact O-N 3.37Å
1978N41.5Very low49.9Very low129 Ų129116.6 Ų116.669%0.6961%0.614SS**  trans-97.555.3177.5-80.2-8.4000112.6P1980N1978-P1980 WeakPolarHBondContact O-CD 3.3Å
1979I28.5Very low46.9Very low125 Ų125119.1 Ų119.164%0.64164%0.636SS**  trans-106101.8165-58.4178.1000108L1977 T1981L1977-I1979 PolarHBondContact O-N 3.37Å; I1979-T1981 PolarHBondContact O-N 3.04Å
1980P28.5Very low43.8Very low116 Ų116116.8 Ų116.875%0.75364%0.64SS**  trans-74.6110.9174.7-3.119.8000108.8N1978 V1982N1978-P1980 WeakPolarHBondContact O-CD 3.3Å; P1980-V1982 PolarHBondContact O-N 3.41Å
1981T27Very low41Very low133 Ų133122.4 Ų122.482%0.81667%0.672SS**  trans-72.699.516848.90000109.3I1979 N1983I1979-T1981 PolarHBondContact O-N 3.04Å; T1981-N1983 PolarHBondContact O-N 3.13Å
1982V23.8Very low38.2Very low122 Ų122125.8 Ų125.874%0.73970%0.697SS**  trans-57128.3163.8177.20000108.7P1980P1980-V1982 PolarHBondContact O-N 3.41Å
1983N28.1Very low35.4Very low154 Ų154126 Ų12682%0.82471%0.705SS**  trans-158.7137.4150.9-107-15.8000110.2T1981T1981-N1983 PolarHBondContact O-N 3.13Å
1984D23Very low33.1Very low128 Ų128131 Ų13168%0.68473%0.726SS**  trans-70.3167.6-174.8-59.2-76.5000114.1
1985N26.5Very low31.1Very low150 Ų150134.1 Ų134.180%0.80274%0.743SS**  trans143.889.4155.6-74.7-39.3000107.5
1986I21.8Very low29.2Very low141 Ų141135.6 Ų135.672%0.72376%0.755SS**  40.4102.881.1-50.6177.9000111.4
1987I26.8Very low27.5Very low159 Ų159134.3 Ų134.382%0.81576%0.758SS**  trans-166.9134.7133.3-97.4149.1000111.1
1988N22Very low26.2Very low142 Ų142134.5 Ų134.576%0.75976%0.758SS**  trans-43.8139175.9-52.3-44.6000116.8
1989S27.3Very low25.5Very low106 Ų106135.3 Ų135.374%0.74176%0.761SS**  -176.1102.9127.129.40000109.2
1990S22.8Very low25.3Very low112 Ų112136 Ų13678%0.78377%0.766SS**  57.680.68375.70000114.2
1991N26.1Very low25.1Very low163 Ų163135.5 Ų135.587%0.87277%0.765SS**  trans-149.7117.3131.8-129.5-5.7000112
1992S22.5Very low25.1Very low93 Ų93137.6 Ų137.665%0.6577%0.77SS**  trans-89-179.4170.253.60000110.7
1993N25.9Very low25.1Very low145 Ų145139.5 Ų139.578%0.77578%0.776SS**  trans86.4131.6-177.7-44.5-20.7000112.3
1994N28.3Very low25Very low149 Ų149140.2 Ų140.280%0.79778%0.78SS**  cis-141.3160.218.9-130.2-14.6000113.8
1995N24.7Very low25Very low134 Ų134138.6 Ų138.672%0.71778%0.779SS**  trans-77.4150-175.1-53.6-59.8000113
1996N27.9Very low25.1Very low157 Ų157138.5 Ų138.584%0.8478%0.778SS**  179.7121.6106.6-88.5-18.9000113.2
1997T22.9Very low25.3Very low123 Ų123138.3 Ų138.376%0.75578%0.779SS**  trans-68.8166.9162.139.20000112.3
1998I24.8Very low25.1Very low144 Ų144137.6 Ų137.674%0.73878%0.775SS**  trans150.2131.3131.9-78.9159.1000114.5
1999I26.9Very low25.4Very low146 Ų146138.6 Ų138.675%0.74978%0.78SS**  trans75.3109.4166.2-68.1161.4000117.7
2000N24.5Very low25.3Very low139 Ų139138.5 Ų138.574%0.74378%0.779SS**  71.610170.5-80.82.7000113.8
2001S24.4Very low25.3Very low105 Ų105141 Ų14173%0.73478%0.779SS**  80.7105.582.674.60000114.7
2002L25.3Very low25.4Very low178 Ų178141 Ų14193%0.93278%0.779SS**  trans-137.397.4166.1-105.4162.1000108.7
2003N24.5Very low25.5Very low161 Ų161144.4 Ų144.486%0.86179%0.789SS**  trans-108.8136.2166.6-100.3-16000107.2
2004N25.4Very low25.5Very low169 Ų169142.8 Ų142.890%0.90479%0.789SS**  trans-153.3135.5153.8-128.1-5.4000110.8
2005S24.8Very low25.6Very low95 Ų95141.6 Ų141.666%0.66479%0.789SS**  trans-102.5164.5-175.343.80000111.6
2006N27.1Very low25.8Very low148 Ų148142.5 Ų142.579%0.79180%0.799SS**  trans-171.6132.2141.4-93-27.5000113.1
2007N25.5Very low25.6Very low136 Ų136141.2 Ų141.273%0.72779%0.792SS**  trans13.4134154.6-53.2-11.7000120
2008I24.6Very low25.6Very low145 Ų145143 Ų14374%0.74479%0.792SS**  cis67.3113.649.6-56.6174.7000113.4
2009D26.8Very low25.8Very low163 Ų163144.4 Ų144.487%0.87280%0.795SS**  trans-168.8163.1134.3-95.7-24.4000110.9
2010S24.8Very low25.6Very low103 Ų103145.5 Ų145.572%0.7280%0.797SS**  trans-146.7175.2-163.148.90000114.3
2011E24.8Very low25.7Very low165 Ų165144.4 Ų144.477%0.77180%0.801SS**  trans82.3119.4168-50.4-167.1157.900119.2
2012N27.8Very low25.8Very low162 Ų162148.1 Ų148.187%0.86681%0.806SS**  -173.6164.3104.8-101.8-73.3000112.9
2013L23.4Very low26.1Very low165 Ų165144.6 Ų144.686%0.86479%0.794SS**  trans-128.5161.6-163-98.2162.1000114.5
2014S27.1Very low26.1Very low112 Ų112144.6 Ų144.678%0.78379%0.793SS**  trans94.1149.6154.180.30000120.3
2015P29.6Very low26.1Very low123 Ų123145.3 Ų145.380%0.79979%0.789SS**  trans-115.7165-166.841.2-28.5000115
2016V28.9Very low25.9Very low153 Ų153146.1 Ų146.193%0.92779%0.794SS**  trans-120.8153.6175.8177.80000111.3
2017N23.1Very low26Very low130 Ų130145.6 Ų145.670%0.69580%0.797SS**  trans-117.9172.5-157.4-154.8-4.3000112.9
2018H24.4Very low25.8Very low161 Ų161143.8 Ų143.875%0.74579%0.794SS**  trans86.9155.4157-69.3-51.5000123.7
2019Q27.8Very low25.9Very low173 Ų173144.5 Ų144.581%0.80879%0.794SS**  trans83.2142.8164.8-54.2-170.7-2.700117.4
2020Q22.9Very low25.7Very low170 Ų170146.7 Ų146.779%0.79479%0.792SS**  cis-179.6169.4-35.7-120.1178.6-9.700107.2
2021S27.4Very low25.7Very low116 Ų116144.7 Ų144.781%0.81179%0.788SS**  trans70.7159.8169.382.70000117.7
2022Q25.1Very low25.6Very low182 Ų182145.5 Ų145.585%0.8579%0.789SS**  cis-160.9162.6-49.1-104.5-117.5-5.500107.5
2023P31.8Very low25.4Very low104 Ų104148.4 Ų148.468%0.67579%0.788SS**  trans-103.3148.5-16637.7-31.2000114.7
2024L25.5Very low25.3Very low162 Ų162150 Ų15085%0.84879%0.788SS**  trans-147.2150.8167.7-91.6175.4000113.5
2025F25.6Very low25.3Very low184 Ų184160 Ų16081%0.80781%0.808SS**  trans84.583173.2-68.2-72.6000120.4
2026S21.1Very low25.1Very low112 Ų112161.8 Ų161.878%0.78381%0.808SS**  trans-71.9137.3141.854.30000112.3
2027T27.3Very low24.9Very low137 Ų137162.3 Ų162.384%0.8480%0.802SS**  trans-135.9123.7149.742.40000110.7
2028S21.7Very low25Very low97 Ų97164.1 Ų164.168%0.67881%0.808SS**  trans-79.1150.9174.454.70000112
2029H26.7Very low25.1Very low160 Ų160164.2 Ų164.274%0.74181%0.812SS**  -174.1151.5125.5-97.2-40.4000113.2
2030Y23.6Very low24.9Very low209 Ų209163.7 Ų163.782%0.8281%0.812SS**  trans21.1132.1159.4-67.6-100000120
2031G23.2Very low25Very low62 Ų62163.3 Ų163.364%0.63981%0.813SS**  cis116.1130.68.400000112.7
2032K23.1Very low24.9Very low181 Ų181166.6 Ų166.679%0.78781%0.813SS**  trans69.3149172-60.9170.8-177.6168.90114.6
2033R24.3Very low24.8Very low224 Ų224165.5 Ų165.585%0.84581%0.81SS**  cis-153.6156.90.2-128166.3-176.1173.3-2.9109.6
2034K21.1Very low24.3Very low198 Ų198170.6 Ų170.686%0.86182%0.822SS**  trans-48.6135.4174.8-63.9176.3174.2-177.70113.1
2035R28.1Very low24.2Very low321 Ų321171.4 Ų171.4100%1.21182%0.819SS**  -122.30115.4-104.9-173.8175.6174.1-0.3107.9

Retrieved 2,035 of 2,035 residues in 387.1 ms (Link to these results)

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