A0A5K4FCP9_SCHMA Loading...

ATG11 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FCP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,140 aa.

>A0A5K4FCP9_SCHMA|A0A5K4FCP9
MYIFLMDQGRLVSLDDNLLSQTVSSLRNVLAHDFDLPLNKQILLVSGGFQLEPGDKLSTYGAGLDKTNPIYVFTQTFSNDTTVQKPDVLQVNDGGYPRQLACLLELAPSEKVFEERLRLIRSLTPIGREAANAIEQLVSEQRQMIQGWCVALANLAEVAADTNKRLLFATSRLVQFEGCVSDWERKLYNFNELKKELSELPLPPQLVAGTSEIVDQKESFNFNNIPKPTNLYEWVCLQSAISSIGTRYSLPSSTIKAVGLQSIALYLGRHAGVGSGSTGRVRTTSTGHIGVLSGANDGIMSNNSGSTCIGSNQPTGVSFYTGGSQTSLNSLCSTNSNSSDMRFIMDHHQYYTTKDGNDTIVQDHSSSASDCYESAFLDIIKRALHDIHSLRFGPDSPFNFNAKLPDTFTNELVYVRAQTNRLSELITMVTTCSKSNYDEMTTSTMSHPSTKSPSNTTTTNPVTEMNTVMSSSKDISNNSTDNDITSNDSNGAVNKKQIPPFMSSSTYSSTLFPSKLPYNDGVDDIHLVSVRDALDPGYFSQRLSQLDPLLCEAVGLARKMIGIEQNSTKAFQQIIQQKVNSLLQTKFIENTQNSQELIIAFNRLCEILGIVMESKLLLANNLFDRQRWLQNFQSELNRLDAIIQRCLRRMCRVTTTGTLISQLNEAGPTYARCLAEIVRRTEFDDMLTQRSVCYLKEETNLRTEECRRRRIFSKHLKNNVLHSLFSPWTNPKAESLGLSNIPGTISMSQDVAEQQLCETSTTTTTTTTTTTITTTSNQKVDSLSHSPHINTTEFTVNRRFALSSLSEPRLNELAKACALNRVQHSRVRSTRLNSLSSPDPQLTKVKEDEMIESDQNKKRSNYNCPIQHQPVLLRPQHTKLSFDANRRASMPFDESDRGELSSLSNWSVDSSSLLGILSNNFYQTHHHNLSTITQSVKITRDDLERLMQSMPTNISNLLRIELNKSFSLFKNTSFLPNSSLINPSGCVSLDQTSNIANSTGFINSDGSSPLSNLKSTIMTTTTTSKTSISTMMTSTQINMPETKSITTSPFSSLENVSTRDFMNVGCQAEFGLIGPILNVGSGRSLNSSLGLSVDDSVRRTTIHTANNIHTGWEELPGSLCSWELCRFPPVAVRSGDRMSISLNTLPRFEHLMTTGTQTEEQLEFSESHNTSYSPVKPMSTEELYLQNSEAHRKNSTTHENDDNVVDYHPQTMQTPTTTTSTIVNQHSSSSSSLPFTIHNDETNEDNIIISSIFTEDNLFTDSALMMTSSFHSTKTTFSNSINSSNDNTTNDNNSNNNNNNNTSSLQMHTPFMSMHNQSRSMSSSNLCDLTNATDICGSESTTTQYDSMIYDDDIKTSRDVLLLPSSSLPEVKLHELIEQQNQITSFTLLDHNCFKCRLKRIHQEYIQLLQESLKLINNSNNNDNNTNCHDDVDHYQLQRNTSETVIDDDNNKSSRITANEVKQSKSSISLDAIQLKCLFNVLESCSLLFLKSKHISCESSHPVCTELTTSISNDTSSNIARPDLSTILRQETIESLIDNDSAAKECVNCVQPSDNTTNDTAVSDQLDFGQSLQYLMETLQLNNNISINPVTTVSISTSTSPLSSQVLPIITSSESILTQTEVIPTLDMATSITTPNNMFTKGSDLESRTSPICEVLTNLTSSLMSTNTNNPLSTISRSTSPILQQQNHSNEQTCNLSLGSSCFTNISSKSTNERFTSFVHSKCVFFRYFFCCFFFEKYSVPQHFLPDDIVIFVPVPGTRPSISSSTLNTSPTTVTSVTTTTNSTASCILSQNYHDVKADGGTTAATTTTTNSSSNNNTNVHDSTTITKSDIWSMNSKIASNLLGAISPSSSLLSSMIVQSSLPFCSSIFMDSSPGGGIVAGSSGTGTTNTTTSVTTTSISDNNTLMNSSSILSTQKNICAVINSSSIHSNSTLANELCTSTFGGNYGTLLTSTTPPTTTSDCSSTSVKTTTTTETSFTTSTSTITYVQWRMLSSDGHVYFLHQDDFKALNIDDHIDYCKPMSSNVQETNSSHHRNVSFKEAFPAHNYFIAARYKSKERCLSKRANNRFNLPRNFIFYRVRARPLLNSDSSNNCVGFGGIPSSPSPTRNLNRQHQNNGSIKNSVICESSPFVLSDTDVNKE
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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
1M89.3Confident91.4Very high1 Ų127.9 Ų27.91%0.00512%0.122CC..  0149.60-174.3172.672.300109.4I3 S13 L14 D15 D16 L18 L19 L26 G63M1-I3 HydrophobicContact CE-CG2 4.49Å; M1-S13 CarbonylContact O-C 3.6Å; M1-S13 WeakPolarHBondContact O-CA 3.28Å; M1-S13 PolarHBondContact O-OG 2.89Å; M1-L14 HydrophobicContact CE-CB 4.38Å; M1-L14 HydrophobicContact CE-CD1 4.01Å; M1-L14 PolarHBondContact N-O 2.95Å; M1-L14 PolarHBondContact O-N 3.1Å; M1-D15 WeakPolarHBondContact CB-O 3.44Å; M1-D16 WeakPolarHBondContact CA-OD1 3.49Å; M1-D16 PolarHBondContact N-OD1 3.22Å; M1-L18 HydrophobicContact CE-CB 3.68Å; M1-L18 HydrophobicContact CE-CD1 3.93Å; M1-L18 HydrophobicContact CE-CG 4.44Å; M1-L18 HydrophobicContact SD-CB 4.13Å; M1-L19 HydrophobicContact CB-CD1 4.35Å; M1-L19 HydrophobicContact CB-CD2 4.32Å; M1-L19 HydrophobicContact CB-CG 4.04Å; M1-L19 HydrophobicContact CG-CD2 3.72Å; M1-L19 HydrophobicContact CG-CG 3.97Å; M1-L19 HydrophobicContact SD-CD2 3.67Å; M1-L19 HydrophobicContact SD-CG 3.93Å; M1-L26 HydrophobicContact CE-CD1 3.71Å; M1-L26 HydrophobicContact CE-CD2 3.96Å; M1-L26 HydrophobicContact CE-CG 4.32Å; M1-G63 CarbonylContact C-O 3.48Å; M1-G63 WeakPolarHBondContact CA-O 3.39Å; M1-G63 WeakPolarHBondContact CG-O 3.38Å
2Y94.2Very high91.6Very high53 Ų5327.6 Ų27.621%0.20812%0.124CC..EExtended strand (participates in β ladder)trans-119.6132.1-178.9-63.6-75.6000113.3V12 S13 G63 K66 I70Y2-V12 WeakPolarHBondContact CA-O 3.44Å; Y2-S13 WeakPolarHBondContact CE1-OG 3.47Å; Y2-G63 PolarHBondContact N-O 3.17Å; Y2-G63 VanDerWaalsContact O-CA 3.24Å; Y2-G63 WeakPolarHBondContact O-CA 3.06Å; Y2-K66 HydrophobicContact CD1-CG 3.84Å; Y2-K66 HydrophobicContact CD2-CG 4.2Å; Y2-K66 HydrophobicContact CE1-CD 4.15Å; Y2-K66 HydrophobicContact CE1-CG 3.55Å; Y2-K66 HydrophobicContact CE2-CG 3.94Å; Y2-K66 HydrophobicContact CG-CG 4.14Å; Y2-K66 WeakPolarHBondContact OH-CE 3.47Å; Y2-I70 PolarHBondContact O-N 3Å
3I95Very high91.6Very high0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-125.6152173.263.8170.1000109.6M1 L5 L11 V12 L14 L26 L30 I70 V72M1-I3 HydrophobicContact CE-CG2 4.49Å; I3-L5 HydrophobicContact CD1-CD2 3.88Å; I3-L5 HydrophobicContact CD1-CG 4.31Å; I3-L11 WeakPolarHBondContact O-CD1 3.26Å; I3-V12 HydrophobicContact CD1-CB 4.33Å; I3-V12 HydrophobicContact CG1-CB 3.89Å; I3-V12 PolarHBondContact N-O 3.12Å; I3-V12 PolarHBondContact O-N 3.1Å; I3-L14 HydrophobicContact CD1-CD1 3.86Å; I3-L14 HydrophobicContact CD1-CG 4.21Å; I3-L14 HydrophobicContact CG1-CD1 4.39Å; I3-L14 HydrophobicContact CG1-CG 4.44Å; I3-L14 HydrophobicContact CG2-CD1 4.27Å; I3-L26 HydrophobicContact CG2-CD1 4.48Å; I3-L30 HydrophobicContact CD1-CD2 3.58Å; I3-I70 CarbonylContact C-O 3.56Å; I3-I70 WeakPolarHBondContact CA-O 3.31Å; I3-I70 HydrophobicContact CG2-CB 4.38Å; I3-V72 HydrophobicContact CB-CG2 4.39Å
4F95.6Very high91.6Very high0 Ų030.6 Ų30.60%015%0.152CC..EExtended strand (participates in β ladder)trans-117114.8171.9-164.4-93.1000109.6M6 G9 R10 L11 P69 I70 Y71 V72 E140 Q143 M144F4-M6 HydrophobicContact CD1-CG 4.49Å; F4-M6 HydrophobicContact CD1-SD 3.74Å; F4-M6 HydrophobicContact CE1-SD 3.97Å; F4-M6 PolarHBondContact O-N 3.08Å; F4-G9 VanDerWaalsContact CZ-C 3.47Å; F4-R10 VanDerWaalsContact CE2-C 3.44Å; F4-L11 HydrophobicContact CB-CD1 4.4Å; F4-L11 HydrophobicContact CD2-CB 3.89Å; F4-L11 HydrophobicContact CD2-CD1 3.98Å; F4-L11 HydrophobicContact CE2-CB 4.21Å; F4-P69 HydrophobicContact CB-CB 4.21Å; F4-P69 HydrophobicContact CB-CG 4.03Å; F4-I70 PolarHBondContact N-O 3.45Å; F4-Y71 HydrophobicContact CB-CD1 3.86Å; F4-Y71 HydrophobicContact CB-CE1 4.1Å; F4-Y71 HydrophobicContact CD1-CD1 4.08Å; F4-Y71 HydrophobicContact CD1-CE1 4.35Å; F4-Y71 HydrophobicContact CG-CD1 4.25Å; F4-Y71 HydrophobicContact CG-CE1 4.32Å; F4-V72 PolarHBondContact O-N 3.36Å; F4-E140 HydrophobicContact CE2-CG 4.48Å; F4-Q143 HydrophobicContact CD1-CB 4.36Å; F4-Q143 HydrophobicContact CD2-CB 3.6Å; F4-Q143 HydrophobicContact CD2-CG 4.21Å; F4-Q143 HydrophobicContact CE1-CB 4.15Å; F4-Q143 HydrophobicContact CE2-CB 3.35Å; F4-Q143 HydrophobicContact CE2-CG 4.21Å; F4-Q143 HydrophobicContact CG-CB 4.12Å; F4-Q143 HydrophobicContact CZ-CB 3.65Å; F4-M144 HydrophobicContact CE1-CB 4.45Å; F4-M144 HydrophobicContact CE1-CG 3.72Å; F4-M144 HydrophobicContact CZ-CG 3.73Å
5L93.8Very high91.5Very high5 Ų534.7 Ų34.73%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-85.4108178.9-61.4-179.9000108I3 Q8 G9 R10 V12 L30 F34 L36 V72I3-L5 HydrophobicContact CD1-CD2 3.88Å; I3-L5 HydrophobicContact CD1-CG 4.31Å; L5-Q8 HydrophobicContact CB-CB 4.23Å; L5-Q8 VanDerWaalsContact CD1-OE1 3.31Å; L5-G9 WeakPolarHBondContact O-CA 3.49Å; L5-G9 PolarHBondContact O-N 3.42Å; L5-R10 PolarHBondContact N-O 3.44Å; L5-R10 PolarHBondContact O-N 3.27Å; L5-R10 VanDerWaalsContact O-N 3.16Å; L5-V12 HydrophobicContact CD1-CG2 3.83Å; L5-V12 HydrophobicContact CG-CG2 4.23Å; L5-L30 HydrophobicContact CD2-CD2 4.21Å; L5-F34 HydrophobicContact CD1-CD1 3.56Å; L5-F34 HydrophobicContact CD1-CE1 3.9Å; L5-F34 HydrophobicContact CD1-CG 4.29Å; L5-L36 HydrophobicContact CD2-CD1 4.12Å; L5-V72 HydrophobicContact CD2-CB 3.91Å; L5-V72 HydrophobicContact CD2-CG1 4.27Å; L5-V72 HydrophobicContact CD2-CG2 4.14Å
6M91.9Very high91.1Very high9 Ų938.8 Ų38.84%0.04420%0.197CC..THydrogen-bonded Turntrans-65.2-46.4-170.4-75.5-65.1-55.900112.8F4 Q8 G9 Y71 V72 F73 M144 L622F4-M6 HydrophobicContact CD1-CG 4.49Å; F4-M6 HydrophobicContact CD1-SD 3.74Å; F4-M6 HydrophobicContact CE1-SD 3.97Å; F4-M6 PolarHBondContact O-N 3.08Å; M6-Q8 PolarHBondContact O-N 2.93Å; M6-G9 PolarHBondContact O-N 3.07Å; M6-Y71 HydrophobicContact SD-CD1 4.09Å; M6-V72 VanDerWaalsContact CB-O 3.28Å; M6-V72 WeakPolarHBondContact CB-O 3.35Å; M6-V72 WeakPolarHBondContact CG-O 3.35Å; M6-V72 PolarHBondContact N-O 3.37Å; M6-F73 HydrophobicContact CB-CD1 4.01Å; M6-F73 HydrophobicContact CB-CE1 4.2Å; M6-F73 HydrophobicContact CB-CG 4.32Å; M6-F73 HydrophobicContact CE-CE1 3.77Å; M6-F73 HydrophobicContact CE-CZ 3.98Å; M6-F73 HydrophobicContact CG-CD1 3.82Å; M6-F73 HydrophobicContact CG-CD2 4Å; M6-F73 HydrophobicContact CG-CE1 3.68Å; M6-F73 HydrophobicContact CG-CE2 3.83Å; M6-F73 HydrophobicContact CG-CG 3.98Å; M6-F73 HydrophobicContact CG-CZ 3.66Å; M6-F73 HydrophobicContact SD-CE1 4.27Å; M6-F73 HydrophobicContact SD-CZ 4.04Å; M6-M144 WeakPolarHBondContact CE-O 3.17Å; M6-L622 HydrophobicContact CE-CD1 4.45Å
7D84.6Confident90.8Very high33 Ų3342.5 Ų42.518%0.17622%0.217CC..THydrogen-bonded Turntrans-66.4-40.3-174.8-45-38.6000111.3G9 T74 V83 Q626D7-G9 VanDerWaalsContact C-N 3.31Å; D7-T74 WeakPolarHBondContact OD2-CB 3.35Å; D7-T74 PolarHBondContact OD2-N 3.39Å; D7-T74 PolarHBondContact OD2-OG1 2.84Å; D7-V83 HydrophobicContact CB-CG1 4.46Å; D7-Q626 PolarHBondContact OD1-NE2 3.05Å
8Q86.1Confident90.5Very high41 Ų4140.8 Ų40.819%0.19221%0.209CC..THydrogen-bonded Turntrans-74.6-17.7172.9-64.6-178100113.4L5 M6 R10 Q84L5-Q8 HydrophobicContact CB-CB 4.23Å; L5-Q8 VanDerWaalsContact CD1-OE1 3.31Å; M6-Q8 PolarHBondContact O-N 2.93Å; Q8-R10 HydrophobicContact CB-CB 4.2Å; Q8-Q84 HydrophobicContact CG-CB 4.37Å
9G91Very high90Very high0 Ų039.9 Ų39.90%020%0.204CC..THydrogen-bonded Turntrans57.444.1-171.700000113.5F4 L5 M6 D7 K615F4-G9 VanDerWaalsContact CZ-C 3.47Å; L5-G9 WeakPolarHBondContact O-CA 3.49Å; L5-G9 PolarHBondContact O-N 3.42Å; M6-G9 PolarHBondContact O-N 3.07Å; D7-G9 VanDerWaalsContact C-N 3.31Å; G9-K615 WeakPolarHBondContact O-CE 3.5Å; G9-K615 PolarHBondContact O-NZ 3.26Å
10R91.4Very high89.6Confident120 Ų12041.5 Ų41.545%0.45322%0.219SC..EExtended strand (participates in β ladder)trans-134.2137.3-170.6-173.5175.3178.1173-0.5113F4 L5 Q8 V12F4-R10 VanDerWaalsContact CE2-C 3.44Å; L5-R10 PolarHBondContact N-O 3.44Å; L5-R10 PolarHBondContact O-N 3.27Å; L5-R10 VanDerWaalsContact O-N 3.16Å; Q8-R10 HydrophobicContact CB-CB 4.2Å; R10-V12 HydrophobicContact CG-CG2 4.27Å
11L93Very high89.6Confident45 Ų4543.1 Ų43.124%0.23623%0.226CC..EExtended strand (participates in β ladder)trans-84.5127.8168.7-171.375.8000109.6I3 F4 K66 P69I3-L11 WeakPolarHBondContact O-CD1 3.26Å; F4-L11 HydrophobicContact CB-CD1 4.4Å; F4-L11 HydrophobicContact CD2-CB 3.89Å; F4-L11 HydrophobicContact CD2-CD1 3.98Å; F4-L11 HydrophobicContact CE2-CB 4.21Å; L11-K66 HydrophobicContact CD2-CB 3.94Å; L11-K66 HydrophobicContact CD2-CD 4.22Å; L11-K66 HydrophobicContact CD2-CG 3.97Å; L11-P69 HydrophobicContact CD1-CB 3.85Å; L11-P69 HydrophobicContact CD1-CG 4.12Å
12V92.8Very high89.8Confident24 Ų2445.5 Ų45.515%0.14524%0.24CC..EExtended strand (participates in β ladder)trans-121.6143.3179.4-175.30000110.2Y2 I3 L5 R10 L14 F34Y2-V12 WeakPolarHBondContact CA-O 3.44Å; I3-V12 HydrophobicContact CD1-CB 4.33Å; I3-V12 HydrophobicContact CG1-CB 3.89Å; I3-V12 PolarHBondContact N-O 3.12Å; I3-V12 PolarHBondContact O-N 3.1Å; L5-V12 HydrophobicContact CD1-CG2 3.83Å; L5-V12 HydrophobicContact CG-CG2 4.23Å; R10-V12 HydrophobicContact CG-CG2 4.27Å; V12-L14 HydrophobicContact CG1-CD2 4.26Å; V12-F34 HydrophobicContact CG1-CE1 3.96Å; V12-F34 HydrophobicContact CG1-CZ 3.79Å; V12-F34 HydrophobicContact CG2-CE1 4.34Å
13S92.7Very high89.7Confident74 Ų7443 Ų4352%0.51723%0.23SC..EExtended strand (participates in β ladder)trans-105.7124.5173.8-160.90000109.8M1 Y2M1-S13 CarbonylContact O-C 3.6Å; M1-S13 WeakPolarHBondContact O-CA 3.28Å; M1-S13 PolarHBondContact O-OG 2.89Å; Y2-S13 WeakPolarHBondContact CE1-OG 3.47Å
14L91.4Very high89.6Confident24 Ų2445.2 Ų45.213%0.12625%0.246CC..  trans-108.9171.2172.8-57.1-178.2000109.8M1 I3 V12 D16 L18 L26 V29 F34M1-L14 HydrophobicContact CE-CB 4.38Å; M1-L14 HydrophobicContact CE-CD1 4.01Å; M1-L14 PolarHBondContact N-O 2.95Å; M1-L14 PolarHBondContact O-N 3.1Å; I3-L14 HydrophobicContact CD1-CD1 3.86Å; I3-L14 HydrophobicContact CD1-CG 4.21Å; I3-L14 HydrophobicContact CG1-CD1 4.39Å; I3-L14 HydrophobicContact CG1-CG 4.44Å; I3-L14 HydrophobicContact CG2-CD1 4.27Å; V12-L14 HydrophobicContact CG1-CD2 4.26Å; L14-D16 PolarHBondContact O-N 2.88Å; L14-L18 HydrophobicContact CB-CD1 3.87Å; L14-L18 HydrophobicContact CD1-CD1 4.12Å; L14-L26 HydrophobicContact CD1-CD1 3.61Å; L14-V29 HydrophobicContact CD1-CG1 4.09Å; L14-F34 HydrophobicContact CD2-CE2 3.78Å; L14-F34 HydrophobicContact CD2-CZ 3.77Å
15D89.6Confident89.5Confident91 Ų9146.7 Ų46.749%0.48726%0.256SS..  trans-52.6137.3173.6-172.5-1.3000112.1M1 N17 L18M1-D15 WeakPolarHBondContact CB-O 3.44Å; D15-N17 VanDerWaalsContact C-N 3.27Å; D15-N17 VanDerWaalsContact CG-ND2 3.28Å; D15-N17 PolarHBondContact OD1-N 3.37Å; D15-N17 PolarHBondContact OD1-ND2 3.2Å; D15-N17 WeakPolarHBondContact OD2-CB 3.36Å; D15-N17 PolarHBondContact OD2-ND2 3.04Å; D15-L18 HydrophobicContact CB-CD1 4.48Å; D15-L18 PolarHBondContact O-N 3.16Å
16D85.2Confident89.5Confident100 Ų10046.5 Ų46.554%0.53526%0.255SS..G310 helixtrans-68.4-24.5173-76.5-46.1000112.6M1 L14 L18 L19M1-D16 WeakPolarHBondContact CA-OD1 3.49Å; M1-D16 PolarHBondContact N-OD1 3.22Å; L14-D16 PolarHBondContact O-N 2.88Å; D16-L18 PolarHBondContact O-N 2.67Å; D16-L18 VanDerWaalsContact O-N 3.12Å; D16-L19 HydrophobicContact CB-CD1 4.34Å; D16-L19 VanDerWaalsContact O-CB 3.31Å; D16-L19 WeakPolarHBondContact O-CB 3.25Å; D16-L19 PolarHBondContact O-N 3.45Å
17N86.4Confident89.6Confident102 Ų10247.9 Ų47.955%0.54526%0.26SS..G310 helixtrans-57.7-28.7176.3-65.8-53.5000112.5D15 L19 S20D15-N17 VanDerWaalsContact C-N 3.27Å; D15-N17 VanDerWaalsContact CG-ND2 3.28Å; D15-N17 PolarHBondContact OD1-N 3.37Å; D15-N17 PolarHBondContact OD1-ND2 3.2Å; D15-N17 WeakPolarHBondContact OD2-CB 3.36Å; D15-N17 PolarHBondContact OD2-ND2 3.04Å; N17-L19 PolarHBondContact O-N 3.36Å; N17-S20 PolarHBondContact O-N 3.44Å; N17-S20 PolarHBondContact O-OG 3.1Å
18L85.1Confident90.1Very high13 Ų1350.7 Ų50.77%0.06828%0.275CS..G310 helixtrans-60.4-29.2176.5-72.6164.6000113M1 L14 D15 D16 S20 Q21 V29 L57M1-L18 HydrophobicContact CE-CB 3.68Å; M1-L18 HydrophobicContact CE-CD1 3.93Å; M1-L18 HydrophobicContact CE-CG 4.44Å; M1-L18 HydrophobicContact SD-CB 4.13Å; L14-L18 HydrophobicContact CB-CD1 3.87Å; L14-L18 HydrophobicContact CD1-CD1 4.12Å; D15-L18 HydrophobicContact CB-CD1 4.48Å; D15-L18 PolarHBondContact O-N 3.16Å; D16-L18 PolarHBondContact O-N 2.67Å; D16-L18 VanDerWaalsContact O-N 3.12Å; L18-S20 PolarHBondContact O-N 2.93Å; L18-S20 VanDerWaalsContact O-N 3.13Å; L18-Q21 WeakPolarHBondContact O-CB 3.49Å; L18-Q21 PolarHBondContact O-N 3.44Å; L18-V29 HydrophobicContact CD1-CG1 4.49Å; L18-V29 HydrophobicContact CD1-CG2 4.48Å; L18-V29 HydrophobicContact CD2-CG2 4.04Å; L18-L57 VanDerWaalsContact O-CD1 3.24Å; L18-L57 WeakPolarHBondContact O-CD1 3.33Å
19L81.3Confident90.4Very high23 Ų2350.3 Ų50.312%0.1228%0.276CS..G310 helixtrans-59.2-27.3177.7-69.5162.1000112.9M1 D16 N17 S58 L64M1-L19 HydrophobicContact CB-CD1 4.35Å; M1-L19 HydrophobicContact CB-CD2 4.32Å; M1-L19 HydrophobicContact CB-CG 4.04Å; M1-L19 HydrophobicContact CG-CD2 3.72Å; M1-L19 HydrophobicContact CG-CG 3.97Å; M1-L19 HydrophobicContact SD-CD2 3.67Å; M1-L19 HydrophobicContact SD-CG 3.93Å; D16-L19 HydrophobicContact CB-CD1 4.34Å; D16-L19 VanDerWaalsContact O-CB 3.31Å; D16-L19 WeakPolarHBondContact O-CB 3.25Å; D16-L19 PolarHBondContact O-N 3.45Å; N17-L19 PolarHBondContact O-N 3.36Å; L19-S58 WeakPolarHBondContact O-CB 3.39Å; L19-S58 PolarHBondContact O-N 2.94Å; L19-L64 HydrophobicContact CD1-CD2 3.74Å; L19-L64 HydrophobicContact CD2-CD2 3.76Å; L19-L64 HydrophobicContact CG-CD2 4.33Å
20S82Confident90.6Very high71 Ų7150.3 Ų50.350%0.49728%0.276SS..G310 helixtrans-80.7-16.5178.275.70000114.2N17 L18 K56N17-S20 PolarHBondContact O-N 3.44Å; N17-S20 PolarHBondContact O-OG 3.1Å; L18-S20 PolarHBondContact O-N 2.93Å; L18-S20 VanDerWaalsContact O-N 3.13Å; S20-K56 PolarHBondContact O-NZ 3.44Å
21Q89.6Confident90.6Very high77 Ų7746.1 Ų46.136%0.3627%0.266SS..SBendtrans-92.7179.2-172.7-55.2-173.124.800112.1L18 K56 L57L18-Q21 WeakPolarHBondContact O-CB 3.49Å; L18-Q21 PolarHBondContact O-N 3.44Å; Q21-K56 WeakPolarHBondContact O-CA 3.46Å; Q21-L57 PolarHBondContact O-N 3.42Å
22T93Very high90.5Very high50 Ų5051.2 Ų51.231%0.30729%0.289SS..BIsolated β-bridgetrans-80.6156.3175.858.30000112.3S24 S25 L26 D55T22-S24 PolarHBondContact O-N 3.26Å; T22-S25 VanDerWaalsContact O-CB 3.29Å; T22-S25 WeakPolarHBondContact O-CB 3.46Å; T22-S25 PolarHBondContact O-N 3.03Å; T22-S25 PolarHBondContact O-OG 3.22Å; T22-S25 PolarHBondContact OG1-OG 3.43Å; T22-L26 PolarHBondContact O-N 3.48Å; T22-D55 CarbonylContact C-O 3.51Å; T22-D55 VanDerWaalsContact CA-O 3.25Å; T22-D55 WeakPolarHBondContact CA-O 3.48Å
23V93.3Very high90.4Very high0 Ų054.5 Ų54.50%031%0.306CS..Hα-helixtrans-55.2-38.3172.2173.50000111.5S25 L26 R27 L51 E52 D55 L57 Y60V23-S25 PolarHBondContact O-N 2.82Å; V23-L26 PolarHBondContact O-N 3.38Å; V23-L26 VanDerWaalsContact O-N 3.17Å; V23-R27 HydrophobicContact CG1-CG 4.28Å; V23-R27 WeakPolarHBondContact O-CG 3.14Å; V23-R27 PolarHBondContact O-N 3.22Å; V23-L51 HydrophobicContact CG1-CB 3.79Å; V23-L51 HydrophobicContact CG2-CB 3.91Å; V23-L51 HydrophobicContact CG2-CD2 4.1Å; V23-E52 VanDerWaalsContact CB-O 3.29Å; V23-E52 WeakPolarHBondContact CB-O 3.35Å; V23-E52 WeakPolarHBondContact CG2-O 3.38Å; V23-D55 WeakPolarHBondContact CG2-O 3.42Å; V23-D55 PolarHBondContact N-O 3.43Å; V23-L57 HydrophobicContact CG2-CD2 3.97Å; V23-L57 HydrophobicContact CG2-CG 4.1Å; V23-Y60 HydrophobicContact CG2-CE2 4.05Å
24S92.8Very high90.2Very high47 Ų4752.8 Ų52.833%0.32929%0.289SS..Hα-helixtrans-53.4-35.2172.3-68.70000113.6T22 R27 N28 P53T22-S24 PolarHBondContact O-N 3.26Å; S24-R27 PolarHBondContact O-N 3.01Å; S24-N28 PolarHBondContact O-N 3.11Å; S24-N28 PolarHBondContact O-OD1 3.01Å; S24-P53 PolarHBondContact N-O 2.83Å; S24-P53 WeakPolarHBondContact OG-CB 3.45Å; S24-P53 PolarHBondContact OG-O 3.47Å
25S92.7Very high90Very high32 Ų3258 Ų5822%0.22432%0.317CS..Hα-helixtrans-69.7-43.2-179.7-48.40000110.9T22 V23 R27 N28 V29T22-S25 VanDerWaalsContact O-CB 3.29Å; T22-S25 WeakPolarHBondContact O-CB 3.46Å; T22-S25 PolarHBondContact O-N 3.03Å; T22-S25 PolarHBondContact O-OG 3.22Å; T22-S25 PolarHBondContact OG1-OG 3.43Å; V23-S25 PolarHBondContact O-N 2.82Å; S25-R27 PolarHBondContact O-N 2.91Å; S25-N28 PolarHBondContact O-N 3.4Å; S25-V29 WeakPolarHBondContact O-CG2 3.46Å; S25-V29 PolarHBondContact O-N 3.46Å
26L93.9Very high90Very high0 Ų054.7 Ų54.70%030%0.299CS..Hα-helixtrans-62.7-39.6170.4172.459.3000111.9M1 I3 L14 T22 V23 N28 V29 L30 L43 L57 I70M1-L26 HydrophobicContact CE-CD1 3.71Å; M1-L26 HydrophobicContact CE-CD2 3.96Å; M1-L26 HydrophobicContact CE-CG 4.32Å; I3-L26 HydrophobicContact CG2-CD1 4.48Å; L14-L26 HydrophobicContact CD1-CD1 3.61Å; T22-L26 PolarHBondContact O-N 3.48Å; V23-L26 PolarHBondContact O-N 3.38Å; V23-L26 VanDerWaalsContact O-N 3.17Å; L26-N28 VanDerWaalsContact C-N 3.29Å; L26-N28 PolarHBondContact O-N 3.25Å; L26-V29 PolarHBondContact O-N 3.39Å; L26-L30 HydrophobicContact CD1-CD1 4.17Å; L26-L30 HydrophobicContact CD1-CD2 4.45Å; L26-L30 HydrophobicContact CD1-CG 3.94Å; L26-L30 HydrophobicContact CG-CD1 4.03Å; L26-L30 HydrophobicContact CG-CG 4.29Å; L26-L30 WeakPolarHBondContact O-CB 3.22Å; L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 3.2Å; L26-L43 HydrophobicContact CD2-CD2 3.8Å; L26-L43 HydrophobicContact CG-CD2 4.16Å; L26-L57 HydrophobicContact CB-CD1 3.77Å; L26-L57 HydrophobicContact CB-CD2 4.4Å; L26-L57 HydrophobicContact CD2-CD1 4.35Å; L26-L57 HydrophobicContact CD2-CD2 3.68Å; L26-I70 HydrophobicContact CD2-CD1 4.04Å
27R94.2Very high90.1Very high38 Ų3852.6 Ų52.614%0.14329%0.291CS..Hα-helixtrans-62.5-37.3177-66.9-172.286.1-160.212.7112V23 S24 S25 L30 A31 L38 Q41 L43V23-R27 HydrophobicContact CG1-CG 4.28Å; V23-R27 WeakPolarHBondContact O-CG 3.14Å; V23-R27 PolarHBondContact O-N 3.22Å; S24-R27 PolarHBondContact O-N 3.01Å; S25-R27 PolarHBondContact O-N 2.91Å; R27-L30 PolarHBondContact O-N 3.2Å; R27-A31 WeakPolarHBondContact O-CB 3.38Å; R27-A31 PolarHBondContact O-N 3.36Å; R27-L38 VanDerWaalsContact C-CD2 3.47Å; R27-L38 HydrophobicContact CB-CD2 3.8Å; R27-L38 PolarHBondContact NH2-O 3.02Å; R27-L38 WeakPolarHBondContact O-CD2 3.27Å; R27-Q41 VanDerWaalsContact CA-OE1 3.27Å; R27-Q41 VanDerWaalsContact CG-OE1 3.27Å; R27-Q41 PolarHBondContact NH2-O 3.33Å; R27-Q41 PolarHBondContact O-NE2 3.06Å; R27-Q41 PolarHBondContact O-OE1 2.76Å; R27-L43 HydrophobicContact CG-CD1 3.97Å; R27-L43 HydrophobicContact CG-CD2 4.22Å
28N93.9Very high90.1Very high93 Ų9350.5 Ų50.550%0.49728%0.279SS..Hα-helixtrans-66.4-43.2173.2-67.7-7.6000112S24 S25 L26 L30 A31 H32S24-N28 PolarHBondContact O-N 3.11Å; S24-N28 PolarHBondContact O-OD1 3.01Å; S25-N28 PolarHBondContact O-N 3.4Å; L26-N28 VanDerWaalsContact C-N 3.29Å; L26-N28 PolarHBondContact O-N 3.25Å; N28-L30 PolarHBondContact O-N 2.84Å; N28-A31 PolarHBondContact O-N 2.98Å; N28-A31 VanDerWaalsContact O-N 3.12Å; N28-H32 PolarHBondContact O-N 3.47Å
29V93.9Very high90.1Very high33 Ų3354.9 Ų54.920%0.230%0.303CS..Hα-helixtrans-58.9-45.4173.31680000111.4L14 L18 S25 L26 A31 H32 D33L14-V29 HydrophobicContact CD1-CG1 4.09Å; L18-V29 HydrophobicContact CD1-CG1 4.49Å; L18-V29 HydrophobicContact CD1-CG2 4.48Å; L18-V29 HydrophobicContact CD2-CG2 4.04Å; S25-V29 WeakPolarHBondContact O-CG2 3.46Å; S25-V29 PolarHBondContact O-N 3.46Å; L26-V29 PolarHBondContact O-N 3.39Å; V29-A31 PolarHBondContact O-N 3.01Å; V29-H32 PolarHBondContact O-N 2.83Å; V29-D33 WeakPolarHBondContact O-CB 3.46Å; V29-D33 PolarHBondContact O-N 3.42Å
30L93.5Very high90.3Very high0 Ų055.6 Ų55.60%031%0.305CS..Hα-helixtrans-61.6-29.6175.3-71.2171.5000113.2I3 L5 L26 R27 N28 F34 L36 L43 V72I3-L30 HydrophobicContact CD1-CD2 3.58Å; L5-L30 HydrophobicContact CD2-CD2 4.21Å; L26-L30 HydrophobicContact CD1-CD1 4.17Å; L26-L30 HydrophobicContact CD1-CD2 4.45Å; L26-L30 HydrophobicContact CD1-CG 3.94Å; L26-L30 HydrophobicContact CG-CD1 4.03Å; L26-L30 HydrophobicContact CG-CG 4.29Å; L26-L30 WeakPolarHBondContact O-CB 3.22Å; L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 3.2Å; R27-L30 PolarHBondContact O-N 3.2Å; N28-L30 PolarHBondContact O-N 2.84Å; L30-F34 HydrophobicContact CD2-CD2 4.19Å; L30-L36 HydrophobicContact CD2-CD1 4.39Å; L30-L36 WeakPolarHBondContact O-CB 3.25Å; L30-L36 PolarHBondContact O-N 2.9Å; L30-L36 VanDerWaalsContact O-N 3.16Å; L30-L43 HydrophobicContact CD1-CD1 4.11Å; L30-L43 HydrophobicContact CD1-CD2 3.87Å; L30-L43 HydrophobicContact CD1-CG 4.13Å; L30-V72 HydrophobicContact CD1-CG1 4.05Å; L30-V72 HydrophobicContact CD1-CG2 4.09Å; L30-V72 HydrophobicContact CD2-CG2 4.35Å
31A92Very high90.8Very high31 Ų3152.4 Ų52.426%0.25628%0.282SS..Hα-helixtrans-81.8-26.6178.300000113.8R27 N28 V29 L36 L38R27-A31 WeakPolarHBondContact O-CB 3.38Å; R27-A31 PolarHBondContact O-N 3.36Å; N28-A31 PolarHBondContact O-N 2.98Å; N28-A31 VanDerWaalsContact O-N 3.12Å; V29-A31 PolarHBondContact O-N 3.01Å; A31-L36 VanDerWaalsContact CA-O 3.23Å; A31-L36 WeakPolarHBondContact CA-O 3.32Å; A31-L36 WeakPolarHBondContact CB-O 3.04Å; A31-L38 HydrophobicContact CB-CD2 3.96Å; A31-L38 HydrophobicContact CB-CG 3.89Å
32H91.8Very high91Very high152 Ų15250.9 Ų50.970%0.70428%0.276SS*.Hα-helixtrans-94.9-45-178.6-179.9-87.4000112.7N28 V29N28-H32 PolarHBondContact O-N 3.47Å; V29-H32 PolarHBondContact O-N 2.83Å
33D90.6Very high91.1Very high94 Ų9448.7 Ų48.750%0.50326%0.263SS..SBendtrans-90.6-12.3-171.5-63.3-1.9000113.1V29V29-D33 WeakPolarHBondContact O-CB 3.46Å; V29-D33 PolarHBondContact O-N 3.42Å
34F88.1Confident91.2Very high37 Ų3748.9 Ų48.916%0.16226%0.264CS..SBendtrans-136.510.5-174.8-57-88.1000113.7L5 V12 L14 L30 L36L5-F34 HydrophobicContact CD1-CD1 3.56Å; L5-F34 HydrophobicContact CD1-CE1 3.9Å; L5-F34 HydrophobicContact CD1-CG 4.29Å; V12-F34 HydrophobicContact CG1-CE1 3.96Å; V12-F34 HydrophobicContact CG1-CZ 3.79Å; V12-F34 HydrophobicContact CG2-CE1 4.34Å; L14-F34 HydrophobicContact CD2-CE2 3.78Å; L14-F34 HydrophobicContact CD2-CZ 3.77Å; L30-F34 HydrophobicContact CD2-CD2 4.19Å; F34-L36 HydrophobicContact CB-CD1 4.31Å; F34-L36 HydrophobicContact CB-CG 4.03Å; F34-L36 WeakPolarHBondContact O-CG 3.44Å; F34-L36 PolarHBondContact O-N 2.95Å
35D88.3Confident91.2Very high133 Ų13347.1 Ų47.171%0.71125%0.251SS*.  trans5421-178.6-62.9-52000115.6P37D35-P37 WeakPolarHBondContact O-CD 3.3Å
36L87.6Confident90.9Very high22 Ų2247.6 Ų47.612%0.11525%0.254CS..  trans-86.4107.1-176.3-57.6-178.9000111.4L5 L30 A31 F34 L38 Q41 V72L5-L36 HydrophobicContact CD2-CD1 4.12Å; L30-L36 HydrophobicContact CD2-CD1 4.39Å; L30-L36 WeakPolarHBondContact O-CB 3.25Å; L30-L36 PolarHBondContact O-N 2.9Å; L30-L36 VanDerWaalsContact O-N 3.16Å; A31-L36 VanDerWaalsContact CA-O 3.23Å; A31-L36 WeakPolarHBondContact CA-O 3.32Å; A31-L36 WeakPolarHBondContact CB-O 3.04Å; F34-L36 HydrophobicContact CB-CD1 4.31Å; F34-L36 HydrophobicContact CB-CG 4.03Å; F34-L36 WeakPolarHBondContact O-CG 3.44Å; F34-L36 PolarHBondContact O-N 2.95Å; L36-L38 PolarHBondContact O-N 3.36Å; L36-Q41 HydrophobicContact CB-CG 3.93Å; L36-Q41 PolarHBondContact O-NE2 2.92Å; L36-V72 HydrophobicContact CD1-CG1 3.95Å
37P87.3Confident90.4Very high56 Ų5648.8 Ų48.836%0.36427%0.267SS..  trans-62.2136.2-171.4-25.338000112.5D35 N39 K40 Q41D35-P37 WeakPolarHBondContact O-CD 3.3Å; P37-N39 VanDerWaalsContact CB-OD1 3.23Å; P37-N39 WeakPolarHBondContact CB-OD1 3.43Å; P37-N39 PolarHBondContact O-N 3.26Å; P37-K40 HydrophobicContact CB-CB 4.49Å; P37-K40 HydrophobicContact CB-CG 4.35Å; P37-K40 HydrophobicContact CG-CD 4.28Å; P37-K40 PolarHBondContact O-N 3.21Å; P37-Q41 PolarHBondContact O-N 3.29Å; P37-Q41 VanDerWaalsContact O-N 3.17Å
38L87.5Confident90.2Very high59 Ų5947 Ų4731%0.30926%0.26SS..THydrogen-bonded Turntrans-53.1-25.8-175.8-72.4174000114.4R27 A31 L36 H288R27-L38 VanDerWaalsContact C-CD2 3.47Å; R27-L38 HydrophobicContact CB-CD2 3.8Å; R27-L38 PolarHBondContact NH2-O 3.02Å; R27-L38 WeakPolarHBondContact O-CD2 3.27Å; A31-L38 HydrophobicContact CB-CD2 3.96Å; A31-L38 HydrophobicContact CB-CG 3.89Å; L36-L38 PolarHBondContact O-N 3.36Å; L38-H288 VanDerWaalsContact C-NE2 3.3Å; L38-H288 PolarHBondContact O-NE2 3.23Å
39N84Confident90Very high105 Ų10547 Ų4756%0.56126%0.256SS*.THydrogen-bonded Turntrans-85.2-21176.864.3-24.8000114.1P37P37-N39 VanDerWaalsContact CB-OD1 3.23Å; P37-N39 WeakPolarHBondContact CB-OD1 3.43Å; P37-N39 PolarHBondContact O-N 3.26Å
40K87.2Confident89.9Confident38 Ų3847.5 Ų47.517%0.16526%0.256CS..THydrogen-bonded Turntrans-92.7-22.2176.4-64.4-169.9175.8-163.60113.5P37 I42 T74 Q75 F77 D80P37-K40 HydrophobicContact CB-CB 4.49Å; P37-K40 HydrophobicContact CB-CG 4.35Å; P37-K40 HydrophobicContact CG-CD 4.28Å; P37-K40 PolarHBondContact O-N 3.21Å; K40-I42 PolarHBondContact O-N 3Å; K40-T74 HydrophobicContact CB-CG2 3.69Å; K40-T74 HydrophobicContact CD-CG2 3.97Å; K40-T74 HydrophobicContact CG-CG2 4.46Å; K40-Q75 HydrophobicContact CB-CB 4.37Å; K40-Q75 WeakPolarHBondContact CD-O 3.33Å; K40-Q75 WeakPolarHBondContact O-CB 3.31Å; K40-Q75 PolarHBondContact O-N 3.24Å; K40-F77 HydrophobicContact CG-CE2 4.28Å; K40-D80 IonicContact NZ-OD1 2.75Å; K40-D80 PolarHBondContact NZ-OD1 3.32Å; K40-D80 IonicContact NZ-OD2 3.51Å; K40-D80 PolarHBondContact NZ-OD2 3.5Å
41Q92.4Very high89.9Confident4 Ų447.9 Ų47.92%0.01926%0.258CS..EExtended strand (participates in β ladder)trans-66.3125.5-176.9-69.1173.815.600114.1R27 L36 P37 L43R27-Q41 VanDerWaalsContact CA-OE1 3.27Å; R27-Q41 VanDerWaalsContact CG-OE1 3.27Å; R27-Q41 PolarHBondContact NH2-O 3.33Å; R27-Q41 PolarHBondContact O-NE2 3.06Å; R27-Q41 PolarHBondContact O-OE1 2.76Å; L36-Q41 HydrophobicContact CB-CG 3.93Å; L36-Q41 PolarHBondContact O-NE2 2.92Å; P37-Q41 PolarHBondContact O-N 3.29Å; P37-Q41 VanDerWaalsContact O-N 3.17Å; Q41-L43 HydrophobicContact CB-CD1 3.92Å
42I92.4Very high89.8Confident44 Ų4448.5 Ų48.523%0.22626%0.256CS..EExtended strand (participates in β ladder)trans-120.1116.9168.7-59.8167000108.3K40 L44 F73 Q75K40-I42 PolarHBondContact O-N 3Å; I42-L44 HydrophobicContact CG2-CD2 4.21Å; I42-L44 HydrophobicContact CG2-CG 4.27Å; I42-F73 HydrophobicContact CB-CB 4.23Å; I42-F73 PolarHBondContact N-O 3.3Å; I42-F73 PolarHBondContact O-N 3.19Å; I42-Q75 HydrophobicContact CD1-CB 4.3Å
43L95.4Very high89.6Confident5 Ų543 Ų433%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-107.6126.5179.9-6872.6000109.5L26 R27 L30 Q41 Q50 L51 I70 Y71 V72L26-L43 HydrophobicContact CD2-CD2 3.8Å; L26-L43 HydrophobicContact CG-CD2 4.16Å; R27-L43 HydrophobicContact CG-CD1 3.97Å; R27-L43 HydrophobicContact CG-CD2 4.22Å; L30-L43 HydrophobicContact CD1-CD1 4.11Å; L30-L43 HydrophobicContact CD1-CD2 3.87Å; L30-L43 HydrophobicContact CD1-CG 4.13Å; Q41-L43 HydrophobicContact CB-CD1 3.92Å; L43-Q50 WeakPolarHBondContact O-CA 3.22Å; L43-L51 HydrophobicContact CB-CB 4.35Å; L43-L51 HydrophobicContact CB-CD1 3.96Å; L43-L51 WeakPolarHBondContact O-CD1 3.29Å; L43-L51 PolarHBondContact O-N 2.8Å; L43-L51 VanDerWaalsContact O-N 3.13Å; L43-I70 HydrophobicContact CB-CG2 4.17Å; L43-I70 HydrophobicContact CD2-CG2 4.38Å; L43-Y71 WeakPolarHBondContact CA-O 3.49Å; L43-V72 HydrophobicContact CG-CG2 4.4Å
44L95.4Very high89.5Confident4 Ų441.5 Ų41.52%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-126.2148.1178.7-56.5-179.3000111.5I42 F49 Q50 Y71 F73 V150 N154I42-L44 HydrophobicContact CG2-CD2 4.21Å; I42-L44 HydrophobicContact CG2-CG 4.27Å; L44-F49 WeakPolarHBondContact CA-O 3.45Å; L44-Q50 HydrophobicContact CD2-CB 3.91Å; L44-Q50 HydrophobicContact CD2-CG 4.23Å; L44-Y71 PolarHBondContact N-O 3.45Å; L44-Y71 PolarHBondContact O-N 2.87Å; L44-F73 HydrophobicContact CD1-CD2 4.22Å; L44-F73 HydrophobicContact CD1-CE2 3.86Å; L44-F73 HydrophobicContact CG-CD2 4.46Å; L44-F73 HydrophobicContact CG-CE2 4.39Å; L44-V150 HydrophobicContact CB-CG1 3.52Å; L44-V150 HydrophobicContact CD1-CG1 3.9Å; L44-V150 HydrophobicContact CG-CG1 4.36Å; L44-N154 HydrophobicContact CD1-CB 4.03Å; L44-N154 HydrophobicContact CD2-CB 4.32Å
45V93.9Very high89.6Confident10 Ų1043.1 Ų43.16%0.06125%0.25CS..  trans-100.7165.4166.5-60.20000111.8G47 G48 F49 L51 Y60 A62 V150V45-G47 PolarHBondContact O-N 3.49Å; V45-G48 PolarHBondContact O-N 2.9Å; V45-F49 HydrophobicContact CG2-CB 3.96Å; V45-F49 HydrophobicContact CG2-CD2 4.31Å; V45-F49 PolarHBondContact N-O 2.64Å; V45-L51 HydrophobicContact CG1-CD1 3.62Å; V45-L51 HydrophobicContact CG1-CD2 4.49Å; V45-L51 HydrophobicContact CG1-CG 4.2Å; V45-Y60 HydrophobicContact CG1-CG 4.45Å; V45-A62 HydrophobicContact CB-CB 4.02Å; V45-A62 HydrophobicContact CG1-CB 3.5Å; V45-V150 VanDerWaalsContact O-CG1 3.22Å; V45-V150 WeakPolarHBondContact O-CG1 3.41Å
46S85.7Confident89.7Confident41 Ų4142.4 Ų42.429%0.28724%0.241SC..THydrogen-bonded Turntrans-51.3-13.8-175.2-59.60000117.8N68S46-N68 VanDerWaalsContact CB-OD1 3.29Å; S46-N68 WeakPolarHBondContact CB-OD1 3.22Å; S46-N68 PolarHBondContact OG-OD1 3.03Å
47G84.5Confident89.6Confident26 Ų2641.4 Ų41.427%0.26824%0.235SC..THydrogen-bonded Turntrans-92.63.6172.400000115.6V45 F49V45-G47 PolarHBondContact O-N 3.49Å; G47-F49 VanDerWaalsContact C-N 3.31Å
48G89.2Confident89.5Confident1 Ų141.7 Ų41.71%0.0124%0.239CC..SBendtrans83.7-3.4-173.800000114.9V45 V150 N154V45-G48 PolarHBondContact O-N 2.9Å; G48-V150 WeakPolarHBondContact CA-O 3.41Å; G48-N154 WeakPolarHBondContact O-CA 3.48Å; G48-N154 VanDerWaalsContact O-CB 3.25Å; G48-N154 WeakPolarHBondContact O-CB 3.43Å; G48-N154 PolarHBondContact O-ND2 3.47Å
49F90.5Very high89.4Confident91 Ų9143.1 Ų43.140%0.39925%0.25SS..PPolyproline II helixtrans-73.3133.6-179.7-55-68.6000111.8L44 V45 G47 E157L44-F49 WeakPolarHBondContact CA-O 3.45Å; V45-F49 HydrophobicContact CG2-CB 3.96Å; V45-F49 HydrophobicContact CG2-CD2 4.31Å; V45-F49 PolarHBondContact N-O 2.64Å; G47-F49 VanDerWaalsContact C-N 3.31Å; F49-E157 VanDerWaalsContact CD1-OE2 3.28Å; F49-E157 WeakPolarHBondContact CD1-OE2 3.24Å; F49-E157 WeakPolarHBondContact CE1-OE2 3.18Å
50Q91.7Very high89.4Confident45 Ų4540.8 Ų40.821%0.2123%0.234CC..BIsolated β-bridgetrans-79.8138.8173.6-167.7179.628.100110.5L43 L44 S285L43-Q50 WeakPolarHBondContact O-CA 3.22Å; L44-Q50 HydrophobicContact CD2-CB 3.91Å; L44-Q50 HydrophobicContact CD2-CG 4.23Å; Q50-S285 VanDerWaalsContact CD-OG 3.29Å; Q50-S285 PolarHBondContact NE2-OG 2.99Å; Q50-S285 PolarHBondContact OE1-OG 3.28Å
51L92.3Very high89.3Confident8 Ų839.7 Ų39.74%0.04223%0.234CC..PPolyproline II helixtrans-79.6127.2178.8-68.977.6000110.9V23 L43 V45 L57 Y60 I70V23-L51 HydrophobicContact CG1-CB 3.79Å; V23-L51 HydrophobicContact CG2-CB 3.91Å; V23-L51 HydrophobicContact CG2-CD2 4.1Å; L43-L51 HydrophobicContact CB-CB 4.35Å; L43-L51 HydrophobicContact CB-CD1 3.96Å; L43-L51 WeakPolarHBondContact O-CD1 3.29Å; L43-L51 PolarHBondContact O-N 2.8Å; L43-L51 VanDerWaalsContact O-N 3.13Å; V45-L51 HydrophobicContact CG1-CD1 3.62Å; V45-L51 HydrophobicContact CG1-CD2 4.49Å; V45-L51 HydrophobicContact CG1-CG 4.2Å; L51-L57 HydrophobicContact CD2-CD2 3.84Å; L51-Y60 HydrophobicContact CB-CE2 4.28Å; L51-Y60 HydrophobicContact CD2-CD2 4.21Å; L51-Y60 HydrophobicContact CD2-CE2 4.42Å; L51-Y60 HydrophobicContact CG-CD2 4.17Å; L51-Y60 HydrophobicContact CG-CE1 4.49Å; L51-Y60 HydrophobicContact CG-CE2 4.12Å; L51-Y60 HydrophobicContact CG-CG 4.36Å; L51-I70 HydrophobicContact CD1-CG2 4.07Å; L51-I70 HydrophobicContact CD2-CD1 3.95Å; L51-I70 HydrophobicContact CD2-CG1 4.35Å; L51-I70 HydrophobicContact CD2-CG2 4.12Å
52E90.2Very high89.1Confident44 Ų4439.6 Ų39.621%0.20623%0.233CC..PPolyproline II helixtrans-83.3129.2-179.6-85.3-82154.100111V23 G54 D55 Y60 R280V23-E52 VanDerWaalsContact CB-O 3.29Å; V23-E52 WeakPolarHBondContact CB-O 3.35Å; V23-E52 WeakPolarHBondContact CG2-O 3.38Å; E52-G54 PolarHBondContact O-N 2.89Å; E52-D55 HydrophobicContact CB-CB 4.41Å; E52-D55 PolarHBondContact O-N 2.85Å; E52-Y60 PolarHBondContact N-OH 2.66Å; E52-R280 VanDerWaalsContact CD-NH2 3.28Å; E52-R280 IonicContact OE1-NH2 2.67Å; E52-R280 PolarHBondContact OE1-NH2 3.44Å; E52-R280 VanDerWaalsContact OE1-NH2 3.15Å; E52-R280 IonicContact OE2-CZ 3.88Å; E52-R280 VanDerWaalsContact OE2-CZ 3.26Å; E52-R280 IonicContact OE2-NH1 3.67Å; E52-R280 PolarHBondContact OE2-NH1 2.85Å; E52-R280 IonicContact OE2-NH2 3.57Å; E52-R280 PolarHBondContact OE2-NH2 2.94Å
53P88.4Confident88.9Confident37 Ų3737.5 Ų37.524%0.2422%0.223CC..THydrogen-bonded Turntrans-54.9-32.1-172-28.835.2000115.9S24S24-P53 PolarHBondContact N-O 2.83Å; S24-P53 WeakPolarHBondContact OG-CB 3.45Å; S24-P53 PolarHBondContact OG-O 3.47Å
54G88.5Confident88.5Confident61 Ų6141.9 Ų41.963%0.62925%0.246SC*.THydrogen-bonded Turntrans-82-15.4-17900000115.3E52E52-G54 PolarHBondContact O-N 2.89Å
55D90.3Very high88.1Confident72 Ų7244.7 Ų44.739%0.38526%0.261SS..SBendtrans-81.5157.2-174.9-72-3.6000111.2T22 V23 E52 Y60T22-D55 CarbonylContact C-O 3.51Å; T22-D55 VanDerWaalsContact CA-O 3.25Å; T22-D55 WeakPolarHBondContact CA-O 3.48Å; V23-D55 WeakPolarHBondContact CG2-O 3.42Å; V23-D55 PolarHBondContact N-O 3.43Å; E52-D55 HydrophobicContact CB-CB 4.41Å; E52-D55 PolarHBondContact O-N 2.85Å; D55-Y60 HydrophobicContact CB-CE2 3.94Å; D55-Y60 PolarHBondContact OD2-OH 3.21Å; D55-Y60 VanDerWaalsContact OD2-OH 3.06Å
56K88.9Confident87.8Confident117 Ų11750.1 Ų50.151%0.50928%0.283SS..BIsolated β-bridgetrans-79.9138.8172.8-69.9-164.9173.4-148.40111.1S20 Q21 S58 T59S20-K56 PolarHBondContact O-NZ 3.44Å; Q21-K56 WeakPolarHBondContact O-CA 3.46Å; K56-S58 VanDerWaalsContact C-N 3.31Å; K56-S58 PolarHBondContact O-N 2.89Å; K56-T59 WeakPolarHBondContact O-CB 3.41Å; K56-T59 PolarHBondContact O-N 3.42Å; K56-T59 PolarHBondContact O-OG1 2.88Å
57L86.5Confident87.9Confident1 Ų153.7 Ų53.71%0.00530%0.304CS..G310 helixtrans-59-40.5-178.5-76.8151.6000112.6L18 Q21 V23 L26 L51 T59 Y60 I70L18-L57 VanDerWaalsContact O-CD1 3.24Å; L18-L57 WeakPolarHBondContact O-CD1 3.33Å; Q21-L57 PolarHBondContact O-N 3.42Å; V23-L57 HydrophobicContact CG2-CD2 3.97Å; V23-L57 HydrophobicContact CG2-CG 4.1Å; L26-L57 HydrophobicContact CB-CD1 3.77Å; L26-L57 HydrophobicContact CB-CD2 4.4Å; L26-L57 HydrophobicContact CD2-CD1 4.35Å; L26-L57 HydrophobicContact CD2-CD2 3.68Å; L51-L57 HydrophobicContact CD2-CD2 3.84Å; L57-T59 PolarHBondContact O-N 2.94Å; L57-Y60 PolarHBondContact O-N 3.35Å; L57-I70 HydrophobicContact CD2-CD1 3.74Å
58S84.9Confident88.2Confident63 Ų6354.5 Ų54.544%0.44130%0.302SS..G310 helixtrans-53-25.3173.863.30000115L19 K56 Y60 G61L19-S58 WeakPolarHBondContact O-CB 3.39Å; L19-S58 PolarHBondContact O-N 2.94Å; K56-S58 VanDerWaalsContact C-N 3.31Å; K56-S58 PolarHBondContact O-N 2.89Å; S58-Y60 VanDerWaalsContact C-N 3.26Å; S58-Y60 PolarHBondContact O-N 3.39Å; S58-G61 PolarHBondContact O-N 3.04Å
59T85.9Confident88.5Confident89 Ų8954.4 Ų54.455%0.54630%0.301SS..G310 helixtrans-67.7-25.8-176-36.80000112.6K56 L57K56-T59 WeakPolarHBondContact O-CB 3.41Å; K56-T59 PolarHBondContact O-N 3.42Å; K56-T59 PolarHBondContact O-OG1 2.88Å; L57-T59 PolarHBondContact O-N 2.94Å
60Y84.4Confident88.7Confident55 Ų5550.1 Ų50.122%0.21628%0.283CS..G310 helixtrans-90.4-12.2-176.4-63.2-84.7000113.9V23 V45 L51 E52 D55 L57 S58 A62V23-Y60 HydrophobicContact CG2-CE2 4.05Å; V45-Y60 HydrophobicContact CG1-CG 4.45Å; L51-Y60 HydrophobicContact CB-CE2 4.28Å; L51-Y60 HydrophobicContact CD2-CD2 4.21Å; L51-Y60 HydrophobicContact CD2-CE2 4.42Å; L51-Y60 HydrophobicContact CG-CD2 4.17Å; L51-Y60 HydrophobicContact CG-CE1 4.49Å; L51-Y60 HydrophobicContact CG-CE2 4.12Å; L51-Y60 HydrophobicContact CG-CG 4.36Å; E52-Y60 PolarHBondContact N-OH 2.66Å; D55-Y60 HydrophobicContact CB-CE2 3.94Å; D55-Y60 PolarHBondContact OD2-OH 3.21Å; D55-Y60 VanDerWaalsContact OD2-OH 3.06Å; L57-Y60 PolarHBondContact O-N 3.35Å; S58-Y60 VanDerWaalsContact C-N 3.26Å; S58-Y60 PolarHBondContact O-N 3.39Å; Y60-A62 PolarHBondContact O-N 2.87Å
61G84.1Confident88.9Confident16 Ų1648 Ų4817%0.16527%0.273CS..  trans63.918.1-178.200000115.3S58 N68S58-G61 PolarHBondContact O-N 3.04Å; G61-N68 PolarHBondContact O-ND2 3.06Å
62A87.5Confident89Confident1 Ų147.8 Ų47.81%0.00827%0.271CS..  trans-112.8158.8179.200000111.5V45 Y60 L64 I70V45-A62 HydrophobicContact CB-CB 4.02Å; V45-A62 HydrophobicContact CG1-CB 3.5Å; Y60-A62 PolarHBondContact O-N 2.87Å; A62-L64 PolarHBondContact O-N 2.84Å; A62-I70 HydrophobicContact CB-CG1 3.99Å
63G88.4Confident89.2Confident0 Ų046.2 Ų46.20%026%0.264CS..SBendtrans74.85.4-176.500000114.9M1 Y2 N68M1-G63 CarbonylContact C-O 3.48Å; M1-G63 WeakPolarHBondContact CA-O 3.39Å; M1-G63 WeakPolarHBondContact CG-O 3.38Å; Y2-G63 PolarHBondContact N-O 3.17Å; Y2-G63 VanDerWaalsContact O-CA 3.24Å; Y2-G63 WeakPolarHBondContact O-CA 3.06Å; G63-N68 PolarHBondContact N-O 2.95Å
64L86.9Confident89.1Confident98 Ų9845.2 Ų45.251%0.51326%0.257SS..SBendtrans-74.9-30.9175.5-61.7175.9000112.4L19 A62L19-L64 HydrophobicContact CD1-CD2 3.74Å; L19-L64 HydrophobicContact CD2-CD2 3.76Å; L19-L64 HydrophobicContact CG-CD2 4.33Å; A62-L64 PolarHBondContact O-N 2.84Å
65D87.5Confident88.9Confident63 Ų6344.8 Ų44.834%0.33724%0.239SC..SBendtrans-142.1171.6-177.268.273.8000111.6T67 N68D65-T67 VanDerWaalsContact C-N 3.3Å; D65-T67 PolarHBondContact O-N 3.49Å; D65-T67 VanDerWaalsContact OD1-CA 3.27Å; D65-T67 WeakPolarHBondContact OD1-CA 3.48Å; D65-T67 VanDerWaalsContact OD1-CB 3.3Å; D65-T67 WeakPolarHBondContact OD1-CB 3.31Å; D65-T67 PolarHBondContact OD1-N 3.38Å; D65-T67 PolarHBondContact OD1-OG1 3.23Å; D65-N68 PolarHBondContact OD1-N 3.49Å
66K88.4Confident88Confident123 Ų12342.1 Ų42.154%0.53523%0.225SC..SBendtrans-75.5-13.5-176.7-63-174.6177.7-178.90114.3Y2 L11 Q143Y2-K66 HydrophobicContact CD1-CG 3.84Å; Y2-K66 HydrophobicContact CD2-CG 4.2Å; Y2-K66 HydrophobicContact CE1-CD 4.15Å; Y2-K66 HydrophobicContact CE1-CG 3.55Å; Y2-K66 HydrophobicContact CE2-CG 3.94Å; Y2-K66 HydrophobicContact CG-CG 4.14Å; Y2-K66 WeakPolarHBondContact OH-CE 3.47Å; L11-K66 HydrophobicContact CD2-CB 3.94Å; L11-K66 HydrophobicContact CD2-CD 4.22Å; L11-K66 HydrophobicContact CD2-CG 3.97Å; K66-Q143 PolarHBondContact O-NE2 3.04Å; K66-Q143 VanDerWaalsContact O-NE2 3.08Å
67T87.5Confident86.9Confident116 Ų11641 Ų4171%0.71222%0.22SC*.SBendtrans-89.7-32.5-178.375.60000111.6D65 P69 Q143D65-T67 VanDerWaalsContact C-N 3.3Å; D65-T67 PolarHBondContact O-N 3.49Å; D65-T67 VanDerWaalsContact OD1-CA 3.27Å; D65-T67 WeakPolarHBondContact OD1-CA 3.48Å; D65-T67 VanDerWaalsContact OD1-CB 3.3Å; D65-T67 WeakPolarHBondContact OD1-CB 3.31Å; D65-T67 PolarHBondContact OD1-N 3.38Å; D65-T67 PolarHBondContact OD1-OG1 3.23Å; T67-P69 VanDerWaalsContact O-CD 3.31Å; T67-P69 WeakPolarHBondContact O-CD 3.47Å; T67-Q143 PolarHBondContact O-NE2 2.65Å
68N90.4Very high85.5Confident43 Ų4344 Ų4423%0.2324%0.241CC..SBendtrans-119.263.4177.8-173.534.5000112.4S46 G61 G63 D65S46-N68 VanDerWaalsContact CB-OD1 3.29Å; S46-N68 WeakPolarHBondContact CB-OD1 3.22Å; S46-N68 PolarHBondContact OG-OD1 3.03Å; G61-N68 PolarHBondContact O-ND2 3.06Å; G63-N68 PolarHBondContact N-O 2.95Å; D65-N68 PolarHBondContact OD1-N 3.49Å
69P94.7Very high84Confident0 Ų047.8 Ų47.80%026%0.257CS..PPolyproline II helixtrans-71168.517733.2-36.8000112.3F4 L11 T67 Y71F4-P69 HydrophobicContact CB-CB 4.21Å; F4-P69 HydrophobicContact CB-CG 4.03Å; L11-P69 HydrophobicContact CD1-CB 3.85Å; L11-P69 HydrophobicContact CD1-CG 4.12Å; T67-P69 VanDerWaalsContact O-CD 3.31Å; T67-P69 WeakPolarHBondContact O-CD 3.47Å; P69-Y71 HydrophobicContact CG-CE1 4.08Å; P69-Y71 HydrophobicContact CG-CE2 4.2Å
70I95.6Very high82.7Confident1 Ų145.6 Ų45.61%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-84.9123.6163.8-60.7165.2000108Y2 I3 F4 L26 L43 L51 L57 A62Y2-I70 PolarHBondContact O-N 3Å; I3-I70 CarbonylContact C-O 3.56Å; I3-I70 WeakPolarHBondContact CA-O 3.31Å; I3-I70 HydrophobicContact CG2-CB 4.38Å; F4-I70 PolarHBondContact N-O 3.45Å; L26-I70 HydrophobicContact CD2-CD1 4.04Å; L43-I70 HydrophobicContact CB-CG2 4.17Å; L43-I70 HydrophobicContact CD2-CG2 4.38Å; L51-I70 HydrophobicContact CD1-CG2 4.07Å; L51-I70 HydrophobicContact CD2-CD1 3.95Å; L51-I70 HydrophobicContact CD2-CG1 4.35Å; L51-I70 HydrophobicContact CD2-CG2 4.12Å; L57-I70 HydrophobicContact CD2-CD1 3.74Å; A62-I70 HydrophobicContact CB-CG1 3.99Å
71Y96.4Very high81.2Confident1 Ų149.1 Ų49.10%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-85.2128.4178.4-60-88.8000110F4 M6 L43 L44 P69 Q143 Q146 V150F4-Y71 HydrophobicContact CB-CD1 3.86Å; F4-Y71 HydrophobicContact CB-CE1 4.1Å; F4-Y71 HydrophobicContact CD1-CD1 4.08Å; F4-Y71 HydrophobicContact CD1-CE1 4.35Å; F4-Y71 HydrophobicContact CG-CD1 4.25Å; F4-Y71 HydrophobicContact CG-CE1 4.32Å; M6-Y71 HydrophobicContact SD-CD1 4.09Å; L43-Y71 WeakPolarHBondContact CA-O 3.49Å; L44-Y71 PolarHBondContact N-O 3.45Å; L44-Y71 PolarHBondContact O-N 2.87Å; P69-Y71 HydrophobicContact CG-CE1 4.08Å; P69-Y71 HydrophobicContact CG-CE2 4.2Å; Y71-Q143 WeakPolarHBondContact CE1-O 3.43Å; Y71-Q143 PolarHBondContact OH-OE1 3.46Å; Y71-Q146 HydrophobicContact CE1-CG 4.46Å; Y71-Q146 WeakPolarHBondContact OH-CG 3.29Å; Y71-V150 HydrophobicContact CD2-CB 4.45Å; Y71-V150 HydrophobicContact CD2-CG1 4.27Å; Y71-V150 HydrophobicContact CD2-CG2 4.12Å; Y71-V150 HydrophobicContact CE2-CG2 4.06Å
72V94.9Very high79.6Confident2 Ų254.1 Ų54.11%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-115120.4-178.7-1710000109I3 F4 L5 M6 L30 L36 L43I3-V72 HydrophobicContact CB-CG2 4.39Å; F4-V72 PolarHBondContact O-N 3.36Å; L5-V72 HydrophobicContact CD2-CB 3.91Å; L5-V72 HydrophobicContact CD2-CG1 4.27Å; L5-V72 HydrophobicContact CD2-CG2 4.14Å; M6-V72 VanDerWaalsContact CB-O 3.28Å; M6-V72 WeakPolarHBondContact CB-O 3.35Å; M6-V72 WeakPolarHBondContact CG-O 3.35Å; M6-V72 PolarHBondContact N-O 3.37Å; L30-V72 HydrophobicContact CD1-CG1 4.05Å; L30-V72 HydrophobicContact CD1-CG2 4.09Å; L30-V72 HydrophobicContact CD2-CG2 4.35Å; L36-V72 HydrophobicContact CD1-CG1 3.95Å; L43-V72 HydrophobicContact CG-CG2 4.4Å
73F92.5Very high78.1Confident12 Ų1256.3 Ų56.35%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-111.8146.1175.4-64.2-102.6000109.9M6 I42 L44 G147 A151M6-F73 HydrophobicContact CB-CD1 4.01Å; M6-F73 HydrophobicContact CB-CE1 4.2Å; M6-F73 HydrophobicContact CB-CG 4.32Å; M6-F73 HydrophobicContact CE-CE1 3.77Å; M6-F73 HydrophobicContact CE-CZ 3.98Å; M6-F73 HydrophobicContact CG-CD1 3.82Å; M6-F73 HydrophobicContact CG-CD2 4Å; M6-F73 HydrophobicContact CG-CE1 3.68Å; M6-F73 HydrophobicContact CG-CE2 3.83Å; M6-F73 HydrophobicContact CG-CG 3.98Å; M6-F73 HydrophobicContact CG-CZ 3.66Å; M6-F73 HydrophobicContact SD-CE1 4.27Å; M6-F73 HydrophobicContact SD-CZ 4.04Å; I42-F73 HydrophobicContact CB-CB 4.23Å; I42-F73 PolarHBondContact N-O 3.3Å; I42-F73 PolarHBondContact O-N 3.19Å; L44-F73 HydrophobicContact CD1-CD2 4.22Å; L44-F73 HydrophobicContact CD1-CE2 3.86Å; L44-F73 HydrophobicContact CG-CD2 4.46Å; L44-F73 HydrophobicContact CG-CE2 4.39Å; F73-G147 WeakPolarHBondContact CZ-O 3.34Å; F73-A151 HydrophobicContact CE1-CB 4.09Å; F73-A151 HydrophobicContact CZ-CB 3.84Å
74T88.2Confident76.7Confident16 Ų1661 Ų6110%0.09833%0.332CS..EExtended strand (participates in β ladder)trans-99.9135.2169.1-490000110.2D7 K40 Q626D7-T74 WeakPolarHBondContact OD2-CB 3.35Å; D7-T74 PolarHBondContact OD2-N 3.39Å; D7-T74 PolarHBondContact OD2-OG1 2.84Å; K40-T74 HydrophobicContact CB-CG2 3.69Å; K40-T74 HydrophobicContact CD-CG2 3.97Å; K40-T74 HydrophobicContact CG-CG2 4.46Å; T74-Q626 PolarHBondContact O-NE2 2.99Å; T74-Q626 VanDerWaalsContact O-NE2 3.13Å
75Q83Confident75.6Confident52 Ų5262.6 Ų62.624%0.24333%0.334CS..  trans-74.3126.7169.7-166.4170.314.500109.9K40 I42K40-Q75 HydrophobicContact CB-CB 4.37Å; K40-Q75 WeakPolarHBondContact CD-O 3.33Å; K40-Q75 WeakPolarHBondContact O-CB 3.31Å; K40-Q75 PolarHBondContact O-N 3.24Å; I42-Q75 HydrophobicContact CD1-CB 4.3Å
76T71.7Confident74.7Confident16 Ų1659.9 Ų59.910%0.09832%0.321CS..  trans-120.5110.8-162.646.60000109.9F623 Q630T76-F623 HydrophobicContact CG2-CE2 3.81Å; T76-Q630 PolarHBondContact O-OE1 2.95Å; T76-Q630 PolarHBondContact OG1-NE2 2.97Å; T76-Q630 PolarHBondContact OG1-OE1 3.04Å
77F66Low73.8Confident93 Ų9359.8 Ų59.841%0.40833%0.326SS..  trans-82158.6179.8-62.4-83.1000110.9K40 N79 D80K40-F77 HydrophobicContact CG-CE2 4.28Å; F77-N79 PolarHBondContact O-N 3.27Å; F77-D80 PolarHBondContact N-OD2 2.83Å; F77-D80 PolarHBondContact O-N 3.04Å
78S57Low72.9Confident64 Ų6458.4 Ų58.445%0.44832%0.317SS..THydrogen-bonded Turntrans-57.9-13.3-174.3-76.30000116.1R627S78-R627 VanDerWaalsContact CA-NH2 3.34Å; S78-R627 VanDerWaalsContact CB-NH2 3.27Å; S78-R627 PolarHBondContact OG-NH2 3.08Å
79N53.2Low72.1Confident143 Ų14360.4 Ų60.477%0.76533%0.327SS*.THydrogen-bonded Turntrans-108.4-7.7-177.7-55.67.7000112.6F77 T81F77-N79 PolarHBondContact O-N 3.27Å; N79-T81 PolarHBondContact O-N 3.46Å
80D58.8Low71Confident43 Ų4368.6 Ų68.623%0.2337%0.366CS..  trans-72.288.8179.1-74.3-40.5000110.1K40 F77K40-D80 IonicContact NZ-OD1 2.75Å; K40-D80 PolarHBondContact NZ-OD1 3.32Å; K40-D80 IonicContact NZ-OD2 3.51Å; K40-D80 PolarHBondContact NZ-OD2 3.5Å; F77-D80 PolarHBondContact N-OD2 2.83Å; F77-D80 PolarHBondContact O-N 3.04Å
81T51.9Low70.1Confident128 Ų12871 Ų7179%0.78538%0.38SS*.  trans-87.9-4.1175.345.40000113.6N79 V83N79-T81 PolarHBondContact O-N 3.46Å; T81-V83 VanDerWaalsContact C-N 3.34Å; T81-V83 PolarHBondContact O-N 3.39Å
82T51.9Low69.4Low121 Ų12177.5 Ų77.574%0.74242%0.415SS*.  trans-94.143-172.957.70000113.1Q84T82-Q84 PolarHBondContact O-N 3.09Å
83V55.2Low68.8Low48 Ų4879.7 Ų79.729%0.29143%0.426SS..  trans-74.7120.1177.4-172.50000109D7 T81 K85 F623D7-V83 HydrophobicContact CB-CG1 4.46Å; T81-V83 VanDerWaalsContact C-N 3.34Å; T81-V83 PolarHBondContact O-N 3.39Å; V83-K85 PolarHBondContact O-N 3.29Å; V83-K85 VanDerWaalsContact O-N 3.1Å; V83-F623 HydrophobicContact CB-CE2 4.47Å; V83-F623 HydrophobicContact CG1-CD2 4.17Å; V83-F623 HydrophobicContact CG1-CE2 4.31Å; V83-F623 HydrophobicContact CG2-CD2 4.06Å; V83-F623 HydrophobicContact CG2-CE2 3.41Å; V83-F623 VanDerWaalsContact CG2-CE2 3.41Å; V83-F623 HydrophobicContact CG2-CZ 3.72Å
84Q59.6Low68.3Low98 Ų9880.8 Ų80.846%0.45844%0.441SS..  trans-65.2109.2173.6-71.1178-8.300109.3Q8 T82Q8-Q84 HydrophobicContact CG-CB 4.37Å; T82-Q84 PolarHBondContact O-N 3.09Å
85K64.3Low68.2Low131 Ų13180.9 Ų80.957%0.5745%0.446SS*.PPolyproline II helixtrans-76.4154.4174.1-70.1-165.8178.2-1600110.8V83 D87 N620V83-K85 PolarHBondContact O-N 3.29Å; V83-K85 VanDerWaalsContact O-N 3.1Å; K85-D87 PolarHBondContact O-N 2.96Å; K85-N620 WeakPolarHBondContact CE-OD1 3.47Å; K85-N620 PolarHBondContact NZ-OD1 2.99Å
86P68.1Low68.6Low7 Ų781.7 Ų81.75%0.04545%0.447CS..PPolyproline II helixtrans-55.6137.5173.7-23.832.3000112.5K615 A619P86-K615 HydrophobicContact CB-CD 4.27Å; P86-A619 HydrophobicContact CG-CB 3.84Å
87D68.7Low69.5Low120 Ų12081.3 Ų81.364%0.64245%0.445SS*.PPolyproline II helixtrans-60.3136.7178.2-74-49.4000112.5K85 L89K85-D87 PolarHBondContact O-N 2.96Å; D87-L89 PolarHBondContact O-N 3.44Å
88V69.8Low70.7Confident87 Ų8785.1 Ų85.153%0.52746%0.456SS..  trans-88.598.6177.7-175.10000109.8M612 L616V88-M612 HydrophobicContact CG1-CG 4.26Å; V88-L616 HydrophobicContact CG2-CD1 4.23Å
89L72.6Confident72.4Confident86 Ų8685.9 Ų85.945%0.4545%0.453SS..  trans-63.7134.1172.7-58.6179.2000111D87 A133 L137 M612D87-L89 PolarHBondContact O-N 3.44Å; L89-A133 HydrophobicContact CD1-CB 4.15Å; L89-L137 HydrophobicContact CD1-CD1 4.28Å; L89-L137 HydrophobicContact CD1-CD2 4.42Å; L89-L137 HydrophobicContact CD1-CG 4.44Å; L89-M612 HydrophobicContact CB-CE 3.7Å; L89-M612 HydrophobicContact CD1-CE 4.24Å; L89-M612 HydrophobicContact CG-CE 3.83Å
90Q71.6Confident74.3Confident172 Ų17279.1 Ų79.180%0.80442%0.417SS*.  trans-124.4138.4171.4-62.1-175.920.700109.4
91V77.7Confident75.9Confident51 Ų5179 Ų7931%0.30942%0.421SS..  trans-86.9121.9175.3173.50000109.2D93 I126 A130 F601 L608V91-D93 PolarHBondContact O-N 2.93Å; V91-I126 HydrophobicContact CG1-CG2 3.64Å; V91-A130 HydrophobicContact CG2-CB 4.08Å; V91-F601 HydrophobicContact CG1-CZ 3.91Å; V91-L608 HydrophobicContact CG2-CD2 3.42Å; V91-L608 VanDerWaalsContact CG2-CD2 3.42Å
92N81.7Confident77.8Confident138 Ų13876.9 Ų76.974%0.73841%0.411SS*.  trans-87.7100.5167.4-174.6-4.4000108.9G94N92-G94 VanDerWaalsContact C-N 3.26Å; N92-G94 PolarHBondContact O-N 3.08Å; N92-G94 PolarHBondContact OD1-N 3.48Å
93D82.4Confident79.6Confident47 Ų4772.4 Ų72.425%0.25138%0.383SS..  trans-80.6-1.2-177.478.5-20.1000114.1V91 G95 Y96 P97 F601V91-D93 PolarHBondContact O-N 2.93Å; D93-G95 PolarHBondContact O-N 3.47Å; D93-G95 WeakPolarHBondContact OD1-CA 3.49Å; D93-G95 PolarHBondContact OD1-N 3.01Å; D93-Y96 WeakPolarHBondContact O-CB 3.43Å; D93-Y96 WeakPolarHBondContact O-CD2 3.35Å; D93-Y96 PolarHBondContact O-N 3.44Å; D93-P97 HydrophobicContact CB-CG 4.24Å; D93-P97 VanDerWaalsContact OD2-CD 3.22Å; D93-P97 WeakPolarHBondContact OD2-CD 3.45Å; D93-P97 WeakPolarHBondContact OD2-CG 3.43Å; D93-F601 HydrophobicContact CB-CE1 3.7Å; D93-F601 HydrophobicContact CB-CZ 3.8Å
94G80.3Confident81.2Confident35 Ų3571.7 Ų71.736%0.36138%0.377SS..THydrogen-bonded Turntrans60.110.2-174.400000114.7N92 Y96 Q99N92-G94 VanDerWaalsContact C-N 3.26Å; N92-G94 PolarHBondContact O-N 3.08Å; N92-G94 PolarHBondContact OD1-N 3.48Å; G94-Y96 PolarHBondContact O-N 2.96Å; G94-Q99 PolarHBondContact O-NE2 3.15Å
95G86.1Confident82.4Confident19 Ų1975.4 Ų75.420%0.19639%0.394CS..THydrogen-bonded Turntrans64.110.5-165.100000114.6D93 P97 R98 Q99D93-G95 PolarHBondContact O-N 3.47Å; D93-G95 WeakPolarHBondContact OD1-CA 3.49Å; D93-G95 PolarHBondContact OD1-N 3.01Å; G95-P97 VanDerWaalsContact C-CD 3.41Å; G95-R98 PolarHBondContact O-N 3.42Å; G95-R98 VanDerWaalsContact O-N 3.08Å; G95-Q99 PolarHBondContact O-N 3.42Å
96Y91.9Very high83.5Confident69 Ų6973.3 Ų73.327%0.27139%0.389SS..Hα-helixtrans-57.3-37.2-177.8-59.3-50.2000114.2D93 G94 R98 Q99 L100 L119 I126D93-Y96 WeakPolarHBondContact O-CB 3.43Å; D93-Y96 WeakPolarHBondContact O-CD2 3.35Å; D93-Y96 PolarHBondContact O-N 3.44Å; G94-Y96 PolarHBondContact O-N 2.96Å; Y96-R98 VanDerWaalsContact C-N 3.29Å; Y96-R98 PolarHBondContact O-N 3.15Å; Y96-Q99 PolarHBondContact O-N 2.69Å; Y96-L100 VanDerWaalsContact O-CB 3.31Å; Y96-L100 WeakPolarHBondContact O-CB 3.38Å; Y96-L100 PolarHBondContact O-N 3Å; Y96-L119 HydrophobicContact CD1-CD2 3.72Å; Y96-L119 HydrophobicContact CE1-CD2 4.41Å; Y96-I126 HydrophobicContact CD2-CD1 3.84Å; Y96-I126 HydrophobicContact CE2-CD1 3.87Å
97P91.1Very high84.2Confident7 Ų776.5 Ų76.55%0.04542%0.416CS..Hα-helixtrans-60.2-37.6174.7-22.332.6000112.9D93 G95 A101 L123 F601D93-P97 HydrophobicContact CB-CG 4.24Å; D93-P97 VanDerWaalsContact OD2-CD 3.22Å; D93-P97 WeakPolarHBondContact OD2-CD 3.45Å; D93-P97 WeakPolarHBondContact OD2-CG 3.43Å; G95-P97 VanDerWaalsContact C-CD 3.41Å; P97-A101 WeakPolarHBondContact O-CB 3.42Å; P97-A101 PolarHBondContact O-N 3.1Å; P97-L123 HydrophobicContact CB-CD2 4.31Å; P97-L123 HydrophobicContact CG-CD1 4Å; P97-L123 HydrophobicContact CG-CD2 3.8Å; P97-F601 HydrophobicContact CG-CD1 3.59Å; P97-F601 HydrophobicContact CG-CE1 3.65Å
98R91.7Very high84.9Confident173 Ų17374.2 Ų74.265%0.65341%0.407SS*.Hα-helixtrans-72.8-43.1177.9-67.3177.2175.9152.10.4111.6G95 Y96 L100 A101 C102G95-R98 PolarHBondContact O-N 3.42Å; G95-R98 VanDerWaalsContact O-N 3.08Å; Y96-R98 VanDerWaalsContact C-N 3.29Å; Y96-R98 PolarHBondContact O-N 3.15Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.49Å; R98-A101 WeakPolarHBondContact O-CB 3.4Å; R98-A101 PolarHBondContact O-N 2.91Å; R98-C102 PolarHBondContact O-N 3.26Å; R98-C102 VanDerWaalsContact O-N 3.09Å; R98-C102 PolarHBondContact O-SG 3.48Å; R98-C102 VanDerWaalsContact O-SG 3.39Å
99Q93Very high85.7Confident81 Ų8172.1 Ų72.138%0.37940%0.397SS..Hα-helixtrans-59.3-44.3173.7-65.2174.440.100111G94 G95 Y96 A101 C102 L103 L119G94-Q99 PolarHBondContact O-NE2 3.15Å; G95-Q99 PolarHBondContact O-N 3.42Å; Y96-Q99 PolarHBondContact O-N 2.69Å; Q99-A101 PolarHBondContact O-N 3.31Å; Q99-C102 PolarHBondContact O-N 2.9Å; Q99-L103 PolarHBondContact O-N 3.3Å; Q99-L119 HydrophobicContact CB-CD1 3.64Å; Q99-L119 HydrophobicContact CB-CD2 4.25Å
100L92.7Very high86.2Confident0 Ų072.8 Ų72.80%040%0.398CS..Hα-helixtrans-65.6-39.5179.1-176.259.4000111.2Y96 R98 L103 L104 R116 L119 I120 L597 I598Y96-L100 VanDerWaalsContact O-CB 3.31Å; Y96-L100 WeakPolarHBondContact O-CB 3.38Å; Y96-L100 PolarHBondContact O-N 3Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.49Å; L100-L103 PolarHBondContact O-N 2.96Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 2.97Å; L100-R116 HydrophobicContact CD1-CB 3.89Å; L100-R116 HydrophobicContact CD1-CG 3.89Å; L100-L119 HydrophobicContact CB-CB 4.33Å; L100-L119 HydrophobicContact CB-CD1 3.99Å; L100-L119 HydrophobicContact CD1-CB 4.25Å; L100-L119 HydrophobicContact CD1-CD1 4.42Å; L100-I120 HydrophobicContact CD1-CG1 4.41Å; L100-I120 HydrophobicContact CD2-CG1 3.94Å; L100-L597 HydrophobicContact CD2-CD2 4.05Å; L100-I598 HydrophobicContact CB-CD1 4.2Å; L100-I598 HydrophobicContact CD2-CD1 4.19Å; L100-I598 HydrophobicContact CD2-CG1 3.97Å; L100-I598 HydrophobicContact CG-CD1 4.01Å; L100-I598 HydrophobicContact CG-CG1 4.33Å
101A91.9Very high87Confident40 Ų4072.3 Ų72.333%0.33139%0.393SS..Hα-helixtrans-58.2-47.1173.700000112.3P97 R98 Q99 L103 L104 I598P97-A101 WeakPolarHBondContact O-CB 3.42Å; P97-A101 PolarHBondContact O-N 3.1Å; R98-A101 WeakPolarHBondContact O-CB 3.4Å; R98-A101 PolarHBondContact O-N 2.91Å; Q99-A101 PolarHBondContact O-N 3.31Å; A101-L103 VanDerWaalsContact C-N 3.26Å; A101-L103 PolarHBondContact O-N 2.98Å; A101-L104 VanDerWaalsContact O-CB 3.29Å; A101-L104 WeakPolarHBondContact O-CB 3.39Å; A101-L104 PolarHBondContact O-N 3.49Å; A101-I598 HydrophobicContact CB-CD1 4.13Å
102C91.6Very high87.6Confident84 Ų8470.8 Ų70.857%0.56838%0.383SS*.Hα-helixtrans-61.2-31.9176.6-63.80000113R98 Q99 L104R98-C102 PolarHBondContact O-N 3.26Å; R98-C102 VanDerWaalsContact O-N 3.09Å; R98-C102 PolarHBondContact O-SG 3.48Å; R98-C102 VanDerWaalsContact O-SG 3.39Å; Q99-C102 PolarHBondContact O-N 2.9Å; C102-L104 PolarHBondContact O-N 3.27Å
103L90.1Very high88.1Confident28 Ų2864.2 Ų64.215%0.14735%0.348CS..THydrogen-bonded Turntrans-72.3-11.1174.1-63.4-176.4000113.8Q99 L100 A101 L106 E115 R116 L119Q99-L103 PolarHBondContact O-N 3.3Å; L100-L103 PolarHBondContact O-N 2.96Å; A101-L103 VanDerWaalsContact C-N 3.26Å; A101-L103 PolarHBondContact O-N 2.98Å; L103-L106 HydrophobicContact CD2-CD1 3.67Å; L103-E115 HydrophobicContact CD1-CB 3.7Å; L103-R116 HydrophobicContact CB-CG 3.75Å; L103-R116 HydrophobicContact CD1-CG 3.9Å; L103-R116 VanDerWaalsContact O-CZ 3.3Å; L103-R116 PolarHBondContact O-NE 2.99Å; L103-R116 PolarHBondContact O-NH2 3.06Å; L103-L119 HydrophobicContact CD1-CD1 3.63Å; L103-L119 HydrophobicContact CG-CD1 4.38Å
104L88.5Confident88.6Confident33 Ų3366.8 Ų66.817%0.17336%0.359CS..THydrogen-bonded Turntrans-75.5-29.3177-60.9175000112.7L100 A101 C102 L106 R116 T591 Q595 I598L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 2.97Å; A101-L104 VanDerWaalsContact O-CB 3.29Å; A101-L104 WeakPolarHBondContact O-CB 3.39Å; A101-L104 PolarHBondContact O-N 3.49Å; C102-L104 PolarHBondContact O-N 3.27Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L104-R116 PolarHBondContact O-NH2 3.18Å; L104-T591 HydrophobicContact CD2-CG2 4.06Å; L104-Q595 HydrophobicContact CD1-CG 3.53Å; L104-I598 HydrophobicContact CD1-CD1 4.06Å
105E85.5Confident89.2Confident176 Ų17668.8 Ų68.882%0.82236%0.359SS*.SBendtrans-79.7-13.2-179.5-60.9178.1-178.800113
106L87.4Confident89.6Confident86 Ų8667.9 Ų67.945%0.4535%0.35SS..SBendtrans-80.6144.7-178.7-62.5-178.8000113.2L103 L104 V112L103-L106 HydrophobicContact CD2-CD1 3.67Å; L104-L106 VanDerWaalsContact C-N 3.31Å; L106-V112 HydrophobicContact CB-CG1 4.07Å; L106-V112 HydrophobicContact CB-CG2 4.07Å; L106-V112 HydrophobicContact CD1-CG2 4.05Å
107A82.5Confident89.6Confident75 Ų7564.7 Ų64.762%0.6234%0.337SS*.PPolyproline II helixtrans-62.3150-17900000113.5S109A107-S109 PolarHBondContact O-N 2.96Å; A107-S109 VanDerWaalsContact O-N 3.16Å
108P83Confident89.8Confident71 Ų7169.4 Ų69.446%0.46135%0.354SS..PPolyproline II helixtrans-57117.1-178.5-25.634.4000114F587P108-F587 HydrophobicContact CB-CB 4.35Å; P108-F587 HydrophobicContact CB-CD1 3.8Å; P108-F587 HydrophobicContact CB-CD2 4.16Å; P108-F587 HydrophobicContact CB-CE1 4.03Å; P108-F587 HydrophobicContact CB-CE2 4.41Å; P108-F587 HydrophobicContact CB-CG 3.86Å; P108-F587 HydrophobicContact CB-CZ 4.34Å; P108-F587 HydrophobicContact CG-CD1 3.72Å; P108-F587 HydrophobicContact CG-CE1 3.86Å; P108-F587 HydrophobicContact CG-CG 4.28Å
109S85.7Confident90Very high44 Ų4461.2 Ų61.231%0.30832%0.323SS..  trans-153.2156.717165.40000111.2A107 K111 V112 F113A107-S109 PolarHBondContact O-N 2.96Å; A107-S109 VanDerWaalsContact O-N 3.16Å; S109-K111 VanDerWaalsContact C-N 3.35Å; S109-K111 PolarHBondContact O-N 3.41Å; S109-V112 PolarHBondContact O-N 3.08Å; S109-V112 WeakPolarHBondContact OG-CB 3.38Å; S109-V112 VanDerWaalsContact OG-CG2 3.25Å; S109-V112 WeakPolarHBondContact OG-CG2 3.4Å; S109-V112 PolarHBondContact OG-N 3.23Å; S109-F113 PolarHBondContact O-N 3.19Å
110E84.8Confident90.1Very high99 Ų9957.4 Ų57.446%0.46331%0.305SS..Hα-helixtrans-57.9-44.5179-171.1172-165.400111.8V112 F113 E114 F571E110-V112 PolarHBondContact O-N 3.04Å; E110-F113 WeakPolarHBondContact O-CB 3.38Å; E110-F113 PolarHBondContact O-N 3.09Å; E110-E114 WeakPolarHBondContact O-CB 3.49Å; E110-E114 PolarHBondContact O-N 3.47Å; E110-F571 HydrophobicContact CG-CE2 4.27Å
111K88.5Confident90.3Very high163 Ų16362.7 Ų62.771%0.70933%0.325SS*.Hα-helixtrans-62.1-39.2175.7-74.1-168171.8-169.60113.8S109 F113 E114 E115S109-K111 VanDerWaalsContact C-N 3.35Å; S109-K111 PolarHBondContact O-N 3.41Å; K111-F113 VanDerWaalsContact C-N 3.34Å; K111-E114 PolarHBondContact O-N 2.87Å; K111-E115 WeakPolarHBondContact O-CB 3.26Å; K111-E115 PolarHBondContact O-N 2.82Å
112V90.4Very high90.3Very high18 Ų1862.3 Ų62.311%0.10932%0.321CS..Hα-helixtrans-69-35.9176.5172.30000110.6L106 S109 E110 R116 F587L106-V112 HydrophobicContact CB-CG1 4.07Å; L106-V112 HydrophobicContact CB-CG2 4.07Å; L106-V112 HydrophobicContact CD1-CG2 4.05Å; S109-V112 PolarHBondContact O-N 3.08Å; S109-V112 WeakPolarHBondContact OG-CB 3.38Å; S109-V112 VanDerWaalsContact OG-CG2 3.25Å; S109-V112 WeakPolarHBondContact OG-CG2 3.4Å; S109-V112 PolarHBondContact OG-N 3.23Å; E110-V112 PolarHBondContact O-N 3.04Å; V112-R116 WeakPolarHBondContact O-CB 3.24Å; V112-R116 VanDerWaalsContact O-CG 3.22Å; V112-R116 WeakPolarHBondContact O-CG 3.49Å; V112-R116 PolarHBondContact O-N 2.91Å; V112-F587 HydrophobicContact CB-CE2 4.12Å; V112-F587 HydrophobicContact CB-CZ 4.33Å; V112-F587 HydrophobicContact CG1-CE2 3.86Å; V112-F587 HydrophobicContact CG1-CZ 3.7Å
113F91.6Very high90.5Very high0 Ų058.4 Ų58.40%029%0.294CS..Hα-helixtrans-64.2-45172.2-159.7-63.7000111.3S109 E110 K111 R116 L117 A570 F571 I574 F587 N590S109-F113 PolarHBondContact O-N 3.19Å; E110-F113 WeakPolarHBondContact O-CB 3.38Å; E110-F113 PolarHBondContact O-N 3.09Å; K111-F113 VanDerWaalsContact C-N 3.34Å; F113-R116 PolarHBondContact O-N 3.32Å; F113-L117 WeakPolarHBondContact O-CB 3.45Å; F113-L117 PolarHBondContact O-N 3.5Å; F113-A570 HydrophobicContact CZ-CB 3.94Å; F113-F571 HydrophobicContact CB-CD2 4.41Å; F113-F571 HydrophobicContact CD1-CB 4.02Å; F113-F571 AromaticContact CD1-CD2 3.56Å; F113-F571 HydrophobicContact CD1-CD2 3.56Å; F113-F571 HydrophobicContact CD1-CE2 4.39Å; F113-F571 HydrophobicContact CD1-CG 4.13Å; F113-F571 HydrophobicContact CE1-CB 3.75Å; F113-F571 HydrophobicContact CE1-CD2 4.17Å; F113-F571 HydrophobicContact CE1-CG 4.37Å; F113-F571 HydrophobicContact CG-CD2 4.2Å; F113-I574 HydrophobicContact CD2-CD1 3.89Å; F113-I574 HydrophobicContact CE2-CD1 3.76Å; F113-I574 HydrophobicContact CG-CD1 4.42Å; F113-I574 HydrophobicContact CZ-CD1 4.22Å; F113-F587 HydrophobicContact CB-CD2 4.32Å; F113-F587 HydrophobicContact CB-CE2 4.46Å; F113-F587 AromaticContact CD2-CD2 3.98Å; F113-F587 HydrophobicContact CD2-CD2 3.98Å; F113-N590 HydrophobicContact CD2-CB 4.12Å; F113-N590 HydrophobicContact CE1-CB 4.49Å; F113-N590 HydrophobicContact CE2-CB 3.36Å; F113-N590 HydrophobicContact CZ-CB 3.58Å
114E92Very high90.7Very high102 Ų10257.1 Ų57.148%0.47729%0.287SS..Hα-helixtrans-59.6-46.8178-172.5170.4-149.700112E110 K111 L117 R118 F571E110-E114 WeakPolarHBondContact O-CB 3.49Å; E110-E114 PolarHBondContact O-N 3.47Å; K111-E114 PolarHBondContact O-N 2.87Å; E114-L117 CarbonylContact O-C 3.4Å; E114-L117 WeakPolarHBondContact O-CB 3.09Å; E114-L117 PolarHBondContact O-N 3.1Å; E114-R118 PolarHBondContact O-N 2.94Å; E114-F571 HydrophobicContact CB-CE2 3.85Å; E114-F571 HydrophobicContact CB-CZ 3.62Å; E114-F571 HydrophobicContact CG-CE1 4.28Å; E114-F571 HydrophobicContact CG-CE2 4.44Å; E114-F571 HydrophobicContact CG-CZ 3.72Å
115E93.2Very high91Very high77 Ų7758.7 Ų58.736%0.3630%0.299SS..Hα-helixtrans-64.9-42176.4-83.6-64136.500112.7L103 K111 L117 R118 L119L103-E115 HydrophobicContact CD1-CB 3.7Å; K111-E115 WeakPolarHBondContact O-CB 3.26Å; K111-E115 PolarHBondContact O-N 2.82Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 2.98Å; E115-R118 VanDerWaalsContact CD-NE 3.34Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 3.41Å; E115-R118 IonicContact OE1-NE 3.1Å; E115-R118 PolarHBondContact OE1-NE 3.08Å; E115-R118 VanDerWaalsContact OE1-NE 3.1Å; E115-R118 IonicContact OE2-CZ 3.19Å; E115-R118 IonicContact OE2-NE 2.89Å; E115-R118 PolarHBondContact OE2-NE 3.31Å; E115-R118 IonicContact OE2-NH2 2.67Å; E115-R118 PolarHBondContact OE2-NH2 3.44Å; E115-L119 WeakPolarHBondContact O-CG 3.09Å; E115-L119 PolarHBondContact O-N 3.12Å
116R93.9Very high91.4Very high0 Ų051.7 Ų51.70%027%0.267CS..Hα-helixtrans-58.3-43.2171.3-72.3173.8-176.3-170.32111.2L100 L103 L104 V112 F113 L119 I120 F587 N590 T591L100-R116 HydrophobicContact CD1-CB 3.89Å; L100-R116 HydrophobicContact CD1-CG 3.89Å; L103-R116 HydrophobicContact CB-CG 3.75Å; L103-R116 HydrophobicContact CD1-CG 3.9Å; L103-R116 VanDerWaalsContact O-CZ 3.3Å; L103-R116 PolarHBondContact O-NE 2.99Å; L103-R116 PolarHBondContact O-NH2 3.06Å; L104-R116 PolarHBondContact O-NH2 3.18Å; V112-R116 WeakPolarHBondContact O-CB 3.24Å; V112-R116 VanDerWaalsContact O-CG 3.22Å; V112-R116 WeakPolarHBondContact O-CG 3.49Å; V112-R116 PolarHBondContact O-N 2.91Å; F113-R116 PolarHBondContact O-N 3.32Å; R116-L119 PolarHBondContact O-N 2.85Å; R116-I120 WeakPolarHBondContact O-CB 3.4Å; R116-I120 VanDerWaalsContact O-CG1 3.24Å; R116-I120 WeakPolarHBondContact O-CG1 3.35Å; R116-I120 PolarHBondContact O-N 3.43Å; R116-F587 VanDerWaalsContact NH2-CE1 3.26Å; R116-N590 WeakPolarHBondContact CD-OD1 3.48Å; R116-N590 PolarHBondContact NH1-OD1 2.88Å; R116-T591 PolarHBondContact NH1-OG1 3.37Å
117L93.5Very high91.7Very high2 Ų247.6 Ų47.61%0.0125%0.246CC..Hα-helixtrans-66.9-36.6178.6-177.858.4000112.4F113 E114 E115 I120 R121 F571F113-L117 WeakPolarHBondContact O-CB 3.45Å; F113-L117 PolarHBondContact O-N 3.5Å; E114-L117 CarbonylContact O-C 3.4Å; E114-L117 WeakPolarHBondContact O-CB 3.09Å; E114-L117 PolarHBondContact O-N 3.1Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 2.98Å; L117-I120 PolarHBondContact O-N 3.45Å; L117-R121 HydrophobicContact CD1-CG 4.43Å; L117-R121 WeakPolarHBondContact O-CB 3.42Å; L117-R121 VanDerWaalsContact O-CG 3.3Å; L117-R121 WeakPolarHBondContact O-CG 3.43Å; L117-R121 PolarHBondContact O-N 3.31Å; L117-F571 HydrophobicContact CD2-CB 3.64Å; L117-F571 HydrophobicContact CD2-CD1 3.62Å; L117-F571 HydrophobicContact CD2-CE1 4.41Å; L117-F571 HydrophobicContact CD2-CG 3.73Å
118R95.3Very high92.3Very high105 Ų10549.1 Ų49.140%0.39624%0.236SC..Hα-helixtrans-60.5-45.4172.2-172.2-174.165.370.42.9111.3E114 E115 S122E114-R118 PolarHBondContact O-N 2.94Å; E115-R118 VanDerWaalsContact CD-NE 3.34Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 3.41Å; E115-R118 IonicContact OE1-NE 3.1Å; E115-R118 PolarHBondContact OE1-NE 3.08Å; E115-R118 VanDerWaalsContact OE1-NE 3.1Å; E115-R118 IonicContact OE2-CZ 3.19Å; E115-R118 IonicContact OE2-NE 2.89Å; E115-R118 PolarHBondContact OE2-NE 3.31Å; E115-R118 IonicContact OE2-NH2 2.67Å; E115-R118 PolarHBondContact OE2-NH2 3.44Å; R118-S122 PolarHBondContact O-N 2.93Å; R118-S122 VanDerWaalsContact O-N 3.11Å; R118-S122 PolarHBondContact O-OG 3.34Å
119L95.4Very high92.8Very high2 Ų252.3 Ų52.31%0.0125%0.245CC..Hα-helixtrans-68.6-41.9177-66-179000112.5Y96 Q99 L100 L103 E115 R116 R121 S122 L123Y96-L119 HydrophobicContact CD1-CD2 3.72Å; Y96-L119 HydrophobicContact CE1-CD2 4.41Å; Q99-L119 HydrophobicContact CB-CD1 3.64Å; Q99-L119 HydrophobicContact CB-CD2 4.25Å; L100-L119 HydrophobicContact CB-CB 4.33Å; L100-L119 HydrophobicContact CB-CD1 3.99Å; L100-L119 HydrophobicContact CD1-CB 4.25Å; L100-L119 HydrophobicContact CD1-CD1 4.42Å; L103-L119 HydrophobicContact CD1-CD1 3.63Å; L103-L119 HydrophobicContact CG-CD1 4.38Å; E115-L119 WeakPolarHBondContact O-CG 3.09Å; E115-L119 PolarHBondContact O-N 3.12Å; R116-L119 PolarHBondContact O-N 2.85Å; L119-R121 VanDerWaalsContact C-N 3.33Å; L119-R121 PolarHBondContact O-N 3.47Å; L119-S122 WeakPolarHBondContact O-CB 3.32Å; L119-S122 PolarHBondContact O-N 2.88Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 PolarHBondContact O-N 3.34Å
120I95.4Very high93.2Very high0 Ų050.4 Ų50.40%023%0.231CC..Hα-helixtrans-58.3-44.4174.9-73.3165.6000111.2L100 R116 L117 S122 L123 T124 E564 L597L100-I120 HydrophobicContact CD1-CG1 4.41Å; L100-I120 HydrophobicContact CD2-CG1 3.94Å; R116-I120 WeakPolarHBondContact O-CB 3.4Å; R116-I120 VanDerWaalsContact O-CG1 3.24Å; R116-I120 WeakPolarHBondContact O-CG1 3.35Å; R116-I120 PolarHBondContact O-N 3.43Å; L117-I120 PolarHBondContact O-N 3.45Å; I120-S122 VanDerWaalsContact C-N 3.26Å; I120-S122 PolarHBondContact O-N 3.48Å; I120-L123 PolarHBondContact O-N 2.64Å; I120-T124 WeakPolarHBondContact O-CB 3.43Å; I120-T124 PolarHBondContact O-N 3.07Å; I120-T124 PolarHBondContact O-OG1 3.01Å; I120-E564 HydrophobicContact CG2-CB 3.99Å; I120-E564 HydrophobicContact CG2-CG 4.2Å; I120-L597 HydrophobicContact CG1-CD1 4.27Å; I120-L597 HydrophobicContact CG2-CD1 3.85Å
121R95.3Very high93.7Very high111 Ų11145.9 Ų45.942%0.41921%0.211SC..Hα-helixtrans-65.9-25.8174.8-74.3172.6176.8159.90.9113.7L117 L119 P125 E564 T568L117-R121 HydrophobicContact CD1-CG 4.43Å; L117-R121 WeakPolarHBondContact O-CB 3.42Å; L117-R121 VanDerWaalsContact O-CG 3.3Å; L117-R121 WeakPolarHBondContact O-CG 3.43Å; L117-R121 PolarHBondContact O-N 3.31Å; L119-R121 VanDerWaalsContact C-N 3.33Å; L119-R121 PolarHBondContact O-N 3.47Å; R121-P125 WeakPolarHBondContact O-CD 3.38Å; R121-P125 WeakPolarHBondContact O-CG 3.32Å; R121-E564 HydrophobicContact CG-CG 4.15Å; R121-T568 VanDerWaalsContact NH2-CG2 3.32Å; R121-T568 PolarHBondContact NH2-OG1 3.24Å
122S93.8Very high94Very high33 Ų3342.6 Ų42.623%0.23120%0.201CC..Hα-helixtrans-80.3-36.7175.9-53.20000111.9R118 L119 I120 P125 I126R118-S122 PolarHBondContact O-N 2.93Å; R118-S122 VanDerWaalsContact O-N 3.11Å; R118-S122 PolarHBondContact O-OG 3.34Å; L119-S122 WeakPolarHBondContact O-CB 3.32Å; L119-S122 PolarHBondContact O-N 2.88Å; I120-S122 VanDerWaalsContact C-N 3.26Å; I120-S122 PolarHBondContact O-N 3.48Å; S122-P125 WeakPolarHBondContact O-CG 3.21Å; S122-I126 WeakPolarHBondContact O-CD1 3.31Å
123L94.1Very high94.1Very high1 Ų142.7 Ų42.71%0.00520%0.204CC..Hα-helixtrans-87.4-29.7-174.7-171.655.4000113.8P97 L119 I120 I126 G127 M560 L597 F601P97-L123 HydrophobicContact CB-CD2 4.31Å; P97-L123 HydrophobicContact CG-CD1 4Å; P97-L123 HydrophobicContact CG-CD2 3.8Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 PolarHBondContact O-N 3.34Å; I120-L123 PolarHBondContact O-N 2.64Å; L123-I126 PolarHBondContact O-N 2.96Å; L123-G127 PolarHBondContact O-N 3Å; L123-M560 HydrophobicContact CG-CE 4.21Å; L123-L597 HydrophobicContact CB-CD2 4.49Å; L123-L597 HydrophobicContact CD2-CD2 3.67Å; L123-L597 HydrophobicContact CG-CD2 4.21Å; L123-F601 HydrophobicContact CD1-CD1 3.92Å; L123-F601 HydrophobicContact CD1-CD2 3.66Å; L123-F601 HydrophobicContact CD1-CE1 3.78Å; L123-F601 HydrophobicContact CD1-CE2 3.52Å; L123-F601 HydrophobicContact CD1-CG 3.84Å; L123-F601 HydrophobicContact CD1-CZ 3.57Å; L123-F601 HydrophobicContact CD2-CB 4.47Å; L123-F601 HydrophobicContact CD2-CD1 4.47Å; L123-F601 HydrophobicContact CD2-CG 4.29Å; L123-F601 HydrophobicContact CG-CD2 4.09Å; L123-F601 HydrophobicContact CG-CE2 4.4Å; L123-F601 HydrophobicContact CG-CG 4.15Å
124T94.8Very high94.2Very high1 Ų142.7 Ų42.71%0.00620%0.204CC..Hα-helixtrans-61.3-42.7178-55.30000114.9I120 G127 R128 M560 I561 E564I120-T124 WeakPolarHBondContact O-CB 3.43Å; I120-T124 PolarHBondContact O-N 3.07Å; I120-T124 PolarHBondContact O-OG1 3.01Å; T124-G127 PolarHBondContact O-N 2.78Å; T124-R128 PolarHBondContact O-N 3.26Å; T124-M560 HydrophobicContact CG2-CB 4.22Å; T124-I561 HydrophobicContact CG2-CB 4.49Å; T124-I561 HydrophobicContact CG2-CG1 3.88Å; T124-E564 HydrophobicContact CG2-CB 4.15Å; T124-E564 WeakPolarHBondContact CG2-OE2 3.33Å
125P94.1Very high94.3Very high66 Ų6640.5 Ų40.543%0.42919%0.194SC..Hα-helixtrans-65.8-37.2173.524.5-33.3000112.7R121 S122 G127 R128 E129R121-P125 WeakPolarHBondContact O-CD 3.38Å; R121-P125 WeakPolarHBondContact O-CG 3.32Å; S122-P125 WeakPolarHBondContact O-CG 3.21Å; P125-G127 VanDerWaalsContact C-N 3.35Å; P125-G127 PolarHBondContact O-N 3.22Å; P125-R128 WeakPolarHBondContact O-CB 3.49Å; P125-R128 PolarHBondContact O-N 3.49Å; P125-R128 VanDerWaalsContact O-N 3.15Å; P125-E129 PolarHBondContact O-N 3.45Å
126I94.4Very high94.3Very high30 Ų3041.9 Ų41.915%0.15420%0.2CC..Hα-helixtrans-63.5-42.4176.2-55.4172.3000110.3V91 Y96 S122 L123 R128 E129 A130 F601V91-I126 HydrophobicContact CG1-CG2 3.64Å; Y96-I126 HydrophobicContact CD2-CD1 3.84Å; Y96-I126 HydrophobicContact CE2-CD1 3.87Å; S122-I126 WeakPolarHBondContact O-CD1 3.31Å; L123-I126 PolarHBondContact O-N 2.96Å; I126-R128 PolarHBondContact O-N 3.5Å; I126-E129 PolarHBondContact O-N 3.37Å; I126-A130 WeakPolarHBondContact O-CB 3.44Å; I126-A130 PolarHBondContact O-N 2.93Å; I126-F601 HydrophobicContact CB-CE2 4.33Å; I126-F601 HydrophobicContact CG2-CE2 3.93Å; I126-F601 HydrophobicContact CG2-CZ 4.09Å
127G94.5Very high94.2Very high0 Ų042 Ų420%020%0.201CC..Hα-helixtrans-61-40.7172.200000112.8L123 T124 P125 E129 A130 A131 L604L123-G127 PolarHBondContact O-N 3Å; T124-G127 PolarHBondContact O-N 2.78Å; P125-G127 VanDerWaalsContact C-N 3.35Å; P125-G127 PolarHBondContact O-N 3.22Å; G127-E129 PolarHBondContact O-N 2.94Å; G127-A130 PolarHBondContact O-N 2.98Å; G127-A131 PolarHBondContact O-N 3.36Å; G127-A131 VanDerWaalsContact O-N 3.07Å; G127-L604 WeakPolarHBondContact O-CD2 3.49Å
128R95Very high94.2Very high106 Ų10642 Ų4240%0.420%0.201SC..Hα-helixtrans-62.1-42.9174.1-170.5-165.8-57.6-982.5111.8T124 P125 I126 A131 N132T124-R128 PolarHBondContact O-N 3.26Å; P125-R128 WeakPolarHBondContact O-CB 3.49Å; P125-R128 PolarHBondContact O-N 3.49Å; P125-R128 VanDerWaalsContact O-N 3.15Å; I126-R128 PolarHBondContact O-N 3.5Å; R128-A131 PolarHBondContact O-N 3.48Å; R128-N132 PolarHBondContact O-N 3.42Å; R128-N132 PolarHBondContact O-OD1 2.73Å
129E93.6Very high94.1Very high139 Ų13940.1 Ų40.165%0.6520%0.203SC*.Hα-helixtrans-66.5-41.7179.1-172.1164.9-15200112.1P125 I126 G127 A131 N132 A133P125-E129 PolarHBondContact O-N 3.45Å; I126-E129 PolarHBondContact O-N 3.37Å; G127-E129 PolarHBondContact O-N 2.94Å; E129-A131 VanDerWaalsContact C-N 3.34Å; E129-A131 PolarHBondContact O-N 2.94Å; E129-N132 WeakPolarHBondContact O-CB 3.46Å; E129-N132 PolarHBondContact O-N 3.03Å; E129-A133 WeakPolarHBondContact O-CB 3.35Å; E129-A133 PolarHBondContact O-N 3.43Å
130A93.1Very high93.9Very high4 Ų440.6 Ų40.63%0.03321%0.206CC..Hα-helixtrans-60.8-39.9173.100000112.6V91 I126 G127 A133 I134 L604V91-A130 HydrophobicContact CG2-CB 4.08Å; I126-A130 WeakPolarHBondContact O-CB 3.44Å; I126-A130 PolarHBondContact O-N 2.93Å; G127-A130 PolarHBondContact O-N 2.98Å; A130-A133 PolarHBondContact O-N 2.76Å; A130-I134 WeakPolarHBondContact O-CG1 3.41Å; A130-I134 PolarHBondContact O-N 3.12Å; A130-L604 HydrophobicContact CB-CD2 3.98Å; A130-L604 HydrophobicContact CB-CG 4.25Å
131A95.5Very high93.8Very high4 Ų440.6 Ų40.63%0.03321%0.206CC..Hα-helixtrans-67.8-39.2174.600000112.8G127 R128 E129 A133 I134 E135 A557 L604G127-A131 PolarHBondContact O-N 3.36Å; G127-A131 VanDerWaalsContact O-N 3.07Å; R128-A131 PolarHBondContact O-N 3.48Å; E129-A131 VanDerWaalsContact C-N 3.34Å; E129-A131 PolarHBondContact O-N 2.94Å; A131-A133 VanDerWaalsContact C-N 3.31Å; A131-A133 PolarHBondContact O-N 2.7Å; A131-I134 PolarHBondContact O-N 3.19Å; A131-E135 PolarHBondContact O-N 3.28Å; A131-A557 HydrophobicContact CB-CB 3.6Å; A131-L604 HydrophobicContact CB-CD1 4.21Å; A131-L604 HydrophobicContact CB-CD2 4.3Å
132N94.5Very high93.7Very high94 Ų9436.6 Ų36.650%0.50319%0.19SC..Hα-helixtrans-62.2-39.9172.9-66-12.1000111.4R128 E129 E135 Q136R128-N132 PolarHBondContact O-N 3.42Å; R128-N132 PolarHBondContact O-OD1 2.73Å; E129-N132 WeakPolarHBondContact O-CB 3.46Å; E129-N132 PolarHBondContact O-N 3.03Å; N132-E135 PolarHBondContact O-N 3.02Å; N132-Q136 PolarHBondContact O-N 2.97Å
133A92.6Very high93.7Very high20 Ų2036 Ų3617%0.16518%0.184CC..Hα-helixtrans-64.3-38.8175.300000111.9L89 E129 A130 A131 Q136 L137 L608L89-A133 HydrophobicContact CD1-CB 4.15Å; E129-A133 WeakPolarHBondContact O-CB 3.35Å; E129-A133 PolarHBondContact O-N 3.43Å; A130-A133 PolarHBondContact O-N 2.76Å; A131-A133 VanDerWaalsContact C-N 3.31Å; A131-A133 PolarHBondContact O-N 2.7Å; A133-Q136 PolarHBondContact O-N 2.77Å; A133-L137 WeakPolarHBondContact O-CB 3.38Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.49Å; A133-L608 HydrophobicContact CB-CD1 4.31Å
134I94.7Very high93.6Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-62.2-44.7172.6-68.9160000111.1A130 A131 Q136 L137 V138 L550 A553 L604 I607 L608 V611A130-I134 WeakPolarHBondContact O-CG1 3.41Å; A130-I134 PolarHBondContact O-N 3.12Å; A131-I134 PolarHBondContact O-N 3.19Å; I134-Q136 PolarHBondContact O-N 2.85Å; I134-L137 PolarHBondContact O-N 3.31Å; I134-V138 WeakPolarHBondContact O-CG2 3.43Å; I134-V138 PolarHBondContact O-N 3.21Å; I134-L550 HydrophobicContact CG2-CD1 4.03Å; I134-A553 HydrophobicContact CB-CB 4.34Å; I134-A553 HydrophobicContact CD1-CB 3.7Å; I134-A553 HydrophobicContact CG2-CB 3.91Å; I134-L604 HydrophobicContact CD1-CD1 3.62Å; I134-L604 HydrophobicContact CD1-CG 4.24Å; I134-I607 HydrophobicContact CD1-CB 4.21Å; I134-I607 HydrophobicContact CD1-CG2 3.92Å; I134-I607 HydrophobicContact CG2-CG2 4.35Å; I134-L608 HydrophobicContact CD1-CB 4.04Å; I134-L608 HydrophobicContact CG1-CB 4.01Å; I134-L608 HydrophobicContact CG1-CD1 3.84Å; I134-V611 HydrophobicContact CG2-CG2 4.29Å
135E94.5Very high93.4Very high56 Ų5636.6 Ų36.626%0.26219%0.187SC..Hα-helixtrans-60.9-43.3175.4-169.9173.7179.800111.7A131 N132 S139 L550 S1851A131-E135 PolarHBondContact O-N 3.28Å; N132-E135 PolarHBondContact O-N 3.02Å; E135-S139 WeakPolarHBondContact O-CB 3.21Å; E135-S139 PolarHBondContact O-N 3.49Å; E135-L550 HydrophobicContact CB-CD1 3.85Å; E135-L550 HydrophobicContact CG-CD1 4.22Å; E135-S1851 PolarHBondContact OE1-OG 2.61Å
136Q92.3Very high93.3Very high106 Ų10634.9 Ų34.950%0.49517%0.174SC..Hα-helixtrans-61.8-48.5174.9-179.8174.6-19.900112.1N132 A133 I134 V138 S139 E140N132-Q136 PolarHBondContact O-N 2.97Å; A133-Q136 PolarHBondContact O-N 2.77Å; I134-Q136 PolarHBondContact O-N 2.85Å; Q136-V138 VanDerWaalsContact C-N 3.31Å; Q136-V138 PolarHBondContact O-N 3.48Å; Q136-S139 CarbonylContact O-C 3.56Å; Q136-S139 WeakPolarHBondContact O-CB 3.34Å; Q136-S139 PolarHBondContact O-N 3.46Å; Q136-S139 VanDerWaalsContact O-N 3.14Å; Q136-E140 HydrophobicContact CG-CG 4.22Å; Q136-E140 PolarHBondContact NE2-OE1 2.87Å; Q136-E140 WeakPolarHBondContact O-CB 3.32Å; Q136-E140 WeakPolarHBondContact O-CG 3.2Å; Q136-E140 PolarHBondContact O-N 3Å
137L92.6Very high93.2Very high3 Ų333.5 Ų33.52%0.01617%0.166CC..Hα-helixtrans-64.8-33.3-178-71.1165.3000112.9L89 A133 I134 Q141 L608 V611 M612 K615L89-L137 HydrophobicContact CD1-CD1 4.28Å; L89-L137 HydrophobicContact CD1-CD2 4.42Å; L89-L137 HydrophobicContact CD1-CG 4.44Å; A133-L137 WeakPolarHBondContact O-CB 3.38Å; A133-L137 WeakPolarHBondContact O-CG 3.49Å; A133-L137 PolarHBondContact O-N 3.49Å; I134-L137 PolarHBondContact O-N 3.31Å; L137-Q141 WeakPolarHBondContact O-CB 3.23Å; L137-Q141 VanDerWaalsContact O-CG 3.31Å; L137-Q141 WeakPolarHBondContact O-CG 3.37Å; L137-Q141 PolarHBondContact O-N 3.5Å; L137-Q141 PolarHBondContact O-NE2 3.06Å; L137-Q141 VanDerWaalsContact O-NE2 3.1Å; L137-L608 HydrophobicContact CD1-CD1 3.5Å; L137-L608 VanDerWaalsContact CD1-CD1 3.5Å; L137-V611 HydrophobicContact CB-CG1 3.63Å; L137-V611 HydrophobicContact CD1-CG1 4.24Å; L137-M612 HydrophobicContact CD1-CE 3.71Å; L137-M612 HydrophobicContact CD2-CE 3.67Å; L137-M612 HydrophobicContact CD2-SD 4.45Å; L137-M612 HydrophobicContact CG-CE 4.35Å; L137-K615 HydrophobicContact CD2-CD 3.67Å
138V93.4Very high93.1Very high1 Ų133.6 Ų33.61%0.00617%0.167CC..Hα-helixtrans-73.2-38.9172.9173.40000110.7I134 Q136 Q141 R142 L546 L550 V611I134-V138 WeakPolarHBondContact O-CG2 3.43Å; I134-V138 PolarHBondContact O-N 3.21Å; Q136-V138 VanDerWaalsContact C-N 3.31Å; Q136-V138 PolarHBondContact O-N 3.48Å; V138-Q141 PolarHBondContact O-N 3.44Å; V138-R142 WeakPolarHBondContact O-CG 3.31Å; V138-R142 PolarHBondContact O-N 3.07Å; V138-L546 HydrophobicContact CG1-CB 4.32Å; V138-L546 HydrophobicContact CG2-CB 4.23Å; V138-L550 HydrophobicContact CB-CD2 4.21Å; V138-L550 HydrophobicContact CG1-CD2 3.92Å; V138-L550 HydrophobicContact CG2-CB 4.49Å; V138-V611 HydrophobicContact CG2-CG1 3.84Å; V138-V611 HydrophobicContact CG2-CG2 4.46Å
139S92Very high92.8Very high65 Ų6530.7 Ų30.746%0.45516%0.162SC..Hα-helixtrans-63.9-38.7173.4-171.70000112.4E135 Q136 R142 Q143E135-S139 WeakPolarHBondContact O-CB 3.21Å; E135-S139 PolarHBondContact O-N 3.49Å; Q136-S139 CarbonylContact O-C 3.56Å; Q136-S139 WeakPolarHBondContact O-CB 3.34Å; Q136-S139 PolarHBondContact O-N 3.46Å; Q136-S139 VanDerWaalsContact O-N 3.14Å; S139-R142 PolarHBondContact O-N 3.38Å; S139-Q143 PolarHBondContact O-N 3.25Å
140E92.9Very high92.8Very high12 Ų1224.1 Ų24.16%0.05613%0.132CC..Hα-helixtrans-69.5-41.7176.5-74.7174.2165.200111.5F4 Q136 R142 Q143 M144 K615F4-E140 HydrophobicContact CE2-CG 4.48Å; Q136-E140 HydrophobicContact CG-CG 4.22Å; Q136-E140 PolarHBondContact NE2-OE1 2.87Å; Q136-E140 WeakPolarHBondContact O-CB 3.32Å; Q136-E140 WeakPolarHBondContact O-CG 3.2Å; Q136-E140 PolarHBondContact O-N 3Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 3.03Å; E140-Q143 PolarHBondContact O-N 3.28Å; E140-Q143 VanDerWaalsContact O-N 3.11Å; E140-M144 VanDerWaalsContact O-CG 3.31Å; E140-M144 WeakPolarHBondContact O-CG 3.35Å; E140-M144 PolarHBondContact O-N 2.82Å; E140-K615 IonicContact OE2-NZ 2.85Å; E140-K615 PolarHBondContact OE2-NZ 3.06Å
141Q93.2Very high92.7Very high0 Ų024.3 Ų24.30%013%0.133CC..Hα-helixtrans-61-38.3172.6-77173.888.200112.3L137 V138 M144 I145 L546 V611 S614 K615 L618L137-Q141 WeakPolarHBondContact O-CB 3.23Å; L137-Q141 VanDerWaalsContact O-CG 3.31Å; L137-Q141 WeakPolarHBondContact O-CG 3.37Å; L137-Q141 PolarHBondContact O-N 3.5Å; L137-Q141 PolarHBondContact O-NE2 3.06Å; L137-Q141 VanDerWaalsContact O-NE2 3.1Å; V138-Q141 PolarHBondContact O-N 3.44Å; Q141-M144 PolarHBondContact O-N 3.36Å; Q141-I145 WeakPolarHBondContact O-CG1 3.46Å; Q141-I145 PolarHBondContact O-N 3.03Å; Q141-I145 VanDerWaalsContact O-N 3.09Å; Q141-L546 HydrophobicContact CB-CD1 4.37Å; Q141-V611 PolarHBondContact NE2-O 3.32Å; Q141-V611 VanDerWaalsContact NE2-O 3.15Å; Q141-S614 VanDerWaalsContact OE1-C 3.28Å; Q141-S614 VanDerWaalsContact OE1-CB 3.31Å; Q141-S614 PolarHBondContact OE1-OG 3.17Å; Q141-K615 HydrophobicContact CG-CB 3.82Å; Q141-K615 HydrophobicContact CG-CG 3.86Å; Q141-L618 HydrophobicContact CB-CD2 3.93Å; Q141-L618 HydrophobicContact CG-CD2 3.88Å
142R92.2Very high92.4Very high27 Ų2725.3 Ų25.310%0.10214%0.138CC..Hα-helixtrans-61.9-43.7170.7-71.9177.8-153.3-100.7-2.8112.1V138 S139 E140 I145 Q146 L543 D547 S1855V138-R142 WeakPolarHBondContact O-CG 3.31Å; V138-R142 PolarHBondContact O-N 3.07Å; S139-R142 PolarHBondContact O-N 3.38Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 3.03Å; R142-I145 PolarHBondContact O-N 2.95Å; R142-Q146 WeakPolarHBondContact O-CB 3.29Å; R142-Q146 PolarHBondContact O-N 3.01Å; R142-L543 HydrophobicContact CG-CD2 3.48Å; R142-L543 VanDerWaalsContact CG-CD2 3.48Å; R142-D547 IonicContact CZ-OD1 2.77Å; R142-D547 IonicContact CZ-OD2 3.71Å; R142-D547 IonicContact NH1-OD1 2.63Å; R142-D547 IonicContact NH1-OD2 3.84Å; R142-D547 PolarHBondContact NH1-OD2 3.12Å; R142-D547 IonicContact NH2-OD1 2.73Å; R142-D547 PolarHBondContact NH2-OD1 3.5Å; R142-D547 IonicContact NH2-OD2 3.47Å; R142-D547 PolarHBondContact NH2-OD2 3.49Å; R142-S1855 WeakPolarHBondContact CD-O 3.4Å; R142-S1855 PolarHBondContact NH1-O 3.12Å; R142-S1855 PolarHBondContact NH1-OG 2.69Å
143Q93.3Very high92.3Very high20 Ų2021.3 Ų21.39%0.09312%0.117CC..Hα-helixtrans-69.1-31.7178.5-73.1-68.521.700113.2F4 K66 T67 Y71 S139 E140 Q146 G147F4-Q143 HydrophobicContact CD1-CB 4.36Å; F4-Q143 HydrophobicContact CD2-CB 3.6Å; F4-Q143 HydrophobicContact CD2-CG 4.21Å; F4-Q143 HydrophobicContact CE1-CB 4.15Å; F4-Q143 HydrophobicContact CE2-CB 3.35Å; F4-Q143 HydrophobicContact CE2-CG 4.21Å; F4-Q143 HydrophobicContact CG-CB 4.12Å; F4-Q143 HydrophobicContact CZ-CB 3.65Å; K66-Q143 PolarHBondContact O-NE2 3.04Å; K66-Q143 VanDerWaalsContact O-NE2 3.08Å; T67-Q143 PolarHBondContact O-NE2 2.65Å; Y71-Q143 WeakPolarHBondContact CE1-O 3.43Å; Y71-Q143 PolarHBondContact OH-OE1 3.46Å; S139-Q143 PolarHBondContact O-N 3.25Å; E140-Q143 PolarHBondContact O-N 3.28Å; E140-Q143 VanDerWaalsContact O-N 3.11Å; Q143-Q146 PolarHBondContact O-N 3.06Å; Q143-G147 PolarHBondContact O-N 3.16Å
144M93.1Very high92.2Very high2 Ų221.8 Ų21.81%0.0112%0.117CC..Hα-helixtrans-62.9-44169.9-68.7168.473.900111.5F4 M6 E140 Q141 G147 W148 K615 L618 A619 L622F4-M144 HydrophobicContact CE1-CB 4.45Å; F4-M144 HydrophobicContact CE1-CG 3.72Å; F4-M144 HydrophobicContact CZ-CG 3.73Å; M6-M144 WeakPolarHBondContact CE-O 3.17Å; E140-M144 VanDerWaalsContact O-CG 3.31Å; E140-M144 WeakPolarHBondContact O-CG 3.35Å; E140-M144 PolarHBondContact O-N 2.82Å; Q141-M144 PolarHBondContact O-N 3.36Å; M144-G147 PolarHBondContact O-N 2.87Å; M144-W148 PolarHBondContact O-N 2.83Å; M144-K615 HydrophobicContact SD-CG 4.13Å; M144-L618 HydrophobicContact CB-CD2 4.01Å; M144-L618 HydrophobicContact CE-CD2 4.2Å; M144-L618 HydrophobicContact CE-CG 4.16Å; M144-L618 HydrophobicContact SD-CD2 4.16Å; M144-A619 HydrophobicContact CE-CB 3.78Å; M144-L622 HydrophobicContact CB-CD1 3.78Å; M144-L622 HydrophobicContact CE-CD1 4.26Å
145I91.1Very high92.1Very high14 Ų1422 Ų227%0.07212%0.118CC..Hα-helixtrans-66.9-43.5176.9-69.6166.1000111Q141 R142 G147 W148 C149 F539 L543 L618Q141-I145 WeakPolarHBondContact O-CG1 3.46Å; Q141-I145 PolarHBondContact O-N 3.03Å; Q141-I145 VanDerWaalsContact O-N 3.09Å; R142-I145 PolarHBondContact O-N 2.95Å; I145-G147 VanDerWaalsContact C-N 3.34Å; I145-G147 PolarHBondContact O-N 3.48Å; I145-W148 WeakPolarHBondContact O-CB 3.39Å; I145-W148 PolarHBondContact O-N 3.06Å; I145-W148 VanDerWaalsContact O-N 3.16Å; I145-C149 PolarHBondContact O-N 3.47Å; I145-C149 PolarHBondContact O-SG 3.3Å; I145-F539 HydrophobicContact CD1-CB 4.03Å; I145-F539 HydrophobicContact CD1-CD1 4.23Å; I145-F539 HydrophobicContact CG1-CB 4.07Å; I145-F539 HydrophobicContact CG1-CD1 3.77Å; I145-F539 HydrophobicContact CG1-CG 4.21Å; I145-F539 HydrophobicContact CG2-CB 3.73Å; I145-F539 HydrophobicContact CG2-CG 4.22Å; I145-L543 HydrophobicContact CD1-CD1 3.84Å; I145-L543 HydrophobicContact CD1-CD2 3.85Å; I145-L543 HydrophobicContact CD1-CG 3.62Å; I145-L543 HydrophobicContact CG2-CD1 4.29Å; I145-L618 HydrophobicContact CD1-CD1 4.45Å; I145-L618 HydrophobicContact CD1-CD2 4.24Å; I145-L618 HydrophobicContact CG1-CD1 4.12Å; I145-L618 HydrophobicContact CG1-CD2 4.1Å
146Q90.8Very high91.8Very high30 Ų3019.4 Ų19.414%0.1411%0.106CC..Hα-helixtrans-60.8-42.6175.6-179.158.329.800111.6Y71 R142 Q143 W148 C149 V150Y71-Q146 HydrophobicContact CE1-CG 4.46Å; Y71-Q146 WeakPolarHBondContact OH-CG 3.29Å; R142-Q146 WeakPolarHBondContact O-CB 3.29Å; R142-Q146 PolarHBondContact O-N 3.01Å; Q143-Q146 PolarHBondContact O-N 3.06Å; Q146-W148 VanDerWaalsContact C-N 3.35Å; Q146-W148 PolarHBondContact O-N 3.43Å; Q146-C149 WeakPolarHBondContact O-CB 3.43Å; Q146-C149 PolarHBondContact O-N 3.26Å; Q146-V150 WeakPolarHBondContact O-CG2 3.24Å; Q146-V150 PolarHBondContact O-N 3Å
147G93.4Very high91.6Very high0 Ų017.2 Ų17.20%010%0.096CC..Hα-helixtrans-59.3-43.3173.100000112.2F73 Q143 M144 I145 C149 V150 A151F73-G147 WeakPolarHBondContact CZ-O 3.34Å; Q143-G147 PolarHBondContact O-N 3.16Å; M144-G147 PolarHBondContact O-N 2.87Å; I145-G147 VanDerWaalsContact C-N 3.34Å; I145-G147 PolarHBondContact O-N 3.48Å; G147-C149 PolarHBondContact O-N 3.36Å; G147-V150 WeakPolarHBondContact O-CA 3.5Å; G147-V150 VanDerWaalsContact O-CB 3.31Å; G147-V150 WeakPolarHBondContact O-CB 3.37Å; G147-V150 PolarHBondContact O-N 3.02Å; G147-A151 PolarHBondContact O-N 3.32Å
148W91.2Very high91.5Very high3 Ų317.5 Ų17.51%0.01110%0.098CC..Hα-helixtrans-59.4-44.4173.2-178.3-113.5000112.5M144 I145 Q146 V150 A151 L152 A533 F539 L622 R625 L629M144-W148 PolarHBondContact O-N 2.83Å; I145-W148 WeakPolarHBondContact O-CB 3.39Å; I145-W148 PolarHBondContact O-N 3.06Å; I145-W148 VanDerWaalsContact O-N 3.16Å; Q146-W148 VanDerWaalsContact C-N 3.35Å; Q146-W148 PolarHBondContact O-N 3.43Å; W148-V150 PolarHBondContact O-N 3.04Å; W148-A151 HydrophobicContact CE3-CB 4.33Å; W148-A151 WeakPolarHBondContact O-CB 3.42Å; W148-A151 PolarHBondContact O-N 3.01Å; W148-A151 VanDerWaalsContact O-N 3.1Å; W148-L152 HydrophobicContact CH2-CD2 4.27Å; W148-L152 HydrophobicContact CZ2-CD2 3.66Å; W148-L152 HydrophobicContact CZ2-CG 4.22Å; W148-L152 WeakPolarHBondContact O-CG 3.22Å; W148-L152 PolarHBondContact O-N 3.44Å; W148-A533 WeakPolarHBondContact CZ2-O 3.28Å; W148-F539 AromaticContact CD1-CE2 3.35Å; W148-F539 AromaticContact CD1-CZ 3.65Å; W148-F539 HydrophobicContact CG-CE2 4.35Å; W148-F539 HydrophobicContact CG-CZ 4.27Å; W148-F539 AromaticContact NE1-CE2 3.55Å; W148-F539 AromaticContact NE1-CZ 3.92Å; W148-L622 HydrophobicContact CB-CD2 3.65Å; W148-L622 HydrophobicContact CD2-CD2 3.94Å; W148-L622 HydrophobicContact CE3-CD2 4.26Å; W148-L622 HydrophobicContact CG-CD2 3.65Å; W148-R625 HydrophobicContact CH2-CB 3.58Å; W148-R625 WeakPolarHBondContact CH2-O 3.26Å; W148-R625 HydrophobicContact CZ2-CB 3.82Å; W148-R625 HydrophobicContact CZ2-CG 4.42Å; W148-R625 HydrophobicContact CZ3-CB 3.96Å; W148-L629 HydrophobicContact CH2-CB 4.02Å; W148-L629 HydrophobicContact CH2-CD2 3.85Å; W148-L629 HydrophobicContact CH2-CG 4.46Å; W148-L629 HydrophobicContact CZ3-CB 4.35Å; W148-L629 HydrophobicContact CZ3-CD2 3.74Å
149C89.7Confident91.5Very high45 Ų4517.4 Ų17.430%0.30410%0.098SC..Hα-helixtrans-59.7-33.5173.4-65.20000112.9I145 Q146 G147 L152 A153I145-C149 PolarHBondContact O-N 3.47Å; I145-C149 PolarHBondContact O-SG 3.3Å; Q146-C149 WeakPolarHBondContact O-CB 3.43Å; Q146-C149 PolarHBondContact O-N 3.26Å; G147-C149 PolarHBondContact O-N 3.36Å; C149-L152 PolarHBondContact O-N 3.31Å; C149-A153 PolarHBondContact O-N 3.41Å
150V92.2Very high91.4Very high1 Ų114.6 Ų14.61%0.0068%0.078CC..Hα-helixtrans-68.1-39.6173.4167.80000112L44 V45 G48 Y71 Q146 G147 W148 A153 N154L44-V150 HydrophobicContact CB-CG1 3.52Å; L44-V150 HydrophobicContact CD1-CG1 3.9Å; L44-V150 HydrophobicContact CG-CG1 4.36Å; V45-V150 VanDerWaalsContact O-CG1 3.22Å; V45-V150 WeakPolarHBondContact O-CG1 3.41Å; G48-V150 WeakPolarHBondContact CA-O 3.41Å; Y71-V150 HydrophobicContact CD2-CB 4.45Å; Y71-V150 HydrophobicContact CD2-CG1 4.27Å; Y71-V150 HydrophobicContact CD2-CG2 4.12Å; Y71-V150 HydrophobicContact CE2-CG2 4.06Å; Q146-V150 WeakPolarHBondContact O-CG2 3.24Å; Q146-V150 PolarHBondContact O-N 3Å; G147-V150 WeakPolarHBondContact O-CA 3.5Å; G147-V150 VanDerWaalsContact O-CB 3.31Å; G147-V150 WeakPolarHBondContact O-CB 3.37Å; G147-V150 PolarHBondContact O-N 3.02Å; W148-V150 PolarHBondContact O-N 3.04Å; V150-A153 PolarHBondContact O-N 3.41Å; V150-N154 PolarHBondContact O-N 3.13Å
151A92.5Very high91.3Very high7 Ų715.9 Ų15.96%0.0589%0.085CC..Hα-helixtrans-65.2-38.3173.300000112.2F73 G147 W148 N154 L155 L629F73-A151 HydrophobicContact CE1-CB 4.09Å; F73-A151 HydrophobicContact CZ-CB 3.84Å; G147-A151 PolarHBondContact O-N 3.32Å; W148-A151 HydrophobicContact CE3-CB 4.33Å; W148-A151 WeakPolarHBondContact O-CB 3.42Å; W148-A151 PolarHBondContact O-N 3.01Å; W148-A151 VanDerWaalsContact O-N 3.1Å; A151-N154 WeakPolarHBondContact O-CB 3.29Å; A151-N154 PolarHBondContact O-N 3.13Å; A151-L155 PolarHBondContact O-N 3.24Å; A151-L629 HydrophobicContact CB-CD2 3.88Å
152L89.3Confident91.3Very high26 Ų2615.9 Ų15.914%0.1369%0.085CC..Hα-helixtrans-66.6-37.7173.2-65.1-172.8000112.7W148 C149 N154 L155 A156 L534W148-L152 HydrophobicContact CH2-CD2 4.27Å; W148-L152 HydrophobicContact CZ2-CD2 3.66Å; W148-L152 HydrophobicContact CZ2-CG 4.22Å; W148-L152 WeakPolarHBondContact O-CG 3.22Å; W148-L152 PolarHBondContact O-N 3.44Å; C149-L152 PolarHBondContact O-N 3.31Å; L152-N154 VanDerWaalsContact C-N 3.33Å; L152-L155 PolarHBondContact O-N 3.47Å; L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 3.05Å; L152-L534 HydrophobicContact CD2-CD2 3.49Å; L152-L534 VanDerWaalsContact CD2-CD2 3.49Å
153A90.5Very high91.4Very high9 Ų916.9 Ų16.97%0.0749%0.093CC..Hα-helixtrans-63.8-37.4172.600000112.1C149 V150 A156 E157 L1862C149-A153 PolarHBondContact O-N 3.41Å; V150-A153 PolarHBondContact O-N 3.41Å; A153-A156 PolarHBondContact O-N 3.49Å; A153-E157 PolarHBondContact O-N 2.79Å; A153-E157 VanDerWaalsContact O-N 3.1Å; A153-L1862 HydrophobicContact CB-CD1 3.97Å
154N91.7Very high91.5Very high30 Ų3019.7 Ų19.716%0.1610%0.104CC..Hα-helixtrans-63.5-50.4173.3-174-100.7000112L44 G48 V150 A151 L152 A156 E157 V158L44-N154 HydrophobicContact CD1-CB 4.03Å; L44-N154 HydrophobicContact CD2-CB 4.32Å; G48-N154 WeakPolarHBondContact O-CA 3.48Å; G48-N154 VanDerWaalsContact O-CB 3.25Å; G48-N154 WeakPolarHBondContact O-CB 3.43Å; G48-N154 PolarHBondContact O-ND2 3.47Å; V150-N154 PolarHBondContact O-N 3.13Å; A151-N154 WeakPolarHBondContact O-CB 3.29Å; A151-N154 PolarHBondContact O-N 3.13Å; L152-N154 VanDerWaalsContact C-N 3.33Å; N154-A156 PolarHBondContact O-N 3.03Å; N154-E157 PolarHBondContact O-N 3.12Å; N154-E157 VanDerWaalsContact O-N 3.11Å; N154-V158 WeakPolarHBondContact O-CG2 3.49Å; N154-V158 PolarHBondContact O-N 2.87Å
155L91.5Very high91.5Very high4 Ų422.7 Ų22.72%0.02112%0.116CC..Hα-helixtrans-52.7-43.2174.9177.768.4000111.2A151 L152 V158 A159 V429 L534 L629 F632A151-L155 PolarHBondContact O-N 3.24Å; L152-L155 PolarHBondContact O-N 3.47Å; L155-V158 PolarHBondContact O-N 3.37Å; L155-A159 VanDerWaalsContact O-CB 3.3Å; L155-A159 WeakPolarHBondContact O-CB 3.25Å; L155-A159 PolarHBondContact O-N 2.94Å; L155-V429 HydrophobicContact CD2-CG1 4.19Å; L155-V429 HydrophobicContact CD2-CG2 4.02Å; L155-V429 HydrophobicContact CG-CG1 4.24Å; L155-V429 HydrophobicContact CG-CG2 4.24Å; L155-L534 HydrophobicContact CD2-CD2 4.18Å; L155-L629 HydrophobicContact CB-CD1 4.1Å; L155-L629 HydrophobicContact CD1-CD1 3.96Å; L155-L629 HydrophobicContact CD2-CD1 3.68Å; L155-L629 HydrophobicContact CG-CD1 4.11Å; L155-F632 HydrophobicContact CD1-CD1 3.86Å; L155-F632 HydrophobicContact CD1-CE1 4.04Å
156A89.3Confident91.8Very high2 Ų222.4 Ų22.42%0.01711%0.114CC..Hα-helixtrans-63.8-43178.800000112.7L152 A153 N154 A160 L1862 F1864L152-A156 WeakPolarHBondContact O-CB 3.39Å; L152-A156 PolarHBondContact O-N 3.05Å; A153-A156 PolarHBondContact O-N 3.49Å; N154-A156 PolarHBondContact O-N 3.03Å; A156-A160 WeakPolarHBondContact O-CB 3.33Å; A156-A160 PolarHBondContact O-N 2.98Å; A156-L1862 HydrophobicContact CB-CB 4.39Å; A156-L1862 HydrophobicContact CB-CD2 3.46Å; A156-L1862 VanDerWaalsContact CB-CD2 3.46Å; A156-L1862 HydrophobicContact CB-CG 3.64Å; A156-F1864 HydrophobicContact CB-CD2 4.12Å; A156-F1864 HydrophobicContact CB-CE2 4.01Å; A156-F1864 WeakPolarHBondContact O-CE2 3.43Å
157E88.6Confident92Very high61 Ų6126.3 Ų26.329%0.28514%0.136SC..Hα-helixtrans-64-42.3174.2-175.5172-155.800111.7F49 A153 N154 A160 D161F49-E157 VanDerWaalsContact CD1-OE2 3.28Å; F49-E157 WeakPolarHBondContact CD1-OE2 3.24Å; F49-E157 WeakPolarHBondContact CE1-OE2 3.18Å; A153-E157 PolarHBondContact O-N 2.79Å; A153-E157 VanDerWaalsContact O-N 3.1Å; N154-E157 PolarHBondContact O-N 3.12Å; N154-E157 VanDerWaalsContact O-N 3.11Å; E157-A160 WeakPolarHBondContact O-CB 3.24Å; E157-A160 PolarHBondContact O-N 2.96Å; E157-A160 VanDerWaalsContact O-N 3.15Å; E157-D161 PolarHBondContact O-N 3.13Å
158V90.6Very high92Very high8 Ų833.3 Ų33.35%0.04817%0.166CC..Hα-helixtrans-65-43.2179.7-179.60000111.2N154 L155 A160 D161 T162 T284 Q633 L636N154-V158 WeakPolarHBondContact O-CG2 3.49Å; N154-V158 PolarHBondContact O-N 2.87Å; L155-V158 PolarHBondContact O-N 3.37Å; V158-A160 VanDerWaalsContact C-N 3.33Å; V158-D161 PolarHBondContact O-N 3.03Å; V158-T162 VanDerWaalsContact O-CB 3.31Å; V158-T162 WeakPolarHBondContact O-CB 3.49Å; V158-T162 PolarHBondContact O-N 2.92Å; V158-T162 PolarHBondContact O-OG1 3.49Å; V158-T284 HydrophobicContact CG2-CG2 4.11Å; V158-Q633 VanDerWaalsContact CG1-OE1 3.27Å; V158-L636 HydrophobicContact CG1-CD2 4.4Å
159A92.2Very high92.2Very high0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-63.2-38.9171.700000111.6L155 D161 T162 N163 V429 L636 F1864L155-A159 VanDerWaalsContact O-CB 3.3Å; L155-A159 WeakPolarHBondContact O-CB 3.25Å; L155-A159 PolarHBondContact O-N 2.94Å; A159-D161 PolarHBondContact O-N 3.38Å; A159-T162 PolarHBondContact O-N 3.28Å; A159-N163 WeakPolarHBondContact O-CB 3.41Å; A159-N163 PolarHBondContact O-N 3.05Å; A159-V429 HydrophobicContact CB-CB 4.36Å; A159-V429 HydrophobicContact CB-CG1 4.16Å; A159-V429 HydrophobicContact CB-CG2 4.33Å; A159-L636 HydrophobicContact CB-CD1 4.37Å; A159-F1864 HydrophobicContact CB-CE2 4.31Å; A159-F1864 HydrophobicContact CB-CZ 3.93Å
160A91Very high92.4Very high5 Ų533.8 Ų33.84%0.04117%0.168CC..Hα-helixtrans-67.3-33.717900000113A156 E157 V158 K164 F1864A156-A160 WeakPolarHBondContact O-CB 3.33Å; A156-A160 PolarHBondContact O-N 2.98Å; E157-A160 WeakPolarHBondContact O-CB 3.24Å; E157-A160 PolarHBondContact O-N 2.96Å; E157-A160 VanDerWaalsContact O-N 3.15Å; V158-A160 VanDerWaalsContact C-N 3.33Å; A160-K164 VanDerWaalsContact C-NZ 3.32Å; A160-K164 WeakPolarHBondContact O-CG 3.35Å; A160-K164 PolarHBondContact O-NZ 3.44Å; A160-F1864 VanDerWaalsContact CA-CE1 3.42Å; A160-F1864 VanDerWaalsContact CA-CZ 3.46Å; A160-F1864 HydrophobicContact CB-CD1 3.73Å; A160-F1864 HydrophobicContact CB-CD2 4.08Å; A160-F1864 HydrophobicContact CB-CE1 3.52Å; A160-F1864 HydrophobicContact CB-CE2 3.9Å; A160-F1864 HydrophobicContact CB-CG 4.03Å; A160-F1864 HydrophobicContact CB-CZ 3.62Å; A160-F1864 VanDerWaalsContact N-CZ 3.34Å
161D89.6Confident92.5Very high40 Ų4036.8 Ų36.821%0.21419%0.19CC..Hα-helixtrans-80.8-35.6174-139.874.8000112.4E157 V158 A159 N163 K164 R165 K2039E157-D161 PolarHBondContact O-N 3.13Å; V158-D161 PolarHBondContact O-N 3.03Å; A159-D161 PolarHBondContact O-N 3.38Å; D161-N163 VanDerWaalsContact C-N 3.33Å; D161-N163 PolarHBondContact O-N 2.91Å; D161-K164 WeakPolarHBondContact O-CB 3.45Å; D161-K164 PolarHBondContact O-N 2.97Å; D161-K164 VanDerWaalsContact O-N 3.12Å; D161-K164 IonicContact OD1-NZ 2.72Å; D161-K164 PolarHBondContact OD1-NZ 2.65Å; D161-R165 PolarHBondContact O-N 3.48Å; D161-R165 PolarHBondContact O-NH1 3.17Å; D161-R165 IonicContact OD2-NH1 2.72Å; D161-K2039 IonicContact OD1-NZ 3.2Å; D161-K2039 PolarHBondContact OD1-NZ 2.95Å
162T93.8Very high92.5Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-65.1-36.2174.6-51.80000112V158 A159 K164 R165 L166 L422 I426 L636 D640V158-T162 VanDerWaalsContact O-CB 3.31Å; V158-T162 WeakPolarHBondContact O-CB 3.49Å; V158-T162 PolarHBondContact O-N 2.92Å; V158-T162 PolarHBondContact O-OG1 3.49Å; A159-T162 PolarHBondContact O-N 3.28Å; T162-K164 VanDerWaalsContact C-N 3.3Å; T162-K164 PolarHBondContact O-N 3.24Å; T162-R165 PolarHBondContact O-N 3.4Å; T162-R165 VanDerWaalsContact O-N 3.11Å; T162-R165 PolarHBondContact OG1-NH2 2.84Å; T162-L166 PolarHBondContact O-N 2.94Å; T162-L422 HydrophobicContact CG2-CD1 4.16Å; T162-L422 HydrophobicContact CG2-CD2 3.99Å; T162-L422 HydrophobicContact CG2-CG 4.49Å; T162-I426 HydrophobicContact CG2-CD1 4.19Å; T162-L636 HydrophobicContact CG2-CD2 3.77Å; T162-D640 HydrophobicContact CG2-CB 3.98Å
163N95.1Very high92.8Very high47 Ų4739.3 Ų39.325%0.25120%0.196SC..Hα-helixtrans-60.1-37.7172.1-165.4-3000112.2A159 D161 R165 L166 L167 I426A159-N163 WeakPolarHBondContact O-CB 3.41Å; A159-N163 PolarHBondContact O-N 3.05Å; D161-N163 VanDerWaalsContact C-N 3.33Å; D161-N163 PolarHBondContact O-N 2.91Å; N163-R165 VanDerWaalsContact C-N 3.35Å; N163-R165 PolarHBondContact O-N 3.2Å; N163-L166 PolarHBondContact O-N 3.43Å; N163-L167 WeakPolarHBondContact O-CB 3.49Å; N163-L167 VanDerWaalsContact O-CG 3.3Å; N163-L167 WeakPolarHBondContact O-CG 3.34Å; N163-L167 PolarHBondContact O-N 2.82Å; N163-I426 HydrophobicContact CB-CD1 4.15Å; N163-I426 HydrophobicContact CB-CG2 3.88Å
164K94.2Very high93Very high79 Ų7943.1 Ų43.134%0.34322%0.218SC..Hα-helixtrans-65.1-39.3174.7-59.3176.4-159.982.70111.7A160 D161 T162 F168 C1865A160-K164 VanDerWaalsContact C-NZ 3.32Å; A160-K164 WeakPolarHBondContact O-CG 3.35Å; A160-K164 PolarHBondContact O-NZ 3.44Å; D161-K164 WeakPolarHBondContact O-CB 3.45Å; D161-K164 PolarHBondContact O-N 2.97Å; D161-K164 VanDerWaalsContact O-N 3.12Å; D161-K164 IonicContact OD1-NZ 2.72Å; D161-K164 PolarHBondContact OD1-NZ 2.65Å; T162-K164 VanDerWaalsContact C-N 3.3Å; T162-K164 PolarHBondContact O-N 3.24Å; K164-F168 PolarHBondContact O-N 3.08Å; K164-F168 VanDerWaalsContact O-N 3.16Å; K164-C1865 WeakPolarHBondContact CE-SG 3.02Å; K164-C1865 PolarHBondContact NZ-SG 2.99Å
165R94.2Very high93Very high66 Ų6646.7 Ų46.725%0.24923%0.234CC..Hα-helixtrans-67.5-41.1176-60.8-165.6-58.3-77.92.4111.3D161 T162 N163 F168 A169 D640D161-R165 PolarHBondContact O-N 3.48Å; D161-R165 PolarHBondContact O-NH1 3.17Å; D161-R165 IonicContact OD2-NH1 2.72Å; T162-R165 PolarHBondContact O-N 3.4Å; T162-R165 VanDerWaalsContact O-N 3.11Å; T162-R165 PolarHBondContact OG1-NH2 2.84Å; N163-R165 VanDerWaalsContact C-N 3.35Å; N163-R165 PolarHBondContact O-N 3.2Å; R165-F168 PolarHBondContact O-N 3.44Å; R165-A169 WeakPolarHBondContact O-CB 3.22Å; R165-A169 PolarHBondContact O-N 3.31Å; R165-D640 IonicContact CZ-OD2 2.82Å; R165-D640 VanDerWaalsContact CZ-OD2 3.22Å; R165-D640 IonicContact NE-OD1 2.69Å; R165-D640 IonicContact NE-OD2 3.46Å; R165-D640 PolarHBondContact NE-OD2 2.91Å; R165-D640 IonicContact NH2-OD2 3.26Å; R165-D640 PolarHBondContact NH2-OD2 2.83Å
166L96.2Very high93.3Very high7 Ų746.6 Ų46.64%0.03723%0.233CC..Hα-helixtrans-61.9-49.3173.4178.360.1000112.2T162 N163 F168 A169 T170 T419 L422 I426 I643T162-L166 PolarHBondContact O-N 2.94Å; N163-L166 PolarHBondContact O-N 3.43Å; L166-F168 VanDerWaalsContact C-N 3.28Å; L166-F168 PolarHBondContact O-N 2.92Å; L166-A169 CarbonylContact O-C 3.57Å; L166-A169 WeakPolarHBondContact O-CA 3.39Å; L166-A169 WeakPolarHBondContact O-CB 3.36Å; L166-A169 PolarHBondContact O-N 2.79Å; L166-T170 PolarHBondContact O-N 3.37Å; L166-T170 PolarHBondContact O-OG1 2.82Å; L166-T170 VanDerWaalsContact O-OG1 3.13Å; L166-T419 HydrophobicContact CD1-CG2 3.9Å; L166-L422 HydrophobicContact CB-CD2 4.44Å; L166-L422 HydrophobicContact CD1-CD2 4.41Å; L166-L422 HydrophobicContact CD2-CB 4.4Å; L166-L422 HydrophobicContact CD2-CG 4.23Å; L166-I426 HydrophobicContact CD2-CD1 4.05Å; L166-I643 HydrophobicContact CD1-CD1 4.24Å
167L95.4Very high93.5Very high113 Ų11347.1 Ų47.159%0.59224%0.235SC*.Hα-helixtrans-57-40.8177.3-76.2163.7000112.4N163 S171N163-L167 WeakPolarHBondContact O-CB 3.49Å; N163-L167 VanDerWaalsContact O-CG 3.3Å; N163-L167 WeakPolarHBondContact O-CG 3.34Å; N163-L167 PolarHBondContact O-N 2.82Å; L167-S171 WeakPolarHBondContact O-CB 3.45Å; L167-S171 PolarHBondContact O-N 2.79Å; L167-S171 VanDerWaalsContact O-N 3.12Å
168F94Very high93.7Very high146 Ų14647.1 Ų47.164%0.6425%0.251SS*.Hα-helixtrans-66.3-42.3172.4178.6-97.3000112.1K164 R165 L166 S171 R172K164-F168 PolarHBondContact O-N 3.08Å; K164-F168 VanDerWaalsContact O-N 3.16Å; R165-F168 PolarHBondContact O-N 3.44Å; L166-F168 VanDerWaalsContact C-N 3.28Å; L166-F168 PolarHBondContact O-N 2.92Å; F168-S171 PolarHBondContact O-N 3.16Å; F168-R172 PolarHBondContact O-N 2.66Å
169A93.8Very high93.9Very high2 Ų248.1 Ų48.12%0.01726%0.259CS..Hα-helixtrans-61.3-48.3178.100000112.3R165 L166 S171 R172 L173 I643 L647R165-A169 WeakPolarHBondContact O-CB 3.22Å; R165-A169 PolarHBondContact O-N 3.31Å; L166-A169 CarbonylContact O-C 3.57Å; L166-A169 WeakPolarHBondContact O-CA 3.39Å; L166-A169 WeakPolarHBondContact O-CB 3.36Å; L166-A169 PolarHBondContact O-N 2.79Å; A169-S171 PolarHBondContact O-N 3.04Å; A169-R172 CarbonylContact O-C 3.52Å; A169-R172 PolarHBondContact O-N 3.4Å; A169-R172 VanDerWaalsContact O-N 3.14Å; A169-L173 WeakPolarHBondContact O-CB 3.31Å; A169-L173 PolarHBondContact O-N 3.14Å; A169-I643 HydrophobicContact CB-CG2 3.49Å; A169-I643 VanDerWaalsContact CB-CG2 3.49Å; A169-L647 HydrophobicContact CB-CD1 3.76Å; A169-L647 HydrophobicContact CB-CD2 4.37Å; A169-L647 HydrophobicContact CB-CG 4.33Å
170T95.1Very high94Very high56 Ų5648.1 Ų48.134%0.34426%0.259SS..Hα-helixtrans-62.7-41.5177.6-550000111.4L166 R172 L173 V174L166-T170 PolarHBondContact O-N 3.37Å; L166-T170 PolarHBondContact O-OG1 2.82Å; L166-T170 VanDerWaalsContact O-OG1 3.13Å; T170-R172 VanDerWaalsContact C-N 3.27Å; T170-R172 PolarHBondContact O-N 2.9Å; T170-L173 PolarHBondContact O-N 3.02Å; T170-V174 WeakPolarHBondContact O-CG2 3.47Å; T170-V174 PolarHBondContact O-N 3.1Å
171S93.9Very high94.1Very high65 Ų6549 Ų4946%0.45526%0.264SS..Hα-helixtrans-60.3-37.4174-173.30000112.4L167 F168 A169 Q175L167-S171 WeakPolarHBondContact O-CB 3.45Å; L167-S171 PolarHBondContact O-N 2.79Å; L167-S171 VanDerWaalsContact O-N 3.12Å; F168-S171 PolarHBondContact O-N 3.16Å; A169-S171 PolarHBondContact O-N 3.04Å; S171-Q175 WeakPolarHBondContact O-CG 3.46Å; S171-Q175 PolarHBondContact O-N 3.35Å
172R93.1Very high94.3Very high82 Ų8249 Ų4931%0.30926%0.264SS..Hα-helixtrans-78.4-30176.9-170.755175.3178.82.2113.4F168 A169 T170 F176 L647F168-R172 PolarHBondContact O-N 2.66Å; A169-R172 CarbonylContact O-C 3.52Å; A169-R172 PolarHBondContact O-N 3.4Å; A169-R172 VanDerWaalsContact O-N 3.14Å; T170-R172 VanDerWaalsContact C-N 3.27Å; T170-R172 PolarHBondContact O-N 2.9Å; R172-F176 PolarHBondContact O-N 3.49Å; R172-L647 HydrophobicContact CB-CD2 3.84Å; R172-L647 HydrophobicContact CG-CD2 3.91Å
173L95.2Very high94.3Very high4 Ų450.3 Ų50.32%0.02127%0.269CS..Hα-helixtrans-61.6-53173.1176.460.3000110.5A169 T170 Q175 F176 E177 L412 V415 M650A169-L173 WeakPolarHBondContact O-CB 3.31Å; A169-L173 PolarHBondContact O-N 3.14Å; T170-L173 PolarHBondContact O-N 3.02Å; L173-Q175 VanDerWaalsContact C-N 3.27Å; L173-Q175 PolarHBondContact O-N 3.29Å; L173-F176 CarbonylContact O-C 3.47Å; L173-F176 WeakPolarHBondContact O-CA 3.43Å; L173-F176 PolarHBondContact O-N 3.44Å; L173-E177 HydrophobicContact CD1-CG 3.9Å; L173-E177 HydrophobicContact CG-CG 4.18Å; L173-E177 WeakPolarHBondContact O-CG 3.23Å; L173-E177 PolarHBondContact O-N 2.87Å; L173-L412 HydrophobicContact CD1-CB 4.34Å; L173-L412 HydrophobicContact CD1-CD1 3.86Å; L173-V415 HydrophobicContact CD1-CB 4.13Å; L173-V415 HydrophobicContact CD1-CG1 3.96Å; L173-V415 HydrophobicContact CD2-CB 4.45Å; L173-V415 HydrophobicContact CD2-CG1 4.03Å; L173-M650 HydrophobicContact CB-CE 4.41Å; L173-M650 HydrophobicContact CD1-CE 4.37Å; L173-M650 HydrophobicContact CD1-SD 3.7Å
174V94.8Very high94.2Very high88 Ų8848.9 Ų48.953%0.53326%0.261SS..Hα-helixtrans-59-37.5-179.91740000112.2T170 F176 G178T170-V174 WeakPolarHBondContact O-CG2 3.47Å; T170-V174 PolarHBondContact O-N 3.1Å; V174-F176 VanDerWaalsContact C-N 3.3Å; V174-F176 PolarHBondContact O-N 3.03Å; V174-G178 PolarHBondContact O-N 3.47Å
175Q92.5Very high94.1Very high105 Ų10551.2 Ų51.249%0.49127%0.268SS..Hα-helixtrans-64.4-32.9173.4-70.9170.415.700113.3S171 L173 C179S171-Q175 WeakPolarHBondContact O-CG 3.46Å; S171-Q175 PolarHBondContact O-N 3.35Å; L173-Q175 VanDerWaalsContact C-N 3.27Å; L173-Q175 PolarHBondContact O-N 3.29Å; Q175-C179 PolarHBondContact O-SG 3.15Å
176F96Very high93.9Very high2 Ų250.4 Ų50.41%0.00927%0.266CS..Hα-helixtrans-85.1-40.5-178-179.7-102.3000112R172 L173 V174 G178 C179 V180 L390 L412 M650 V653 T654R172-F176 PolarHBondContact O-N 3.49Å; L173-F176 CarbonylContact O-C 3.47Å; L173-F176 WeakPolarHBondContact O-CA 3.43Å; L173-F176 PolarHBondContact O-N 3.44Å; V174-F176 VanDerWaalsContact C-N 3.3Å; V174-F176 PolarHBondContact O-N 3.03Å; F176-G178 PolarHBondContact O-N 3.4Å; F176-C179 CarbonylContact O-C 3.27Å; F176-C179 PolarHBondContact O-N 2.95Å; F176-C179 PolarHBondContact O-SG 3.08Å; F176-C179 VanDerWaalsContact O-SG 3.41Å; F176-V180 HydrophobicContact CD1-CB 4.32Å; F176-V180 HydrophobicContact CD1-CG2 4.49Å; F176-V180 HydrophobicContact CE1-CB 3.92Å; F176-V180 HydrophobicContact CE1-CG2 3.63Å; F176-V180 HydrophobicContact CZ-CB 4.14Å; F176-V180 HydrophobicContact CZ-CG2 3.72Å; F176-V180 PolarHBondContact O-N 3.48Å; F176-L390 HydrophobicContact CE1-CD1 3.86Å; F176-L390 HydrophobicContact CZ-CD1 4.21Å; F176-L412 HydrophobicContact CD1-CD1 3.48Å; F176-L412 VanDerWaalsContact CD1-CD1 3.48Å; F176-L412 HydrophobicContact CE1-CD1 3.65Å; F176-M650 HydrophobicContact CB-CB 4.49Å; F176-M650 HydrophobicContact CB-SD 3.95Å; F176-M650 HydrophobicContact CD1-CB 3.94Å; F176-M650 HydrophobicContact CD1-CG 3.45Å; F176-M650 VanDerWaalsContact CD1-CG 3.45Å; F176-M650 HydrophobicContact CD1-SD 3.47Å; F176-M650 WeakPolarHBondContact CD1-SD 3.47Å; F176-M650 HydrophobicContact CD2-CB 4.05Å; F176-M650 HydrophobicContact CD2-CG 4.47Å; F176-M650 HydrophobicContact CE1-CB 4.16Å; F176-M650 HydrophobicContact CE1-CG 3.65Å; F176-M650 HydrophobicContact CE1-SD 4.22Å; F176-M650 HydrophobicContact CE2-CB 4.25Å; F176-M650 WeakPolarHBondContact CE2-O 3.43Å; F176-M650 HydrophobicContact CG-CB 3.88Å; F176-M650 HydrophobicContact CG-CG 3.9Å; F176-M650 HydrophobicContact CG-SD 3.88Å; F176-M650 HydrophobicContact CZ-CB 4.3Å; F176-M650 HydrophobicContact CZ-CG 4.24Å; F176-V653 HydrophobicContact CE2-CB 3.91Å; F176-V653 HydrophobicContact CE2-CG1 3.84Å; F176-V653 HydrophobicContact CZ-CB 3.81Å; F176-V653 HydrophobicContact CZ-CG1 3.7Å; F176-V653 HydrophobicContact CZ-CG2 4.43Å; F176-T654 WeakPolarHBondContact CD2-OG1 3.14Å
177E95Very high93.8Very high14 Ų1450.2 Ų50.27%0.06527%0.265CS..Hα-helixtrans-53.7-39.9169.7-69.3173.7144.400110.8L173 C179 N410 L412 R416L173-E177 HydrophobicContact CD1-CG 3.9Å; L173-E177 HydrophobicContact CG-CG 4.18Å; L173-E177 WeakPolarHBondContact O-CG 3.23Å; L173-E177 PolarHBondContact O-N 2.87Å; E177-C179 PolarHBondContact O-N 2.97Å; E177-N410 VanDerWaalsContact O-CB 3.23Å; E177-N410 WeakPolarHBondContact O-CB 3.16Å; E177-N410 PolarHBondContact O-OD1 3.4Å; E177-N410 VanDerWaalsContact O-OD1 3.1Å; E177-L412 HydrophobicContact CG-CD1 3.87Å; E177-L412 HydrophobicContact CG-CG 4.17Å; E177-R416 IonicContact OE1-CZ 3.05Å; E177-R416 IonicContact OE1-NE 2.7Å; E177-R416 PolarHBondContact OE1-NE 2.81Å; E177-R416 IonicContact OE1-NH2 3.55Å; E177-R416 PolarHBondContact OE1-NH2 2.94Å; E177-R416 IonicContact OE2-CZ 2.8Å; E177-R416 IonicContact OE2-NH2 3.04Å; E177-R416 PolarHBondContact OE2-NH2 3.17Å
178G93Very high93.5Very high60 Ų6047.3 Ų47.362%0.61925%0.246SC*.THydrogen-bonded Turntrans-65.2-2.217500000116.7V174 F176V174-G178 PolarHBondContact O-N 3.47Å; F176-G178 PolarHBondContact O-N 3.4Å
179C92.8Very high93.3Very high30 Ų3043 Ų4320%0.20323%0.23CC..THydrogen-bonded Turntrans-142.91.5177.258.50000115.5Q175 F176 E177 D182 W183Q175-C179 PolarHBondContact O-SG 3.15Å; F176-C179 CarbonylContact O-C 3.27Å; F176-C179 PolarHBondContact O-N 2.95Å; F176-C179 PolarHBondContact O-SG 3.08Å; F176-C179 VanDerWaalsContact O-SG 3.41Å; E177-C179 PolarHBondContact O-N 2.97Å; C179-D182 WeakPolarHBondContact O-CB 3.28Å; C179-D182 PolarHBondContact O-N 2.79Å; C179-W183 PolarHBondContact O-N 3.05Å; C179-W183 VanDerWaalsContact O-N 3.12Å; C179-W183 PolarHBondContact SG-NE1 2.75Å
180V95.5Very high93.1Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-67.5-39.4-172.766.80000113.3F176 D182 W183 E184 I387 N410 L412F176-V180 HydrophobicContact CD1-CB 4.32Å; F176-V180 HydrophobicContact CD1-CG2 4.49Å; F176-V180 HydrophobicContact CE1-CB 3.92Å; F176-V180 HydrophobicContact CE1-CG2 3.63Å; F176-V180 HydrophobicContact CZ-CB 4.14Å; F176-V180 HydrophobicContact CZ-CG2 3.72Å; F176-V180 PolarHBondContact O-N 3.48Å; V180-D182 VanDerWaalsContact C-N 3.32Å; V180-D182 PolarHBondContact O-N 2.94Å; V180-W183 PolarHBondContact O-N 3.28Å; V180-E184 WeakPolarHBondContact O-CB 3.45Å; V180-E184 PolarHBondContact O-N 3.1Å; V180-I387 HydrophobicContact CG2-CG1 4.29Å; V180-I387 HydrophobicContact CG2-CG2 4.02Å; V180-N410 HydrophobicContact CG1-CB 4.45Å; V180-L412 HydrophobicContact CG2-CD2 4.41Å
181S93.3Very high92.7Very high23 Ų2346.2 Ų46.216%0.16125%0.245CC..Hα-helixtrans-61.7-38.8174.4540000112.6W183 E184 R185 N410S181-W183 VanDerWaalsContact C-N 3.35Å; S181-E184 PolarHBondContact O-N 3.42Å; S181-R185 VanDerWaalsContact O-CB 3.25Å; S181-R185 WeakPolarHBondContact O-CB 3.45Å; S181-R185 PolarHBondContact O-N 3.39Å; S181-N410 WeakPolarHBondContact CB-OD1 3.27Å; S181-N410 PolarHBondContact N-OD1 3.18Å; S181-N410 PolarHBondContact OG-OD1 3.07Å
182D93.1Very high92.5Very high39 Ų3949 Ų4921%0.20925%0.25CS..Hα-helixtrans-65.5-36.1175.2-99.4-21.7000112.4C179 V180 R185 K186C179-D182 WeakPolarHBondContact O-CB 3.28Å; C179-D182 PolarHBondContact O-N 2.79Å; V180-D182 VanDerWaalsContact C-N 3.32Å; V180-D182 PolarHBondContact O-N 2.94Å; D182-R185 IonicContact OD1-CZ 2.64Å; D182-R185 IonicContact OD1-NE 2.77Å; D182-R185 IonicContact OD1-NH2 3.06Å; D182-R185 PolarHBondContact OD1-NH2 2.93Å; D182-K186 WeakPolarHBondContact O-CB 3.09Å; D182-K186 WeakPolarHBondContact O-CD 3.3Å; D182-K186 WeakPolarHBondContact O-CG 3.21Å; D182-K186 PolarHBondContact O-N 3.1Å
183W93.4Very high92.3Very high28 Ų2845.4 Ų45.411%0.10624%0.238CC..Hα-helixtrans-71.2-45.8173.2-60.8135.1000112.2C179 V180 S181 R185 K186 L187 V653 G657 T658C179-W183 PolarHBondContact O-N 3.05Å; C179-W183 VanDerWaalsContact O-N 3.12Å; C179-W183 PolarHBondContact SG-NE1 2.75Å; V180-W183 PolarHBondContact O-N 3.28Å; S181-W183 VanDerWaalsContact C-N 3.35Å; W183-R185 PolarHBondContact O-N 2.77Å; W183-K186 HydrophobicContact CE3-CD 4.03Å; W183-K186 HydrophobicContact CZ3-CD 4.09Å; W183-K186 PolarHBondContact O-N 3.47Å; W183-L187 WeakPolarHBondContact O-CB 3.38Å; W183-L187 WeakPolarHBondContact O-CD1 3.49Å; W183-L187 WeakPolarHBondContact O-CG 3.27Å; W183-L187 PolarHBondContact O-N 3.26Å; W183-V653 HydrophobicContact CB-CG1 4.27Å; W183-G657 WeakPolarHBondContact CZ3-O 3.46Å; W183-T658 HydrophobicContact CH2-CG2 3.77Å; W183-T658 HydrophobicContact CZ2-CG2 3.97Å
184E94.2Very high92.2Very high17 Ų1748.2 Ų48.28%0.07925%0.25CC..Hα-helixtrans-59.2-48.6179.2-160171.9-13000111V180 S181 K186 L187 Y188 L384 I387 R391 F408V180-E184 WeakPolarHBondContact O-CB 3.45Å; V180-E184 PolarHBondContact O-N 3.1Å; S181-E184 PolarHBondContact O-N 3.42Å; E184-K186 PolarHBondContact O-N 3.44Å; E184-L187 PolarHBondContact O-N 3.44Å; E184-Y188 HydrophobicContact CG-CD2 4.11Å; E184-Y188 HydrophobicContact CG-CE2 3.96Å; E184-Y188 WeakPolarHBondContact O-CD2 3.29Å; E184-Y188 PolarHBondContact O-N 2.9Å; E184-L384 HydrophobicContact CG-CD2 4.08Å; E184-I387 HydrophobicContact CB-CD1 3.93Å; E184-I387 HydrophobicContact CG-CD1 4.1Å; E184-I387 HydrophobicContact CG-CG2 4.4Å; E184-I387 WeakPolarHBondContact OE1-CG2 3.25Å; E184-R391 IonicContact OE1-CZ 3.27Å; E184-R391 IonicContact OE1-NE 3.45Å; E184-R391 PolarHBondContact OE1-NE 3.37Å; E184-R391 VanDerWaalsContact OE1-NE 3.1Å; E184-R391 IonicContact OE1-NH2 2.7Å; E184-R391 PolarHBondContact OE1-NH2 2.98Å; E184-R391 IonicContact OE2-CZ 2.71Å; E184-R391 IonicContact OE2-NE 3Å; E184-R391 IonicContact OE2-NH2 3.91Å; E184-R391 PolarHBondContact OE2-NH2 3.46Å; E184-F408 HydrophobicContact CB-CD1 4.01Å; E184-F408 HydrophobicContact CB-CE1 4.34Å; E184-F408 HydrophobicContact CG-CD1 3.94Å; E184-F408 HydrophobicContact CG-CE1 4.07Å; E184-F408 WeakPolarHBondContact OE2-CD1 3.02Å
185R91.8Very high91.9Very high129 Ų12950.3 Ų50.349%0.48725%0.251SS..Hα-helixtrans-56.6-48174.1179.3168.361.3154.4-4.5112.6S181 D182 W183 L187 Y188 N189 F408S181-R185 VanDerWaalsContact O-CB 3.25Å; S181-R185 WeakPolarHBondContact O-CB 3.45Å; S181-R185 PolarHBondContact O-N 3.39Å; D182-R185 IonicContact OD1-CZ 2.64Å; D182-R185 IonicContact OD1-NE 2.77Å; D182-R185 IonicContact OD1-NH2 3.06Å; D182-R185 PolarHBondContact OD1-NH2 2.93Å; W183-R185 PolarHBondContact O-N 2.77Å; R185-L187 VanDerWaalsContact C-N 3.3Å; R185-L187 PolarHBondContact O-N 2.99Å; R185-Y188 PolarHBondContact O-N 3.29Å; R185-N189 WeakPolarHBondContact O-CB 3.38Å; R185-N189 PolarHBondContact O-N 2.8Å; R185-N189 PolarHBondContact O-OD1 2.95Å; R185-F408 HydrophobicContact CB-CD2 4.05Å; R185-F408 HydrophobicContact CB-CE1 4.36Å; R185-F408 HydrophobicContact CB-CE2 3.88Å; R185-F408 HydrophobicContact CB-CG 4.36Å; R185-F408 HydrophobicContact CB-CZ 4.04Å; R185-F408 HydrophobicContact CG-CD2 4.41Å; R185-F408 HydrophobicContact CG-CE2 3.99Å; R185-F408 HydrophobicContact CG-CZ 4.39Å
186K90.8Very high91.7Very high49 Ų4950.5 Ų50.521%0.21325%0.252CS..Hα-helixtrans-64-33.2177.5-75.6171.9-172.7176.40113D182 W183 E184 I660 S661D182-K186 WeakPolarHBondContact O-CB 3.09Å; D182-K186 WeakPolarHBondContact O-CD 3.3Å; D182-K186 WeakPolarHBondContact O-CG 3.21Å; D182-K186 PolarHBondContact O-N 3.1Å; W183-K186 HydrophobicContact CE3-CD 4.03Å; W183-K186 HydrophobicContact CZ3-CD 4.09Å; W183-K186 PolarHBondContact O-N 3.47Å; E184-K186 PolarHBondContact O-N 3.44Å; K186-I660 HydrophobicContact CB-CG2 3.98Å; K186-S661 PolarHBondContact NZ-OG 2.87Å
187L92.3Very high91.4Very high3 Ų350.5 Ų50.52%0.01625%0.252CS..Hα-helixtrans-74.2-37.1178.7-71.4163000112.2W183 E184 R185 F190 I380 A383 L384 I387 T656 I660W183-L187 WeakPolarHBondContact O-CB 3.38Å; W183-L187 WeakPolarHBondContact O-CD1 3.49Å; W183-L187 WeakPolarHBondContact O-CG 3.27Å; W183-L187 PolarHBondContact O-N 3.26Å; E184-L187 PolarHBondContact O-N 3.44Å; R185-L187 VanDerWaalsContact C-N 3.3Å; R185-L187 PolarHBondContact O-N 2.99Å; L187-F190 WeakPolarHBondContact O-CB 3.16Å; L187-I380 HydrophobicContact CD2-CB 4.5Å; L187-I380 HydrophobicContact CD2-CG1 4.44Å; L187-I380 HydrophobicContact CD2-CG2 3.99Å; L187-A383 HydrophobicContact CD1-CB 3.88Å; L187-A383 HydrophobicContact CD2-CB 4.1Å; L187-L384 HydrophobicContact CB-CD1 4Å; L187-L384 HydrophobicContact CB-CD2 3.8Å; L187-L384 HydrophobicContact CB-CG 3.79Å; L187-L384 HydrophobicContact CD1-CD2 4.3Å; L187-L384 HydrophobicContact CD1-CG 4.25Å; L187-I387 HydrophobicContact CD1-CD1 3.84Å; L187-T656 HydrophobicContact CD2-CG2 3.89Å; L187-I660 HydrophobicContact CD2-CG1 4.11Å
188Y90.7Very high91.2Very high51 Ų5152.2 Ų52.220%0.227%0.266CS..Hα-helixtrans-72.5-42.2173.9-85-75.1000112.8E184 R185 F190 L384 L404 P405 F408E184-Y188 HydrophobicContact CG-CD2 4.11Å; E184-Y188 HydrophobicContact CG-CE2 3.96Å; E184-Y188 WeakPolarHBondContact O-CD2 3.29Å; E184-Y188 PolarHBondContact O-N 2.9Å; R185-Y188 PolarHBondContact O-N 3.29Å; Y188-F190 PolarHBondContact O-N 2.89Å; Y188-L384 HydrophobicContact CD2-CD2 3.7Å; Y188-L384 HydrophobicContact CE2-CD2 3.52Å; Y188-L384 HydrophobicContact CG-CD2 4.42Å; Y188-L404 HydrophobicContact CD1-CD1 4.07Å; Y188-L404 HydrophobicContact CD2-CD1 4.36Å; Y188-L404 HydrophobicContact CG-CD1 3.72Å; Y188-P405 HydrophobicContact CE2-CG 3.9Å; Y188-F408 AromaticContact CD2-CE1 3.9Å; Y188-F408 HydrophobicContact CD2-CE1 3.9Å; Y188-F408 HydrophobicContact CD2-CZ 4.44Å; Y188-F408 HydrophobicContact CE2-CE1 4.39Å
189N88.3Confident91.1Very high56 Ų5653.3 Ų53.330%0.29926%0.255SS..THydrogen-bonded Turntrans-71.98.5177.7-76.857.5000114R185 N191 E192R185-N189 WeakPolarHBondContact O-CB 3.38Å; R185-N189 PolarHBondContact O-N 2.8Å; R185-N189 PolarHBondContact O-OD1 2.95Å; N189-N191 PolarHBondContact O-N 2.87Å; N189-E192 WeakPolarHBondContact CB-OE2 3.31Å; N189-E192 PolarHBondContact ND2-OE2 3.03Å; N189-E192 WeakPolarHBondContact O-CB 3.33Å; N189-E192 PolarHBondContact O-N 3.4Å
190F89.5Confident90.9Very high5 Ų552 Ų522%0.02225%0.246CC..Hα-helixtrans-54.5-29-178.4176.3-103.4000114.6L187 Y188 E192 L193 K194 Y232 F376 L377 I380 I660L187-F190 WeakPolarHBondContact O-CB 3.16Å; Y188-F190 PolarHBondContact O-N 2.89Å; F190-E192 VanDerWaalsContact C-N 3.28Å; F190-E192 PolarHBondContact O-N 3.36Å; F190-L193 HydrophobicContact CD2-CD2 4.03Å; F190-L193 HydrophobicContact CE2-CD2 4.23Å; F190-L193 WeakPolarHBondContact O-CB 3.42Å; F190-L193 PolarHBondContact O-N 3.01Å; F190-K194 HydrophobicContact CE1-CB 4.4Å; F190-K194 PolarHBondContact O-N 3.22Å; F190-Y232 HydrophobicContact CE1-CE2 4.29Å; F190-Y232 HydrophobicContact CE2-CE2 4.46Å; F190-Y232 AromaticContact CZ-CE2 3.68Å; F190-Y232 HydrophobicContact CZ-CE2 3.68Å; F190-F376 HydrophobicContact CE2-CD1 4.26Å; F190-F376 AromaticContact CE2-CE1 3.47Å; F190-F376 HydrophobicContact CE2-CE1 3.47Å; F190-F376 VanDerWaalsContact CE2-CE1 3.47Å; F190-F376 AromaticContact CE2-CZ 3.92Å; F190-F376 HydrophobicContact CE2-CZ 3.92Å; F190-F376 AromaticContact CZ-CD1 3.78Å; F190-F376 HydrophobicContact CZ-CD1 3.78Å; F190-F376 AromaticContact CZ-CE1 3.45Å; F190-F376 HydrophobicContact CZ-CE1 3.45Å; F190-F376 VanDerWaalsContact CZ-CE1 3.45Å; F190-F376 HydrophobicContact CZ-CZ 4.28Å; F190-L377 HydrophobicContact CD1-CD2 4.15Å; F190-L377 HydrophobicContact CE1-CD2 3.61Å; F190-I380 HydrophobicContact CD1-CD1 3.82Å; F190-I380 HydrophobicContact CD2-CD1 3.49Å; F190-I380 VanDerWaalsContact CD2-CD1 3.49Å; F190-I380 HydrophobicContact CE1-CD1 3.7Å; F190-I380 HydrophobicContact CE2-CD1 3.36Å; F190-I380 HydrophobicContact CG-CD1 3.7Å; F190-I380 HydrophobicContact CZ-CD1 3.44Å; F190-I380 VanDerWaalsContact CZ-CD1 3.44Å; F190-I660 HydrophobicContact CD2-CD1 3.95Å; F190-I660 HydrophobicContact CE2-CD1 4.14Å
191N88.6Confident90.6Very high120 Ų12053.4 Ų53.464%0.64226%0.255SS*.Hα-helixtrans-65-30.8178.7-67.8-28.6000113N189 K195N189-N191 PolarHBondContact O-N 2.87Å; N191-K195 PolarHBondContact O-N 3.47Å
192E88.3Confident90.3Very high123 Ų12352.9 Ų52.958%0.57525%0.25SS*.Hα-helixtrans-67.4-47.7173.9-57.2177.3141.400109.7N189 F190 K194 K195 E196N189-E192 WeakPolarHBondContact CB-OE2 3.31Å; N189-E192 PolarHBondContact ND2-OE2 3.03Å; N189-E192 WeakPolarHBondContact O-CB 3.33Å; N189-E192 PolarHBondContact O-N 3.4Å; F190-E192 VanDerWaalsContact C-N 3.28Å; F190-E192 PolarHBondContact O-N 3.36Å; E192-K194 PolarHBondContact O-N 3.23Å; E192-K195 WeakPolarHBondContact O-CB 3.49Å; E192-K195 PolarHBondContact O-N 2.68Å; E192-E196 PolarHBondContact O-N 3.35Å
193L89.4Confident89.7Confident8 Ų851.3 Ų51.34%0.04224%0.242CC..Hα-helixtrans-60.7-40.9175.1175.667.3000112.6F190 K195 E196 L197 I660 L663F190-L193 HydrophobicContact CD2-CD2 4.03Å; F190-L193 HydrophobicContact CE2-CD2 4.23Å; F190-L193 WeakPolarHBondContact O-CB 3.42Å; F190-L193 PolarHBondContact O-N 3.01Å; L193-K195 VanDerWaalsContact C-N 3.28Å; L193-K195 PolarHBondContact O-N 3.32Å; L193-E196 PolarHBondContact O-N 2.98Å; L193-L197 HydrophobicContact CD1-CD1 3.76Å; L193-L197 HydrophobicContact CD1-CD2 4.32Å; L193-L197 HydrophobicContact CD1-CG 3.76Å; L193-L197 HydrophobicContact CD2-CD1 4.36Å; L193-L197 HydrophobicContact CG-CD1 3.8Å; L193-L197 HydrophobicContact CG-CG 4.18Å; L193-L197 WeakPolarHBondContact O-CB 3.4Å; L193-L197 VanDerWaalsContact O-CG 3.32Å; L193-L197 WeakPolarHBondContact O-CG 3.28Å; L193-L197 PolarHBondContact O-N 2.59Å; L193-I660 HydrophobicContact CD2-CD1 4.41Å; L193-I660 HydrophobicContact CD2-CG2 3.96Å; L193-L663 HydrophobicContact CD1-CB 4.14Å; L193-L663 HydrophobicContact CD2-CB 3.75Å; L193-L663 HydrophobicContact CD2-CD1 4.5Å; L193-L663 HydrophobicContact CG-CB 4.46Å
194K92.3Very high88.6Confident63 Ų6354.7 Ų54.727%0.27427%0.268SS..Hα-helixtrans-54.5-48.2174.7171.4172.7-172.8177.30110.2F190 E192 S198 Y232 E373F190-K194 HydrophobicContact CE1-CB 4.4Å; F190-K194 PolarHBondContact O-N 3.22Å; E192-K194 PolarHBondContact O-N 3.23Å; K194-S198 WeakPolarHBondContact O-CB 3.39Å; K194-S198 PolarHBondContact O-N 2.73Å; K194-S198 PolarHBondContact O-OG 2.91Å; K194-Y232 HydrophobicContact CB-CD2 4.19Å; K194-Y232 HydrophobicContact CB-CE2 3.72Å; K194-Y232 HydrophobicContact CD-CE1 4.05Å; K194-Y232 HydrophobicContact CD-CE2 4.14Å; K194-Y232 HydrophobicContact CG-CD1 4.39Å; K194-Y232 HydrophobicContact CG-CD2 3.99Å; K194-Y232 HydrophobicContact CG-CE1 4.02Å; K194-Y232 HydrophobicContact CG-CE2 3.57Å; K194-Y232 HydrophobicContact CG-CG 4.37Å; K194-E373 WeakPolarHBondContact CE-OE2 3.33Å; K194-E373 IonicContact NZ-OE1 2.77Å; K194-E373 PolarHBondContact NZ-OE1 3.03Å; K194-E373 IonicContact NZ-OE2 3.36Å; K194-E373 PolarHBondContact NZ-OE2 2.87Å
195K90Very high87.7Confident131 Ų13155.5 Ų55.557%0.5727%0.272SS*.Hα-helixtrans-60.2-55.4178.4-175.8-178.6170.9-177.30110.8N191 E192 L193 L197 S198 E199N191-K195 PolarHBondContact O-N 3.47Å; E192-K195 WeakPolarHBondContact O-CB 3.49Å; E192-K195 PolarHBondContact O-N 2.68Å; L193-K195 VanDerWaalsContact C-N 3.28Å; L193-K195 PolarHBondContact O-N 3.32Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 2.95Å; K195-S198 PolarHBondContact O-N 3.3Å; K195-S198 PolarHBondContact O-OG 3.04Å; K195-E199 WeakPolarHBondContact CE-OE1 3.44Å; K195-E199 IonicContact NZ-OE1 3.05Å; K195-E199 PolarHBondContact O-N 3.05Å; K195-E199 VanDerWaalsContact O-N 3.14Å
196E88.4Confident86.7Confident109 Ų10949.3 Ų49.351%0.50925%0.249SC..Hα-helixtrans-56.3-40.2-179.1-69-168.6159.100113.2E192 L193 L200E192-E196 PolarHBondContact O-N 3.35Å; L193-E196 PolarHBondContact O-N 2.98Å; E196-L200 WeakPolarHBondContact O-CG 3.31Å
197L89.8Confident85.6Confident2 Ų248.1 Ų48.11%0.0125%0.245CC..Hα-helixtrans-75.2-27.3178.1-66.8177.9000113.6L193 K195 L200 L231 Y232 L663 A666L193-L197 HydrophobicContact CD1-CD1 3.76Å; L193-L197 HydrophobicContact CD1-CD2 4.32Å; L193-L197 HydrophobicContact CD1-CG 3.76Å; L193-L197 HydrophobicContact CD2-CD1 4.36Å; L193-L197 HydrophobicContact CG-CD1 3.8Å; L193-L197 HydrophobicContact CG-CG 4.18Å; L193-L197 WeakPolarHBondContact O-CB 3.4Å; L193-L197 VanDerWaalsContact O-CG 3.32Å; L193-L197 WeakPolarHBondContact O-CG 3.28Å; L193-L197 PolarHBondContact O-N 2.59Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 2.95Å; L197-L200 HydrophobicContact CD2-CD1 4.31Å; L197-L200 PolarHBondContact O-N 2.96Å; L197-L231 HydrophobicContact CD2-CD2 4.05Å; L197-L231 HydrophobicContact CD2-CG 4.39Å; L197-Y232 HydrophobicContact CB-CD2 4.19Å; L197-Y232 HydrophobicContact CB-CG 4.46Å; L197-Y232 HydrophobicContact CD1-CD2 4.3Å; L197-Y232 PolarHBondContact O-N 3.44Å; L197-Y232 VanDerWaalsContact O-N 3.17Å; L197-L663 HydrophobicContact CD1-CB 4.24Å; L197-L663 HydrophobicContact CD1-CD2 4.14Å; L197-A666 HydrophobicContact CD2-CB 3.99Å
198S90.3Very high83.8Confident51 Ų5149.7 Ų49.736%0.35726%0.258SS..Hα-helixtrans-73.7-28.8176.171.20000112.5K194 K195 L200 N230K194-S198 WeakPolarHBondContact O-CB 3.39Å; K194-S198 PolarHBondContact O-N 2.73Å; K194-S198 PolarHBondContact O-OG 2.91Å; K195-S198 PolarHBondContact O-N 3.3Å; K195-S198 PolarHBondContact O-OG 3.04Å; S198-L200 PolarHBondContact O-N 2.92Å; S198-N230 WeakPolarHBondContact O-CB 3.29Å
199E89.7Confident81.7Confident83 Ų8348.1 Ų48.139%0.38826%0.258SS..THydrogen-bonded Turntrans-760.5174.7-65.4177.4-169.200113.2K195 P201 P951K195-E199 WeakPolarHBondContact CE-OE1 3.44Å; K195-E199 IonicContact NZ-OE1 3.05Å; K195-E199 PolarHBondContact O-N 3.05Å; K195-E199 VanDerWaalsContact O-N 3.14Å; E199-P201 WeakPolarHBondContact O-CD 3.41Å; E199-P951 HydrophobicContact CB-CG 3.65Å; E199-P951 WeakPolarHBondContact O-CD 3.05Å
200L89.6Confident79.8Confident3 Ų346.9 Ų46.92%0.01625%0.252CS..SBendtrans-102.895.4179.6-67.8174000111.8E196 L197 S198 N230 L231 Y670 M950 I954E196-L200 WeakPolarHBondContact O-CG 3.31Å; L197-L200 HydrophobicContact CD2-CD1 4.31Å; L197-L200 PolarHBondContact O-N 2.96Å; S198-L200 PolarHBondContact O-N 2.92Å; L200-N230 CarbonylContact O-C 3.58Å; L200-N230 WeakPolarHBondContact O-CA 3.42Å; L200-N230 WeakPolarHBondContact O-CB 3.37Å; L200-L231 HydrophobicContact CB-CB 3.95Å; L200-L231 HydrophobicContact CD1-CD2 3.92Å; L200-L231 PolarHBondContact O-N 3.41Å; L200-Y670 HydrophobicContact CD2-CD1 4.49Å; L200-M950 HydrophobicContact CD2-CG 4.42Å; L200-M950 HydrophobicContact CD2-SD 4.5Å; L200-I954 HydrophobicContact CD2-CB 4.43Å; L200-I954 HydrophobicContact CD2-CG1 4.3Å; L200-I954 HydrophobicContact CD2-CG2 4.02Å
201P88.9Confident77.3Confident28 Ų2849.5 Ų49.518%0.18227%0.271CS..BIsolated β-bridgetrans-68.8143.9-179.728.2-36.3000112.6E199 Y670 L946 M950E199-P201 WeakPolarHBondContact O-CD 3.41Å; P201-Y670 PolarHBondContact O-OH 3.24Å; P201-L946 HydrophobicContact CB-CD1 4.11Å; P201-L946 HydrophobicContact CG-CD1 3.85Å; P201-L946 HydrophobicContact CG-CG 4.18Å; P201-M950 HydrophobicContact CG-CG 4.07Å
202L86.2Confident74.7Confident12 Ų1250.4 Ų50.46%0.06327%0.272CS..PPolyproline II helixtrans-95.5119175-70.8171.6000110.9V207 P228 T229 N230 L231 W234 Y670 L724L202-V207 HydrophobicContact CB-CG2 4.2Å; L202-V207 HydrophobicContact CD1-CG2 4.48Å; L202-P228 HydrophobicContact CD1-CB 4.11Å; L202-P228 HydrophobicContact CD1-CG 4.37Å; L202-P228 WeakPolarHBondContact CD1-O 3.44Å; L202-T229 PolarHBondContact N-O 3.48Å; L202-N230 VanDerWaalsContact CD1-O 3.25Å; L202-N230 WeakPolarHBondContact CD1-O 3.41Å; L202-L231 HydrophobicContact CD2-CD1 4.24Å; L202-W234 HydrophobicContact CD1-CB 3.71Å; L202-W234 HydrophobicContact CD1-CG 4.38Å; L202-Y670 HydrophobicContact CD2-CE2 3.88Å; L202-L724 HydrophobicContact CD2-CD2 3.85Å
203P82.1Confident72.5Confident6 Ų650.8 Ų50.84%0.03928%0.276CS..PPolyproline II helixtrans-51.3128167.5-29.134.8000111.2Q205 L206 Y670 L674 I938 L946P203-Q205 PolarHBondContact O-N 2.81Å; P203-L206 HydrophobicContact CB-CG 4.32Å; P203-L206 HydrophobicContact CG-CD1 4.37Å; P203-L206 PolarHBondContact O-N 3.49Å; P203-Y670 WeakPolarHBondContact CD-OH 3.17Å; P203-L674 HydrophobicContact CG-CD2 4.14Å; P203-I938 HydrophobicContact CB-CD1 4.28Å; P203-L946 HydrophobicContact CG-CD1 4.14Å; P203-L946 HydrophobicContact CG-CD2 3.67Å
204P70Confident69.8Low100 Ų10055.4 Ų55.465%0.64930%0.304SS*.Hα-helixtrans-51.1-29.4175.6-29.936.1000113.4V207 A208P204-V207 PolarHBondContact O-N 3.09Å; P204-A208 WeakPolarHBondContact O-CB 3.46Å; P204-A208 PolarHBondContact O-N 2.87Å
205Q74.2Confident66.8Low33 Ų3357 Ų5715%0.15432%0.316CS..Hα-helixtrans-57.6-44.5174.2-58.589.9-27.200112.7P203 G209 V936 I938P203-Q205 PolarHBondContact O-N 2.81Å; Q205-G209 PolarHBondContact O-N 2.88Å; Q205-V936 HydrophobicContact CB-CG1 3.9Å; Q205-V936 HydrophobicContact CG-CG1 3.37Å; Q205-I938 HydrophobicContact CB-CD1 3.95Å; Q205-I938 HydrophobicContact CB-CG1 3.59Å; Q205-I938 HydrophobicContact CG-CG1 3.88Å
206L71.7Confident64Low0 Ų059.7 Ų59.70%033%0.331CS..Hα-helixtrans-67.2-38178.5-67.3-176.5000111.8P203 Y670 L674 I677 L724 F725 W728 I938P203-L206 HydrophobicContact CB-CG 4.32Å; P203-L206 HydrophobicContact CG-CD1 4.37Å; P203-L206 PolarHBondContact O-N 3.49Å; L206-Y670 HydrophobicContact CD1-CE2 4.21Å; L206-L674 HydrophobicContact CD1-CD2 4.07Å; L206-I677 HydrophobicContact CD2-CD1 3.76Å; L206-L724 HydrophobicContact CB-CD1 4.33Å; L206-F725 HydrophobicContact CD1-CD1 4.41Å; L206-F725 HydrophobicContact CD1-CE1 3.54Å; L206-F725 HydrophobicContact CD1-CZ 3.93Å; L206-F725 HydrophobicContact CD2-CD1 4.08Å; L206-F725 HydrophobicContact CD2-CE1 3.85Å; L206-F725 HydrophobicContact CG-CE1 4.38Å; L206-W728 HydrophobicContact CD2-CD2 4.46Å; L206-W728 HydrophobicContact CD2-CG 4.37Å; L206-I938 HydrophobicContact CD2-CD1 3.85Å; L206-I938 HydrophobicContact CG-CD1 4.04Å
207V67.5Low61.3Low24 Ų2463 Ų6315%0.14534%0.344CS..Hα-helixtrans-73.1-45179.3-172.80000110.3L202 P204 G209 T210 K227L202-V207 HydrophobicContact CB-CG2 4.2Å; L202-V207 HydrophobicContact CD1-CG2 4.48Å; P204-V207 PolarHBondContact O-N 3.09Å; V207-G209 PolarHBondContact O-N 2.62Å; V207-T210 PolarHBondContact O-N 3.3Å; V207-T210 PolarHBondContact O-OG1 3.2Å; V207-K227 HydrophobicContact CG1-CB 4.32Å
208A53.7Low58.4Low35 Ų3571.3 Ų71.329%0.28938%0.382SS..Hα-helixtrans-62.8-39.7178.700000113.1P204 T210 S211P204-A208 WeakPolarHBondContact O-CB 3.46Å; P204-A208 PolarHBondContact O-N 2.87Å; A208-T210 PolarHBondContact O-N 2.67Å; A208-S211 WeakPolarHBondContact O-CB 3.04Å; A208-S211 PolarHBondContact O-N 3.17Å
209G48.2Very low55.4Low18 Ų1874.5 Ų74.519%0.18640%0.404CS..THydrogen-bonded Turntrans-62-8.2178.300000115.4Q205 V207Q205-G209 PolarHBondContact O-N 2.88Å; V207-G209 PolarHBondContact O-N 2.62Å
210T47.1Very low52.5Low31 Ų3178.8 Ų78.819%0.1942%0.422CS..THydrogen-bonded Turntrans-80.6-29.9167.866.50000112.9V207 A208 A257V207-T210 PolarHBondContact O-N 3.3Å; V207-T210 PolarHBondContact O-OG1 3.2Å; A208-T210 PolarHBondContact O-N 2.67Å; T210-A257 VanDerWaalsContact O-O 3.12Å
211S36.7Very low49.9Very low60 Ų6085.9 Ų85.942%0.4246%0.46SS..THydrogen-bonded Turntrans-89-27-169.6-58.10000114.1A208 I213 V214A208-S211 WeakPolarHBondContact O-CB 3.04Å; A208-S211 PolarHBondContact O-N 3.17Å; S211-I213 PolarHBondContact O-N 2.82Å; S211-V214 PolarHBondContact O-N 3.06Å
212E35.5Very low47.4Very low139 Ų13989.8 Ų89.865%0.6547%0.474SS*.THydrogen-bonded Turntrans-70.91.4-170.5-65.1-172.2150.800115.5V214E212-V214 VanDerWaalsContact C-N 3.26Å; E212-V214 PolarHBondContact O-N 2.78Å
213I40.5Very low45.3Very low131 Ų13196 Ų9667%0.67251%0.507SS*.THydrogen-bonded Turntrans-75.9-16.6172.8-65.3178.6000111.8S211 D215 R1099S211-I213 PolarHBondContact O-N 2.82Å; I213-D215 PolarHBondContact O-N 3.45Å; I213-R1099 PolarHBondContact O-NH2 3.23Å; I213-R1099 VanDerWaalsContact O-NH2 3.13Å
214V33.6Very low43.7Very low104 Ų104102.1 Ų102.163%0.6354%0.54SS*.SBendtrans-88.592.9-178.6-173.30000111.6S211 E212 Q216S211-V214 PolarHBondContact O-N 3.06Å; E212-V214 VanDerWaalsContact C-N 3.26Å; E212-V214 PolarHBondContact O-N 2.78Å; V214-Q216 PolarHBondContact O-N 2.87Å
215D30.1Very low43.1Very low98 Ų98100.1 Ų100.152%0.52452%0.524SS..  trans-69109.9173.6-91.6-65.3000112.7I213 K217 R1099I213-D215 PolarHBondContact O-N 3.45Å; D215-K217 VanDerWaalsContact C-N 3.31Å; D215-K217 PolarHBondContact O-N 2.96Å; D215-R1099 IonicContact OD2-CZ 2.73Å; D215-R1099 IonicContact OD2-NH1 3.3Å; D215-R1099 PolarHBondContact OD2-NH1 3.46Å; D215-R1099 IonicContact OD2-NH2 3.51Å; D215-R1099 PolarHBondContact OD2-NH2 2.85Å
216Q30.7Very low42.6Very low186 Ų186100.6 Ų100.687%0.86953%0.529SS*.SBendtrans38.729.6141.3-56.1-166.94.800120.8V214V214-Q216 PolarHBondContact O-N 2.87Å
217K31.4Very low42.7Very low180 Ų180108 Ų10878%0.78356%0.561SS**  trans-156.457.9168.7-135.1172-171.2176.40118.3D215D215-K217 VanDerWaalsContact C-N 3.31Å; D215-K217 PolarHBondContact O-N 2.96Å
218E28.7Very low43.4Very low175 Ų175107.3 Ų107.382%0.81856%0.557SS**  trans-167.7108.1147-112.6159.1-14600111.2
219S27.2Very low44.8Very low118 Ų118109.9 Ų109.983%0.82557%0.57SS**  trans-99.186.7-178.8580000111.3
220F29.3Very low46.8Very low173 Ų173110.2 Ų110.276%0.75957%0.567SS**  trans-130.3154.2169.4-76.7-78000110.9F222F220-F222 WeakPolarHBondContact O-CD2 3.42Å; F220-F222 PolarHBondContact O-N 2.86Å
221N33.8Very low48.8Very low153 Ų153108.8 Ų108.882%0.81856%0.558SS**  trans-58.9105.9-161.1-72.9-18.1000114.8
222F37.8Very low51.4Low109 Ų109106.4 Ų106.448%0.47854%0.54SS..  trans-102.91.9167.7-86-75.7000113.6F220 N224 S253F220-F222 WeakPolarHBondContact O-CD2 3.42Å; F220-F222 PolarHBondContact O-N 2.86Å; F222-N224 PolarHBondContact O-N 3.45Å; F222-N224 VanDerWaalsContact O-N 3.08Å; F222-S253 WeakPolarHBondContact CE1-OG 3.47Å
223N41.2Very low53.9Low142 Ų142100.6 Ų100.676%0.75951%0.513SS*.THydrogen-bonded Turntrans-73.3-2.4-164.4-64-4.8000115.7
224N48.8Very low56.2Low136 Ų13694.9 Ų94.973%0.72748%0.483SS*.THydrogen-bonded Turntrans-1063.9-167.8-67.633.5000114.6F222F222-N224 PolarHBondContact O-N 3.45Å; F222-N224 VanDerWaalsContact O-N 3.08Å
225I57.3Low58.8Low58 Ų5890 Ų9030%0.29745%0.453SS..SBendtrans-99.7121.1170.2-60.8179.3000107.9K227 L237 L250 T254I225-K227 PolarHBondContact O-N 3.43Å; I225-L237 HydrophobicContact CG2-CD1 4.38Å; I225-L250 HydrophobicContact CD1-CD2 4.33Å; I225-T254 HydrophobicContact CD1-CG2 3.68Å; I225-T254 WeakPolarHBondContact CD1-OG1 3.46Å
226P64.1Low61.6Low42 Ų4285.3 Ų85.327%0.27343%0.429SS..PPolyproline II helixtrans-55.1133.9173.6-24.133.2000110.9A368P226-A368 HydrophobicContact CG-CB 3.84Å
227K72.8Confident64.1Low155 Ų15577.3 Ų77.367%0.67439%0.392SS*.PPolyproline II helixtrans-77.4123.7170.5-71.9-176.6179.6-179.70107.4V207 I225 T229V207-K227 HydrophobicContact CG1-CB 4.32Å; I225-K227 PolarHBondContact O-N 3.43Å; K227-T229 PolarHBondContact O-N 2.85Å; K227-T229 VanDerWaalsContact O-N 3.14Å
228P82.7Confident66.4Low10 Ų1068.9 Ų68.97%0.06536%0.355CS..PPolyproline II helixtrans-62.1121.5-173.824.5-33.9000110.7L202 E233 W234 L237L202-P228 HydrophobicContact CD1-CB 4.11Å; L202-P228 HydrophobicContact CD1-CG 4.37Å; L202-P228 WeakPolarHBondContact CD1-O 3.44Å; P228-E233 HydrophobicContact CB-CB 4.05Å; P228-E233 HydrophobicContact CB-CG 4.08Å; P228-W234 HydrophobicContact CB-CB 3.81Å; P228-W234 HydrophobicContact CG-CB 4.03Å; P228-W234 HydrophobicContact CG-CG 4.46Å; P228-L237 HydrophobicContact CG-CD2 4.09Å
229T84.2Confident68.8Low89 Ų8960.6 Ų60.655%0.54632%0.316SS..  trans-84.1-27-175.963.60000112.3L202 K227 E233L202-T229 PolarHBondContact N-O 3.48Å; K227-T229 PolarHBondContact O-N 2.85Å; K227-T229 VanDerWaalsContact O-N 3.14Å; T229-E233 WeakPolarHBondContact CB-OE2 3.46Å; T229-E233 PolarHBondContact N-OE2 2.86Å; T229-E233 PolarHBondContact OG1-OE2 3.28Å
230N89.4Confident71.2Confident26 Ų2655 Ų5514%0.13928%0.278CS..BIsolated β-bridgetrans-139.1165.9-175.264.378.3000111.1S198 L200 L202 Y232 E233 W234S198-N230 WeakPolarHBondContact O-CB 3.29Å; L200-N230 CarbonylContact O-C 3.58Å; L200-N230 WeakPolarHBondContact O-CA 3.42Å; L200-N230 WeakPolarHBondContact O-CB 3.37Å; L202-N230 VanDerWaalsContact CD1-O 3.25Å; L202-N230 WeakPolarHBondContact CD1-O 3.41Å; N230-Y232 PolarHBondContact O-N 3.11Å; N230-Y232 WeakPolarHBondContact OD1-CB 3.41Å; N230-Y232 PolarHBondContact OD1-N 3.03Å; N230-E233 PolarHBondContact ND2-OE2 3.45Å; N230-E233 PolarHBondContact O-N 3.02Å; N230-E233 WeakPolarHBondContact OD1-CB 3.48Å; N230-E233 PolarHBondContact OD1-N 3.09Å; N230-W234 PolarHBondContact O-N 2.82Å
231L89.1Confident73.3Confident0 Ų048.2 Ų48.20%025%0.249CC..Hα-helixtrans-67.3-34.2-172-170.257.8000112.9L197 L200 L202 W234 V235 A666 Y670 L721 L724L197-L231 HydrophobicContact CD2-CD2 4.05Å; L197-L231 HydrophobicContact CD2-CG 4.39Å; L200-L231 HydrophobicContact CB-CB 3.95Å; L200-L231 HydrophobicContact CD1-CD2 3.92Å; L200-L231 PolarHBondContact O-N 3.41Å; L202-L231 HydrophobicContact CD2-CD1 4.24Å; L231-W234 HydrophobicContact CD1-CE3 4.03Å; L231-W234 PolarHBondContact O-N 2.57Å; L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 3Å; L231-A666 HydrophobicContact CD2-CB 4.14Å; L231-Y670 HydrophobicContact CD2-CD2 4.29Å; L231-Y670 HydrophobicContact CD2-CG 4.27Å; L231-L721 HydrophobicContact CD1-CD2 3.76Å; L231-L721 HydrophobicContact CD2-CD2 4.2Å; L231-L721 HydrophobicContact CG-CD2 4.46Å; L231-L724 HydrophobicContact CD1-CD2 4.07Å
232Y91.4Very high74.9Confident10 Ų1041.5 Ų41.54%0.03921%0.214CC..Hα-helixtrans-61.3-48.6174.5-178.6-98.9000112.1F190 K194 L197 N230 W234 V235 C236 E373 F376F190-Y232 HydrophobicContact CE1-CE2 4.29Å; F190-Y232 HydrophobicContact CE2-CE2 4.46Å; F190-Y232 AromaticContact CZ-CE2 3.68Å; F190-Y232 HydrophobicContact CZ-CE2 3.68Å; K194-Y232 HydrophobicContact CB-CD2 4.19Å; K194-Y232 HydrophobicContact CB-CE2 3.72Å; K194-Y232 HydrophobicContact CD-CE1 4.05Å; K194-Y232 HydrophobicContact CD-CE2 4.14Å; K194-Y232 HydrophobicContact CG-CD1 4.39Å; K194-Y232 HydrophobicContact CG-CD2 3.99Å; K194-Y232 HydrophobicContact CG-CE1 4.02Å; K194-Y232 HydrophobicContact CG-CE2 3.57Å; K194-Y232 HydrophobicContact CG-CG 4.37Å; L197-Y232 HydrophobicContact CB-CD2 4.19Å; L197-Y232 HydrophobicContact CB-CG 4.46Å; L197-Y232 HydrophobicContact CD1-CD2 4.3Å; L197-Y232 PolarHBondContact O-N 3.44Å; L197-Y232 VanDerWaalsContact O-N 3.17Å; N230-Y232 PolarHBondContact O-N 3.11Å; N230-Y232 WeakPolarHBondContact OD1-CB 3.41Å; N230-Y232 PolarHBondContact OD1-N 3.03Å; Y232-W234 VanDerWaalsContact C-N 3.29Å; Y232-W234 PolarHBondContact O-N 3.45Å; Y232-V235 PolarHBondContact O-N 2.68Å; Y232-V235 VanDerWaalsContact O-N 3.12Å; Y232-C236 WeakPolarHBondContact CE1-SG 3.45Å; Y232-C236 PolarHBondContact O-N 2.72Å; Y232-C236 PolarHBondContact O-SG 3.13Å; Y232-E373 HydrophobicContact CE1-CG 4.19Å; Y232-E373 WeakPolarHBondContact CE1-OE2 3.3Å; Y232-E373 VanDerWaalsContact OH-CD 3.29Å; Y232-E373 WeakPolarHBondContact OH-CG 3.5Å; Y232-E373 PolarHBondContact OH-OE1 3.49Å; Y232-F376 HydrophobicContact CE2-CE1 4.46Å
233E89Confident75.9Confident18 Ų1837.5 Ų37.58%0.08420%0.2CC..Hα-helixtrans-58.9-41179.4-162.5-175.8165.900111.4P228 T229 N230 C236 L237 Y372P228-E233 HydrophobicContact CB-CB 4.05Å; P228-E233 HydrophobicContact CB-CG 4.08Å; T229-E233 WeakPolarHBondContact CB-OE2 3.46Å; T229-E233 PolarHBondContact N-OE2 2.86Å; T229-E233 PolarHBondContact OG1-OE2 3.28Å; N230-E233 PolarHBondContact ND2-OE2 3.45Å; N230-E233 PolarHBondContact O-N 3.02Å; N230-E233 WeakPolarHBondContact OD1-CB 3.48Å; N230-E233 PolarHBondContact OD1-N 3.09Å; E233-C236 PolarHBondContact O-N 3.45Å; E233-L237 WeakPolarHBondContact O-CB 3.29Å; E233-L237 PolarHBondContact O-N 3.12Å; E233-Y372 HydrophobicContact CG-CE2 3.65Å; E233-Y372 WeakPolarHBondContact CG-OH 3.41Å; E233-Y372 PolarHBondContact OE1-OH 3.29Å
234W88.1Confident76.4Confident10 Ų1032.4 Ų32.44%0.03817%0.172CC..Hα-helixtrans-64.4-45.1173.3177.988.6000112.4L202 P228 N230 L231 Y232 C236 L237 Q238 L260 I263 L721 S723 L724L202-W234 HydrophobicContact CD1-CB 3.71Å; L202-W234 HydrophobicContact CD1-CG 4.38Å; P228-W234 HydrophobicContact CB-CB 3.81Å; P228-W234 HydrophobicContact CG-CB 4.03Å; P228-W234 HydrophobicContact CG-CG 4.46Å; N230-W234 PolarHBondContact O-N 2.82Å; L231-W234 HydrophobicContact CD1-CE3 4.03Å; L231-W234 PolarHBondContact O-N 2.57Å; Y232-W234 VanDerWaalsContact C-N 3.29Å; Y232-W234 PolarHBondContact O-N 3.45Å; W234-C236 VanDerWaalsContact C-N 3.3Å; W234-C236 PolarHBondContact O-N 2.82Å; W234-L237 PolarHBondContact O-N 2.97Å; W234-Q238 HydrophobicContact CD2-CG 3.88Å; W234-Q238 HydrophobicContact CE3-CG 4.27Å; W234-Q238 HydrophobicContact CG-CG 4.44Å; W234-Q238 HydrophobicContact CH2-CG 4.03Å; W234-Q238 HydrophobicContact CZ2-CG 3.62Å; W234-Q238 HydrophobicContact CZ3-CG 4.34Å; W234-Q238 VanDerWaalsContact O-CG 3.3Å; W234-Q238 WeakPolarHBondContact O-CG 3.42Å; W234-Q238 PolarHBondContact O-N 3.49Å; W234-L260 HydrophobicContact CZ2-CD1 4.16Å; W234-I263 HydrophobicContact CH2-CD1 3.81Å; W234-I263 HydrophobicContact CZ3-CD1 3.92Å; W234-L721 HydrophobicContact CZ3-CD2 4.15Å; W234-S723 VanDerWaalsContact CH2-OG 3.25Å; W234-S723 WeakPolarHBondContact CH2-OG 3.34Å; W234-S723 VanDerWaalsContact CZ2-OG 3.29Å; W234-S723 WeakPolarHBondContact CZ2-OG 3.49Å; W234-L724 HydrophobicContact CH2-CB 3.98Å; W234-L724 HydrophobicContact CZ2-CB 3.63Å
235V87.2Confident76.2Confident1 Ų129.6 Ų29.61%0.00618%0.175CC..Hα-helixtrans-60.1-41177.31710000111.5L231 Y232 Q238 S239 F376 L663L231-V235 WeakPolarHBondContact O-CG2 3.44Å; L231-V235 PolarHBondContact O-N 3Å; Y232-V235 PolarHBondContact O-N 2.68Å; Y232-V235 VanDerWaalsContact O-N 3.12Å; V235-Q238 PolarHBondContact O-N 3.32Å; V235-S239 WeakPolarHBondContact O-CB 3.4Å; V235-S239 PolarHBondContact O-N 3.46Å; V235-S239 PolarHBondContact O-OG 3.04Å; V235-F376 HydrophobicContact CG1-CD1 4.35Å; V235-F376 HydrophobicContact CG1-CE1 3.78Å; V235-F376 HydrophobicContact CG1-CE2 4.37Å; V235-F376 HydrophobicContact CG1-CZ 3.82Å; V235-L663 HydrophobicContact CB-CD2 4.46Å; V235-L663 HydrophobicContact CG1-CD1 3.95Å; V235-L663 HydrophobicContact CG1-CD2 4.04Å; V235-L663 HydrophobicContact CG2-CD2 3.57Å
236C89.1Confident75.4Confident1 Ų130.8 Ų30.81%0.00719%0.185CC..Hα-helixtrans-65.4-47.7176.5-63.50000111.4Y232 E233 W234 Q238 S239 A240 Y372 F376Y232-C236 WeakPolarHBondContact CE1-SG 3.45Å; Y232-C236 PolarHBondContact O-N 2.72Å; Y232-C236 PolarHBondContact O-SG 3.13Å; E233-C236 PolarHBondContact O-N 3.45Å; W234-C236 VanDerWaalsContact C-N 3.3Å; W234-C236 PolarHBondContact O-N 2.82Å; C236-Q238 VanDerWaalsContact C-N 3.33Å; C236-Q238 PolarHBondContact O-N 2.91Å; C236-S239 WeakPolarHBondContact O-CA 3.35Å; C236-S239 WeakPolarHBondContact O-CB 3.36Å; C236-S239 PolarHBondContact O-N 2.88Å; C236-A240 PolarHBondContact O-N 3.13Å; C236-Y372 HydrophobicContact CB-CD2 3.66Å; C236-Y372 HydrophobicContact CB-CE2 4.44Å; C236-F376 HydrophobicContact CB-CB 4.49Å
237L84.3Confident74.2Confident17 Ų1736.7 Ų36.79%0.08920%0.202CC..Hα-helixtrans-56.7-44.2174.8177.761.7000112.1I225 P228 E233 W234 S239 A240 I241 Y372I225-L237 HydrophobicContact CG2-CD1 4.38Å; P228-L237 HydrophobicContact CG-CD2 4.09Å; E233-L237 WeakPolarHBondContact O-CB 3.29Å; E233-L237 PolarHBondContact O-N 3.12Å; W234-L237 PolarHBondContact O-N 2.97Å; L237-S239 VanDerWaalsContact C-N 3.31Å; L237-S239 PolarHBondContact O-N 3.45Å; L237-A240 PolarHBondContact O-N 3.4Å; L237-I241 HydrophobicContact CD1-CD1 4.06Å; L237-I241 HydrophobicContact CD1-CG1 4.4Å; L237-I241 HydrophobicContact CG-CD1 3.96Å; L237-I241 VanDerWaalsContact O-CG1 3.27Å; L237-I241 WeakPolarHBondContact O-CG1 3.39Å; L237-I241 PolarHBondContact O-N 3.31Å; L237-Y372 HydrophobicContact CB-CD1 4.42Å; L237-Y372 HydrophobicContact CB-CG 4.35Å; L237-Y372 HydrophobicContact CD1-CD1 4Å; L237-Y372 HydrophobicContact CD1-CE1 4.38Å
238Q78.7Confident72.8Confident4 Ų432.1 Ų32.12%0.01918%0.181CC..Hα-helixtrans-65.3-33.5175.2-67.4-46.2-61.300113.1W234 V235 C236 S242 L260 I263W234-Q238 HydrophobicContact CD2-CG 3.88Å; W234-Q238 HydrophobicContact CE3-CG 4.27Å; W234-Q238 HydrophobicContact CG-CG 4.44Å; W234-Q238 HydrophobicContact CH2-CG 4.03Å; W234-Q238 HydrophobicContact CZ2-CG 3.62Å; W234-Q238 HydrophobicContact CZ3-CG 4.34Å; W234-Q238 VanDerWaalsContact O-CG 3.3Å; W234-Q238 WeakPolarHBondContact O-CG 3.42Å; W234-Q238 PolarHBondContact O-N 3.49Å; V235-Q238 PolarHBondContact O-N 3.32Å; C236-Q238 VanDerWaalsContact C-N 3.33Å; C236-Q238 PolarHBondContact O-N 2.91Å; Q238-S242 VanDerWaalsContact O-CB 3.31Å; Q238-S242 WeakPolarHBondContact O-CB 3.45Å; Q238-S242 PolarHBondContact O-N 2.86Å; Q238-S242 PolarHBondContact O-OG 2.87Å; Q238-L260 VanDerWaalsContact CD-CD1 3.49Å; Q238-L260 VanDerWaalsContact OE1-CD1 3.27Å; Q238-I263 HydrophobicContact CB-CB 4.24Å; Q238-I263 HydrophobicContact CB-CD1 3.33Å; Q238-I263 HydrophobicContact CB-CG1 4.37Å; Q238-I263 HydrophobicContact CB-CG2 4.16Å; Q238-I263 HydrophobicContact CG-CD1 3.72Å
239S79.7Confident70.7Confident0 Ų037.3 Ų37.30%022%0.218CC..Hα-helixtrans-69.7-40.2176.5-58.90000111.7V235 C236 L237 S242 S243 F376V235-S239 WeakPolarHBondContact O-CB 3.4Å; V235-S239 PolarHBondContact O-N 3.46Å; V235-S239 PolarHBondContact O-OG 3.04Å; C236-S239 WeakPolarHBondContact O-CA 3.35Å; C236-S239 WeakPolarHBondContact O-CB 3.36Å; C236-S239 PolarHBondContact O-N 2.88Å; L237-S239 VanDerWaalsContact C-N 3.31Å; L237-S239 PolarHBondContact O-N 3.45Å; S239-S242 PolarHBondContact O-N 2.98Å; S239-S243 WeakPolarHBondContact O-CB 3.22Å; S239-S243 PolarHBondContact O-N 3.16Å; S239-S243 VanDerWaalsContact O-N 3.08Å; S239-S243 PolarHBondContact O-OG 3.44Å; S239-F376 VanDerWaalsContact OG-CD2 3.31Å; S239-F376 WeakPolarHBondContact OG-CD2 3.31Å
240A77.4Confident68.7Low2 Ų235.2 Ų35.22%0.01720%0.203CC..Hα-helixtrans-64.7-47.6172.400000112.1C236 L237 S242 S243 I244 A375C236-A240 PolarHBondContact O-N 3.13Å; L237-A240 PolarHBondContact O-N 3.4Å; A240-S242 VanDerWaalsContact C-N 3.27Å; A240-S242 PolarHBondContact O-N 2.94Å; A240-S243 CarbonylContact O-C 3.4Å; A240-S243 WeakPolarHBondContact O-CA 3.38Å; A240-S243 WeakPolarHBondContact O-CB 3.25Å; A240-S243 PolarHBondContact O-N 3.02Å; A240-I244 VanDerWaalsContact O-CD1 3.27Å; A240-I244 WeakPolarHBondContact O-CD1 3.45Å; A240-I244 PolarHBondContact O-N 3.45Å; A240-A375 HydrophobicContact CB-CB 4.1Å
241I73.5Confident66.5Low29 Ų2937.7 Ų37.715%0.14922%0.22CC..Hα-helixtrans-57.4-41175.3-69.8165.9000111.2L237 S243 I244 L250 V258L237-I241 HydrophobicContact CD1-CD1 4.06Å; L237-I241 HydrophobicContact CD1-CG1 4.4Å; L237-I241 HydrophobicContact CG-CD1 3.96Å; L237-I241 VanDerWaalsContact O-CG1 3.27Å; L237-I241 WeakPolarHBondContact O-CG1 3.39Å; L237-I241 PolarHBondContact O-N 3.31Å; I241-S243 PolarHBondContact O-N 3.07Å; I241-I244 PolarHBondContact O-N 3.02Å; I241-L250 HydrophobicContact CG1-CD2 4.35Å; I241-V258 HydrophobicContact CD1-CG1 4.21Å
242S66.7Low64Low13 Ų1342 Ų429%0.09125%0.25CS..Hα-helixtrans-69.2-22176.3-59.90000113.5Q238 S239 A240 A264Q238-S242 VanDerWaalsContact O-CB 3.31Å; Q238-S242 WeakPolarHBondContact O-CB 3.45Å; Q238-S242 PolarHBondContact O-N 2.86Å; Q238-S242 PolarHBondContact O-OG 2.87Å; S239-S242 PolarHBondContact O-N 2.98Å; A240-S242 VanDerWaalsContact C-N 3.27Å; A240-S242 PolarHBondContact O-N 2.94Å; S242-A264 PolarHBondContact OG-N 3.07Å
243S60.5Low61.6Low25 Ų2544.2 Ų44.218%0.17527%0.267CS..THydrogen-bonded Turntrans-93.41.1-179.3-57.10000113.9S239 A240 I241 G245 T246S239-S243 WeakPolarHBondContact O-CB 3.22Å; S239-S243 PolarHBondContact O-N 3.16Å; S239-S243 VanDerWaalsContact O-N 3.08Å; S239-S243 PolarHBondContact O-OG 3.44Å; A240-S243 CarbonylContact O-C 3.4Å; A240-S243 WeakPolarHBondContact O-CA 3.38Å; A240-S243 WeakPolarHBondContact O-CB 3.25Å; A240-S243 PolarHBondContact O-N 3.02Å; I241-S243 PolarHBondContact O-N 3.07Å; S243-G245 PolarHBondContact O-N 3.26Å; S243-T246 PolarHBondContact O-N 3.49Å; S243-T246 VanDerWaalsContact O-N 3.1Å
244I50Low59.4Low35 Ų3544.1 Ų44.118%0.17927%0.268CS..THydrogen-bonded Turntrans-60.5113.8173.2-101.161.6000109.2A240 I241 Y248 L250 I255A240-I244 VanDerWaalsContact O-CD1 3.27Å; A240-I244 WeakPolarHBondContact O-CD1 3.45Å; A240-I244 PolarHBondContact O-N 3.45Å; I241-I244 PolarHBondContact O-N 3.02Å; I244-Y248 WeakPolarHBondContact CD1-O 3.43Å; I244-L250 HydrophobicContact CD1-CB 4.17Å; I244-L250 HydrophobicContact CD1-CD1 4.28Å; I244-I255 HydrophobicContact CG2-CD1 4.01Å
245G45.3Very low57.2Low76 Ų7647.2 Ų47.278%0.78429%0.285SS*.THydrogen-bonded Turntrans142.5-28.1-159.600000112.1S243S243-G245 PolarHBondContact O-N 3.26Å
246T40Very low54.8Low84 Ų8456.1 Ų56.152%0.51532%0.323SS..SBendtrans-134.8124.4171.754.50000113.1S243 Y248S243-T246 PolarHBondContact O-N 3.49Å; S243-T246 VanDerWaalsContact O-N 3.1Å; T246-Y248 PolarHBondContact O-N 3.06Å
247R39.7Very low52.3Low165 Ų16557.4 Ų57.462%0.62333%0.334SS*.SBendtrans55.5-14.5165.6-63.7-156.3-80.4-143.27.8120.6T334R247-T334 PolarHBondContact NH1-O 3.2Å
248Y42.6Very low50.1Low59 Ų5958.1 Ų58.123%0.23134%0.339CS..  trans-111.1112.7178.8-57.7-71000112.3I244 T246 L250 S374 A375I244-Y248 WeakPolarHBondContact CD1-O 3.43Å; T246-Y248 PolarHBondContact O-N 3.06Å; Y248-L250 PolarHBondContact O-N 3.06Å; Y248-S374 PolarHBondContact OH-OG 2.91Å; Y248-A375 HydrophobicContact CD2-CB 4.17Å; Y248-A375 HydrophobicContact CE2-CB 3.83Å
249S38.3Very low48Very low120 Ų12061.7 Ų61.784%0.83938%0.377SS*.  trans-93.370.1-175.3500000113.3
250L43.6Very low46.4Very low44 Ų4462.8 Ų62.823%0.2338%0.383CS..  trans-70.3138.8164.9-88.771.1000110.3I225 I241 I244 Y248I225-L250 HydrophobicContact CD1-CD2 4.33Å; I241-L250 HydrophobicContact CG1-CD2 4.35Å; I244-L250 HydrophobicContact CD1-CB 4.17Å; I244-L250 HydrophobicContact CD1-CD1 4.28Å; Y248-L250 PolarHBondContact O-N 3.06Å
251P42.1Very low44.9Very low78 Ų7869.7 Ų69.751%0.50641%0.414SS..  trans-55.9138.7175.7-27.735.9000113S253 T254P251-S253 PolarHBondContact O-N 2.63Å; P251-T254 PolarHBondContact O-N 2.69Å; P251-T254 PolarHBondContact O-OG1 2.96Å
252S37.5Very low43.5Very low90 Ų9069.1 Ų69.163%0.62941%0.413SS*.THydrogen-bonded Turntrans-57.8-21.9-179.6-1710000113.6
253S40.1Very low42.6Very low57 Ų5768.5 Ų68.540%0.39941%0.409SS..THydrogen-bonded Turntrans-66.4-35.7176.258.80000113.3F222 P251 I255 K256F222-S253 WeakPolarHBondContact CE1-OG 3.47Å; P251-S253 PolarHBondContact O-N 2.63Å; S253-I255 VanDerWaalsContact C-N 3.27Å; S253-I255 PolarHBondContact O-N 3.13Å; S253-K256 PolarHBondContact O-N 3.03Å
254T43.7Very low41.8Very low17 Ų1768.5 Ų68.510%0.10441%0.41CS..G310 helixtrans-62.5-34.6179.2-52.40000112.2I225 P251 K256 A257I225-T254 HydrophobicContact CD1-CG2 3.68Å; I225-T254 WeakPolarHBondContact CD1-OG1 3.46Å; P251-T254 PolarHBondContact O-N 2.69Å; P251-T254 PolarHBondContact O-OG1 2.96Å; T254-K256 PolarHBondContact O-N 2.89Å; T254-A257 PolarHBondContact O-N 2.84Å
255I41.1Very low41.6Very low75 Ų7573.3 Ų73.339%0.38544%0.436SS..G310 helixtrans-65.6-26.4-177-54.3174.1000111.6I244 S253I244-I255 HydrophobicContact CG2-CD1 4.01Å; S253-I255 VanDerWaalsContact C-N 3.27Å; S253-I255 PolarHBondContact O-N 3.13Å
256K36.1Very low41.5Very low188 Ų18872.1 Ų72.182%0.81741%0.408SS*.G310 helixtrans-80.4-22.2-178.7-68.6-178.5180174.70114.2S253 T254 V258S253-K256 PolarHBondContact O-N 3.03Å; T254-K256 PolarHBondContact O-N 2.89Å; K256-V258 VanDerWaalsContact C-N 3.35Å
257A37.9Very low41.8Very low28 Ų2869.8 Ų69.823%0.23139%0.392CS..G310 helixtrans-86.5-5.6-178.800000113.4T210 T254T210-A257 VanDerWaalsContact O-O 3.12Å; T254-A257 PolarHBondContact O-N 2.84Å
258V37.3Very low41.7Very low32 Ų3264.1 Ų64.119%0.19439%0.385CS..  trans-129.984.8-163-1770000109.5I241 K256 L260I241-V258 HydrophobicContact CD1-CG1 4.21Å; K256-V258 VanDerWaalsContact C-N 3.35Å; V258-L260 HydrophobicContact CG1-CB 4.08Å; V258-L260 HydrophobicContact CG1-CD1 3.4Å; V258-L260 VanDerWaalsContact CG1-CD1 3.4Å; V258-L260 HydrophobicContact CG1-CG 3.53Å; V258-L260 PolarHBondContact O-N 2.93Å
259G35Very low41.3Very low79 Ų7969 Ų6981%0.81440%0.403SS*.  trans-72.447.6-174.200000115.7
260L45.1Very low41.1Very low23 Ų2372.6 Ų72.612%0.1241%0.406CS..  trans-117.681-161.1-51-173000112.1W234 Q238 V258 S723W234-L260 HydrophobicContact CZ2-CD1 4.16Å; Q238-L260 VanDerWaalsContact CD-CD1 3.49Å; Q238-L260 VanDerWaalsContact OE1-CD1 3.27Å; V258-L260 HydrophobicContact CG1-CB 4.08Å; V258-L260 HydrophobicContact CG1-CD1 3.4Å; V258-L260 VanDerWaalsContact CG1-CD1 3.4Å; V258-L260 HydrophobicContact CG1-CG 3.53Å; V258-L260 PolarHBondContact O-N 2.93Å; L260-S723 VanDerWaalsContact CD2-O 3.29Å; L260-S723 WeakPolarHBondContact CD2-O 3.44Å
261Q47.4Very low40.4Very low146 Ų14674 Ų7468%0.68242%0.424SS*.  trans-79.1-18.8179.8-66.4-178.71.200114.4I263 A264 L265Q261-I263 PolarHBondContact O-N 3.46Å; Q261-A264 PolarHBondContact O-N 2.95Å; Q261-L265 PolarHBondContact O-N 3.26Å
262S44.5Very low39.6Very low17 Ų1773.8 Ų73.812%0.11944%0.436CS..Hα-helixtrans-57.6-43.8-168.6-61.10000113.8L265 Y266S262-L265 PolarHBondContact O-N 2.94Å; S262-Y266 VanDerWaalsContact O-CD2 3.26Å; S262-Y266 WeakPolarHBondContact O-CD2 3.45Å
263I47.2Very low39.1Very low1 Ų176.9 Ų76.91%0.00545%0.451CS..Hα-helixtrans-78.7-29.2-176.5-74.2162.9000112W234 Q238 Q261 L265 Y266 L267 V720W234-I263 HydrophobicContact CH2-CD1 3.81Å; W234-I263 HydrophobicContact CZ3-CD1 3.92Å; Q238-I263 HydrophobicContact CB-CB 4.24Å; Q238-I263 HydrophobicContact CB-CD1 3.33Å; Q238-I263 HydrophobicContact CB-CG1 4.37Å; Q238-I263 HydrophobicContact CB-CG2 4.16Å; Q238-I263 HydrophobicContact CG-CD1 3.72Å; Q261-I263 PolarHBondContact O-N 3.46Å; I263-L265 PolarHBondContact O-N 3.44Å; I263-Y266 CarbonylContact O-C 3.53Å; I263-Y266 PolarHBondContact O-N 3.48Å; I263-L267 HydrophobicContact CG2-CD1 3.46Å; I263-L267 VanDerWaalsContact CG2-CD1 3.46Å; I263-L267 HydrophobicContact CG2-CG 3.92Å; I263-L267 WeakPolarHBondContact O-CG 3.42Å; I263-L267 PolarHBondContact O-N 3.45Å; I263-V720 HydrophobicContact CD1-CG2 3.6Å; I263-V720 HydrophobicContact CG1-CG2 3.6Å
264A44.2Very low38.4Very low25 Ų2577.2 Ų77.221%0.20746%0.464CS..Hα-helixtrans-63.3-2617300000113S242 Q261 G268S242-A264 PolarHBondContact OG-N 3.07Å; Q261-A264 PolarHBondContact O-N 2.95Å; A264-G268 PolarHBondContact O-N 3.44Å
265L44.7Very low37.5Very low136 Ų13682.8 Ų82.871%0.71250%0.503SS*.Hα-helixtrans-72.8-31.9171.3-64.4170.1000112.7Q261 S262 I263Q261-L265 PolarHBondContact O-N 3.26Å; S262-L265 PolarHBondContact O-N 2.94Å; I263-L265 PolarHBondContact O-N 3.44Å
266Y44.2Very low36.7Very low50 Ų5082.7 Ų82.720%0.19652%0.521CS..Hα-helixtrans-86.6-19.9177.3-73.6-73.7000113.9S262 I263 T655 Q662 N718S262-Y266 VanDerWaalsContact O-CD2 3.26Å; S262-Y266 WeakPolarHBondContact O-CD2 3.45Å; I263-Y266 CarbonylContact O-C 3.53Å; I263-Y266 PolarHBondContact O-N 3.48Å; Y266-T655 HydrophobicContact CD1-CG2 4.13Å; Y266-T655 WeakPolarHBondContact O-CG2 3.44Å; Y266-Q662 PolarHBondContact OH-NE2 3.16Å; Y266-Q662 VanDerWaalsContact OH-NE2 3.1Å; Y266-N718 PolarHBondContact OH-O 3.03Å
267L46.5Very low36.2Very low35 Ų3577.8 Ų77.818%0.18351%0.51CS..Hα-helixtrans-103.21.9-177.2-64.2-175.9000114.9I263 I379 L659I263-L267 HydrophobicContact CG2-CD1 3.46Å; I263-L267 VanDerWaalsContact CG2-CD1 3.46Å; I263-L267 HydrophobicContact CG2-CG 3.92Å; I263-L267 WeakPolarHBondContact O-CG 3.42Å; I263-L267 PolarHBondContact O-N 3.45Å; L267-I379 HydrophobicContact CD1-CD1 3.76Å; L267-I379 HydrophobicContact CD2-CD1 3.83Å; L267-I379 HydrophobicContact CD2-CG2 3.86Å; L267-I379 HydrophobicContact CG-CD1 4.31Å; L267-L659 HydrophobicContact CD2-CD2 3.53Å; L267-L659 HydrophobicContact CG-CD2 4.21Å
268G36.6Very low35.6Very low47 Ų4782.6 Ų82.649%0.48554%0.537SS..THydrogen-bonded Turntrans74.157.4164.200000114.6A264 H270A264-G268 PolarHBondContact O-N 3.44Å; G268-H270 PolarHBondContact O-N 3.2Å
269R34.3Very low35Very low160 Ų16084.3 Ų84.360%0.60456%0.561SS**  trans-66.686.1178.2-163.8-179.9-161.5-125.91.2113.1
270H34.4Very low34.6Very low196 Ų19689.7 Ų89.791%0.90756%0.557SS**  trans-92.590168.5-90.1-75.3000111.4G268G268-H270 PolarHBondContact O-N 3.2Å
271A28.2Very low33.7Very low74 Ų7494.3 Ų94.361%0.61259%0.586SS**  trans-148.4135.1165.100000109.9
272G26.4Very low32.7Very low73 Ų7395.7 Ų95.775%0.75359%0.585SS**  trans-79.2-169.816900000111.7
273V27Very low32Very low155 Ų15599.6 Ų99.694%0.93961%0.608SS**  cis-147.8148.66.2175.90000106.3
274G24.1Very low31.2Very low65 Ų65103.2 Ų103.267%0.6763%0.631SS**  cis162.9-143.5-1.200000111.2
275S25.6Very low30.3Very low133 Ų133104.1 Ų104.193%0.9364%0.635SS**  trans78.1128179-156.40000117.4
276G23.2Very low29.4Very low74 Ų74103.2 Ų103.276%0.76364%0.636SS**  trans107.339.8146.600000121.6
277S25.8Very low28.6Very low84 Ų84104.7 Ų104.759%0.58767%0.665SS**  trans-163.4156.4145.7-161.10000113.6
278T25.6Very low27.7Very low130 Ų130107.7 Ų107.780%0.79868%0.678SS**  trans-91.1131.3-17650.30000113.4
279G24.6Very low27Very low68 Ų68113.3 Ų113.370%0.70170%0.696SS**  trans-164.562.1176.200000113.4V281G279-V281 PolarHBondContact O-N 2.96Å
280R27.9Very low26.7Very low191 Ų191108.9 Ų108.972%0.72170%0.699SS**  trans-73106.6-175.1-172.3176.7-179.6-161.4-6.5111.4E52E52-R280 VanDerWaalsContact CD-NH2 3.28Å; E52-R280 IonicContact OE1-NH2 2.67Å; E52-R280 PolarHBondContact OE1-NH2 3.44Å; E52-R280 VanDerWaalsContact OE1-NH2 3.15Å; E52-R280 IonicContact OE2-CZ 3.88Å; E52-R280 VanDerWaalsContact OE2-CZ 3.26Å; E52-R280 IonicContact OE2-NH1 3.67Å; E52-R280 PolarHBondContact OE2-NH1 2.85Å; E52-R280 IonicContact OE2-NH2 3.57Å; E52-R280 PolarHBondContact OE2-NH2 2.94Å
281V26.1Very low26.2Very low120 Ų120105.6 Ų105.673%0.72769%0.693SS**  trans-68.3135.3165176.90000108.7G279G279-V281 PolarHBondContact O-N 2.96Å
282R26Very low26.1Very low175 Ų175109.5 Ų109.566%0.6670%0.703SS**  trans-80.5118.5176.6-56.2-173.2-166.4-163.53.2110.2E2040R282-E2040 IonicContact CZ-OE1 3.96Å; R282-E2040 IonicContact NE-OE1 2.81Å; R282-E2040 IonicContact NH2-OE1 2.71Å; R282-E2040 PolarHBondContact NH2-OE1 3.49Å
283T28.7Very low26.4Very low100 Ų100111 Ų11161%0.61370%0.702SS**  trans-135.9138.1162.550.50000107.4
284T30.3Very low26.5Very low77 Ų77106.7 Ų106.747%0.47269%0.689SS.*  trans-61.6151.8-176.436.20000112.5V158V158-T284 HydrophobicContact CG2-CG2 4.11Å
285S26.3Very low26.7Very low43 Ų43107.7 Ų107.730%0.30169%0.69SS.*  trans-88.8129.2-160.269.50000114Q50Q50-S285 VanDerWaalsContact CD-OG 3.29Å; Q50-S285 PolarHBondContact NE2-OG 2.99Å; Q50-S285 PolarHBondContact OE1-OG 3.28Å
286T26.5Very low26.9Very low118 Ų118108.5 Ų108.572%0.72468%0.684SS**  trans-157.690.4155-2.60000109
287G26Very low27Very low80 Ų80112.2 Ų112.283%0.82569%0.687SS**  trans169130.9-176.100000109.8
288H27.4Very low27.1Very low98 Ų98110.9 Ų110.945%0.45469%0.687SS.*  trans-121.8143.5-156.1-139.4-66.9000113.3L38L38-H288 VanDerWaalsContact C-NE2 3.3Å; L38-H288 PolarHBondContact O-NE2 3.23Å
289I23.5Very low27.3Very low166 Ų166112.1 Ų112.185%0.85169%0.687SS**  trans-148.3127.9167.2-59.9-175.4000108.9
290G26.3Very low27.4Very low66 Ų66117.2 Ų117.268%0.6869%0.694SS**  trans-173138.8174.100000111.3
291V25.8Very low27.5Very low128 Ų128113 Ų11378%0.77669%0.694SS**  trans-154.1142.4-150.6157.30000109.4
292L25.7Very low27.6Very low155 Ų155114 Ų11481%0.81270%0.696SS**  cis-156.2161.2-2.6-127.7178000110.9
293S31.3Very low27.8Very low105 Ų105112.8 Ų112.873%0.73470%0.702SS**  trans-161.9157.5154.6-157.30000108.2
294G29.7Very low27.9Very low64 Ų64111 Ų11166%0.6669%0.693SS**  cis106.4134.10.400000113
295A27.7Very low27.8Very low86 Ų86108.3 Ų108.371%0.71168%0.682SS**  cis-163.2166.9-9.500000111.3
296N29.7Very low28Very low150 Ų150109.2 Ų109.280%0.80269%0.688SS**  trans66.2135170.8-44.50.3000116.2
297D26.7Very low28.1Very low152 Ų152109 Ų10981%0.81369%0.687SS**  cis-164.9178.6-16.4-123.2-86.9000107.4
298G26.8Very low28Very low57 Ų57110.3 Ų110.359%0.58868%0.682SS**  cis171.6-179.64.700000113.7
299I30.9Very low27.9Very low155 Ų155113.2 Ų113.280%0.79570%0.699SS**  trans63103.1161.5-50.9179.9000120.4
300M25.4Very low28.1Very low175 Ų175108.7 Ų108.786%0.86269%0.694SS**  trans47152.4134.5-51-179.672.300121.8
301S30.8Very low28.1Very low103 Ų103110.4 Ų110.472%0.7270%0.695SS**  cis-154.4-171.714.7-156.80000112.8
302N28.7Very low28.1Very low142 Ų142111.4 Ų111.476%0.75970%0.696SS**  trans-109.8173.4-157.2-63.2-16.8000119
303N30.2Very low28.1Very low149 Ų149112.3 Ų112.380%0.79770%0.696SS**  trans82.3147153.7-71.52.1000120.3
304S30.4Very low28Very low61 Ų61112.1 Ų112.143%0.42769%0.692SS.*  cis177.3160-20.550.30000108.5I1252S304-I1252 WeakPolarHBondContact O-CG2 3.29Å
305G28.5Very low27.8Very low22 Ų22116.6 Ų116.623%0.22771%0.707CS.*  cis-179.3165.8-12.500000110.4I1252 F1253 T1254G305-I1252 VanDerWaalsContact C-CG1 3.5Å; G305-I1252 CarbonylContact O-C 3.24Å; G305-I1252 VanDerWaalsContact O-CA 3.26Å; G305-I1252 WeakPolarHBondContact O-CA 3.41Å; G305-I1252 WeakPolarHBondContact O-CG1 3.42Å; G305-F1253 CarbonylContact O-C 3.44Å; G305-F1253 WeakPolarHBondContact O-CA 3.45Å; G305-F1253 PolarHBondContact O-N 3.46Å; G305-T1254 WeakPolarHBondContact O-CG2 3.32Å
306S30.1Very low27.7Very low62 Ų62116 Ų11643%0.43471%0.71SS.*  trans94.1135159.2-1290000125.9I1252 F1253S306-I1252 WeakPolarHBondContact O-CA 3.19Å; S306-I1252 PolarHBondContact O-N 3.29Å; S306-I1252 VanDerWaalsContact O-N 3.12Å; S306-F1253 WeakPolarHBondContact CB-O 3.23Å
307T28.2Very low27.4Very low114 Ų114115.5 Ų115.570%0.69971%0.712SS**  trans50.7153.8132.349.50000125.2
308C24Very low27.3Very low107 Ų107113.7 Ų113.772%0.72371%0.711SS**  cis-174-176.1-16.854.80000109
309I26.6Very low27.1Very low158 Ų158119 Ų11981%0.8172%0.718SS**  cis-151.51458.1-49.3172.4000110.7
310G26.2Very low26.9Very low72 Ų72117.6 Ų117.674%0.74270%0.704SS**  trans76.6154141.900000121.6
311S26.1Very low27Very low101 Ų101113.9 Ų113.971%0.70669%0.691SS**  cis-167.7146.5-4.260.40000114.5
312N26.4Very low26.8Very low149 Ų149112.3 Ų112.380%0.79769%0.691SS**  trans67.8148.3152.3-60.6-8.4000119
313Q26.4Very low26.6Very low175 Ų175108.4 Ų108.482%0.81869%0.685SS**  cis-151.5-165.2-4.1-127.2-160.3-34.900110.9
314P29.4Very low26.3Very low100 Ų100106.7 Ų106.765%0.64968%0.684SS**  trans-123.4163.5-138.843.8-28.3000118.1
315T23.8Very low26.1Very low158 Ų158112 Ų11297%0.96970%0.702SS**  trans-170.9162.2139.3210000110.4
316G25.8Very low26Very low75 Ų75116.8 Ų116.877%0.77373%0.727SS**  trans137.798.3173.300000113.6
317V24.1Very low25.9Very low138 Ų138117.7 Ų117.784%0.83673%0.734SS**  trans-92.2126.1-179.1179.20000110.5F319V317-F319 HydrophobicContact CG1-CD2 4.05Å; V317-F319 HydrophobicContact CG1-CE2 4.47Å
318S25Very low25.7Very low115 Ų115120.5 Ų120.580%0.80474%0.744SS**  trans-142.3128.9166.4-174.60000110.7
319F23.1Very low25.8Very low167 Ų167122 Ų12273%0.73274%0.744SS**  trans-143140177.6-85.4-88000109.4V317V317-F319 HydrophobicContact CG1-CD2 4.05Å; V317-F319 HydrophobicContact CG1-CE2 4.47Å
320Y26.5Very low25.7Very low127 Ų127119.9 Ų119.950%0.49874%0.744SS.*  trans65.2121179.2-53.8-78.4000114.6T510Y320-T510 HydrophobicContact CD1-CG2 4.14Å; Y320-T510 HydrophobicContact CD2-CG2 3.94Å; Y320-T510 HydrophobicContact CE1-CG2 4.4Å; Y320-T510 HydrophobicContact CE2-CG2 4.22Å; Y320-T510 HydrophobicContact CG-CG2 3.89Å
321T26.8Very low25.6Very low96 Ų96123.9 Ų123.959%0.58975%0.747SS**  cis-149.9151.533.937.80000113.4S509T321-S509 WeakPolarHBondContact CG2-O 3.16Å
322G26.2Very low25.5Very low70 Ų70124.7 Ų124.772%0.72275%0.751SS**  trans-144.6103.3168.200000110.4S324G322-S324 VanDerWaalsContact C-N 3.33Å; G322-S324 PolarHBondContact O-N 3.14Å
323G23.9Very low25.4Very low61 Ų61123.3 Ų123.363%0.62975%0.754SS**  trans-74.284.8172.700000110.2
324S24.3Very low25.3Very low112 Ų112120.4 Ų120.478%0.78375%0.748SS**  trans-152.4161.7178.4-87.20000112.6G322G322-S324 VanDerWaalsContact C-N 3.33Å; G322-S324 PolarHBondContact O-N 3.14Å
325Q26.5Very low25.1Very low172 Ų172122.6 Ų122.680%0.80475%0.754SS**  trans-19.5139.8177.7-48.5-178.718.800116.3S327Q325-S327 PolarHBondContact O-N 2.95Å
326T25.8Very low25.1Very low123 Ų123118.9 Ų118.976%0.75574%0.735SS**  trans-70.773.7158.153.80000110L328T326-L328 PolarHBondContact O-N 3.02Å
327S28.1Very low25.1Very low82 Ų82122.8 Ų122.857%0.57374%0.738SS**  trans-57.7130.9165.853.20000108.9Q325 N329Q325-S327 PolarHBondContact O-N 2.95Å; S327-N329 PolarHBondContact O-N 3.33Å
328L25.4Very low25.2Very low173 Ų173121 Ų12191%0.90673%0.731SS**SBendtrans-80.431.6177.9-78.5166.1000112.2T326T326-L328 PolarHBondContact O-N 3.02Å
329N26Very low25.3Very low138 Ų138120.5 Ų120.574%0.73873%0.728SS**  trans-112.443.5-172.1-78.57.9000113.2S327S327-N329 PolarHBondContact O-N 3.33Å
330S24.2Very low25.4Very low113 Ų113120.1 Ų120.179%0.7973%0.734SS**SBendtrans-162.279151-167.60000110.9
331L23.2Very low25.2Very low157 Ų157121.7 Ų121.782%0.82275%0.747SS**SBendtrans-175.929.8156.8-106.6164.9000114.4
332C25.4Very low25.1Very low117 Ų117128 Ų12879%0.79176%0.76SS**  trans-157.453.2170.8-102.40000113.5
333S24.1Very low25.1Very low121 Ų121134.3 Ų134.385%0.84677%0.768SS**  trans-130.450.7171.2-65.80000113.2
334T24.1Very low25.2Very low113 Ų113138.5 Ų138.569%0.69378%0.775SS**  trans-105.590.5142.243.90000107.8R247R247-T334 PolarHBondContact NH1-O 3.2Å
335N25.1Very low25.3Very low146 Ų146139.6 Ų139.678%0.78177%0.769SS**  trans-68.1138.3161.3-89-9.6000108.5
336S23.6Very low25.4Very low80 Ų80138.2 Ų138.256%0.55977%0.767SS**  trans-84130.3170.9-52.70000108.9
337N26.4Very low25.5Very low157 Ų157141.4 Ų141.484%0.8477%0.773SS**  trans76.3153.9158.9-42.8-19000115.2
338S26.4Very low25.5Very low101 Ų101142.9 Ų142.971%0.70677%0.771SS**  cis-137.3146.311.6-165.30000114.2
339S26Very low25.6Very low104 Ų104142.9 Ų142.973%0.72777%0.766SS**  trans37.6117.8146.558.50000120.4
340D24.8Very low25.7Very low160 Ų160147.1 Ų147.186%0.85677%0.774SS**  -150.4169.5104.8-148.6-6.6000113.2R342D340-R342 PolarHBondContact O-N 3.38Å
341M23.3Very low25.8Very low159 Ų159149.7 Ų149.778%0.78377%0.767SS**  trans-67.1110.6-172.3-70.7-88-138.300114.9
342R23.6Very low26.1Very low229 Ų229148.1 Ų148.186%0.86476%0.764SS**  -177.9103.9128.1-105.6166-75.4-171.1-3.5113.6D340D340-R342 PolarHBondContact O-N 3.38Å
343F27.2Very low26.4Very low203 Ų203148 Ų14889%0.8976%0.76SS**  trans-157.185.5134.4-111.2-69.9000109.3
344I25.9Very low27Very low149 Ų149151.3 Ų151.376%0.76476%0.759SS**  trans-82.3133.3160.4-68.8171.7000106.1
345M25.8Very low27.2Very low134 Ų134154.1 Ų154.166%0.6677%0.77SS**  trans59.6114.2179.2-64.1151.357.200112.9
346D28.3Very low27.7Very low144 Ų144150.3 Ų150.377%0.7777%0.765SS**SBend-149.2115.666.1-164.66.5000114.1
347H29.4Very low28Very low189 Ų189153.4 Ų153.488%0.87578%0.776SS**  trans-163.745152.6-127.1-65.8000111Q349H347-Q349 PolarHBondContact O-N 3Å
348H27.1Very low28.4Very low113 Ų113152.8 Ų152.852%0.52377%0.772SS.*  trans-93.371-171.1-135.7-22000112Y351H348-Y351 AromaticContact CE1-CE2 3.37Å; H348-Y351 WeakPolarHBondContact CE1-CE2 3.46Å; H348-Y351 AromaticContact CE1-CZ 3.47Å; H348-Y351 VanDerWaalsContact CE1-CZ 3.47Å; H348-Y351 PolarHBondContact CE1-OH 2.93Å; H348-Y351 VanDerWaalsContact CE1-OH 3.24Å; H348-Y351 AromaticContact ND1-CE2 3.49Å; H348-Y351 WeakPolarHBondContact ND1-CE2 3.46Å; H348-Y351 AromaticContact NE2-CE2 3.96Å; H348-Y351 AromaticContact NE2-CZ 3.87Å; H348-Y351 PolarHBondContact NE2-OH 3.37Å; H348-Y351 VanDerWaalsContact NE2-OH 3.17Å
349Q28.6Very low28.9Very low174 Ų174154 Ų15481%0.81378%0.775SS**  trans-142.967.8170.6-159149.716.800114.6H347H347-Q349 PolarHBondContact O-N 3Å
350Y27.9Very low29.1Very low227 Ų227156.6 Ų156.689%0.8978%0.779SS**  -159.2101.2128.4-107.9-71.9000109.6
351Y25.3Very low29.6Very low167 Ų167154.4 Ų154.466%0.65577%0.772SS**  trans-82135.3152.1-76.8-97.9000105.5H348H348-Y351 AromaticContact CE1-CE2 3.37Å; H348-Y351 WeakPolarHBondContact CE1-CE2 3.46Å; H348-Y351 AromaticContact CE1-CZ 3.47Å; H348-Y351 VanDerWaalsContact CE1-CZ 3.47Å; H348-Y351 PolarHBondContact CE1-OH 2.93Å; H348-Y351 VanDerWaalsContact CE1-OH 3.24Å; H348-Y351 AromaticContact ND1-CE2 3.49Å; H348-Y351 WeakPolarHBondContact ND1-CE2 3.46Å; H348-Y351 AromaticContact NE2-CE2 3.96Å; H348-Y351 AromaticContact NE2-CZ 3.87Å; H348-Y351 PolarHBondContact NE2-OH 3.37Å; H348-Y351 VanDerWaalsContact NE2-OH 3.17Å
352T30.6Very low29.9Very low123 Ų123154.9 Ų154.976%0.75577%0.772SS**  -170.9164.970.944.60000108.2
353T31.8Very low30.1Very low114 Ų114150.3 Ų150.370%0.69977%0.765SS**  cis-156160.18.6-10.40000111.7
354K36.3Very low30.5Very low192 Ų192148.9 Ų148.984%0.83576%0.76SS**  trans82127.1153.4-72.4175.9-179.3178.70119.8
355D27.7Very low30.8Very low171 Ų171145.7 Ų145.791%0.91475%0.752SS**  trans-84.9163.7178.7-37.7-103.5000112.9
356G34.7Very low31.4Very low67 Ų67144.9 Ų144.969%0.69176%0.759SS**  trans162.5107.9165.200000112.2
357N30.7Very low32.4Very low145 Ų145140.8 Ų140.878%0.77574%0.742SS**  trans19.9129.5154.4-75.252.9000118.7
358D34.5Very low33.4Very low143 Ų143134 Ų13477%0.76572%0.719SS**  -162.317754-108.5-33000115
359T36.6Very low34.7Very low127 Ų127130.2 Ų130.278%0.77971%0.705SS**  trans-75.4132.7176.4-44.60000111.8
360I31.9Very low36.5Very low158 Ų158126.3 Ų126.381%0.8169%0.689SS**  trans-167.3137.2152.8-107.4150.3000113.7
361V35.2Very low38.3Very low114 Ų114118.3 Ų118.369%0.69167%0.666SS**  trans34.5124.6155.3-175.40000120.8D363V361-D363 PolarHBondContact O-N 3.24Å
362Q29.9Very low40.8Very low169 Ų169110.9 Ų110.979%0.7964%0.637SS**  trans-73.5110.7155.7-67176.7-79.600110.1
363D27.7Very low43.4Very low134 Ų134106.8 Ų106.872%0.71761%0.609SS**  trans-94.2107.7177.2-145.4-13.9000110.9V361 S365V361-D363 PolarHBondContact O-N 3.24Å; D363-S365 PolarHBondContact O-N 2.79Å
364H33.7Very low45.9Very low172 Ų172103 Ų10380%0.79659%0.587SS**  trans-84.361.4-179.2-82.8-67000111.4
365S33.6Very low48Very low83 Ų8394.1 Ų94.158%0.5855%0.549SS*.  trans-123.138.8-173.574.20000114.3D363 S367D363-S365 PolarHBondContact O-N 2.79Å; S365-S367 PolarHBondContact O-N 3.47Å
366S38.4Very low50.9Low116 Ų11686 Ų8681%0.81151%0.506SS*.  trans-62.3106.3163.756.70000108.7
367S48.8Very low53.5Low59 Ų5984.8 Ų84.841%0.41348%0.483SS..  trans-71150.4-165.982.30000111.8S365 S369 D370S365-S367 PolarHBondContact O-N 3.47Å; S367-S369 PolarHBondContact O-N 3.43Å; S367-S369 WeakPolarHBondContact OG-CB 3.22Å; S367-S369 PolarHBondContact OG-N 2.87Å; S367-D370 PolarHBondContact N-OD2 3.4Å; S367-D370 PolarHBondContact O-N 3.29Å; S367-D370 VanDerWaalsContact O-OD2 3.13Å; S367-D370 PolarHBondContact OG-OD2 3.19Å; S367-D370 VanDerWaalsContact OG-OD2 3.11Å
368A49.5Very low56.3Low47 Ų4780 Ų8039%0.38846%0.458SS..THydrogen-bonded Turntrans-65.7-6.1172.300000113.5P226P226-A368 HydrophobicContact CG-CB 3.84Å
369S54.8Low58.9Low33 Ų3374.3 Ų74.323%0.23143%0.427CS..Hα-helixtrans-68.6-35.4176.5-170.30000112.9S367 C371 Y372 E373S367-S369 PolarHBondContact O-N 3.43Å; S367-S369 WeakPolarHBondContact OG-CB 3.22Å; S367-S369 PolarHBondContact OG-N 2.87Å; S369-C371 PolarHBondContact O-N 2.93Å; S369-Y372 VanDerWaalsContact CA-CZ 3.46Å; S369-Y372 VanDerWaalsContact O-CD2 3.26Å; S369-Y372 WeakPolarHBondContact O-CD2 3.49Å; S369-Y372 WeakPolarHBondContact O-CE2 3.33Å; S369-Y372 PolarHBondContact O-N 3.06Å; S369-Y372 WeakPolarHBondContact OG-CE2 3.39Å; S369-E373 PolarHBondContact O-N 3.19Å
370D66Low61.5Low92 Ų9268.4 Ų68.449%0.49239%0.391SS..Hα-helixtrans-65.7-27.2-176.5-53.3-51.6000111.6S367 S374S367-D370 PolarHBondContact N-OD2 3.4Å; S367-D370 PolarHBondContact O-N 3.29Å; S367-D370 VanDerWaalsContact O-OD2 3.13Å; S367-D370 PolarHBondContact OG-OD2 3.19Å; S367-D370 VanDerWaalsContact OG-OD2 3.11Å; D370-S374 WeakPolarHBondContact O-CB 3.41Å; D370-S374 PolarHBondContact O-N 3.39Å; D370-S374 VanDerWaalsContact O-N 3.12Å; D370-S374 PolarHBondContact O-OG 3Å
371C65.9Low64.4Low58 Ų5864.3 Ų64.339%0.39237%0.367SS..Hα-helixtrans-71.5-31.6-177.4-172.20000113.9S369 S374S369-C371 PolarHBondContact O-N 2.93Å; C371-S374 PolarHBondContact O-OG 2.97Å
372Y77.6Confident67Low12 Ų1264.6 Ų64.65%0.04736%0.356CS..Hα-helixtrans-94.7-25.1174.947.7-114000114E233 C236 L237 S369 F376E233-Y372 HydrophobicContact CG-CE2 3.65Å; E233-Y372 WeakPolarHBondContact CG-OH 3.41Å; E233-Y372 PolarHBondContact OE1-OH 3.29Å; C236-Y372 HydrophobicContact CB-CD2 3.66Å; C236-Y372 HydrophobicContact CB-CE2 4.44Å; L237-Y372 HydrophobicContact CB-CD1 4.42Å; L237-Y372 HydrophobicContact CB-CG 4.35Å; L237-Y372 HydrophobicContact CD1-CD1 4Å; L237-Y372 HydrophobicContact CD1-CE1 4.38Å; S369-Y372 VanDerWaalsContact CA-CZ 3.46Å; S369-Y372 VanDerWaalsContact O-CD2 3.26Å; S369-Y372 WeakPolarHBondContact O-CD2 3.49Å; S369-Y372 WeakPolarHBondContact O-CE2 3.33Å; S369-Y372 PolarHBondContact O-N 3.06Å; S369-Y372 WeakPolarHBondContact OG-CE2 3.39Å; Y372-F376 PolarHBondContact O-N 2.96Å
373E85.6Confident70.1Confident37 Ų3756.6 Ų56.617%0.17332%0.318CS..Hα-helixtrans-64.1-45.6170.1-179.3171.8155.700111K194 Y232 S369 A375 F376 L377K194-E373 WeakPolarHBondContact CE-OE2 3.33Å; K194-E373 IonicContact NZ-OE1 2.77Å; K194-E373 PolarHBondContact NZ-OE1 3.03Å; K194-E373 IonicContact NZ-OE2 3.36Å; K194-E373 PolarHBondContact NZ-OE2 2.87Å; Y232-E373 HydrophobicContact CE1-CG 4.19Å; Y232-E373 WeakPolarHBondContact CE1-OE2 3.3Å; Y232-E373 VanDerWaalsContact OH-CD 3.29Å; Y232-E373 WeakPolarHBondContact OH-CG 3.5Å; Y232-E373 PolarHBondContact OH-OE1 3.49Å; S369-E373 PolarHBondContact O-N 3.19Å; E373-A375 VanDerWaalsContact C-N 3.28Å; E373-A375 PolarHBondContact O-N 2.87Å; E373-F376 PolarHBondContact O-N 2.97Å; E373-L377 HydrophobicContact CG-CD1 3.88Å; E373-L377 HydrophobicContact CG-CG 4.05Å; E373-L377 PolarHBondContact O-N 2.74Å
374S83.9Confident73.3Confident35 Ų3550.4 Ų50.425%0.24529%0.285CS..Hα-helixtrans-55.5-40.6178.555.70000113.1Y248 D370 C371 F376 L377 D378Y248-S374 PolarHBondContact OH-OG 2.91Å; D370-S374 WeakPolarHBondContact O-CB 3.41Å; D370-S374 PolarHBondContact O-N 3.39Å; D370-S374 VanDerWaalsContact O-N 3.12Å; D370-S374 PolarHBondContact O-OG 3Å; C371-S374 PolarHBondContact O-OG 2.97Å; S374-F376 PolarHBondContact O-N 2.9Å; S374-L377 PolarHBondContact O-N 3.38Å; S374-D378 WeakPolarHBondContact O-CB 3.39Å; S374-D378 PolarHBondContact O-N 3.47Å
375A81.6Confident76.1Confident4 Ų445.2 Ų45.23%0.03326%0.261CS..Hα-helixtrans-61.9-38.2175.300000113.2A240 Y248 E373 I379A240-A375 HydrophobicContact CB-CB 4.1Å; Y248-A375 HydrophobicContact CD2-CB 4.17Å; Y248-A375 HydrophobicContact CE2-CB 3.83Å; E373-A375 VanDerWaalsContact C-N 3.28Å; E373-A375 PolarHBondContact O-N 2.87Å; A375-I379 WeakPolarHBondContact O-CD1 3.28Å; A375-I379 PolarHBondContact O-N 3.4Å
376F88.6Confident79.1Confident0 Ų041.6 Ų41.60%024%0.235CC..Hα-helixtrans-74.7-41.3177.2-172.9-140.2000112.2F190 Y232 V235 C236 S239 Y372 E373 S374 D378 I379 I380 L659 I660 L663F190-F376 HydrophobicContact CE2-CD1 4.26Å; F190-F376 AromaticContact CE2-CE1 3.47Å; F190-F376 HydrophobicContact CE2-CE1 3.47Å; F190-F376 VanDerWaalsContact CE2-CE1 3.47Å; F190-F376 AromaticContact CE2-CZ 3.92Å; F190-F376 HydrophobicContact CE2-CZ 3.92Å; F190-F376 AromaticContact CZ-CD1 3.78Å; F190-F376 HydrophobicContact CZ-CD1 3.78Å; F190-F376 AromaticContact CZ-CE1 3.45Å; F190-F376 HydrophobicContact CZ-CE1 3.45Å; F190-F376 VanDerWaalsContact CZ-CE1 3.45Å; F190-F376 HydrophobicContact CZ-CZ 4.28Å; Y232-F376 HydrophobicContact CE2-CE1 4.46Å; V235-F376 HydrophobicContact CG1-CD1 4.35Å; V235-F376 HydrophobicContact CG1-CE1 3.78Å; V235-F376 HydrophobicContact CG1-CE2 4.37Å; V235-F376 HydrophobicContact CG1-CZ 3.82Å; C236-F376 HydrophobicContact CB-CB 4.49Å; S239-F376 VanDerWaalsContact OG-CD2 3.31Å; S239-F376 WeakPolarHBondContact OG-CD2 3.31Å; Y372-F376 PolarHBondContact O-N 2.96Å; E373-F376 PolarHBondContact O-N 2.97Å; S374-F376 PolarHBondContact O-N 2.9Å; F376-D378 VanDerWaalsContact C-N 3.29Å; F376-D378 PolarHBondContact O-N 2.82Å; F376-I379 WeakPolarHBondContact O-CB 3.43Å; F376-I379 PolarHBondContact O-N 3.3Å; F376-I380 HydrophobicContact CD1-CD1 4.49Å; F376-I380 HydrophobicContact CE1-CD1 4.32Å; F376-I380 HydrophobicContact CE2-CD1 4.35Å; F376-I380 HydrophobicContact CZ-CD1 4.23Å; F376-I380 PolarHBondContact O-N 2.97Å; F376-L659 HydrophobicContact CE2-CD2 4.1Å; F376-I660 HydrophobicContact CZ-CD1 4.13Å; F376-L663 HydrophobicContact CE1-CD1 4.46Å; F376-L663 HydrophobicContact CZ-CD1 3.73Å
377L89.8Confident81.8Confident43 Ų4336.1 Ų36.123%0.22520%0.197CC..Hα-helixtrans-60.1-38.9172.7-69.9176.6000111.9F190 E373 S374 I379 I380 K381F190-L377 HydrophobicContact CD1-CD2 4.15Å; F190-L377 HydrophobicContact CE1-CD2 3.61Å; E373-L377 HydrophobicContact CG-CD1 3.88Å; E373-L377 HydrophobicContact CG-CG 4.05Å; E373-L377 PolarHBondContact O-N 2.74Å; S374-L377 PolarHBondContact O-N 3.38Å; L377-I379 VanDerWaalsContact C-N 3.29Å; L377-I379 PolarHBondContact O-N 2.99Å; L377-I380 PolarHBondContact O-N 2.99Å; L377-I380 VanDerWaalsContact O-N 3.16Å; L377-K381 WeakPolarHBondContact O-CB 3.45Å; L377-K381 VanDerWaalsContact O-CG 3.28Å; L377-K381 WeakPolarHBondContact O-CG 3.25Å; L377-K381 PolarHBondContact O-N 3.1Å
378D88.3Confident83.9Confident44 Ų4435.1 Ų35.124%0.23519%0.186CC..Hα-helixtrans-65.1-29.8177.3-83.75.4000113.4S374 F376 K381 R382S374-D378 WeakPolarHBondContact O-CB 3.39Å; S374-D378 PolarHBondContact O-N 3.47Å; F376-D378 VanDerWaalsContact C-N 3.29Å; F376-D378 PolarHBondContact O-N 2.82Å; D378-K381 IonicContact OD1-NZ 3.05Å; D378-K381 PolarHBondContact OD1-NZ 2.8Å; D378-R382 WeakPolarHBondContact O-CB 3.46Å; D378-R382 PolarHBondContact O-N 3.15Å
379I89.2Confident86Confident23 Ų2332.9 Ų32.912%0.11817%0.167CC..Hα-helixtrans-67.2-42.1172.2-71155.4000110.6L267 A375 F376 L377 R382 A383 T656L267-I379 HydrophobicContact CD1-CD1 3.76Å; L267-I379 HydrophobicContact CD2-CD1 3.83Å; L267-I379 HydrophobicContact CD2-CG2 3.86Å; L267-I379 HydrophobicContact CG-CD1 4.31Å; A375-I379 WeakPolarHBondContact O-CD1 3.28Å; A375-I379 PolarHBondContact O-N 3.4Å; F376-I379 WeakPolarHBondContact O-CB 3.43Å; F376-I379 PolarHBondContact O-N 3.3Å; L377-I379 VanDerWaalsContact C-N 3.29Å; L377-I379 PolarHBondContact O-N 2.99Å; I379-R382 PolarHBondContact O-N 3.45Å; I379-A383 PolarHBondContact O-N 3.42Å; I379-T656 HydrophobicContact CG2-CG2 3.81Å
380I91.7Very high87.9Confident4 Ų431.3 Ų31.32%0.02116%0.156CC..Hα-helixtrans-69.6-48.2-180-65.7162.2000110.8L187 F190 F376 L377 R382 A383 L384 I660L187-I380 HydrophobicContact CD2-CB 4.5Å; L187-I380 HydrophobicContact CD2-CG1 4.44Å; L187-I380 HydrophobicContact CD2-CG2 3.99Å; F190-I380 HydrophobicContact CD1-CD1 3.82Å; F190-I380 HydrophobicContact CD2-CD1 3.49Å; F190-I380 VanDerWaalsContact CD2-CD1 3.49Å; F190-I380 HydrophobicContact CE1-CD1 3.7Å; F190-I380 HydrophobicContact CE2-CD1 3.36Å; F190-I380 HydrophobicContact CG-CD1 3.7Å; F190-I380 HydrophobicContact CZ-CD1 3.44Å; F190-I380 VanDerWaalsContact CZ-CD1 3.44Å; F376-I380 HydrophobicContact CD1-CD1 4.49Å; F376-I380 HydrophobicContact CE1-CD1 4.32Å; F376-I380 HydrophobicContact CE2-CD1 4.35Å; F376-I380 HydrophobicContact CZ-CD1 4.23Å; F376-I380 PolarHBondContact O-N 2.97Å; L377-I380 PolarHBondContact O-N 2.99Å; L377-I380 VanDerWaalsContact O-N 3.16Å; I380-R382 VanDerWaalsContact C-N 3.26Å; I380-R382 PolarHBondContact O-N 2.96Å; I380-A383 PolarHBondContact O-N 3.1Å; I380-A383 VanDerWaalsContact O-N 3.13Å; I380-L384 HydrophobicContact CG2-CD1 4.33Å; I380-L384 PolarHBondContact O-N 3.27Å; I380-I660 HydrophobicContact CD1-CD1 4.26Å; I380-I660 HydrophobicContact CG1-CD1 4.4Å
381K91.6Very high89.2Confident72 Ų7227.8 Ų27.831%0.31314%0.136SC..Hα-helixtrans-51.7-45.7171.4-70.2170.3-162161.70111.4L377 D378 L384 H385 F400L377-K381 WeakPolarHBondContact O-CB 3.45Å; L377-K381 VanDerWaalsContact O-CG 3.28Å; L377-K381 WeakPolarHBondContact O-CG 3.25Å; L377-K381 PolarHBondContact O-N 3.1Å; D378-K381 IonicContact OD1-NZ 3.05Å; D378-K381 PolarHBondContact OD1-NZ 2.8Å; K381-L384 PolarHBondContact O-N 3.33Å; K381-H385 WeakPolarHBondContact O-CB 3.47Å; K381-H385 PolarHBondContact O-N 3.29Å; K381-F400 HydrophobicContact CB-CD2 4.16Å; K381-F400 HydrophobicContact CB-CE2 4.12Å; K381-F400 HydrophobicContact CD-CE1 4.49Å; K381-F400 HydrophobicContact CG-CD1 4.09Å; K381-F400 HydrophobicContact CG-CD2 3.74Å; K381-F400 HydrophobicContact CG-CE1 3.88Å; K381-F400 HydrophobicContact CG-CE2 3.5Å; K381-F400 HydrophobicContact CG-CG 4.03Å; K381-F400 HydrophobicContact CG-CZ 3.58Å
382R91.9Very high90.5Very high120 Ų12031.1 Ų31.145%0.45314%0.144SC..Hα-helixtrans-69.6-34.5-179.2-160.5-180-59.6160.76.8112.3D378 I379 I380 D386D378-R382 WeakPolarHBondContact O-CB 3.46Å; D378-R382 PolarHBondContact O-N 3.15Å; I379-R382 PolarHBondContact O-N 3.45Å; I380-R382 VanDerWaalsContact C-N 3.26Å; I380-R382 PolarHBondContact O-N 2.96Å; R382-D386 WeakPolarHBondContact O-CB 3.4Å; R382-D386 VanDerWaalsContact O-CG 3.23Å; R382-D386 PolarHBondContact O-N 2.89Å
383A94.5Very high91.2Very high0 Ų030.7 Ų30.70%014%0.144CC..Hα-helixtrans-65.8-43.4173.100000112L187 I379 I380 D386 I387 V653 T656L187-A383 HydrophobicContact CD1-CB 3.88Å; L187-A383 HydrophobicContact CD2-CB 4.1Å; I379-A383 PolarHBondContact O-N 3.42Å; I380-A383 PolarHBondContact O-N 3.1Å; I380-A383 VanDerWaalsContact O-N 3.13Å; A383-D386 PolarHBondContact O-N 3.19Å; A383-I387 WeakPolarHBondContact O-CG1 3.3Å; A383-I387 PolarHBondContact O-N 3.22Å; A383-V653 WeakPolarHBondContact O-CG2 3.3Å; A383-T656 HydrophobicContact CB-CG2 3.95Å
384L93.8Very high91.3Very high5 Ų531.2 Ų31.23%0.02615%0.15CC..Hα-helixtrans-65.2-43174.9-76.1162.9000112.2E184 L187 Y188 I380 K381 D386 I387 H388 F398 F400E184-L384 HydrophobicContact CG-CD2 4.08Å; L187-L384 HydrophobicContact CB-CD1 4Å; L187-L384 HydrophobicContact CB-CD2 3.8Å; L187-L384 HydrophobicContact CB-CG 3.79Å; L187-L384 HydrophobicContact CD1-CD2 4.3Å; L187-L384 HydrophobicContact CD1-CG 4.25Å; Y188-L384 HydrophobicContact CD2-CD2 3.7Å; Y188-L384 HydrophobicContact CE2-CD2 3.52Å; Y188-L384 HydrophobicContact CG-CD2 4.42Å; I380-L384 HydrophobicContact CG2-CD1 4.33Å; I380-L384 PolarHBondContact O-N 3.27Å; K381-L384 PolarHBondContact O-N 3.33Å; L384-D386 VanDerWaalsContact C-N 3.29Å; L384-D386 PolarHBondContact O-N 2.92Å; L384-I387 HydrophobicContact CD2-CD1 4.48Å; L384-I387 PolarHBondContact O-N 3.46Å; L384-I387 VanDerWaalsContact O-N 3.17Å; L384-H388 PolarHBondContact O-N 2.79Å; L384-F398 HydrophobicContact CB-CZ 3.92Å; L384-F400 HydrophobicContact CD1-CD2 4.38Å; L384-F400 HydrophobicContact CD1-CE2 3.82Å
385H93.6Very high91.4Very high63 Ų6336.9 Ų36.929%0.29218%0.177SC..Hα-helixtrans-58.8-39.3171.2176.4-76.3000112.2K381 H388 S389 F398K381-H385 WeakPolarHBondContact O-CB 3.47Å; K381-H385 PolarHBondContact O-N 3.29Å; H385-H388 PolarHBondContact O-N 3.47Å; H385-S389 PolarHBondContact CE1-OG 2.91Å; H385-S389 PolarHBondContact ND1-OG 3.46Å; H385-S389 VanDerWaalsContact O-CB 3.3Å; H385-S389 WeakPolarHBondContact O-CB 3.49Å; H385-S389 PolarHBondContact O-N 3.33Å; H385-S389 PolarHBondContact O-OG 3.49Å; H385-F398 HydrophobicContact CB-CD1 3.88Å; H385-F398 HydrophobicContact CB-CE1 3.83Å; H385-F398 HydrophobicContact CB-CG 4.45Å; H385-F398 HydrophobicContact CB-CZ 4.38Å; H385-F398 AromaticContact CD2-CD1 3.72Å
386D95.4Very high91.6Very high7 Ų737.8 Ų37.84%0.03718%0.184CC..Hα-helixtrans-67.9-35.4176.1-76.7-46.8000112.2R382 A383 L384 S389 L390 R649 R652 V653R382-D386 WeakPolarHBondContact O-CB 3.4Å; R382-D386 VanDerWaalsContact O-CG 3.23Å; R382-D386 PolarHBondContact O-N 2.89Å; A383-D386 PolarHBondContact O-N 3.19Å; L384-D386 VanDerWaalsContact C-N 3.29Å; L384-D386 PolarHBondContact O-N 2.92Å; D386-S389 PolarHBondContact O-N 3.2Å; D386-L390 WeakPolarHBondContact O-CD1 3.47Å; D386-L390 WeakPolarHBondContact O-CG 3.22Å; D386-L390 PolarHBondContact O-N 3.37Å; D386-L390 VanDerWaalsContact O-N 3.08Å; D386-R649 HydrophobicContact CB-CB 4.2Å; D386-R649 HydrophobicContact CB-CG 4.32Å; D386-R649 WeakPolarHBondContact OD1-CD 3.41Å; D386-R649 VanDerWaalsContact OD1-CG 3.3Å; D386-R649 WeakPolarHBondContact OD1-CG 3.49Å; D386-R649 IonicContact OD1-NE 2.73Å; D386-R649 PolarHBondContact OD1-NE 3.02Å; D386-R652 IonicContact OD1-NH1 3.13Å; D386-R652 IonicContact OD2-CZ 2.83Å; D386-R652 IonicContact OD2-NH1 2.68Å; D386-R652 PolarHBondContact OD2-NH1 2.97Å; D386-R652 IonicContact OD2-NH2 3.33Å; D386-R652 PolarHBondContact OD2-NH2 3.23Å; D386-V653 HydrophobicContact CB-CG2 3.69Å
387I95Very high91.5Very high0 Ų043.7 Ų43.70%022%0.222CC..Hα-helixtrans-62.9-49.4170.7-63.9166.9000110.3V180 E184 L187 A383 L384 S389 L390 R391 V653V180-I387 HydrophobicContact CG2-CG1 4.29Å; V180-I387 HydrophobicContact CG2-CG2 4.02Å; E184-I387 HydrophobicContact CB-CD1 3.93Å; E184-I387 HydrophobicContact CG-CD1 4.1Å; E184-I387 HydrophobicContact CG-CG2 4.4Å; E184-I387 WeakPolarHBondContact OE1-CG2 3.25Å; L187-I387 HydrophobicContact CD1-CD1 3.84Å; A383-I387 WeakPolarHBondContact O-CG1 3.3Å; A383-I387 PolarHBondContact O-N 3.22Å; L384-I387 HydrophobicContact CD2-CD1 4.48Å; L384-I387 PolarHBondContact O-N 3.46Å; L384-I387 VanDerWaalsContact O-N 3.17Å; I387-S389 VanDerWaalsContact C-N 3.28Å; I387-S389 PolarHBondContact O-N 3.13Å; I387-L390 WeakPolarHBondContact O-CA 3.34Å; I387-L390 WeakPolarHBondContact O-CB 3.05Å; I387-L390 PolarHBondContact O-N 3.47Å; I387-R391 HydrophobicContact CG2-CG 4.45Å; I387-R391 PolarHBondContact O-N 3.49Å; I387-V653 HydrophobicContact CD1-CG1 3.73Å; I387-V653 HydrophobicContact CG1-CB 4.38Å; I387-V653 HydrophobicContact CG1-CG1 3.61Å; I387-V653 HydrophobicContact CG1-CG2 3.83Å
388H93.3Very high91.2Very high38 Ų3844.2 Ų44.218%0.17622%0.223CC..Hα-helixtrans-55.1-45.5175.8-167.7-93.2000111.7L384 H385 L390 R391 F392 S396 P397 F398L384-H388 PolarHBondContact O-N 2.79Å; H385-H388 PolarHBondContact O-N 3.47Å; H388-L390 PolarHBondContact O-N 2.84Å; H388-R391 PolarHBondContact O-N 3.37Å; H388-R391 VanDerWaalsContact O-N 3.17Å; H388-F392 AromaticContact CD2-CD2 3.57Å; H388-F392 AromaticContact CD2-CE2 3.78Å; H388-F392 AromaticContact CE1-CD2 3.88Å; H388-F392 AromaticContact CG-CD2 3.9Å; H388-F392 AromaticContact NE2-CD2 3.57Å; H388-F392 AromaticContact NE2-CE2 3.96Å; H388-F392 PolarHBondContact O-N 2.97Å; H388-S396 PolarHBondContact CE1-OG 3.38Å; H388-S396 PolarHBondContact ND1-OG 3Å; H388-S396 VanDerWaalsContact ND1-OG 3.07Å; H388-P397 PolarHBondContact CE1-O 3.47Å; H388-F398 HydrophobicContact CB-CD2 3.6Å; H388-F398 HydrophobicContact CB-CE2 4.07Å; H388-F398 HydrophobicContact CB-CG 4.36Å; H388-F398 AromaticContact CD2-CD2 3.68Å; H388-F398 AromaticContact CG-CD2 3.54Å
389S93.6Very high90.9Very high1 Ų146.8 Ų46.81%0.00724%0.236CC..Hα-helixtrans-64.5-20.5176.7-61.40000114.6H385 D386 I387 G393H385-S389 PolarHBondContact CE1-OG 2.91Å; H385-S389 PolarHBondContact ND1-OG 3.46Å; H385-S389 VanDerWaalsContact O-CB 3.3Å; H385-S389 WeakPolarHBondContact O-CB 3.49Å; H385-S389 PolarHBondContact O-N 3.33Å; H385-S389 PolarHBondContact O-OG 3.49Å; D386-S389 PolarHBondContact O-N 3.2Å; I387-S389 VanDerWaalsContact C-N 3.28Å; I387-S389 PolarHBondContact O-N 3.13Å; S389-G393 CarbonylContact O-C 3.55Å; S389-G393 WeakPolarHBondContact O-CA 3.24Å; S389-G393 PolarHBondContact O-N 3.02Å
390L95.7Very high90.3Very high0 Ų049.3 Ų49.30%025%0.247CC..Hα-helixtrans-90.3-29.7175.2-69.4164000111.8F176 D386 I387 H388 L412 V415 C646 R649 M650F176-L390 HydrophobicContact CE1-CD1 3.86Å; F176-L390 HydrophobicContact CZ-CD1 4.21Å; D386-L390 WeakPolarHBondContact O-CD1 3.47Å; D386-L390 WeakPolarHBondContact O-CG 3.22Å; D386-L390 PolarHBondContact O-N 3.37Å; D386-L390 VanDerWaalsContact O-N 3.08Å; I387-L390 WeakPolarHBondContact O-CA 3.34Å; I387-L390 WeakPolarHBondContact O-CB 3.05Å; I387-L390 PolarHBondContact O-N 3.47Å; H388-L390 PolarHBondContact O-N 2.84Å; L390-L412 HydrophobicContact CB-CD2 4.04Å; L390-V415 HydrophobicContact CB-CG2 4.03Å; L390-V415 HydrophobicContact CD2-CG2 3.51Å; L390-V415 HydrophobicContact CG-CG2 4.39Å; L390-V415 WeakPolarHBondContact O-CG2 3.33Å; L390-V415 PolarHBondContact O-N 3.29Å; L390-C646 HydrophobicContact CD2-CB 3.72Å; L390-R649 HydrophobicContact CD1-CB 4.02Å; L390-R649 HydrophobicContact CD2-CB 3.98Å; L390-R649 HydrophobicContact CG-CB 4.07Å; L390-M650 HydrophobicContact CD1-CB 4.47Å; L390-M650 HydrophobicContact CD1-CG 3.6Å; L390-M650 HydrophobicContact CD2-CG 3.84Å; L390-M650 HydrophobicContact CG-CG 4.39Å
391R93.7Very high89.4Confident17 Ų1755.8 Ų55.86%0.06428%0.281CS..Hα-helixtrans-74.3-51.7173.5-67.8-178.8-175.3-70.810.7112E184 I387 H388 T409 E411 L412 Y414E184-R391 IonicContact OE1-CZ 3.27Å; E184-R391 IonicContact OE1-NE 3.45Å; E184-R391 PolarHBondContact OE1-NE 3.37Å; E184-R391 VanDerWaalsContact OE1-NE 3.1Å; E184-R391 IonicContact OE1-NH2 2.7Å; E184-R391 PolarHBondContact OE1-NH2 2.98Å; E184-R391 IonicContact OE2-CZ 2.71Å; E184-R391 IonicContact OE2-NE 3Å; E184-R391 IonicContact OE2-NH2 3.91Å; E184-R391 PolarHBondContact OE2-NH2 3.46Å; I387-R391 HydrophobicContact CG2-CG 4.45Å; I387-R391 PolarHBondContact O-N 3.49Å; H388-R391 PolarHBondContact O-N 3.37Å; H388-R391 VanDerWaalsContact O-N 3.17Å; R391-T409 PolarHBondContact NH1-O 2.79Å; R391-T409 VanDerWaalsContact NH1-O 3.09Å; R391-T409 PolarHBondContact NH1-OG1 2.7Å; R391-T409 PolarHBondContact NH2-O 3.49Å; R391-E411 PolarHBondContact NH1-O 2.82Å; R391-L412 HydrophobicContact CG-CD2 3.8Å; R391-Y414 VanDerWaalsContact O-CB 3.23Å; R391-Y414 WeakPolarHBondContact O-CB 3.4Å; R391-Y414 PolarHBondContact O-N 3.24Å
392F92.6Very high88.3Confident129 Ų12954.6 Ų54.657%0.56629%0.285SS*.SBendtrans-119-1.5-164.1-48.9-65.1000114.5H388H388-F392 AromaticContact CD2-CD2 3.57Å; H388-F392 AromaticContact CD2-CE2 3.78Å; H388-F392 AromaticContact CE1-CD2 3.88Å; H388-F392 AromaticContact CG-CD2 3.9Å; H388-F392 AromaticContact NE2-CD2 3.57Å; H388-F392 AromaticContact NE2-CE2 3.96Å; H388-F392 PolarHBondContact O-N 2.97Å
393G91.7Very high87.2Confident3 Ų357.4 Ų57.43%0.03130%0.3CS..  trans91.3164.6-179.500000114.3S389 D395 S396 Y414S389-G393 CarbonylContact O-C 3.55Å; S389-G393 WeakPolarHBondContact O-CA 3.24Å; S389-G393 PolarHBondContact O-N 3.02Å; G393-D395 VanDerWaalsContact C-N 3.29Å; G393-D395 PolarHBondContact O-N 3.18Å; G393-S396 PolarHBondContact O-N 3Å; G393-S396 PolarHBondContact O-OG 2.94Å; G393-Y414 VanDerWaalsContact CA-CD2 3.46Å; G393-Y414 VanDerWaalsContact CA-CG 3.48Å
394P88.1Confident86.4Confident47 Ų4761.2 Ų61.231%0.30532%0.32SS..THydrogen-bonded Turntrans-67.9-24.6-171.126.8-33.3000114.5Y414P394-Y414 WeakPolarHBondContact CD-OH 3.42Å
395D85.4Confident85.6Confident154 Ų15462.9 Ų62.982%0.82433%0.331SS*.THydrogen-bonded Turntrans-95.86.6-173.1-40.6-65.6000112.4G393G393-D395 VanDerWaalsContact C-N 3.29Å; G393-D395 PolarHBondContact O-N 3.18Å
396S87.2Confident84.5Confident24 Ų2467.1 Ų67.117%0.16836%0.356CS..SBendtrans-80.6135.6-18061.30000111.6H388 G393 F398H388-S396 PolarHBondContact CE1-OG 3.38Å; H388-S396 PolarHBondContact ND1-OG 3Å; H388-S396 VanDerWaalsContact ND1-OG 3.07Å; G393-S396 PolarHBondContact O-N 3Å; G393-S396 PolarHBondContact O-OG 2.94Å; S396-F398 PolarHBondContact O-N 2.84Å
397P85.1Confident83.8Confident124 Ų12472 Ų7281%0.80539%0.386SS*.PPolyproline II helixtrans-70.3116.3-176.727.7-34.1000111.3H388H388-P397 PolarHBondContact CE1-O 3.47Å
398F83.6Confident83.4Confident54 Ų5474.3 Ų74.324%0.23740%0.396CS..PPolyproline II helixtrans-101.4122.5179.1176.5-111.7000111.6L384 H385 H388 S396 F400L384-F398 HydrophobicContact CB-CZ 3.92Å; H385-F398 HydrophobicContact CB-CD1 3.88Å; H385-F398 HydrophobicContact CB-CE1 3.83Å; H385-F398 HydrophobicContact CB-CG 4.45Å; H385-F398 HydrophobicContact CB-CZ 4.38Å; H385-F398 AromaticContact CD2-CD1 3.72Å; H388-F398 HydrophobicContact CB-CD2 3.6Å; H388-F398 HydrophobicContact CB-CE2 4.07Å; H388-F398 HydrophobicContact CB-CG 4.36Å; H388-F398 AromaticContact CD2-CD2 3.68Å; H388-F398 AromaticContact CG-CD2 3.54Å; S396-F398 PolarHBondContact O-N 2.84Å; F398-F400 HydrophobicContact CE1-CB 3.86Å; F398-F400 HydrophobicContact CE1-CD2 4.28Å; F398-F400 HydrophobicContact CZ-CB 4.25Å; F398-F400 HydrophobicContact CZ-CD2 4.19Å
399N83.3Confident83.1Confident97 Ų9775.8 Ų75.852%0.51941%0.408SS..  trans-107.8108.5170.7-177.95.4000110.5N401 A402N399-N401 VanDerWaalsContact C-N 3.27Å; N399-N401 PolarHBondContact O-N 3.15Å; N399-N401 PolarHBondContact OD1-N 3.08Å; N399-A402 HydrophobicContact CB-CB 4.43Å; N399-A402 WeakPolarHBondContact O-CB 3.43Å; N399-A402 PolarHBondContact O-N 3.16Å
400F74.7Confident83Confident77 Ų7779.1 Ų79.134%0.33843%0.426SS..THydrogen-bonded Turntrans-66.2-27.9176.8-179.5-102.1000113.3K381 L384 F398 A402K381-F400 HydrophobicContact CB-CD2 4.16Å; K381-F400 HydrophobicContact CB-CE2 4.12Å; K381-F400 HydrophobicContact CD-CE1 4.49Å; K381-F400 HydrophobicContact CG-CD1 4.09Å; K381-F400 HydrophobicContact CG-CD2 3.74Å; K381-F400 HydrophobicContact CG-CE1 3.88Å; K381-F400 HydrophobicContact CG-CE2 3.5Å; K381-F400 HydrophobicContact CG-CG 4.03Å; K381-F400 HydrophobicContact CG-CZ 3.58Å; L384-F400 HydrophobicContact CD1-CD2 4.38Å; L384-F400 HydrophobicContact CD1-CE2 3.82Å; F398-F400 HydrophobicContact CE1-CB 3.86Å; F398-F400 HydrophobicContact CE1-CD2 4.28Å; F398-F400 HydrophobicContact CZ-CB 4.25Å; F398-F400 HydrophobicContact CZ-CD2 4.19Å; F400-A402 PolarHBondContact O-N 3Å
401N72.9Confident82.7Confident140 Ų14084.2 Ų84.275%0.74945%0.45SS*.THydrogen-bonded Turntrans-87.410.8-179.4-62.1-6000112.5N399N399-N401 VanDerWaalsContact C-N 3.27Å; N399-N401 PolarHBondContact O-N 3.15Å; N399-N401 PolarHBondContact OD1-N 3.08Å
402A69Low82.8Confident46 Ų4683.4 Ų83.438%0.3845%0.447SS..SBendtrans-64.6148.2172.100000111.1N399 F400N399-A402 HydrophobicContact CB-CB 4.43Å; N399-A402 WeakPolarHBondContact O-CB 3.43Å; N399-A402 PolarHBondContact O-N 3.16Å; F400-A402 PolarHBondContact O-N 3Å
403K70Confident82.7Confident179 Ų17980.8 Ų80.878%0.77844%0.441SS*.  trans-57.7151.4172.1-166.9-177.6178.2-1650110.1
404L75.8Confident82.9Confident81 Ų8182.9 Ų82.942%0.42445%0.448SS..  trans-44.7130.2172.8-167.272.8000110.8Y188 D406 F408Y188-L404 HydrophobicContact CD1-CD1 4.07Å; Y188-L404 HydrophobicContact CD2-CD1 4.36Å; Y188-L404 HydrophobicContact CG-CD1 3.72Å; L404-D406 PolarHBondContact O-N 3.47Å; L404-F408 HydrophobicContact CD1-CZ 3.78Å; L404-F408 HydrophobicContact CG-CZ 4.1Å
405P76.9Confident83.2Confident40 Ų4080.8 Ų80.826%0.2644%0.435SS..  trans-60.2129.9176-23.333.7000111.2Y188 T407 F408Y188-P405 HydrophobicContact CE2-CG 3.9Å; P405-T407 PolarHBondContact O-N 3.07Å; P405-T407 VanDerWaalsContact O-N 3.11Å; P405-F408 HydrophobicContact CB-CE1 4.36Å; P405-F408 HydrophobicContact CG-CE1 4.1Å
406D71.5Confident83.7Confident152 Ų15278.6 Ų78.681%0.81342%0.415SS*.SBendtrans-65.7-14.6-179.6-54.7-67.5000112.7L404L404-D406 PolarHBondContact O-N 3.47Å
407T81.7Confident84Confident108 Ų10879.4 Ų79.466%0.66342%0.423SS*.  trans-150.3125.7172.9-64.30000111.4P405 T409P405-T407 PolarHBondContact O-N 3.07Å; P405-T407 VanDerWaalsContact O-N 3.11Å; T407-T409 HydrophobicContact CG2-CG2 4.24Å
408F85.4Confident84.5Confident49 Ų4975 Ų7522%0.21539%0.391CS..  trans-88.9104.4173.4-60.7-75.8000110.5E184 R185 Y188 L404 P405E184-F408 HydrophobicContact CB-CD1 4.01Å; E184-F408 HydrophobicContact CB-CE1 4.34Å; E184-F408 HydrophobicContact CG-CD1 3.94Å; E184-F408 HydrophobicContact CG-CE1 4.07Å; E184-F408 WeakPolarHBondContact OE2-CD1 3.02Å; R185-F408 HydrophobicContact CB-CD2 4.05Å; R185-F408 HydrophobicContact CB-CE1 4.36Å; R185-F408 HydrophobicContact CB-CE2 3.88Å; R185-F408 HydrophobicContact CB-CG 4.36Å; R185-F408 HydrophobicContact CB-CZ 4.04Å; R185-F408 HydrophobicContact CG-CD2 4.41Å; R185-F408 HydrophobicContact CG-CE2 3.99Å; R185-F408 HydrophobicContact CG-CZ 4.39Å; Y188-F408 AromaticContact CD2-CE1 3.9Å; Y188-F408 HydrophobicContact CD2-CE1 3.9Å; Y188-F408 HydrophobicContact CD2-CZ 4.44Å; Y188-F408 HydrophobicContact CE2-CE1 4.39Å; L404-F408 HydrophobicContact CD1-CZ 3.78Å; L404-F408 HydrophobicContact CG-CZ 4.1Å; P405-F408 HydrophobicContact CB-CE1 4.36Å; P405-F408 HydrophobicContact CG-CE1 4.1Å
409T87.8Confident85Confident69 Ų6972.7 Ų72.742%0.42338%0.382SS..  trans-87.415717873.80000111.6R391 T407R391-T409 PolarHBondContact NH1-O 2.79Å; R391-T409 VanDerWaalsContact NH1-O 3.09Å; R391-T409 PolarHBondContact NH1-OG1 2.7Å; R391-T409 PolarHBondContact NH2-O 3.49Å; T407-T409 HydrophobicContact CG2-CG2 4.24Å
410N91.7Very high85.6Confident72 Ų7272 Ų7239%0.38538%0.379SS..  trans-890.1173.8-80.9-24.2000114.1E177 V180 S181E177-N410 VanDerWaalsContact O-CB 3.23Å; E177-N410 WeakPolarHBondContact O-CB 3.16Å; E177-N410 PolarHBondContact O-OD1 3.4Å; E177-N410 VanDerWaalsContact O-OD1 3.1Å; V180-N410 HydrophobicContact CG1-CB 4.45Å; S181-N410 WeakPolarHBondContact CB-OD1 3.27Å; S181-N410 PolarHBondContact N-OD1 3.18Å; S181-N410 PolarHBondContact OG-OD1 3.07Å
411E89.6Confident86.5Confident107 Ų10770.2 Ų70.250%0.537%0.369SS..  trans-87.4132.9-167.3-167.2175.9-166.400113.7R391 V413R391-E411 PolarHBondContact NH1-O 2.82Å; E411-V413 HydrophobicContact CG-CG2 3.78Å
412L94.3Very high87.5Confident0 Ų063.6 Ų63.60%033%0.334CS..  trans-118.662-178.5-61.2178000110.7L173 F176 E177 V180 L390 R391 Y414 V415 R416 M650L173-L412 HydrophobicContact CD1-CB 4.34Å; L173-L412 HydrophobicContact CD1-CD1 3.86Å; F176-L412 HydrophobicContact CD1-CD1 3.48Å; F176-L412 VanDerWaalsContact CD1-CD1 3.48Å; F176-L412 HydrophobicContact CE1-CD1 3.65Å; E177-L412 HydrophobicContact CG-CD1 3.87Å; E177-L412 HydrophobicContact CG-CG 4.17Å; V180-L412 HydrophobicContact CG2-CD2 4.41Å; L390-L412 HydrophobicContact CB-CD2 4.04Å; R391-L412 HydrophobicContact CG-CD2 3.8Å; L412-Y414 VanDerWaalsContact C-N 3.3Å; L412-Y414 PolarHBondContact O-N 3.39Å; L412-V415 HydrophobicContact CB-CB 4.44Å; L412-V415 HydrophobicContact CB-CG2 4.28Å; L412-V415 PolarHBondContact O-N 3.29Å; L412-R416 PolarHBondContact O-N 2.88Å; L412-M650 HydrophobicContact CD1-SD 4.47Å
413V91.7Very high88.7Confident73 Ų7363.9 Ų63.944%0.44233%0.333SS..Hα-helixtrans-45-50.6-172.9-175.80000112.3E411 R416 A417E411-V413 HydrophobicContact CG-CG2 3.78Å; V413-R416 PolarHBondContact O-N 2.72Å; V413-A417 WeakPolarHBondContact O-CB 3.14Å; V413-A417 PolarHBondContact O-N 3.2Å
414Y95.7Very high89.8Confident48 Ų4860.2 Ų60.219%0.18832%0.319CS..Hα-helixtrans-59.4-49.2178.9173.9-94.6000112.8R391 G393 P394 L412 R416 A417 Q418 I642R391-Y414 VanDerWaalsContact O-CB 3.23Å; R391-Y414 WeakPolarHBondContact O-CB 3.4Å; R391-Y414 PolarHBondContact O-N 3.24Å; G393-Y414 VanDerWaalsContact CA-CD2 3.46Å; G393-Y414 VanDerWaalsContact CA-CG 3.48Å; P394-Y414 WeakPolarHBondContact CD-OH 3.42Å; L412-Y414 VanDerWaalsContact C-N 3.3Å; L412-Y414 PolarHBondContact O-N 3.39Å; Y414-R416 VanDerWaalsContact C-N 3.32Å; Y414-R416 PolarHBondContact O-N 2.93Å; Y414-A417 PolarHBondContact O-N 3.27Å; Y414-Q418 HydrophobicContact CE1-CG 4.1Å; Y414-Q418 HydrophobicContact CE2-CG 4.24Å; Y414-Q418 WeakPolarHBondContact O-CG 3.46Å; Y414-Q418 PolarHBondContact O-N 3Å; Y414-Q418 VanDerWaalsContact O-N 3.11Å; Y414-I642 HydrophobicContact CE1-CG2 4.42Å
415V94.8Very high90.5Very high3 Ų356.5 Ų56.52%0.01830%0.3CS..Hα-helixtrans-62.2-44.2178.9-168.80000110.7L173 L390 L412 A417 Q418 T419 C646L173-V415 HydrophobicContact CD1-CB 4.13Å; L173-V415 HydrophobicContact CD1-CG1 3.96Å; L173-V415 HydrophobicContact CD2-CB 4.45Å; L173-V415 HydrophobicContact CD2-CG1 4.03Å; L390-V415 HydrophobicContact CB-CG2 4.03Å; L390-V415 HydrophobicContact CD2-CG2 3.51Å; L390-V415 HydrophobicContact CG-CG2 4.39Å; L390-V415 WeakPolarHBondContact O-CG2 3.33Å; L390-V415 PolarHBondContact O-N 3.29Å; L412-V415 HydrophobicContact CB-CB 4.44Å; L412-V415 HydrophobicContact CB-CG2 4.28Å; L412-V415 PolarHBondContact O-N 3.29Å; V415-A417 PolarHBondContact O-N 3.38Å; V415-Q418 PolarHBondContact O-N 3.45Å; V415-Q418 VanDerWaalsContact O-N 3.15Å; V415-T419 HydrophobicContact CG1-CG2 4.44Å; V415-T419 PolarHBondContact O-N 2.96Å; V415-T419 PolarHBondContact O-OG1 2.95Å; V415-C646 HydrophobicContact CG1-CB 4.06Å; V415-C646 HydrophobicContact CG2-CB 4.11Å
416R94.7Very high91.2Very high108 Ų10854.8 Ų54.841%0.40829%0.288SS..Hα-helixtrans-61.9-42.3-178-168.2170.9-75.2-151.7-7111.6E177 L412 V413 Y414 T419 N420E177-R416 IonicContact OE1-CZ 3.05Å; E177-R416 IonicContact OE1-NE 2.7Å; E177-R416 PolarHBondContact OE1-NE 2.81Å; E177-R416 IonicContact OE1-NH2 3.55Å; E177-R416 PolarHBondContact OE1-NH2 2.94Å; E177-R416 IonicContact OE2-CZ 2.8Å; E177-R416 IonicContact OE2-NH2 3.04Å; E177-R416 PolarHBondContact OE2-NH2 3.17Å; L412-R416 PolarHBondContact O-N 2.88Å; V413-R416 PolarHBondContact O-N 2.72Å; Y414-R416 VanDerWaalsContact C-N 3.32Å; Y414-R416 PolarHBondContact O-N 2.93Å; R416-T419 WeakPolarHBondContact CA-OG1 3.21Å; R416-T419 PolarHBondContact O-N 3.11Å; R416-T419 PolarHBondContact O-OG1 3.43Å; R416-N420 WeakPolarHBondContact O-CB 3.37Å; R416-N420 PolarHBondContact O-N 3.16Å; R416-N420 PolarHBondContact O-OD1 2.94Å; R416-N420 VanDerWaalsContact O-OD1 3.12Å
417A93.5Very high92Very high41 Ų4150.7 Ų50.734%0.33927%0.268SS..Hα-helixtrans-61.3-42.7172.900000112.7V413 Y414 V415 N420 R421V413-A417 WeakPolarHBondContact O-CB 3.14Å; V413-A417 PolarHBondContact O-N 3.2Å; Y414-A417 PolarHBondContact O-N 3.27Å; V415-A417 PolarHBondContact O-N 3.38Å; A417-N420 PolarHBondContact O-N 3.11Å; A417-R421 WeakPolarHBondContact O-CB 3.26Å; A417-R421 PolarHBondContact O-N 3.06Å
418Q95.3Very high92.1Very high30 Ų3047 Ų4714%0.1424%0.244CC..Hα-helixtrans-66.8-37.8176.3-58.8-53.6-59.500112.4Y414 V415 L422 L639 I642 I643Y414-Q418 HydrophobicContact CE1-CG 4.1Å; Y414-Q418 HydrophobicContact CE2-CG 4.24Å; Y414-Q418 WeakPolarHBondContact O-CG 3.46Å; Y414-Q418 PolarHBondContact O-N 3Å; Y414-Q418 VanDerWaalsContact O-N 3.11Å; V415-Q418 PolarHBondContact O-N 3.45Å; V415-Q418 VanDerWaalsContact O-N 3.15Å; Q418-L422 PolarHBondContact O-N 3.39Å; Q418-L422 VanDerWaalsContact O-N 3.15Å; Q418-L639 VanDerWaalsContact OE1-CD2 3.3Å; Q418-I642 HydrophobicContact CB-CG2 4.41Å; Q418-I642 HydrophobicContact CG-CG2 3.9Å; Q418-I643 HydrophobicContact CB-CG1 4.21Å
419T95.5Very high92.1Very high7 Ų744.8 Ų44.84%0.04324%0.235CC..Hα-helixtrans-68.8-36.9176.648.10000112.8L166 V415 R416 S423 I643L166-T419 HydrophobicContact CD1-CG2 3.9Å; V415-T419 HydrophobicContact CG1-CG2 4.44Å; V415-T419 PolarHBondContact O-N 2.96Å; V415-T419 PolarHBondContact O-OG1 2.95Å; R416-T419 WeakPolarHBondContact CA-OG1 3.21Å; R416-T419 PolarHBondContact O-N 3.11Å; R416-T419 PolarHBondContact O-OG1 3.43Å; T419-S423 WeakPolarHBondContact O-CB 3.43Å; T419-S423 PolarHBondContact O-N 2.86Å; T419-I643 HydrophobicContact CG2-CD1 3.99Å; T419-I643 HydrophobicContact CG2-CG1 4.11Å; T419-I643 HydrophobicContact CG2-CG2 4.37Å
420N94.4Very high91.6Very high83 Ų8342.9 Ų42.944%0.44422%0.223SC..Hα-helixtrans-65.5-51.1176.3-70.310.4000110.5R416 A417 L422 S423 E424R416-N420 WeakPolarHBondContact O-CB 3.37Å; R416-N420 PolarHBondContact O-N 3.16Å; R416-N420 PolarHBondContact O-OD1 2.94Å; R416-N420 VanDerWaalsContact O-OD1 3.12Å; A417-N420 PolarHBondContact O-N 3.11Å; N420-L422 VanDerWaalsContact C-N 3.29Å; N420-L422 PolarHBondContact O-N 3.11Å; N420-S423 CarbonylContact O-C 3.58Å; N420-S423 VanDerWaalsContact O-CA 3.31Å; N420-S423 WeakPolarHBondContact O-CA 3.3Å; N420-S423 WeakPolarHBondContact O-CB 3.43Å; N420-S423 PolarHBondContact O-N 3.34Å; N420-E424 WeakPolarHBondContact CB-OE1 3.27Å; N420-E424 WeakPolarHBondContact O-CG 3.32Å; N420-E424 PolarHBondContact O-N 3.01Å
421R93.2Very high90.6Very high39 Ų3942.7 Ų42.715%0.14722%0.224CC..Hα-helixtrans-54.2-40.1175.8-174177.4167.5132.3-12.2113.4A417 E424 L425 F512 P513 E635 L639A417-R421 WeakPolarHBondContact O-CB 3.26Å; A417-R421 PolarHBondContact O-N 3.06Å; R421-E424 WeakPolarHBondContact CA-OE2 3.27Å; R421-L425 WeakPolarHBondContact O-CG 3.39Å; R421-L425 PolarHBondContact O-N 2.84Å; R421-F512 PolarHBondContact NH1-O 2.7Å; R421-F512 PolarHBondContact NH2-O 3.1Å; R421-P513 PolarHBondContact NH1-O 3.22Å; R421-E635 IonicContact CZ-OE1 2.61Å; R421-E635 VanDerWaalsContact CZ-OE1 3.31Å; R421-E635 IonicContact NE-OE1 3.53Å; R421-E635 PolarHBondContact NE-OE1 3.38Å; R421-E635 IonicContact NH2-OE1 3.18Å; R421-E635 PolarHBondContact NH2-OE1 3.01Å; R421-L639 HydrophobicContact CG-CD1 3.86Å; R421-L639 HydrophobicContact CG-CD2 4.28Å
422L95.5Very high89.2Confident0 Ų038.4 Ų38.40%021%0.206CC..Hα-helixtrans-70.5-35.5173.9-175.556.8000112.4T162 L166 Q418 N420 I426 L636 L639 D640 I643T162-L422 HydrophobicContact CG2-CD1 4.16Å; T162-L422 HydrophobicContact CG2-CD2 3.99Å; T162-L422 HydrophobicContact CG2-CG 4.49Å; L166-L422 HydrophobicContact CB-CD2 4.44Å; L166-L422 HydrophobicContact CD1-CD2 4.41Å; L166-L422 HydrophobicContact CD2-CB 4.4Å; L166-L422 HydrophobicContact CD2-CG 4.23Å; Q418-L422 PolarHBondContact O-N 3.39Å; Q418-L422 VanDerWaalsContact O-N 3.15Å; N420-L422 VanDerWaalsContact C-N 3.29Å; N420-L422 PolarHBondContact O-N 3.11Å; L422-I426 HydrophobicContact CD1-CD1 4.04Å; L422-I426 HydrophobicContact CD1-CG1 4.33Å; L422-I426 HydrophobicContact CG-CD1 3.9Å; L422-I426 WeakPolarHBondContact O-CB 3.36Å; L422-I426 WeakPolarHBondContact O-CD1 3.43Å; L422-I426 VanDerWaalsContact O-CG1 3.25Å; L422-I426 WeakPolarHBondContact O-CG1 3.46Å; L422-I426 PolarHBondContact O-N 3.4Å; L422-I426 VanDerWaalsContact O-N 3.11Å; L422-L636 HydrophobicContact CD1-CG 3.99Å; L422-L639 HydrophobicContact CB-CB 4.22Å; L422-L639 HydrophobicContact CD1-CB 4.13Å; L422-D640 HydrophobicContact CD2-CB 4.19Å; L422-I643 HydrophobicContact CB-CD1 3.92Å; L422-I643 HydrophobicContact CD2-CD1 3.52Å; L422-I643 HydrophobicContact CG-CD1 4.37Å
423S94.5Very high87.5Confident53 Ų5341.5 Ų41.537%0.37123%0.228SC..Hα-helixtrans-64.2-39.8174.2-163.50000112.1T419 N420 I426 T427T419-S423 WeakPolarHBondContact O-CB 3.43Å; T419-S423 PolarHBondContact O-N 2.86Å; N420-S423 CarbonylContact O-C 3.58Å; N420-S423 VanDerWaalsContact O-CA 3.31Å; N420-S423 WeakPolarHBondContact O-CA 3.3Å; N420-S423 WeakPolarHBondContact O-CB 3.43Å; N420-S423 PolarHBondContact O-N 3.34Å; S423-I426 PolarHBondContact O-N 3Å; S423-T427 VanDerWaalsContact O-CB 3.3Å; S423-T427 WeakPolarHBondContact O-CB 3.28Å; S423-T427 PolarHBondContact O-N 3.15Å; S423-T427 PolarHBondContact O-OG1 3.03Å
424E92Very high85.4Confident102 Ų10245.3 Ų45.348%0.47724%0.239SC..Hα-helixtrans-61.7-52.3177-71.9142.9-144.900111N420 R421 I426 T427 M428N420-E424 WeakPolarHBondContact CB-OE1 3.27Å; N420-E424 WeakPolarHBondContact O-CG 3.32Å; N420-E424 PolarHBondContact O-N 3.01Å; R421-E424 WeakPolarHBondContact CA-OE2 3.27Å; E424-I426 PolarHBondContact O-N 2.85Å; E424-T427 CarbonylContact O-C 3.58Å; E424-T427 WeakPolarHBondContact O-CA 3.4Å; E424-T427 WeakPolarHBondContact O-CB 3.42Å; E424-T427 PolarHBondContact O-N 3.25Å; E424-M428 WeakPolarHBondContact O-CG 3.31Å; E424-M428 PolarHBondContact O-N 2.87Å
425L91.3Very high82.5Confident3 Ų345.2 Ų45.22%0.01625%0.245CC..Hα-helixtrans-58.1-45.4176.6-64177.4000112.5R421 T427 M428 V429 F512 F632 E635 L639R421-L425 WeakPolarHBondContact O-CG 3.39Å; R421-L425 PolarHBondContact O-N 2.84Å; L425-T427 VanDerWaalsContact C-N 3.25Å; L425-T427 PolarHBondContact O-N 3.37Å; L425-M428 HydrophobicContact CD2-SD 4.23Å; L425-M428 WeakPolarHBondContact O-CB 3.32Å; L425-M428 PolarHBondContact O-N 3.24Å; L425-V429 PolarHBondContact O-N 3.44Å; L425-F512 HydrophobicContact CD2-CD2 4.16Å; L425-F512 HydrophobicContact CD2-CE2 3.38Å; L425-F512 HydrophobicContact CD2-CZ 3.7Å; L425-F632 HydrophobicContact CB-CE2 4.44Å; L425-F632 HydrophobicContact CB-CZ 4.01Å; L425-F632 HydrophobicContact CD2-CE2 3.81Å; L425-F632 HydrophobicContact CD2-CZ 4.24Å; L425-E635 HydrophobicContact CD1-CG 3.83Å; L425-L639 HydrophobicContact CD1-CD1 3.47Å; L425-L639 VanDerWaalsContact CD1-CD1 3.47Å
426I91.9Very high79.7Confident3 Ų348.8 Ų48.82%0.01526%0.264CS..Hα-helixtrans-62.3-37.9176.4-71169.1000110.4T162 N163 L166 L422 S423 E424 V429 T430 L636T162-I426 HydrophobicContact CG2-CD1 4.19Å; N163-I426 HydrophobicContact CB-CD1 4.15Å; N163-I426 HydrophobicContact CB-CG2 3.88Å; L166-I426 HydrophobicContact CD2-CD1 4.05Å; L422-I426 HydrophobicContact CD1-CD1 4.04Å; L422-I426 HydrophobicContact CD1-CG1 4.33Å; L422-I426 HydrophobicContact CG-CD1 3.9Å; L422-I426 WeakPolarHBondContact O-CB 3.36Å; L422-I426 WeakPolarHBondContact O-CD1 3.43Å; L422-I426 VanDerWaalsContact O-CG1 3.25Å; L422-I426 WeakPolarHBondContact O-CG1 3.46Å; L422-I426 PolarHBondContact O-N 3.4Å; L422-I426 VanDerWaalsContact O-N 3.11Å; S423-I426 PolarHBondContact O-N 3Å; E424-I426 PolarHBondContact O-N 2.85Å; I426-V429 PolarHBondContact O-N 3.3Å; I426-T430 WeakPolarHBondContact O-CG2 3.47Å; I426-T430 PolarHBondContact O-N 3.43Å; I426-L636 HydrophobicContact CG1-CD1 4.42Å
427T87.9Confident76.7Confident66 Ų6650.6 Ų50.641%0.40527%0.272SS..Hα-helixtrans-64.3-45.6177.2-59.20000110.9S423 E424 L425 V429 T430 T431S423-T427 VanDerWaalsContact O-CB 3.3Å; S423-T427 WeakPolarHBondContact O-CB 3.28Å; S423-T427 PolarHBondContact O-N 3.15Å; S423-T427 PolarHBondContact O-OG1 3.03Å; E424-T427 CarbonylContact O-C 3.58Å; E424-T427 WeakPolarHBondContact O-CA 3.4Å; E424-T427 WeakPolarHBondContact O-CB 3.42Å; E424-T427 PolarHBondContact O-N 3.25Å; L425-T427 VanDerWaalsContact C-N 3.25Å; L425-T427 PolarHBondContact O-N 3.37Å; T427-V429 VanDerWaalsContact C-N 3.33Å; T427-V429 PolarHBondContact O-N 3Å; T427-T430 CarbonylContact O-C 3.6Å; T427-T430 WeakPolarHBondContact O-CA 3.14Å; T427-T430 PolarHBondContact O-N 3.12Å; T427-T430 PolarHBondContact O-OG1 3.48Å; T427-T431 HydrophobicContact CG2-CG2 4.1Å; T427-T431 PolarHBondContact O-N 2.95Å; T427-T431 PolarHBondContact O-OG1 3.17Å
428M83.6Confident73.6Confident30 Ų3054.6 Ų54.615%0.14829%0.288CS..Hα-helixtrans-54-44.4176.5-68.5173.8-175.800112.8E424 L425 T430 T431 C432 F512 L527 V530E424-M428 WeakPolarHBondContact O-CG 3.31Å; E424-M428 PolarHBondContact O-N 2.87Å; L425-M428 HydrophobicContact CD2-SD 4.23Å; L425-M428 WeakPolarHBondContact O-CB 3.32Å; L425-M428 PolarHBondContact O-N 3.24Å; M428-T430 VanDerWaalsContact C-N 3.28Å; M428-T430 PolarHBondContact O-N 2.78Å; M428-T431 WeakPolarHBondContact CA-OG1 3.44Å; M428-T431 PolarHBondContact O-N 2.74Å; M428-T431 PolarHBondContact O-OG1 3.28Å; M428-T431 VanDerWaalsContact O-OG1 3.07Å; M428-C432 PolarHBondContact O-N 3.01Å; M428-C432 VanDerWaalsContact O-N 3.13Å; M428-C432 PolarHBondContact O-SG 2.85Å; M428-C432 VanDerWaalsContact O-SG 3.34Å; M428-F512 HydrophobicContact CE-CE1 4.27Å; M428-F512 HydrophobicContact CE-CZ 4.33Å; M428-F512 HydrophobicContact SD-CZ 4.38Å; M428-L527 HydrophobicContact CE-CD1 4.03Å; M428-L527 HydrophobicContact CG-CD1 4.33Å; M428-V530 HydrophobicContact CB-CG1 4.12Å; M428-V530 HydrophobicContact SD-CG1 4.37Å; M428-V530 HydrophobicContact SD-CG2 4.17Å
429V85.5Confident70.6Confident3 Ų361.2 Ų61.22%0.01832%0.318CS..Hα-helixtrans-59-42.2174.4-179.40000110.5L155 A159 L425 I426 T427 S433 F632L155-V429 HydrophobicContact CD2-CG1 4.19Å; L155-V429 HydrophobicContact CD2-CG2 4.02Å; L155-V429 HydrophobicContact CG-CG1 4.24Å; L155-V429 HydrophobicContact CG-CG2 4.24Å; A159-V429 HydrophobicContact CB-CB 4.36Å; A159-V429 HydrophobicContact CB-CG1 4.16Å; A159-V429 HydrophobicContact CB-CG2 4.33Å; L425-V429 PolarHBondContact O-N 3.44Å; I426-V429 PolarHBondContact O-N 3.3Å; T427-V429 VanDerWaalsContact C-N 3.33Å; T427-V429 PolarHBondContact O-N 3Å; V429-S433 VanDerWaalsContact O-CB 3.29Å; V429-S433 WeakPolarHBondContact O-CB 3.48Å; V429-S433 PolarHBondContact O-N 2.88Å; V429-S433 PolarHBondContact O-OG 3.2Å; V429-F632 HydrophobicContact CG2-CE1 3.55Å; V429-F632 HydrophobicContact CG2-CZ 3.65Å
430T77.6Confident67.4Low29 Ų2968.8 Ų68.818%0.17836%0.356CS..Hα-helixtrans-81.6-12.9-178.472.80000115.5I426 T427 M428 K434 F1864I426-T430 WeakPolarHBondContact O-CG2 3.47Å; I426-T430 PolarHBondContact O-N 3.43Å; T427-T430 CarbonylContact O-C 3.6Å; T427-T430 WeakPolarHBondContact O-CA 3.14Å; T427-T430 PolarHBondContact O-N 3.12Å; T427-T430 PolarHBondContact O-OG1 3.48Å; M428-T430 VanDerWaalsContact C-N 3.28Å; M428-T430 PolarHBondContact O-N 2.78Å; T430-K434 VanDerWaalsContact O-CD 3.24Å; T430-K434 WeakPolarHBondContact O-CD 3.45Å; T430-K434 WeakPolarHBondContact O-CE 3.32Å; T430-K434 WeakPolarHBondContact O-CG 3.24Å; T430-K434 PolarHBondContact O-NZ 2.89Å; T430-F1864 HydrophobicContact CG2-CD1 4.39Å; T430-F1864 HydrophobicContact CG2-CE1 3.9Å; T430-F1864 HydrophobicContact CG2-CE2 4.07Å; T430-F1864 HydrophobicContact CG2-CZ 3.72Å
431T70.1Confident64.3Low68 Ų6870.9 Ų70.942%0.41737%0.371SS..Hα-helixtrans-88.5-47.8173.949.10000110.6T427 M428 S433 K434 S435T427-T431 HydrophobicContact CG2-CG2 4.1Å; T427-T431 PolarHBondContact O-N 2.95Å; T427-T431 PolarHBondContact O-OG1 3.17Å; M428-T431 WeakPolarHBondContact CA-OG1 3.44Å; M428-T431 PolarHBondContact O-N 2.74Å; M428-T431 PolarHBondContact O-OG1 3.28Å; M428-T431 VanDerWaalsContact O-OG1 3.07Å; T431-S433 PolarHBondContact O-N 3.41Å; T431-K434 PolarHBondContact O-N 3.45Å; T431-S435 PolarHBondContact O-N 2.95Å
432C61.2Low61.1Low17 Ų1774.8 Ų74.812%0.11540%0.4CS..Hα-helixtrans-64-28.4176.4-55.90000112.1M428 K434 L534M428-C432 PolarHBondContact O-N 3.01Å; M428-C432 VanDerWaalsContact O-N 3.13Å; M428-C432 PolarHBondContact O-SG 2.85Å; M428-C432 VanDerWaalsContact O-SG 3.34Å; C432-K434 PolarHBondContact O-N 3.11Å; C432-L534 HydrophobicContact CB-CB 3.68Å; C432-L534 HydrophobicContact CB-CD1 3.6Å; C432-L534 HydrophobicContact CB-CG 4.29Å
433S58.3Low57.7Low66 Ų6679.7 Ų79.746%0.46243%0.434SS..THydrogen-bonded Turntrans-70.6-0.3170.9-59.60000115V429 T431V429-S433 VanDerWaalsContact O-CB 3.29Å; V429-S433 WeakPolarHBondContact O-CB 3.48Å; V429-S433 PolarHBondContact O-N 2.88Å; V429-S433 PolarHBondContact O-OG 3.2Å; T431-S433 PolarHBondContact O-N 3.41Å
434K46.5Very low54.4Low152 Ų15284.2 Ų84.266%0.66146%0.46SS*.THydrogen-bonded Turntrans-122.2-27.8-177.7-66174.7-170.3128.20114.1T430 T431 C432 N436T430-K434 VanDerWaalsContact O-CD 3.24Å; T430-K434 WeakPolarHBondContact O-CD 3.45Å; T430-K434 WeakPolarHBondContact O-CE 3.32Å; T430-K434 WeakPolarHBondContact O-CG 3.24Å; T430-K434 PolarHBondContact O-NZ 2.89Å; T431-K434 PolarHBondContact O-N 3.45Å; C432-K434 PolarHBondContact O-N 3.11Å; K434-N436 PolarHBondContact O-N 2.94Å; K434-N436 VanDerWaalsContact O-N 3.09Å
435S36.2Very low51.3Low47 Ų4787.3 Ų87.333%0.32948%0.476SS..  trans-81.885.9-176.958.10000111.4T431T431-S435 PolarHBondContact O-N 2.95Å
436N35Very low48Very low77 Ų7792.2 Ų92.241%0.41251%0.51SS..  trans-175.3118.3148.1-93.3-22000110.6K434 D535K434-N436 PolarHBondContact O-N 2.94Å; K434-N436 VanDerWaalsContact O-N 3.09Å; N436-D535 PolarHBondContact ND2-OD1 3.33Å
437Y32.9Very low44.8Very low147 Ų147100.5 Ų100.558%0.57655%0.549SS*.SBend-176.1-32.1126.2-103-61.7000112.5E439 Q1859Y437-E439 PolarHBondContact O-N 3.48Å; Y437-Q1859 PolarHBondContact OH-NE2 2.97Å
438D28.3Very low41.8Very low125 Ų125103.5 Ų103.567%0.66857%0.57SS**THydrogen-bonded Turntrans-85.1-7.1-166.5-64.2-36.6000116.4
439E30.8Very low39.1Very low168 Ų168107 Ų10779%0.78560%0.597SS**THydrogen-bonded Turntrans-108.4-2.7-168.7-155.8163.9-139.800114.8Y437Y437-E439 PolarHBondContact O-N 3.48Å
440M28.3Very low36.2Very low167 Ų167113 Ų11382%0.82363%0.634SS**SBendtrans-107.931-171.8-149175.2-169.200115.5
441T28.9Very low33.8Very low126 Ų126121.4 Ų121.477%0.77367%0.668SS**SBendtrans-114.8-6.7172.547.20000114.8
442T26.4Very low31.7Very low121 Ų121123.5 Ų123.574%0.74269%0.685SS**SBendtrans-135.557.2-177.851.10000112.6
443S25.3Very low30.2Very low103 Ų103128.7 Ų128.772%0.7272%0.719SS**  trans-152.4102.1164.5-83.90000111.1M445S443-M445 PolarHBondContact O-N 2.86Å
444T25.6Very low28.9Very low149 Ų149131.2 Ų131.291%0.91474%0.736SS**  trans-72.288.6169450000109.8
445M25.6Very low28Very low167 Ų167131.2 Ų131.282%0.82374%0.744SS**PPolyproline II helixtrans-86.9134.3169.6-82.3-92.776.600111.1S443S443-M445 PolarHBondContact O-N 2.86Å
446S23.2Very low27.7Very low105 Ų105135.1 Ų135.173%0.73477%0.766SS**PPolyproline II helixtrans-67.1143.4-172.9-52.70000113.5P448S446-P448 WeakPolarHBondContact O-CD 3.42Å
447H23.4Very low27.4Very low177 Ų177136.9 Ų136.982%0.81978%0.779SS**PPolyproline II helixtrans-60.7124.5170.4-74-89000111.9S449H447-S449 PolarHBondContact O-N 2.78Å; H447-S449 VanDerWaalsContact O-N 3.16Å
448P25.7Very low27.1Very low130 Ų130136 Ų13684%0.84479%0.79SS**  trans-75.297.5158.630.6-30.4000108.4S446S446-P448 WeakPolarHBondContact O-CD 3.42Å
449S26.3Very low27.2Very low102 Ų102136 Ų13671%0.71379%0.794SS**  trans-76.1133.5-175.250.70000113H447H447-S449 PolarHBondContact O-N 2.78Å; H447-S449 VanDerWaalsContact O-N 3.16Å
450T25.3Very low27.1Very low131 Ų131135.3 Ų135.380%0.80480%0.796SS**  trans-44.4129.8178.550.10000114.6
451K27Very low27.4Very low204 Ų204132.7 Ų132.789%0.88779%0.791SS**  trans-134.9106.4156.7-77.1-172.3177.2170.80111
452S26.5Very low27.3Very low113 Ų113132.8 Ų132.879%0.7979%0.791SS**  trans-73148.3179.3-41.70000112.3
453P29.5Very low27.5Very low125 Ų125133 Ų13381%0.81279%0.793SS**  trans-92.4141170.535-31.7000112.3
454S29.4Very low27.7Very low119 Ų119135.7 Ų135.783%0.83279%0.794SS**  trans-152.6130.9163.960.60000110.4
455N27.9Very low27.9Very low153 Ų153135.8 Ų135.882%0.81879%0.786SS**  trans-84.1157.4-172.8-60.8-34.6000113
456T31Very low28Very low128 Ų128134.9 Ų134.979%0.78578%0.784SS**  178.5111.2112-67.70000112.4
457T27.5Very low28.3Very low114 Ų114136.4 Ų136.470%0.69979%0.789SS**  trans26.5134.8139.7-29.30000123.3
458T26.5Very low28.6Very low130 Ų130134.3 Ų134.380%0.79879%0.789SS**  trans68.6145.2155.630.80000118.8
459T31Very low28.8Very low125 Ų125136 Ų13677%0.76779%0.787SS**  cis-135.9151.114.151.70000115
460N28.5Very low28.8Very low153 Ų153136.2 Ų136.282%0.81879%0.789SS**  trans-70.8172.2157.1-78.7-18.8000110.9
461P35.5Very low28.7Very low111 Ų111134.8 Ų134.872%0.72178%0.784SS**  cis-151.4178.428.945.3-24.6000119.8
462V25.8Very low28.7Very low128 Ų128130.2 Ų130.278%0.77678%0.778SS**  trans54.4116.6142.5165.20000117.9
463T30.4Very low28.6Very low127 Ų127130.6 Ų130.678%0.77977%0.765SS**  -164.9150.876.5-54.30000112.8
464E29.9Very low28.3Very low159 Ų159130.2 Ų130.274%0.74376%0.757SS**  trans130.4115140-160.1147.3-11900116.6
465M29.8Very low28.1Very low150 Ų150131.3 Ų131.374%0.73975%0.752SS**  trans43.9122161.5-64.6-178.1-162.200120.6
466N28.5Very low28.3Very low148 Ų148128.8 Ų128.879%0.79175%0.746SS**  78.3151.854.3-66.2-21.7000114.1
467T30Very low28.4Very low137 Ų137129.2 Ų129.284%0.8474%0.743SS**  trans91.2104.1-175.8-46.30000112.4
468V29.1Very low28.6Very low133 Ų133130.8 Ų130.881%0.80675%0.748SS**  cis-144170.6-8.8-154.70000108.8
469M28.9Very low28.8Very low166 Ų166129 Ų12982%0.81874%0.741SS**  trans-85.1176.2158.6-69.2176.6-77.300111.7
470S26.1Very low29Very low107 Ų107128.5 Ų128.575%0.74874%0.738SS**  -5151.2128.6-430000117.8
471S24Very low29.3Very low100 Ų100127.2 Ų127.270%0.69973%0.731SS**  cis-179.3146.1-8.346.10000111.4
472S26Very low29.2Very low109 Ų109127.9 Ų127.976%0.76273%0.728SS**  trans66140.5152.5-58.30000121.7
473K26.2Very low29.5Very low120 Ų120128.3 Ų128.352%0.52273%0.726SS.*  trans65.7145155-68.3-178.5171.7175.70116.8N487 D488K473-N487 PolarHBondContact NZ-OD1 2.69Å; K473-N487 VanDerWaalsContact NZ-OD1 3.16Å; K473-D488 IonicContact NZ-OD1 3.43Å; K473-D488 IonicContact NZ-OD2 3.2Å; K473-D488 PolarHBondContact NZ-OD2 3.44Å
474D22.9Very low29.7Very low118 Ų118128.7 Ų128.763%0.63172%0.722SS**  cis-156.9157.6-5.3-112.2-26.5000113
475I25.6Very low29.8Very low142 Ų142127 Ų12773%0.72872%0.723SS**  trans40.2119.9144.2-57.1159.3000120.2
476S31.3Very low29.9Very low99 Ų99124.2 Ų124.269%0.69272%0.718SS**  -162.3120.8125.366.20000113.7
477N32.4Very low30Very low137 Ų137122.9 Ų122.973%0.73371%0.711SS**  trans45.8125.4140.4-45.6-10000118.8
478N31.6Very low30.1Very low147 Ų147121.9 Ų121.979%0.78670%0.7SS**  cis-161.61628.4-105.74.5000107
479S31.8Very low30.1Very low93 Ų93121 Ų12165%0.6570%0.7SS**  cis-162.6-177.8-3.448.20000106.8
480T35.1Very low30.3Very low115 Ų115121.1 Ų121.171%0.70670%0.704SS**  cis-151.4164.321.65.90000110.6
481D33.6Very low30.5Very low126 Ų126119.1 Ų119.167%0.67470%0.701SS**  trans62.882.7148.2-64.224.7000120.8
482N35.2Very low30.8Very low125 Ų125118.9 Ų118.967%0.66871%0.705SS**  97.2105.9121.2-54.1-24.4000121.1
483D30.3Very low31Very low136 Ų136120 Ų12073%0.72771%0.707SS**  74.9137125.7-61.6-9.9000121.3
484I35Very low31.1Very low136 Ų136119.7 Ų119.770%0.69771%0.71SS**  cis-157.6136.7-1.7-122.7163.8000112.6
485T33.3Very low31.3Very low123 Ų123122.6 Ų122.676%0.75572%0.718SS**  trans15.4154.1154.463.50000124.6
486S31.3Very low31.3Very low91 Ų91125 Ų12564%0.63672%0.723SS**  cis177.7152.8-1458.50000114.4
487N30.6Very low31.5Very low121 Ų121128.7 Ų128.765%0.64773%0.729SS**  trans53.8157.6136.8-62.9-8.7000123K473K473-N487 PolarHBondContact NZ-OD1 2.69Å; K473-N487 VanDerWaalsContact NZ-OD1 3.16Å
488D31.2Very low31.1Very low115 Ų115129.5 Ų129.562%0.61573%0.732SS**  cis-164.6-175.8-13.7-106.9-30.3000111.9K473K473-D488 IonicContact NZ-OD1 3.43Å; K473-D488 IonicContact NZ-OD2 3.2Å; K473-D488 PolarHBondContact NZ-OD2 3.44Å
489S30.4Very low30.8Very low114 Ų114127.7 Ų127.780%0.79773%0.728SS**  trans-153.5-166.9173.8-660000111
490N32.8Very low30.4Very low169 Ų169129.1 Ų129.190%0.90474%0.735SS**  cis-168.1166.614.7-164.5-2.6000111.8
491G30.2Very low30Very low66 Ų66132.8 Ų132.868%0.6874%0.742SS**  trans122.4170148.600000120.6
492A30Very low29.5Very low95 Ų95134.7 Ų134.779%0.78575%0.748SS**  cis-177-175.7-14.700000113.1
493V29.6Very low28.9Very low133 Ų133133.8 Ų133.881%0.80675%0.752SS**  trans80.2138.5155.2156.90000117.5
494N28.6Very low28.7Very low112 Ų112132.2 Ų132.260%0.59975%0.752SS**  cis-165.1147-1.6-132.7-36.7000114.5
495K27.2Very low28.2Very low180 Ų180130.8 Ų130.878%0.78375%0.753SS**  trans65.2156.8153.1-71.6154.1-172.6172.30119.4
496K27Very low27.9Very low192 Ų192130.6 Ų130.684%0.83575%0.752SS**  cis-160.9168.623.6-157.1-177.7178.9-175.60113.4
497Q33.5Very low27.8Very low176 Ų176136.6 Ų136.682%0.82276%0.763SS**  trans100151.8150.3-157.9161.6-5.100119.6
498I25.3Very low27.5Very low154 Ų154135.8 Ų135.879%0.7977%0.766SS**  trans-138.8134.5-175.8-62.5171.1000110.1
499P24.1Very low27.4Very low110 Ų110132.7 Ų132.771%0.71475%0.754SS**  trans-115.5171.715535.2-21.9000112.2
500P23.9Very low27.7Very low122 Ų122129.3 Ų129.379%0.79273%0.729SS**  trans-87.4146.5-167.433.8-35.6000114.9M502P500-M502 PolarHBondContact O-N 2.75Å; P500-M502 VanDerWaalsContact O-N 3.16Å
501F26.7Very low28.2Very low193 Ų193123.3 Ų123.385%0.84670%0.696SS**  trans-76.198172.3-103.2-87.4000112.2
502M23Very low28.8Very low165 Ų165121.3 Ų121.381%0.81367%0.669SS**  trans-102146.1142.5-78.7-169.567.600108.5P500P500-M502 PolarHBondContact O-N 2.75Å; P500-M502 VanDerWaalsContact O-N 3.16Å
503S23.4Very low28.9Very low107 Ų107120.6 Ų120.675%0.74866%0.656SS**  trans55.4112.9169.837.40000117.3
504S26.7Very low29.2Very low103 Ų103117.6 Ų117.672%0.7264%0.641SS**  trans-131127.2142.1-171.20000108.1
505S24.6Very low29.4Very low105 Ų105120.6 Ų120.673%0.73465%0.649SS**  trans-124.195.2-159.555.40000112.2
506T25.8Very low29.5Very low119 Ų119119.6 Ų119.673%0.7365%0.651SS**  trans-134.446179.4-36.40000112.5S508T506-S508 VanDerWaalsContact C-N 3.33Å; T506-S508 PolarHBondContact O-N 3.05Å
507Y28.6Very low29.6Very low217 Ų217115 Ų11585%0.85164%0.641SS**  trans-72.886.6169.7-75.7-72.1000110.7S509Y507-S509 PolarHBondContact O-N 2.9Å; Y507-S509 PolarHBondContact O-OG 2.76Å
508S25.4Very low29.4Very low104 Ų104115.2 Ų115.273%0.72764%0.636SS**  trans-53.8108.8171.1-74.80000109.8T506 T510T506-S508 VanDerWaalsContact C-N 3.33Å; T506-S508 PolarHBondContact O-N 3.05Å; S508-T510 VanDerWaalsContact C-N 3.32Å; S508-T510 PolarHBondContact O-N 3.29Å
509S27.8Very low29.5Very low51 Ų51113.9 Ų113.936%0.35763%0.63SS.*SBendtrans-88.864.3-158.8-71.70000113.3T321 Y507T321-S509 WeakPolarHBondContact CG2-O 3.16Å; Y507-S509 PolarHBondContact O-N 2.9Å; Y507-S509 PolarHBondContact O-OG 2.76Å
510T37.1Very low29.8Very low43 Ų43113.6 Ų113.626%0.26462%0.622SS.*  trans-134.4120.3160.8560000108.8Y320 S508 F512Y320-T510 HydrophobicContact CD1-CG2 4.14Å; Y320-T510 HydrophobicContact CD2-CG2 3.94Å; Y320-T510 HydrophobicContact CE1-CG2 4.4Å; Y320-T510 HydrophobicContact CE2-CG2 4.22Å; Y320-T510 HydrophobicContact CG-CG2 3.89Å; S508-T510 VanDerWaalsContact C-N 3.32Å; S508-T510 PolarHBondContact O-N 3.29Å; T510-F512 PolarHBondContact O-N 2.68Å
511L43.2Very low30.1Very low43 Ų43110 Ų11023%0.22561%0.608CS.*SBendtrans-56-25.3179.6-104.4165.7000113.5H526 N631 F632L511-H526 PolarHBondContact O-CE1 3.14Å; L511-H526 PolarHBondContact O-ND1 3.03Å; L511-N631 HydrophobicContact CD1-CB 3.82Å; L511-F632 HydrophobicContact CD1-CB 4.44Å
512F43.9Very low30.7Very low23 Ų23104.1 Ų104.110%0.10159%0.587CS.*SBendtrans-140.5127169.9-51.6-92.5000107.3R421 L425 M428 T510 H526R421-F512 PolarHBondContact NH1-O 2.7Å; R421-F512 PolarHBondContact NH2-O 3.1Å; L425-F512 HydrophobicContact CD2-CD2 4.16Å; L425-F512 HydrophobicContact CD2-CE2 3.38Å; L425-F512 HydrophobicContact CD2-CZ 3.7Å; M428-F512 HydrophobicContact CE-CE1 4.27Å; M428-F512 HydrophobicContact CE-CZ 4.33Å; M428-F512 HydrophobicContact SD-CZ 4.38Å; T510-F512 PolarHBondContact O-N 2.68Å; F512-H526 HydrophobicContact CE1-CB 4.27Å
513P32.7Very low31.4Very low80 Ų80101.7 Ų101.752%0.51958%0.578SS.*  trans-59.9155.3-17823.2-32.5000112.4R421R421-P513 PolarHBondContact NH1-O 3.22Å
514S34.7Very low32.1Very low70 Ų70100.9 Ų100.949%0.4957%0.565SS.*SBendtrans-101.916.7-172.675.90000114.7
515K32.8Very low32.9Very low176 Ų176102.1 Ų102.177%0.76556%0.562SS**SBendtrans-117.3137.4176.2-67-177.1177.5-1790108.8P517K515-P517 WeakPolarHBondContact O-CD 3.29Å
516L30Very low34.1Very low159 Ų15999.7 Ų99.783%0.83254%0.539SS*.  trans-64.4120.7151-75.874.4000105.6
517P27.6Very low35.1Very low95 Ų9598 Ų9862%0.61753%0.525SS*.  -123.5156.2100.136.8-33.5000112.7K515 N519K515-P517 WeakPolarHBondContact O-CD 3.29Å; P517-N519 PolarHBondContact O-N 3.13Å
518Y29.9Very low36Very low181 Ų18191.5 Ų91.571%0.7151%0.508SS*.  trans-67.9108.7168.2-165.8-76.4000108.2P1502Y518-P1502 WeakPolarHBondContact OH-CG 3.28Å
519N28.5Very low37.7Very low126 Ų12689 Ų8967%0.67449%0.491SS*.  trans-151118-179.3-112.73.6000110.1P517 G521P517-N519 PolarHBondContact O-N 3.13Å; N519-G521 PolarHBondContact O-N 2.86Å
520D29.7Very low39.2Very low103 Ų10386.7 Ų86.755%0.55147%0.474SS*.THydrogen-bonded Turntrans-96.426.6-145-143.811.8000115.2C1504D520-C1504 VanDerWaalsContact CG-SG 3.52Å; D520-C1504 WeakPolarHBondContact OD1-CB 3.49Å; D520-C1504 PolarHBondContact OD1-SG 3.22Å; D520-C1504 PolarHBondContact OD2-SG 3.11Å
521G30.5Very low40.4Very low47 Ų4791.1 Ų91.149%0.48549%0.486SS..THydrogen-bonded Turntrans-148.822.5-166.200000116N519N519-G521 PolarHBondContact O-N 2.86Å
522V38Very low41.5Very low70 Ų7093.7 Ų93.742%0.42450%0.5SS..SBendtrans-112-31.2-180178.70000112.4H526V522-H526 PolarHBondContact O-CD2 2.79Å
523D38.7Very low42.7Very low113 Ų11393 Ų9360%0.60450%0.499SS*.Hα-helixtrans-71.7-34.5-169.6-69-44.7000114.1I525 H526 L527D523-I525 PolarHBondContact O-N 2.98Å; D523-H526 PolarHBondContact O-N 3.09Å; D523-L527 WeakPolarHBondContact O-CB 3.16Å; D523-L527 PolarHBondContact O-N 2.98Å
524D38.5Very low44.4Very low90 Ų9089.8 Ų89.848%0.48148%0.477SS..Hα-helixtrans-62.3-39.5179.3-85.9-39.8000112.9H526 L527 V528D524-H526 VanDerWaalsContact C-N 3.29Å; D524-H526 PolarHBondContact O-N 3.18Å; D524-L527 PolarHBondContact O-N 3.3Å; D524-V528 WeakPolarHBondContact O-CG2 3.48Å; D524-V528 PolarHBondContact O-N 2.79Å
525I42.6Very low46.1Very low129 Ų12988.5 Ų88.566%0.66247%0.465SS*.Hα-helixtrans-63.5-39178.1-60.8176.8000110.4D523 S529D523-I525 PolarHBondContact O-N 2.98Å; I525-S529 PolarHBondContact O-N 2.82Å
526H50.4Low47.6Very low54 Ų5482.6 Ų82.625%0.2544%0.444CS..Hα-helixtrans-71.7-38.4174.7-73.5-70.6000112.2L511 F512 V522 D523 D524 S529 V530L511-H526 PolarHBondContact O-CE1 3.14Å; L511-H526 PolarHBondContact O-ND1 3.03Å; F512-H526 HydrophobicContact CE1-CB 4.27Å; V522-H526 PolarHBondContact O-CD2 2.79Å; D523-H526 PolarHBondContact O-N 3.09Å; D524-H526 VanDerWaalsContact C-N 3.29Å; D524-H526 PolarHBondContact O-N 3.18Å; H526-S529 PolarHBondContact O-N 2.84Å; H526-V530 WeakPolarHBondContact O-CG2 3.48Å; H526-V530 PolarHBondContact O-N 2.9Å
527L45.5Very low49.5Very low84 Ų8476.2 Ų76.244%0.4442%0.417SS..Hα-helixtrans-66.3-41179.2-16574.1000112.2M428 D523 D524 V530 R531M428-L527 HydrophobicContact CE-CD1 4.03Å; M428-L527 HydrophobicContact CG-CD1 4.33Å; D523-L527 WeakPolarHBondContact O-CB 3.16Å; D523-L527 PolarHBondContact O-N 2.98Å; D524-L527 PolarHBondContact O-N 3.3Å; L527-V530 PolarHBondContact O-N 2.99Å; L527-R531 PolarHBondContact O-N 3.27Å
528V48.5Very low51.8Low81 Ų8174.8 Ų74.849%0.49140%0.4SS..Hα-helixtrans-60.9-48172.5171.50000110.2D524 V530 R531 D532D524-V528 WeakPolarHBondContact O-CG2 3.48Å; D524-V528 PolarHBondContact O-N 2.79Å; V528-V530 VanDerWaalsContact C-N 3.27Å; V528-V530 PolarHBondContact O-N 3.26Å; V528-R531 PolarHBondContact O-N 3.04Å; V528-R531 VanDerWaalsContact O-N 3.13Å; V528-D532 WeakPolarHBondContact O-CB 3.31Å; V528-D532 PolarHBondContact O-N 2.78Å
529S61.1Low54.2Low52 Ų5266.4 Ų66.436%0.36437%0.367SS..Hα-helixtrans-58-37176.1175.80000113I525 H526 A533I525-S529 PolarHBondContact O-N 2.82Å; H526-S529 PolarHBondContact O-N 2.84Å; S529-A533 WeakPolarHBondContact O-CB 3.33Å; S529-A533 PolarHBondContact O-N 3.46Å; S529-A533 VanDerWaalsContact O-N 3.11Å
530V60.3Low56.5Low2 Ų262.8 Ų62.81%0.01235%0.351CS..Hα-helixtrans-67.6-46.1175.6176.40000111.1M428 H526 L527 V528 A533 L534 W628M428-V530 HydrophobicContact CB-CG1 4.12Å; M428-V530 HydrophobicContact SD-CG1 4.37Å; M428-V530 HydrophobicContact SD-CG2 4.17Å; H526-V530 WeakPolarHBondContact O-CG2 3.48Å; H526-V530 PolarHBondContact O-N 2.9Å; L527-V530 PolarHBondContact O-N 2.99Å; V528-V530 VanDerWaalsContact C-N 3.27Å; V528-V530 PolarHBondContact O-N 3.26Å; V530-A533 PolarHBondContact O-N 2.9Å; V530-L534 HydrophobicContact CG1-CD1 3.83Å; V530-L534 WeakPolarHBondContact O-CB 3.07Å; V530-L534 VanDerWaalsContact O-CG 3.31Å; V530-L534 WeakPolarHBondContact O-CG 3.47Å; V530-L534 PolarHBondContact O-N 3.44Å; V530-L534 VanDerWaalsContact O-N 3.12Å; V530-W628 HydrophobicContact CB-CZ2 4.02Å; V530-W628 HydrophobicContact CG1-CH2 4.15Å; V530-W628 HydrophobicContact CG1-CZ2 3.98Å; V530-W628 HydrophobicContact CG2-CZ2 3.77Å
531R62.2Low58.9Low135 Ų13563.2 Ų63.251%0.50935%0.35SS..Hα-helixtrans-64.2-48.4-179.3-171.1176.1-178.3177.9-2.3111.2L527 V528 A533 L534 D535L527-R531 PolarHBondContact O-N 3.27Å; V528-R531 PolarHBondContact O-N 3.04Å; V528-R531 VanDerWaalsContact O-N 3.13Å; R531-A533 VanDerWaalsContact C-N 3.32Å; R531-A533 PolarHBondContact O-N 3.47Å; R531-L534 PolarHBondContact O-N 3.15Å; R531-D535 PolarHBondContact O-N 3.05Å
532D65.3Low61.2Low98 Ų9862.7 Ų62.752%0.52433%0.334SS..Hα-helixtrans-62.4-39178.7-72.4-5.1000111.9V528 L534 R625V528-D532 WeakPolarHBondContact O-CB 3.31Å; V528-D532 PolarHBondContact O-N 2.78Å; D532-L534 VanDerWaalsContact C-N 3.33Å; D532-L534 PolarHBondContact O-N 3.01Å; D532-R625 VanDerWaalsContact O-CZ 3.29Å; D532-R625 PolarHBondContact O-NH1 2.92Å; D532-R625 PolarHBondContact O-NH2 3.24Å
533A68.3Low63.4Low9 Ų960.5 Ų60.57%0.07432%0.319CS..Hα-helixtrans-68.5-28.6177.700000113.5W148 S529 V530 R531 R625 W628W148-A533 WeakPolarHBondContact CZ2-O 3.28Å; S529-A533 WeakPolarHBondContact O-CB 3.33Å; S529-A533 PolarHBondContact O-N 3.46Å; S529-A533 VanDerWaalsContact O-N 3.11Å; V530-A533 PolarHBondContact O-N 2.9Å; R531-A533 VanDerWaalsContact C-N 3.32Å; R531-A533 PolarHBondContact O-N 3.47Å; A533-R625 PolarHBondContact O-NH1 2.99Å; A533-W628 HydrophobicContact CB-CD2 3.78Å; A533-W628 HydrophobicContact CB-CE3 3.86Å; A533-W628 HydrophobicContact CB-CG 4.25Å; A533-W628 HydrophobicContact CB-CZ2 4.42Å; A533-W628 HydrophobicContact CB-CZ3 4.25Å
534L68.3Low65.5Low11 Ų1158 Ų586%0.05831%0.311CS..Hα-helixtrans-98.4-14.3-177.8-65.9177.1000114.4L152 L155 C432 V530 R531 D532 P536 W628L152-L534 HydrophobicContact CD2-CD2 3.49Å; L152-L534 VanDerWaalsContact CD2-CD2 3.49Å; L155-L534 HydrophobicContact CD2-CD2 4.18Å; C432-L534 HydrophobicContact CB-CB 3.68Å; C432-L534 HydrophobicContact CB-CD1 3.6Å; C432-L534 HydrophobicContact CB-CG 4.29Å; V530-L534 HydrophobicContact CG1-CD1 3.83Å; V530-L534 WeakPolarHBondContact O-CB 3.07Å; V530-L534 VanDerWaalsContact O-CG 3.31Å; V530-L534 WeakPolarHBondContact O-CG 3.47Å; V530-L534 PolarHBondContact O-N 3.44Å; V530-L534 VanDerWaalsContact O-N 3.12Å; R531-L534 PolarHBondContact O-N 3.15Å; D532-L534 VanDerWaalsContact C-N 3.33Å; D532-L534 PolarHBondContact O-N 3.01Å; L534-P536 VanDerWaalsContact O-CD 3.32Å; L534-P536 WeakPolarHBondContact O-CD 3.29Å; L534-W628 HydrophobicContact CD1-CH2 4.18Å; L534-W628 HydrophobicContact CD2-CH2 4.18Å; L534-W628 HydrophobicContact CD2-CZ3 3.87Å; L534-W628 HydrophobicContact CG-CH2 4.06Å; L534-W628 HydrophobicContact CG-CZ3 4.16Å
535D70.3Confident67.9Low43 Ų4359.4 Ų59.423%0.2331%0.314CS..  trans-58.6122.6-176.8175.246.9000114.6N436 R531 G537 Y538N436-D535 PolarHBondContact ND2-OD1 3.33Å; R531-D535 PolarHBondContact O-N 3.05Å; D535-G537 PolarHBondContact OD1-N 2.74Å; D535-G537 WeakPolarHBondContact OD2-CA 3.3Å; D535-G537 PolarHBondContact OD2-N 2.86Å; D535-G537 VanDerWaalsContact OD2-N 3.17Å; D535-Y538 PolarHBondContact OD2-N 3.04Å
536P66Low70.2Confident52 Ų5253.4 Ų53.434%0.33828%0.284SS..SBendtrans-78.2-17.2169.6-14.931.4000114.7L534 F539 S540L534-P536 VanDerWaalsContact O-CD 3.32Å; L534-P536 WeakPolarHBondContact O-CD 3.29Å; P536-F539 PolarHBondContact O-N 3.01Å; P536-S540 PolarHBondContact O-N 2.87Å; P536-S540 PolarHBondContact O-OG 2.94Å
537G69.4Low72.2Confident25 Ų2552 Ų5226%0.25828%0.278SS..Hα-helixtrans-62.1-47.1-176.600000112.5D535 F539 S540 Q541D535-G537 PolarHBondContact OD1-N 2.74Å; D535-G537 WeakPolarHBondContact OD2-CA 3.3Å; D535-G537 PolarHBondContact OD2-N 2.86Å; D535-G537 VanDerWaalsContact OD2-N 3.17Å; G537-F539 VanDerWaalsContact C-N 3.29Å; G537-F539 PolarHBondContact O-N 2.83Å; G537-S540 WeakPolarHBondContact O-CB 3.34Å; G537-S540 PolarHBondContact O-N 2.7Å; G537-Q541 PolarHBondContact O-N 3.12Å
538Y75Confident74.5Confident66 Ų6651.7 Ų51.726%0.25928%0.281SS..Hα-helixtrans-46.8-47.4175.8179.2-97.5000113.4D535 R542 N621D535-Y538 PolarHBondContact OD2-N 3.04Å; Y538-R542 PolarHBondContact O-N 3.45Å; Y538-R542 PolarHBondContact OH-NH2 3.45Å; Y538-N621 VanDerWaalsContact CE1-OD1 3.24Å; Y538-N621 WeakPolarHBondContact CE1-OD1 3.5Å
539F81.7Confident76.7Confident4 Ų449.2 Ų49.22%0.01827%0.265CS..Hα-helixtrans-73.9-35.9-179.6-59.3-70.8000112.5I145 W148 P536 G537 R542 L543 L618 L622I145-F539 HydrophobicContact CD1-CB 4.03Å; I145-F539 HydrophobicContact CD1-CD1 4.23Å; I145-F539 HydrophobicContact CG1-CB 4.07Å; I145-F539 HydrophobicContact CG1-CD1 3.77Å; I145-F539 HydrophobicContact CG1-CG 4.21Å; I145-F539 HydrophobicContact CG2-CB 3.73Å; I145-F539 HydrophobicContact CG2-CG 4.22Å; W148-F539 AromaticContact CD1-CE2 3.35Å; W148-F539 AromaticContact CD1-CZ 3.65Å; W148-F539 HydrophobicContact CG-CE2 4.35Å; W148-F539 HydrophobicContact CG-CZ 4.27Å; W148-F539 AromaticContact NE1-CE2 3.55Å; W148-F539 AromaticContact NE1-CZ 3.92Å; P536-F539 PolarHBondContact O-N 3.01Å; G537-F539 VanDerWaalsContact C-N 3.29Å; G537-F539 PolarHBondContact O-N 2.83Å; F539-R542 PolarHBondContact O-N 3.19Å; F539-L543 WeakPolarHBondContact O-CG 3.29Å; F539-L543 PolarHBondContact O-N 2.85Å; F539-L618 HydrophobicContact CD1-CD1 3.8Å; F539-L618 HydrophobicContact CE1-CD1 3.73Å; F539-L622 HydrophobicContact CE1-CD2 3.56Å; F539-L622 HydrophobicContact CE1-CG 4.25Å; F539-L622 HydrophobicContact CZ-CD2 3.59Å
540S77Confident78.3Confident50 Ų5047 Ų4735%0.3525%0.249SC..Hα-helixtrans-64.3-41.2177.3-54.20000111.3P536 G537 L543 S544P536-S540 PolarHBondContact O-N 2.87Å; P536-S540 PolarHBondContact O-OG 2.94Å; G537-S540 WeakPolarHBondContact O-CB 3.34Å; G537-S540 PolarHBondContact O-N 2.7Å; S540-L543 PolarHBondContact O-N 3.39Å; S540-S544 PolarHBondContact O-N 3.24Å
541Q79.6Confident80Confident113 Ų11349.9 Ų49.953%0.52827%0.269SS..Hα-helixtrans-67.8-37.1175.3-167.8-175.924.800112.6G537 S544 Q545G537-Q541 PolarHBondContact O-N 3.12Å; Q541-S544 PolarHBondContact O-OG 2.93Å; Q541-S544 VanDerWaalsContact O-OG 3.1Å; Q541-Q545 WeakPolarHBondContact O-CG 3.43Å
542R79Confident81.6Confident36 Ų3646.7 Ų46.714%0.13626%0.259CS..Hα-helixtrans-64.2-42.5173.7-179.2179.1-66.9-88.9-3.6111.8Y538 F539 Q545 S614Y538-R542 PolarHBondContact O-N 3.45Å; Y538-R542 PolarHBondContact OH-NH2 3.45Å; F539-R542 PolarHBondContact O-N 3.19Å; R542-Q545 PolarHBondContact O-N 3.2Å; R542-S614 PolarHBondContact NH1-O 2.74Å; R542-S614 PolarHBondContact NH1-OG 3.14Å
543L82.9Confident83.1Confident23 Ų2342 Ų4212%0.1224%0.235CC..Hα-helixtrans-63.4-44.8-179.2-77.3172000112.5R142 I145 F539 S540 Q545 L546 D547R142-L543 HydrophobicContact CG-CD2 3.48Å; R142-L543 VanDerWaalsContact CG-CD2 3.48Å; I145-L543 HydrophobicContact CD1-CD1 3.84Å; I145-L543 HydrophobicContact CD1-CD2 3.85Å; I145-L543 HydrophobicContact CD1-CG 3.62Å; I145-L543 HydrophobicContact CG2-CD1 4.29Å; F539-L543 WeakPolarHBondContact O-CG 3.29Å; F539-L543 PolarHBondContact O-N 2.85Å; S540-L543 PolarHBondContact O-N 3.39Å; L543-Q545 PolarHBondContact O-N 2.83Å; L543-Q545 VanDerWaalsContact O-N 3.14Å; L543-L546 PolarHBondContact O-N 2.67Å; L543-D547 PolarHBondContact O-N 3.09Å
544S84.3Confident84.5Confident62 Ų6242.5 Ų42.543%0.43424%0.237SC..Hα-helixtrans-64.9-17.7-179.963.60000114.2S540 Q541 P548S540-S544 PolarHBondContact O-N 3.24Å; Q541-S544 PolarHBondContact O-OG 2.93Å; Q541-S544 VanDerWaalsContact O-OG 3.1Å; S544-P548 WeakPolarHBondContact O-CD 3.46Å
545Q88.1Confident85.8Confident118 Ų11843.3 Ų43.355%0.55125%0.247SC*.Hα-helixtrans-81.4-22.8172-66.2171.810.800113.1Q541 R542 L543Q541-Q545 WeakPolarHBondContact O-CG 3.43Å; R542-Q545 PolarHBondContact O-N 3.2Å; L543-Q545 PolarHBondContact O-N 2.83Å; L543-Q545 VanDerWaalsContact O-N 3.14Å
546L91.9Very high87.1Confident4 Ų442.5 Ų42.52%0.02124%0.243CC..Hα-helixtrans-87-29.6179.9-64.1172.6000112.8V138 Q141 L543 L549 L550 V611V138-L546 HydrophobicContact CG1-CB 4.32Å; V138-L546 HydrophobicContact CG2-CB 4.23Å; Q141-L546 HydrophobicContact CB-CD1 4.37Å; L543-L546 PolarHBondContact O-N 2.67Å; L546-L549 PolarHBondContact O-N 3.27Å; L546-L550 PolarHBondContact O-N 3.04Å; L546-V611 HydrophobicContact CD2-CG2 4.16Å
547D91.1Very high88.6Confident23 Ų2340.4 Ų40.412%0.12323%0.23CC..Hα-helixtrans-58.1-46.8179.8-84.7-63.4000113.8R142 L543 L549 L550 C551 M1856R142-D547 IonicContact CZ-OD1 2.77Å; R142-D547 IonicContact CZ-OD2 3.71Å; R142-D547 IonicContact NH1-OD1 2.63Å; R142-D547 IonicContact NH1-OD2 3.84Å; R142-D547 PolarHBondContact NH1-OD2 3.12Å; R142-D547 IonicContact NH2-OD1 2.73Å; R142-D547 PolarHBondContact NH2-OD1 3.5Å; R142-D547 IonicContact NH2-OD2 3.47Å; R142-D547 PolarHBondContact NH2-OD2 3.49Å; L543-D547 PolarHBondContact O-N 3.09Å; D547-L549 PolarHBondContact O-N 3.49Å; D547-L550 PolarHBondContact O-N 3.44Å; D547-C551 PolarHBondContact O-N 2.92Å; D547-C551 PolarHBondContact O-SG 3.45Å; D547-M1856 VanDerWaalsContact OD2-CE 3.25Å; D547-M1856 WeakPolarHBondContact OD2-CE 3.17Å
548P94Very high89.9Confident79 Ų7946.7 Ų46.751%0.51325%0.246SC..Hα-helixtrans-62.1-40175.1-23.334.2000113.1S544 C551 E552S544-P548 WeakPolarHBondContact O-CD 3.46Å; P548-C551 PolarHBondContact O-N 3.39Å; P548-E552 WeakPolarHBondContact O-CB 3.1Å; P548-E552 PolarHBondContact O-N 2.99Å
549L94.7Very high90.9Very high28 Ų2847.9 Ų47.915%0.14725%0.252CS..Hα-helixtrans-66.5-39.3179.8-66.9175.9000111.8L546 D547 E552 A553 I607 I610L546-L549 PolarHBondContact O-N 3.27Å; D547-L549 PolarHBondContact O-N 3.49Å; L549-E552 PolarHBondContact O-N 3.19Å; L549-A553 WeakPolarHBondContact O-CB 3.36Å; L549-A553 PolarHBondContact O-N 3.3Å; L549-I607 HydrophobicContact CB-CG2 3.99Å; L549-I607 HydrophobicContact CD2-CG1 4.38Å; L549-I610 HydrophobicContact CD1-CG2 3.79Å
550L95.1Very high91.5Very high7 Ų747.7 Ų47.74%0.03725%0.252CS..Hα-helixtrans-65.6-42.2173.1178.756.8000111.4I134 E135 V138 L546 D547 E552 A553 V554 L1852I134-L550 HydrophobicContact CG2-CD1 4.03Å; E135-L550 HydrophobicContact CB-CD1 3.85Å; E135-L550 HydrophobicContact CG-CD1 4.22Å; V138-L550 HydrophobicContact CB-CD2 4.21Å; V138-L550 HydrophobicContact CG1-CD2 3.92Å; V138-L550 HydrophobicContact CG2-CB 4.49Å; L546-L550 PolarHBondContact O-N 3.04Å; D547-L550 PolarHBondContact O-N 3.44Å; L550-E552 VanDerWaalsContact C-N 3.35Å; L550-E552 PolarHBondContact O-N 3.43Å; L550-A553 PolarHBondContact O-N 3.11Å; L550-V554 HydrophobicContact CD1-CG2 4.03Å; L550-V554 WeakPolarHBondContact O-CG2 3.44Å; L550-V554 PolarHBondContact O-N 3.46Å; L550-V554 VanDerWaalsContact O-N 3.07Å; L550-L1852 HydrophobicContact CD2-CD2 3.65Å; L550-L1852 HydrophobicContact CG-CD2 4.01Å
551C95.5Very high92.5Very high62 Ų6246.5 Ų46.542%0.41924%0.241SC..Hα-helixtrans-62.2-41.9175.4-66.80000112.1D547 P548 G555D547-C551 PolarHBondContact O-N 2.92Å; D547-C551 PolarHBondContact O-SG 3.45Å; P548-C551 PolarHBondContact O-N 3.39Å; C551-G555 PolarHBondContact O-N 3.38Å
552E96.9Very high93.2Very high67 Ų6742.4 Ų42.431%0.31323%0.229SC..Hα-helixtrans-62.4-51.3174.8-168.3-175.617200110.9P548 L549 L550 V554 G555 L556 R603 I607P548-E552 WeakPolarHBondContact O-CB 3.1Å; P548-E552 PolarHBondContact O-N 2.99Å; L549-E552 PolarHBondContact O-N 3.19Å; L550-E552 VanDerWaalsContact C-N 3.35Å; L550-E552 PolarHBondContact O-N 3.43Å; E552-V554 PolarHBondContact O-N 3.25Å; E552-G555 CarbonylContact O-C 3.49Å; E552-G555 WeakPolarHBondContact O-CA 3.33Å; E552-G555 PolarHBondContact O-N 3.13Å; E552-L556 HydrophobicContact CG-CD1 4.05Å; E552-L556 HydrophobicContact CG-CG 4.33Å; E552-L556 WeakPolarHBondContact O-CG 3.34Å; E552-L556 PolarHBondContact O-N 3.33Å; E552-R603 WeakPolarHBondContact OE1-CG 3.48Å; E552-R603 IonicContact OE1-CZ 2.64Å; E552-R603 IonicContact OE1-NE 3.57Å; E552-R603 PolarHBondContact OE1-NE 3.39Å; E552-R603 IonicContact OE1-NH2 2.79Å; E552-R603 PolarHBondContact OE1-NH2 2.86Å; E552-R603 IonicContact OE2-CZ 3.79Å; E552-R603 IonicContact OE2-NE 2.66Å; E552-R603 IonicContact OE2-NH2 2.64Å; E552-R603 PolarHBondContact OE2-NH2 3.02Å; E552-I607 HydrophobicContact CB-CD1 4.1Å; E552-I607 HydrophobicContact CG-CD1 3.89Å
553A96.9Very high94Very high0 Ų041 Ų410%023%0.225CC..Hα-helixtrans-55.9-48.1-179.300000113.2I134 L549 L550 G555 L556 A557 L604 I607I134-A553 HydrophobicContact CB-CB 4.34Å; I134-A553 HydrophobicContact CD1-CB 3.7Å; I134-A553 HydrophobicContact CG2-CB 3.91Å; L549-A553 WeakPolarHBondContact O-CB 3.36Å; L549-A553 PolarHBondContact O-N 3.3Å; L550-A553 PolarHBondContact O-N 3.11Å; A553-G555 VanDerWaalsContact C-N 3.29Å; A553-G555 PolarHBondContact O-N 3.07Å; A553-L556 PolarHBondContact O-N 3.34Å; A553-A557 PolarHBondContact O-N 3.34Å; A553-L604 HydrophobicContact CB-CD1 3.53Å; A553-I607 HydrophobicContact CB-CD1 4.46Å; A553-I607 HydrophobicContact CB-CG2 4.28Å
554V96.3Very high94.6Very high20 Ų2042.1 Ų42.112%0.12123%0.229CC..Hα-helixtrans-68.7-30.5177.8-177.30000111.1L550 E552 R558L550-V554 HydrophobicContact CD1-CG2 4.03Å; L550-V554 WeakPolarHBondContact O-CG2 3.44Å; L550-V554 PolarHBondContact O-N 3.46Å; L550-V554 VanDerWaalsContact O-N 3.07Å; E552-V554 PolarHBondContact O-N 3.25Å; V554-R558 WeakPolarHBondContact O-CB 3.49Å; V554-R558 WeakPolarHBondContact O-CG 3.09Å; V554-R558 PolarHBondContact O-N 3.33Å; V554-R558 VanDerWaalsContact O-N 3.12Å; V554-R558 PolarHBondContact O-NE 3.05Å
555G96.6Very high95.1Very high27 Ų2743.5 Ų43.528%0.27823%0.228SC..Hα-helixtrans-65.3-45.917100000113.2C551 E552 A553 R558 K559C551-G555 PolarHBondContact O-N 3.38Å; E552-G555 CarbonylContact O-C 3.49Å; E552-G555 WeakPolarHBondContact O-CA 3.33Å; E552-G555 PolarHBondContact O-N 3.13Å; A553-G555 VanDerWaalsContact C-N 3.29Å; A553-G555 PolarHBondContact O-N 3.07Å; G555-R558 PolarHBondContact O-N 2.85Å; G555-K559 PolarHBondContact O-N 3.02Å
556L97.4Very high95.4Very high27 Ų2741.3 Ų41.314%0.14122%0.221CC..Hα-helixtrans-63.6-45.4178-67.5171.3000111.6E552 A553 R558 K559 M560 A600 R603 L604 I607E552-L556 HydrophobicContact CG-CD1 4.05Å; E552-L556 HydrophobicContact CG-CG 4.33Å; E552-L556 WeakPolarHBondContact O-CG 3.34Å; E552-L556 PolarHBondContact O-N 3.33Å; A553-L556 PolarHBondContact O-N 3.34Å; L556-R558 PolarHBondContact O-N 2.91Å; L556-K559 WeakPolarHBondContact O-CA 3.37Å; L556-K559 WeakPolarHBondContact O-CB 3.25Å; L556-K559 PolarHBondContact O-N 3.5Å; L556-K559 VanDerWaalsContact O-N 3.08Å; L556-M560 WeakPolarHBondContact O-CG 3.37Å; L556-M560 PolarHBondContact O-N 3.18Å; L556-A600 HydrophobicContact CD2-CB 3.96Å; L556-R603 HydrophobicContact CD1-CB 4Å; L556-R603 HydrophobicContact CD1-CG 3.62Å; L556-L604 HydrophobicContact CD1-CB 4.4Å; L556-I607 HydrophobicContact CD1-CD1 3.84Å
557A96.4Very high95.4Very high8 Ų841.2 Ų41.27%0.06622%0.22CC..Hα-helixtrans-60.9-42.3174.600000112.1A131 A553 K559 M560 I561A131-A557 HydrophobicContact CB-CB 3.6Å; A553-A557 PolarHBondContact O-N 3.34Å; A557-K559 VanDerWaalsContact C-N 3.31Å; A557-K559 PolarHBondContact O-N 3.01Å; A557-M560 PolarHBondContact O-N 3.13Å; A557-I561 WeakPolarHBondContact O-CD1 3.41Å; A557-I561 VanDerWaalsContact O-CG1 3.26Å; A557-I561 WeakPolarHBondContact O-CG1 3.4Å; A557-I561 PolarHBondContact O-N 2.73Å; A557-I561 VanDerWaalsContact O-N 3.1Å
558R96.7Very high95.5Very high157 Ų15742 Ų4259%0.59223%0.226SC*.Hα-helixtrans-60.2-38.1172.1-81.7-174.2-98.6126.4-6.2112.4V554 G555 L556 I561 G562V554-R558 WeakPolarHBondContact O-CB 3.49Å; V554-R558 WeakPolarHBondContact O-CG 3.09Å; V554-R558 PolarHBondContact O-N 3.33Å; V554-R558 VanDerWaalsContact O-N 3.12Å; V554-R558 PolarHBondContact O-NE 3.05Å; G555-R558 PolarHBondContact O-N 2.85Å; L556-R558 PolarHBondContact O-N 2.91Å; R558-I561 PolarHBondContact O-N 2.71Å; R558-G562 PolarHBondContact O-N 2.97Å
559K96.1Very high95.4Very high90 Ų9043.2 Ų43.239%0.39122%0.223SC..Hα-helixtrans-64.7-44.9175.4-171.3178.1-179.4178.80112.2G555 L556 A557 I561 G562 I563 E596G555-K559 PolarHBondContact O-N 3.02Å; L556-K559 WeakPolarHBondContact O-CA 3.37Å; L556-K559 WeakPolarHBondContact O-CB 3.25Å; L556-K559 PolarHBondContact O-N 3.5Å; L556-K559 VanDerWaalsContact O-N 3.08Å; A557-K559 VanDerWaalsContact C-N 3.31Å; A557-K559 PolarHBondContact O-N 3.01Å; K559-I561 VanDerWaalsContact C-N 3.35Å; K559-I561 PolarHBondContact O-N 2.72Å; K559-G562 PolarHBondContact O-N 3.33Å; K559-I563 HydrophobicContact CG-CD1 4.05Å; K559-I563 WeakPolarHBondContact O-CG1 3.48Å; K559-I563 PolarHBondContact O-N 3.29Å; K559-E596 WeakPolarHBondContact CE-OE2 3.44Å; K559-E596 IonicContact NZ-OE2 2.68Å; K559-E596 PolarHBondContact NZ-OE2 2.71Å
560M96.2Very high95.2Very high1 Ų142.1 Ų42.11%0.00522%0.218CC..Hα-helixtrans-59-44.9176.5-66.3-179.864.900111.7L123 T124 L556 A557 G562 I563 E564 L597 A600 F601L123-M560 HydrophobicContact CG-CE 4.21Å; T124-M560 HydrophobicContact CG2-CB 4.22Å; L556-M560 WeakPolarHBondContact O-CG 3.37Å; L556-M560 PolarHBondContact O-N 3.18Å; A557-M560 PolarHBondContact O-N 3.13Å; M560-G562 VanDerWaalsContact C-N 3.33Å; M560-G562 PolarHBondContact O-N 2.96Å; M560-I563 PolarHBondContact O-N 3.02Å; M560-I563 VanDerWaalsContact O-N 3.15Å; M560-E564 PolarHBondContact O-N 3.12Å; M560-L597 HydrophobicContact CB-CD1 4.32Å; M560-L597 HydrophobicContact CE-CD2 4.18Å; M560-L597 HydrophobicContact CE-CG 4.11Å; M560-L597 HydrophobicContact CG-CD1 4.5Å; M560-L597 HydrophobicContact CG-CG 4.23Å; M560-A600 HydrophobicContact CG-CB 4.06Å; M560-F601 HydrophobicContact CE-CB 3.95Å; M560-F601 HydrophobicContact CE-CD2 3.84Å; M560-F601 HydrophobicContact CE-CG 4.32Å; M560-F601 HydrophobicContact SD-CB 4.13Å; M560-F601 HydrophobicContact SD-CD2 4.31Å
561I96.3Very high94.9Very high24 Ų2442.8 Ų42.812%0.12322%0.221CC..Hα-helixtrans-61.8-40176.4-63160.7000111.3T124 A557 R558 K559 E564 Q565T124-I561 HydrophobicContact CG2-CB 4.49Å; T124-I561 HydrophobicContact CG2-CG1 3.88Å; A557-I561 WeakPolarHBondContact O-CD1 3.41Å; A557-I561 VanDerWaalsContact O-CG1 3.26Å; A557-I561 WeakPolarHBondContact O-CG1 3.4Å; A557-I561 PolarHBondContact O-N 2.73Å; A557-I561 VanDerWaalsContact O-N 3.1Å; R558-I561 PolarHBondContact O-N 2.71Å; K559-I561 VanDerWaalsContact C-N 3.35Å; K559-I561 PolarHBondContact O-N 2.72Å; I561-E564 PolarHBondContact O-N 3.03Å; I561-Q565 WeakPolarHBondContact O-CG 3.29Å; I561-Q565 PolarHBondContact O-N 2.78Å; I561-Q565 VanDerWaalsContact O-N 3.08Å
562G95.9Very high94.7Very high27 Ų2743.1 Ų43.128%0.27822%0.216SC..Hα-helixtrans-61.3-41.9173.600000112.9R558 K559 M560 Q565 N566R558-G562 PolarHBondContact O-N 2.97Å; K559-G562 PolarHBondContact O-N 3.33Å; M560-G562 VanDerWaalsContact C-N 3.33Å; M560-G562 PolarHBondContact O-N 2.96Å; G562-Q565 PolarHBondContact O-N 3.23Å; G562-N566 WeakPolarHBondContact O-CB 3.2Å; G562-N566 PolarHBondContact O-N 3.2Å; G562-N566 PolarHBondContact O-ND2 3.26Å
563I95.1Very high94.2Very high8 Ų843.7 Ų43.74%0.04122%0.219CC..Hα-helixtrans-66.5-40.6177.7-71.7160.8000111.9K559 M560 N566 S567 N593 E596 L597K559-I563 HydrophobicContact CG-CD1 4.05Å; K559-I563 WeakPolarHBondContact O-CG1 3.48Å; K559-I563 PolarHBondContact O-N 3.29Å; M560-I563 PolarHBondContact O-N 3.02Å; M560-I563 VanDerWaalsContact O-N 3.15Å; I563-N566 PolarHBondContact O-N 2.85Å; I563-S567 VanDerWaalsContact O-CB 3.27Å; I563-S567 WeakPolarHBondContact O-CB 3.22Å; I563-S567 PolarHBondContact O-N 3.05Å; I563-S567 PolarHBondContact O-OG 3.36Å; I563-N593 HydrophobicContact CG1-CB 4.37Å; I563-N593 HydrophobicContact CG2-CB 3.97Å; I563-E596 HydrophobicContact CD1-CB 4.26Å; I563-L597 HydrophobicContact CB-CD1 4.08Å; I563-L597 HydrophobicContact CD1-CB 4.05Å; I563-L597 HydrophobicContact CG2-CB 4.09Å; I563-L597 HydrophobicContact CG2-CD1 3.62Å
564E95.2Very high93.7Very high45 Ų4544.2 Ų44.221%0.2122%0.221CC..Hα-helixtrans-60-47.7174.2-174.3-165.4-175.600111.6I120 R121 T124 M560 I561 T568I120-E564 HydrophobicContact CG2-CB 3.99Å; I120-E564 HydrophobicContact CG2-CG 4.2Å; R121-E564 HydrophobicContact CG-CG 4.15Å; T124-E564 HydrophobicContact CG2-CB 4.15Å; T124-E564 WeakPolarHBondContact CG2-OE2 3.33Å; M560-E564 PolarHBondContact O-N 3.12Å; I561-E564 PolarHBondContact O-N 3.03Å; E564-T568 WeakPolarHBondContact O-CB 3.27Å; E564-T568 PolarHBondContact O-N 3.36Å; E564-T568 PolarHBondContact O-OG1 3.5Å
565Q95.3Very high93.2Very high91 Ų9146.8 Ų46.843%0.42523%0.234SC..Hα-helixtrans-65-43.3178.8-71-17817.500112I561 G562 T568 K569I561-Q565 WeakPolarHBondContact O-CG 3.29Å; I561-Q565 PolarHBondContact O-N 2.78Å; I561-Q565 VanDerWaalsContact O-N 3.08Å; G562-Q565 PolarHBondContact O-N 3.23Å; Q565-T568 PolarHBondContact O-N 2.9Å; Q565-K569 WeakPolarHBondContact O-CD 3.38Å; Q565-K569 VanDerWaalsContact O-CG 3.25Å; Q565-K569 WeakPolarHBondContact O-CG 3.3Å; Q565-K569 PolarHBondContact O-N 3.45Å
566N92.9Very high92.6Very high73 Ų7350.9 Ų50.939%0.3925%0.245SC..Hα-helixtrans-67.4-42.8179.3-71.9-10.7000111.6G562 I563 T568 K569 A570G562-N566 WeakPolarHBondContact O-CB 3.2Å; G562-N566 PolarHBondContact O-N 3.2Å; G562-N566 PolarHBondContact O-ND2 3.26Å; I563-N566 PolarHBondContact O-N 2.85Å; N566-T568 VanDerWaalsContact C-N 3.34Å; N566-T568 PolarHBondContact O-N 2.93Å; N566-K569 PolarHBondContact O-N 3.24Å; N566-A570 WeakPolarHBondContact O-CB 3.43Å; N566-A570 PolarHBondContact O-N 2.82Å
567S92.3Very high91.8Very high1 Ų155.1 Ų55.11%0.00727%0.265CS..Hα-helixtrans-65.3-37.6176.4-57.10000111.9I563 A570 F571 N590I563-S567 VanDerWaalsContact O-CB 3.27Å; I563-S567 WeakPolarHBondContact O-CB 3.22Å; I563-S567 PolarHBondContact O-N 3.05Å; I563-S567 PolarHBondContact O-OG 3.36Å; S567-A570 PolarHBondContact O-N 2.81Å; S567-F571 WeakPolarHBondContact O-CB 3.42Å; S567-F571 PolarHBondContact O-N 3.25Å; S567-N590 PolarHBondContact OG-ND2 3.43Å
568T93.6Very high90.7Very high40 Ų4063.2 Ų63.225%0.24530%0.298CS..Hα-helixtrans-61.7-48172.6-67.30000111.8R121 E564 Q565 N566 F571 Q572R121-T568 VanDerWaalsContact NH2-CG2 3.32Å; R121-T568 PolarHBondContact NH2-OG1 3.24Å; E564-T568 WeakPolarHBondContact O-CB 3.27Å; E564-T568 PolarHBondContact O-N 3.36Å; E564-T568 PolarHBondContact O-OG1 3.5Å; Q565-T568 PolarHBondContact O-N 2.9Å; N566-T568 VanDerWaalsContact C-N 3.34Å; N566-T568 PolarHBondContact O-N 2.93Å; T568-F571 PolarHBondContact O-N 3.39Å; T568-Q572 PolarHBondContact O-N 3.41Å; T568-Q572 VanDerWaalsContact O-N 3.1Å
569K92Very high89.7Confident105 Ų10559 Ų5946%0.45729%0.29SS..Hα-helixtrans-62.6-42.6177.9-69.7163.1-170.6167.70111.8Q565 N566 Q572 Q573Q565-K569 WeakPolarHBondContact O-CD 3.38Å; Q565-K569 VanDerWaalsContact O-CG 3.25Å; Q565-K569 WeakPolarHBondContact O-CG 3.3Å; Q565-K569 PolarHBondContact O-N 3.45Å; N566-K569 PolarHBondContact O-N 3.24Å; K569-Q572 PolarHBondContact O-N 2.98Å; K569-Q573 WeakPolarHBondContact O-CG 3.43Å; K569-Q573 PolarHBondContact O-N 3.48Å
570A90.1Very high88.7Confident4 Ų461 Ų613%0.03331%0.305CS..Hα-helixtrans-63.7-43.8178.400000112.3F113 N566 S567 Q572 Q573 I574 K586F113-A570 HydrophobicContact CZ-CB 3.94Å; N566-A570 WeakPolarHBondContact O-CB 3.43Å; N566-A570 PolarHBondContact O-N 2.82Å; S567-A570 PolarHBondContact O-N 2.81Å; A570-Q572 PolarHBondContact O-N 3.22Å; A570-Q573 PolarHBondContact O-N 3.11Å; A570-I574 WeakPolarHBondContact O-CG1 3.11Å; A570-I574 PolarHBondContact O-N 2.83Å; A570-K586 HydrophobicContact CB-CB 4.47Å; A570-K586 HydrophobicContact CB-CD 4.1Å; A570-K586 HydrophobicContact CB-CG 4.37Å
571F90.1Very high88Confident22 Ų2264.9 Ų64.910%0.09633%0.332CS..Hα-helixtrans-61.8-42.4175.6-169.9-121.3000112.2E110 F113 E114 L117 S567 T568 Q573 I574 I575E110-F571 HydrophobicContact CG-CE2 4.27Å; F113-F571 HydrophobicContact CB-CD2 4.41Å; F113-F571 HydrophobicContact CD1-CB 4.02Å; F113-F571 AromaticContact CD1-CD2 3.56Å; F113-F571 HydrophobicContact CD1-CD2 3.56Å; F113-F571 HydrophobicContact CD1-CE2 4.39Å; F113-F571 HydrophobicContact CD1-CG 4.13Å; F113-F571 HydrophobicContact CE1-CB 3.75Å; F113-F571 HydrophobicContact CE1-CD2 4.17Å; F113-F571 HydrophobicContact CE1-CG 4.37Å; F113-F571 HydrophobicContact CG-CD2 4.2Å; E114-F571 HydrophobicContact CB-CE2 3.85Å; E114-F571 HydrophobicContact CB-CZ 3.62Å; E114-F571 HydrophobicContact CG-CE1 4.28Å; E114-F571 HydrophobicContact CG-CE2 4.44Å; E114-F571 HydrophobicContact CG-CZ 3.72Å; L117-F571 HydrophobicContact CD2-CB 3.64Å; L117-F571 HydrophobicContact CD2-CD1 3.62Å; L117-F571 HydrophobicContact CD2-CE1 4.41Å; L117-F571 HydrophobicContact CD2-CG 3.73Å; S567-F571 WeakPolarHBondContact O-CB 3.42Å; S567-F571 PolarHBondContact O-N 3.25Å; T568-F571 PolarHBondContact O-N 3.39Å; F571-Q573 VanDerWaalsContact C-N 3.32Å; F571-Q573 PolarHBondContact O-N 3.03Å; F571-I574 PolarHBondContact O-N 2.78Å; F571-I575 HydrophobicContact CD1-CD1 3.83Å; F571-I575 HydrophobicContact CE1-CD1 3.5Å; F571-I575 VanDerWaalsContact CE1-CD1 3.5Å; F571-I575 HydrophobicContact CE2-CD1 4.28Å; F571-I575 HydrophobicContact CG-CD1 4.37Å; F571-I575 HydrophobicContact CZ-CD1 3.74Å; F571-I575 HydrophobicContact CZ-CG1 4.5Å; F571-I575 PolarHBondContact O-N 3.24Å
572Q89.5Confident87.2Confident68 Ų6865.5 Ų65.532%0.31834%0.335SS..Hα-helixtrans-63.3-37.3176.6-165.6173.513.400112.3T568 K569 A570 Q576T568-Q572 PolarHBondContact O-N 3.41Å; T568-Q572 VanDerWaalsContact O-N 3.1Å; K569-Q572 PolarHBondContact O-N 2.98Å; A570-Q572 PolarHBondContact O-N 3.22Å; Q572-Q576 WeakPolarHBondContact O-CB 3.45Å; Q572-Q576 VanDerWaalsContact O-CG 3.28Å; Q572-Q576 WeakPolarHBondContact O-CG 3.44Å; Q572-Q576 PolarHBondContact O-N 2.94Å; Q572-Q576 VanDerWaalsContact O-N 3.08Å
573Q87.8Confident86.6Confident80 Ų8065.3 Ų65.337%0.37433%0.328SS..Hα-helixtrans-65.8-41.1173.4-72.3171.8-9.400112.6K569 A570 F571 Q576 Q577 L582K569-Q573 WeakPolarHBondContact O-CG 3.43Å; K569-Q573 PolarHBondContact O-N 3.48Å; A570-Q573 PolarHBondContact O-N 3.11Å; F571-Q573 VanDerWaalsContact C-N 3.32Å; F571-Q573 PolarHBondContact O-N 3.03Å; Q573-Q576 PolarHBondContact O-N 3.03Å; Q573-Q577 WeakPolarHBondContact O-CB 3.42Å; Q573-Q577 WeakPolarHBondContact O-CG 3.37Å; Q573-Q577 PolarHBondContact O-N 2.88Å; Q573-L582 HydrophobicContact CB-CD2 4.46Å
574I85.6Confident85.9Confident11 Ų1170.9 Ų70.96%0.05635%0.354CS..Hα-helixtrans-59.2-52176.4-70.6160.9000110.4F113 A570 F571 Q576 Q577 K578 L583 K586F113-I574 HydrophobicContact CD2-CD1 3.89Å; F113-I574 HydrophobicContact CE2-CD1 3.76Å; F113-I574 HydrophobicContact CG-CD1 4.42Å; F113-I574 HydrophobicContact CZ-CD1 4.22Å; A570-I574 WeakPolarHBondContact O-CG1 3.11Å; A570-I574 PolarHBondContact O-N 2.83Å; F571-I574 PolarHBondContact O-N 2.78Å; I574-Q576 PolarHBondContact O-N 2.91Å; I574-Q577 PolarHBondContact O-N 3.32Å; I574-K578 PolarHBondContact O-N 3.28Å; I574-L583 HydrophobicContact CD1-CD1 4.1Å; I574-L583 HydrophobicContact CG1-CD1 4.48Å; I574-L583 HydrophobicContact CG2-CD1 3.84Å; I574-K586 HydrophobicContact CD1-CB 3.98Å; I574-K586 HydrophobicContact CG1-CB 4.4Å
575I85.1Confident85.5Confident73 Ų7373.1 Ų73.137%0.37437%0.37SS..Hα-helixtrans-60.9-42.3179.9-69.8170.7000111.7F571 K578F571-I575 HydrophobicContact CD1-CD1 3.83Å; F571-I575 HydrophobicContact CE1-CD1 3.5Å; F571-I575 VanDerWaalsContact CE1-CD1 3.5Å; F571-I575 HydrophobicContact CE2-CD1 4.28Å; F571-I575 HydrophobicContact CG-CD1 4.37Å; F571-I575 HydrophobicContact CZ-CD1 3.74Å; F571-I575 HydrophobicContact CZ-CG1 4.5Å; F571-I575 PolarHBondContact O-N 3.24Å; I575-K578 WeakPolarHBondContact O-CG 3.3Å
576Q84.9Confident85.2Confident113 Ų11370.6 Ų70.653%0.52836%0.358SS..Hα-helixtrans-70.6-39.4-178-77178.3-9.600113.1Q572 Q573 I574Q572-Q576 WeakPolarHBondContact O-CB 3.45Å; Q572-Q576 VanDerWaalsContact O-CG 3.28Å; Q572-Q576 WeakPolarHBondContact O-CG 3.44Å; Q572-Q576 PolarHBondContact O-N 2.94Å; Q572-Q576 VanDerWaalsContact O-N 3.08Å; Q573-Q576 PolarHBondContact O-N 3.03Å; I574-Q576 PolarHBondContact O-N 2.91Å
577Q80.6Confident85Confident117 Ų11767.5 Ų67.555%0.54734%0.341SS..Hα-helixtrans-94.8-25.3-173-62.1-169.37.200114Q573 I574 V579 L582Q573-Q577 WeakPolarHBondContact O-CB 3.42Å; Q573-Q577 WeakPolarHBondContact O-CG 3.37Å; Q573-Q577 PolarHBondContact O-N 2.88Å; I574-Q577 PolarHBondContact O-N 3.32Å; Q577-V579 HydrophobicContact CB-CG2 4.27Å; Q577-V579 VanDerWaalsContact O-CG2 3.31Å; Q577-V579 WeakPolarHBondContact O-CG2 3.44Å; Q577-V579 PolarHBondContact O-N 3.03Å; Q577-L582 HydrophobicContact CB-CD2 4.02Å; Q577-L582 HydrophobicContact CG-CD2 4.39Å
578K74.1Confident84.7Confident178 Ų17873.2 Ų73.277%0.77437%0.371SS*.  trans52.626.4179.6-58-169.2175.6-174.50115.3I574 I575I574-K578 PolarHBondContact O-N 3.28Å; I575-K578 WeakPolarHBondContact O-CG 3.3Å
579V75.6Confident84.4Confident68 Ų6874.9 Ų74.941%0.41238%0.376SS..  trans-93.2118.3-179.7-178.80000110.5Q577 S581 L582 L583Q577-V579 HydrophobicContact CB-CG2 4.27Å; Q577-V579 VanDerWaalsContact O-CG2 3.31Å; Q577-V579 WeakPolarHBondContact O-CG2 3.44Å; Q577-V579 PolarHBondContact O-N 3.03Å; V579-S581 VanDerWaalsContact C-N 3.3Å; V579-S581 VanDerWaalsContact CG1-OG 3.26Å; V579-S581 WeakPolarHBondContact CG1-OG 3.42Å; V579-S581 PolarHBondContact O-N 3.05Å; V579-L582 HydrophobicContact CB-CB 4.15Å; V579-L582 HydrophobicContact CG1-CB 4.5Å; V579-L582 WeakPolarHBondContact O-CB 3.41Å; V579-L582 PolarHBondContact O-N 2.73Å; V579-L582 VanDerWaalsContact O-N 3.12Å; V579-L583 PolarHBondContact O-N 3.19Å; V579-L583 VanDerWaalsContact O-N 3.1Å
580N74.9Confident84.4Confident132 Ų13270 Ų7071%0.70636%0.355SS*.Hα-helixtrans-62.6-28.2-177.4-82.9-16000114.7L583 Q584N580-L583 WeakPolarHBondContact O-CB 3.24Å; N580-Q584 PolarHBondContact O-N 3.03Å
581S80.5Confident84.5Confident82 Ų8271.2 Ų71.257%0.57336%0.361SS*.Hα-helixtrans-70.6-40.5173.452.90000112V579 L583 Q584 T585V579-S581 VanDerWaalsContact C-N 3.3Å; V579-S581 VanDerWaalsContact CG1-OG 3.26Å; V579-S581 WeakPolarHBondContact CG1-OG 3.42Å; V579-S581 PolarHBondContact O-N 3.05Å; S581-L583 VanDerWaalsContact C-N 3.3Å; S581-L583 PolarHBondContact O-N 2.64Å; S581-Q584 PolarHBondContact O-N 3.13Å; S581-T585 PolarHBondContact O-N 2.66Å; S581-T585 PolarHBondContact O-OG1 3.36Å
582L80.9Confident84.5Confident37 Ų3774.7 Ų74.719%0.19438%0.378CS..Hα-helixtrans-59.8-42.1173.2-177.173.5000111.1Q573 Q577 V579 Q584 T585 K586Q573-L582 HydrophobicContact CB-CD2 4.46Å; Q577-L582 HydrophobicContact CB-CD2 4.02Å; Q577-L582 HydrophobicContact CG-CD2 4.39Å; V579-L582 HydrophobicContact CB-CB 4.15Å; V579-L582 HydrophobicContact CG1-CB 4.5Å; V579-L582 WeakPolarHBondContact O-CB 3.41Å; V579-L582 PolarHBondContact O-N 2.73Å; V579-L582 VanDerWaalsContact O-N 3.12Å; L582-Q584 PolarHBondContact O-N 3.07Å; L582-T585 PolarHBondContact O-N 2.98Å; L582-K586 HydrophobicContact CD1-CG 4.15Å; L582-K586 HydrophobicContact CG-CG 4.38Å; L582-K586 WeakPolarHBondContact O-CB 3.13Å; L582-K586 PolarHBondContact O-N 3.31Å
583L81.8Confident84.7Confident23 Ų2372.8 Ų72.812%0.1237%0.37CS..Hα-helixtrans-53.6-51.9174.3177.670.6000110.7I574 V579 N580 S581 F587I574-L583 HydrophobicContact CD1-CD1 4.1Å; I574-L583 HydrophobicContact CG1-CD1 4.48Å; I574-L583 HydrophobicContact CG2-CD1 3.84Å; V579-L583 PolarHBondContact O-N 3.19Å; V579-L583 VanDerWaalsContact O-N 3.1Å; N580-L583 WeakPolarHBondContact O-CB 3.24Å; S581-L583 VanDerWaalsContact C-N 3.3Å; S581-L583 PolarHBondContact O-N 2.64Å; L583-F587 WeakPolarHBondContact O-CB 3.32Å; L583-F587 PolarHBondContact O-N 2.77Å
584Q82.1Confident85Confident125 Ų12569 Ų6958%0.58435%0.352SS*.Hα-helixtrans-63.3-47.4-179.7-72.2-164.3-5.400112.8N580 S581 L582 K586 F587 I588N580-Q584 PolarHBondContact O-N 3.03Å; S581-Q584 PolarHBondContact O-N 3.13Å; L582-Q584 PolarHBondContact O-N 3.07Å; Q584-K586 PolarHBondContact O-N 3.43Å; Q584-F587 PolarHBondContact O-N 3.27Å; Q584-I588 WeakPolarHBondContact O-CG1 3.49Å; Q584-I588 PolarHBondContact O-N 3.32Å
585T86.6Confident85.5Confident92 Ų9272.5 Ų72.556%0.56437%0.368SS*.Hα-helixtrans-60.2-45.6179.5-51.70000111.6S581 L582 I588 E589S581-T585 PolarHBondContact O-N 2.66Å; S581-T585 PolarHBondContact O-OG1 3.36Å; L582-T585 PolarHBondContact O-N 2.98Å; T585-I588 PolarHBondContact O-N 3.04Å; T585-E589 PolarHBondContact O-N 3.02Å
586K88.3Confident85.9Confident39 Ų3971.6 Ų71.617%0.1736%0.362CS..Hα-helixtrans-73-26.7177.6-73.5-55.7-167.2-176.70113.5A570 I574 L582 Q584 E589 N590A570-K586 HydrophobicContact CB-CB 4.47Å; A570-K586 HydrophobicContact CB-CD 4.1Å; A570-K586 HydrophobicContact CB-CG 4.37Å; I574-K586 HydrophobicContact CD1-CB 3.98Å; I574-K586 HydrophobicContact CG1-CB 4.4Å; L582-K586 HydrophobicContact CD1-CG 4.15Å; L582-K586 HydrophobicContact CG-CG 4.38Å; L582-K586 WeakPolarHBondContact O-CB 3.13Å; L582-K586 PolarHBondContact O-N 3.31Å; Q584-K586 PolarHBondContact O-N 3.43Å; K586-E589 VanDerWaalsContact CD-OE2 3.31Å; K586-E589 WeakPolarHBondContact CD-OE2 3.27Å; K586-E589 IonicContact NZ-OE1 3.83Å; K586-E589 PolarHBondContact NZ-OE1 3.37Å; K586-E589 IonicContact NZ-OE2 2.94Å; K586-E589 PolarHBondContact NZ-OE2 3.49Å; K586-N590 VanDerWaalsContact O-CB 3.29Å; K586-N590 WeakPolarHBondContact O-CB 3.49Å; K586-N590 PolarHBondContact O-N 3.21Å
587F87.8Confident86.4Confident8 Ų866.2 Ų66.24%0.03534%0.337CS..Hα-helixtrans-69.6-36.8173.5-165-85.2000111.6P108 V112 F113 R116 L583 Q584 N590 T591P108-F587 HydrophobicContact CB-CB 4.35Å; P108-F587 HydrophobicContact CB-CD1 3.8Å; P108-F587 HydrophobicContact CB-CD2 4.16Å; P108-F587 HydrophobicContact CB-CE1 4.03Å; P108-F587 HydrophobicContact CB-CE2 4.41Å; P108-F587 HydrophobicContact CB-CG 3.86Å; P108-F587 HydrophobicContact CB-CZ 4.34Å; P108-F587 HydrophobicContact CG-CD1 3.72Å; P108-F587 HydrophobicContact CG-CE1 3.86Å; P108-F587 HydrophobicContact CG-CG 4.28Å; V112-F587 HydrophobicContact CB-CE2 4.12Å; V112-F587 HydrophobicContact CB-CZ 4.33Å; V112-F587 HydrophobicContact CG1-CE2 3.86Å; V112-F587 HydrophobicContact CG1-CZ 3.7Å; F113-F587 HydrophobicContact CB-CD2 4.32Å; F113-F587 HydrophobicContact CB-CE2 4.46Å; F113-F587 AromaticContact CD2-CD2 3.98Å; F113-F587 HydrophobicContact CD2-CD2 3.98Å; R116-F587 VanDerWaalsContact NH2-CE1 3.26Å; L583-F587 WeakPolarHBondContact O-CB 3.32Å; L583-F587 PolarHBondContact O-N 2.77Å; Q584-F587 PolarHBondContact O-N 3.27Å; F587-N590 PolarHBondContact O-N 2.82Å; F587-T591 WeakPolarHBondContact O-CB 3.46Å; F587-T591 PolarHBondContact O-N 3.43Å; F587-T591 PolarHBondContact O-OG1 3.17Å
588I87.4Confident87.1Confident121 Ų12161.6 Ų61.662%0.62132%0.316SS*.Hα-helixtrans-63.2-50.3172.1-65.3164.5000110.1Q584 T585 N590 T591 Q592Q584-I588 WeakPolarHBondContact O-CG1 3.49Å; Q584-I588 PolarHBondContact O-N 3.32Å; T585-I588 PolarHBondContact O-N 3.04Å; I588-N590 VanDerWaalsContact C-N 3.34Å; I588-N590 PolarHBondContact O-N 3.16Å; I588-T591 WeakPolarHBondContact O-CB 3.27Å; I588-T591 PolarHBondContact O-N 3.48Å; I588-Q592 PolarHBondContact O-N 3.11Å; I588-Q592 VanDerWaalsContact O-N 3.09Å
589E87.9Confident88.1Confident75 Ų7558.5 Ų58.535%0.3531%0.307SS..Hα-helixtrans-56.9-43.9175.9-173.7-175.4128.700112.2T585 K586 N593T585-E589 PolarHBondContact O-N 3.02Å; K586-E589 VanDerWaalsContact CD-OE2 3.31Å; K586-E589 WeakPolarHBondContact CD-OE2 3.27Å; K586-E589 IonicContact NZ-OE1 3.83Å; K586-E589 PolarHBondContact NZ-OE1 3.37Å; K586-E589 IonicContact NZ-OE2 2.94Å; K586-E589 PolarHBondContact NZ-OE2 3.49Å; E589-N593 WeakPolarHBondContact O-CB 3.32Å; E589-N593 VanDerWaalsContact O-CG 3.24Å; E589-N593 PolarHBondContact O-N 2.86Å; E589-N593 PolarHBondContact O-ND2 3.08Å; E589-N593 VanDerWaalsContact O-ND2 3.1Å
590N91Very high89.1Confident3 Ų355.4 Ų55.42%0.01629%0.288CS..Hα-helixtrans-66.9-33.6174.6169.4-97.9000113F113 R116 S567 K586 F587 I588 N593 S594F113-N590 HydrophobicContact CD2-CB 4.12Å; F113-N590 HydrophobicContact CE1-CB 4.49Å; F113-N590 HydrophobicContact CE2-CB 3.36Å; F113-N590 HydrophobicContact CZ-CB 3.58Å; R116-N590 WeakPolarHBondContact CD-OD1 3.48Å; R116-N590 PolarHBondContact NH1-OD1 2.88Å; S567-N590 PolarHBondContact OG-ND2 3.43Å; K586-N590 VanDerWaalsContact O-CB 3.29Å; K586-N590 WeakPolarHBondContact O-CB 3.49Å; K586-N590 PolarHBondContact O-N 3.21Å; F587-N590 PolarHBondContact O-N 2.82Å; I588-N590 VanDerWaalsContact C-N 3.34Å; I588-N590 PolarHBondContact O-N 3.16Å; N590-N593 PolarHBondContact O-N 3.37Å; N590-S594 WeakPolarHBondContact O-CB 3.44Å; N590-S594 PolarHBondContact O-N 2.85Å; N590-S594 PolarHBondContact O-OG 2.95Å
591T91.4Very high90.1Very high29 Ų2949.2 Ų49.218%0.17826%0.255CS..Hα-helixtrans-63.6-48.7176.8-55.10000110.1L104 R116 F587 I588 S594 Q595L104-T591 HydrophobicContact CD2-CG2 4.06Å; R116-T591 PolarHBondContact NH1-OG1 3.37Å; F587-T591 WeakPolarHBondContact O-CB 3.46Å; F587-T591 PolarHBondContact O-N 3.43Å; F587-T591 PolarHBondContact O-OG1 3.17Å; I588-T591 WeakPolarHBondContact O-CB 3.27Å; I588-T591 PolarHBondContact O-N 3.48Å; T591-S594 PolarHBondContact O-N 2.94Å; T591-Q595 WeakPolarHBondContact O-CG 3.42Å; T591-Q595 PolarHBondContact O-N 3.32Å
592Q91.6Very high90.7Very high95 Ų9549.5 Ų49.544%0.44425%0.25SS..Hα-helixtrans-59.1-51.3174.3-178.464.327.700111.5I588 S594 Q595 E596I588-Q592 PolarHBondContact O-N 3.11Å; I588-Q592 VanDerWaalsContact O-N 3.09Å; Q592-S594 VanDerWaalsContact C-N 3.26Å; Q592-S594 PolarHBondContact O-N 3.25Å; Q592-Q595 PolarHBondContact O-N 3.36Å; Q592-E596 PolarHBondContact NE2-OE1 3.43Å; Q592-E596 PolarHBondContact O-N 2.86Å
593N93.3Very high91.4Very high28 Ų2851 Ų5115%0.1525%0.253CS..Hα-helixtrans-58.7-37178.5-75.9-33.6000112.5I563 E589 N590 E596 L597I563-N593 HydrophobicContact CG1-CB 4.37Å; I563-N593 HydrophobicContact CG2-CB 3.97Å; E589-N593 WeakPolarHBondContact O-CB 3.32Å; E589-N593 VanDerWaalsContact O-CG 3.24Å; E589-N593 PolarHBondContact O-N 2.86Å; E589-N593 PolarHBondContact O-ND2 3.08Å; E589-N593 VanDerWaalsContact O-ND2 3.1Å; N590-N593 PolarHBondContact O-N 3.37Å; N593-E596 PolarHBondContact O-N 2.81Å; N593-L597 WeakPolarHBondContact O-CB 3.48Å; N593-L597 PolarHBondContact O-N 3.26Å
594S94.2Very high92.1Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-70.4-39.7178.3-59.80000112.1N590 T591 Q592 L597 I598N590-S594 WeakPolarHBondContact O-CB 3.44Å; N590-S594 PolarHBondContact O-N 2.85Å; N590-S594 PolarHBondContact O-OG 2.95Å; T591-S594 PolarHBondContact O-N 2.94Å; Q592-S594 VanDerWaalsContact C-N 3.26Å; Q592-S594 PolarHBondContact O-N 3.25Å; S594-L597 PolarHBondContact O-N 3.1Å; S594-I598 WeakPolarHBondContact O-CG1 3.44Å; S594-I598 PolarHBondContact O-N 3.08Å; S594-I598 VanDerWaalsContact O-N 3.08Å
595Q94.9Very high92.6Very high84 Ų8446 Ų4639%0.39323%0.233SC..Hα-helixtrans-61.5-46.8172.1-72.2175.6-5.300111L104 T591 Q592 L597 I598 I599L104-Q595 HydrophobicContact CD1-CG 3.53Å; T591-Q595 WeakPolarHBondContact O-CG 3.42Å; T591-Q595 PolarHBondContact O-N 3.32Å; Q592-Q595 PolarHBondContact O-N 3.36Å; Q595-L597 VanDerWaalsContact C-N 3.27Å; Q595-L597 PolarHBondContact O-N 3.38Å; Q595-I598 PolarHBondContact O-N 3.44Å; Q595-I599 WeakPolarHBondContact O-CG1 3.45Å; Q595-I599 PolarHBondContact O-N 3.22Å
596E94.3Very high93Very high54 Ų5446.4 Ų46.425%0.25223%0.229SC..Hα-helixtrans-64.1-29.9177.5-71.6-172.9-145.400113.3K559 I563 Q592 N593 A600K559-E596 WeakPolarHBondContact CE-OE2 3.44Å; K559-E596 IonicContact NZ-OE2 2.68Å; K559-E596 PolarHBondContact NZ-OE2 2.71Å; I563-E596 HydrophobicContact CD1-CB 4.26Å; Q592-E596 PolarHBondContact NE2-OE1 3.43Å; Q592-E596 PolarHBondContact O-N 2.86Å; N593-E596 PolarHBondContact O-N 2.81Å; E596-A600 VanDerWaalsContact O-CB 3.24Å; E596-A600 WeakPolarHBondContact O-CB 3.5Å; E596-A600 PolarHBondContact O-N 3.22Å
597L95.8Very high93.4Very high0 Ų044.6 Ų44.60%022%0.221CC..Hα-helixtrans-71.5-40.7173.9-174.4142.1000112.4L100 I120 L123 M560 I563 N593 S594 Q595 A600 F601L100-L597 HydrophobicContact CD2-CD2 4.05Å; I120-L597 HydrophobicContact CG1-CD1 4.27Å; I120-L597 HydrophobicContact CG2-CD1 3.85Å; L123-L597 HydrophobicContact CB-CD2 4.49Å; L123-L597 HydrophobicContact CD2-CD2 3.67Å; L123-L597 HydrophobicContact CG-CD2 4.21Å; M560-L597 HydrophobicContact CB-CD1 4.32Å; M560-L597 HydrophobicContact CE-CD2 4.18Å; M560-L597 HydrophobicContact CE-CG 4.11Å; M560-L597 HydrophobicContact CG-CD1 4.5Å; M560-L597 HydrophobicContact CG-CG 4.23Å; I563-L597 HydrophobicContact CB-CD1 4.08Å; I563-L597 HydrophobicContact CD1-CB 4.05Å; I563-L597 HydrophobicContact CG2-CB 4.09Å; I563-L597 HydrophobicContact CG2-CD1 3.62Å; N593-L597 WeakPolarHBondContact O-CB 3.48Å; N593-L597 PolarHBondContact O-N 3.26Å; S594-L597 PolarHBondContact O-N 3.1Å; Q595-L597 VanDerWaalsContact C-N 3.27Å; Q595-L597 PolarHBondContact O-N 3.38Å; L597-A600 PolarHBondContact O-N 2.95Å; L597-F601 WeakPolarHBondContact O-CB 3.44Å; L597-F601 PolarHBondContact O-N 2.85Å
598I95Very high93.7Very high21 Ų2144.7 Ų44.711%0.10822%0.222CC..Hα-helixtrans-62.9-45.8173.9-66.8165.9000110.1L100 A101 L104 S594 Q595 A600 F601 N602L100-I598 HydrophobicContact CB-CD1 4.2Å; L100-I598 HydrophobicContact CD2-CD1 4.19Å; L100-I598 HydrophobicContact CD2-CG1 3.97Å; L100-I598 HydrophobicContact CG-CD1 4.01Å; L100-I598 HydrophobicContact CG-CG1 4.33Å; A101-I598 HydrophobicContact CB-CD1 4.13Å; L104-I598 HydrophobicContact CD1-CD1 4.06Å; S594-I598 WeakPolarHBondContact O-CG1 3.44Å; S594-I598 PolarHBondContact O-N 3.08Å; S594-I598 VanDerWaalsContact O-N 3.08Å; Q595-I598 PolarHBondContact O-N 3.44Å; I598-A600 PolarHBondContact O-N 3.3Å; I598-F601 PolarHBondContact O-N 3.33Å; I598-N602 WeakPolarHBondContact O-CB 3.45Å; I598-N602 PolarHBondContact O-N 2.86Å; I598-N602 PolarHBondContact O-ND2 2.96Å
599I95.4Very high93.9Very high113 Ų11340.8 Ų40.858%0.57921%0.212SC*.Hα-helixtrans-60.4-46.2177.2-67.1164.7000110.6Q595 F601 N602 R603Q595-I599 WeakPolarHBondContact O-CG1 3.45Å; Q595-I599 PolarHBondContact O-N 3.22Å; I599-F601 PolarHBondContact O-N 2.85Å; I599-N602 PolarHBondContact O-N 3.02Å; I599-R603 WeakPolarHBondContact O-CB 3.25Å; I599-R603 PolarHBondContact O-N 3.36Å
600A95.6Very high94.1Very high2 Ų240.5 Ų40.52%0.01721%0.212CC..Hα-helixtrans-63.3-41.2178.800000112.9L556 M560 E596 L597 I598 L604L556-A600 HydrophobicContact CD2-CB 3.96Å; M560-A600 HydrophobicContact CG-CB 4.06Å; E596-A600 VanDerWaalsContact O-CB 3.24Å; E596-A600 WeakPolarHBondContact O-CB 3.5Å; E596-A600 PolarHBondContact O-N 3.22Å; L597-A600 PolarHBondContact O-N 2.95Å; I598-A600 PolarHBondContact O-N 3.3Å; A600-L604 WeakPolarHBondContact O-CB 3.3Å; A600-L604 PolarHBondContact O-N 3.45Å
601F95.8Very high94.3Very high3 Ų340.3 Ų40.31%0.01321%0.211CC..Hα-helixtrans-66.7-44.3177.4-177.3-100.5000112.4V91 D93 P97 L123 I126 M560 L597 I598 I599 R603 L604 C605V91-F601 HydrophobicContact CG1-CZ 3.91Å; D93-F601 HydrophobicContact CB-CE1 3.7Å; D93-F601 HydrophobicContact CB-CZ 3.8Å; P97-F601 HydrophobicContact CG-CD1 3.59Å; P97-F601 HydrophobicContact CG-CE1 3.65Å; L123-F601 HydrophobicContact CD1-CD1 3.92Å; L123-F601 HydrophobicContact CD1-CD2 3.66Å; L123-F601 HydrophobicContact CD1-CE1 3.78Å; L123-F601 HydrophobicContact CD1-CE2 3.52Å; L123-F601 HydrophobicContact CD1-CG 3.84Å; L123-F601 HydrophobicContact CD1-CZ 3.57Å; L123-F601 HydrophobicContact CD2-CB 4.47Å; L123-F601 HydrophobicContact CD2-CD1 4.47Å; L123-F601 HydrophobicContact CD2-CG 4.29Å; L123-F601 HydrophobicContact CG-CD2 4.09Å; L123-F601 HydrophobicContact CG-CE2 4.4Å; L123-F601 HydrophobicContact CG-CG 4.15Å; I126-F601 HydrophobicContact CB-CE2 4.33Å; I126-F601 HydrophobicContact CG2-CE2 3.93Å; I126-F601 HydrophobicContact CG2-CZ 4.09Å; M560-F601 HydrophobicContact CE-CB 3.95Å; M560-F601 HydrophobicContact CE-CD2 3.84Å; M560-F601 HydrophobicContact CE-CG 4.32Å; M560-F601 HydrophobicContact SD-CB 4.13Å; M560-F601 HydrophobicContact SD-CD2 4.31Å; L597-F601 WeakPolarHBondContact O-CB 3.44Å; L597-F601 PolarHBondContact O-N 2.85Å; I598-F601 PolarHBondContact O-N 3.33Å; I599-F601 PolarHBondContact O-N 2.85Å; F601-R603 PolarHBondContact O-N 3.19Å; F601-L604 WeakPolarHBondContact O-CB 3.43Å; F601-L604 PolarHBondContact O-N 3.28Å; F601-C605 PolarHBondContact O-N 3.34Å; F601-C605 PolarHBondContact O-SG 3.38Å
602N94.4Very high94.2Very high87 Ų8739.4 Ų39.447%0.46521%0.205SC..Hα-helixtrans-61.7-45.4178.2-69.8-12.6000111.3I598 I599 L604 C605 E606I598-N602 WeakPolarHBondContact O-CB 3.45Å; I598-N602 PolarHBondContact O-N 2.86Å; I598-N602 PolarHBondContact O-ND2 2.96Å; I599-N602 PolarHBondContact O-N 3.02Å; N602-L604 VanDerWaalsContact C-N 3.31Å; N602-L604 PolarHBondContact O-N 3.28Å; N602-C605 PolarHBondContact O-N 3.5Å; N602-E606 PolarHBondContact O-N 3.3Å
603R96.1Very high94.2Very high70 Ų7041.3 Ų41.326%0.26421%0.213SC..Hα-helixtrans-63.2-36.5175.9179.858.5-179163.79.7112.2E552 L556 I599 F601 E606 I607E552-R603 WeakPolarHBondContact OE1-CG 3.48Å; E552-R603 IonicContact OE1-CZ 2.64Å; E552-R603 IonicContact OE1-NE 3.57Å; E552-R603 PolarHBondContact OE1-NE 3.39Å; E552-R603 IonicContact OE1-NH2 2.79Å; E552-R603 PolarHBondContact OE1-NH2 2.86Å; E552-R603 IonicContact OE2-CZ 3.79Å; E552-R603 IonicContact OE2-NE 2.66Å; E552-R603 IonicContact OE2-NH2 2.64Å; E552-R603 PolarHBondContact OE2-NH2 3.02Å; L556-R603 HydrophobicContact CD1-CB 4Å; L556-R603 HydrophobicContact CD1-CG 3.62Å; I599-R603 WeakPolarHBondContact O-CB 3.25Å; I599-R603 PolarHBondContact O-N 3.36Å; F601-R603 PolarHBondContact O-N 3.19Å; R603-E606 WeakPolarHBondContact CD-OE2 3.46Å; R603-E606 IonicContact CZ-OE2 2.8Å; R603-E606 IonicContact NE-OE2 3.55Å; R603-E606 IonicContact NH1-OE1 2.69Å; R603-E606 PolarHBondContact NH1-OE1 2.92Å; R603-E606 IonicContact NH1-OE2 3.21Å; R603-E606 PolarHBondContact NH1-OE2 2.89Å; R603-E606 WeakPolarHBondContact O-CB 3.35Å; R603-E606 PolarHBondContact O-N 3.11Å; R603-I607 HydrophobicContact CG-CD1 4.22Å; R603-I607 VanDerWaalsContact O-CG1 3.31Å; R603-I607 WeakPolarHBondContact O-CG1 3.42Å; R603-I607 PolarHBondContact O-N 3.34Å
604L95.5Very high94.1Very high0 Ų040.8 Ų40.80%021%0.212CC..Hα-helixtrans-65.6-38.7175.5-171.566.5000112.5G127 A130 A131 I134 A553 L556 A600 F601 N602 I607 L608G127-L604 WeakPolarHBondContact O-CD2 3.49Å; A130-L604 HydrophobicContact CB-CD2 3.98Å; A130-L604 HydrophobicContact CB-CG 4.25Å; A131-L604 HydrophobicContact CB-CD1 4.21Å; A131-L604 HydrophobicContact CB-CD2 4.3Å; I134-L604 HydrophobicContact CD1-CD1 3.62Å; I134-L604 HydrophobicContact CD1-CG 4.24Å; A553-L604 HydrophobicContact CB-CD1 3.53Å; L556-L604 HydrophobicContact CD1-CB 4.4Å; A600-L604 WeakPolarHBondContact O-CB 3.3Å; A600-L604 PolarHBondContact O-N 3.45Å; F601-L604 WeakPolarHBondContact O-CB 3.43Å; F601-L604 PolarHBondContact O-N 3.28Å; N602-L604 VanDerWaalsContact C-N 3.31Å; N602-L604 PolarHBondContact O-N 3.28Å; L604-I607 PolarHBondContact O-N 2.88Å; L604-L608 PolarHBondContact O-N 3.45Å
605C93.4Very high93.9Very high42 Ų4241.1 Ų41.128%0.28421%0.214SC..Hα-helixtrans-66.9-36.5174.2-63.40000112.2F601 N602 L608 G609F601-C605 PolarHBondContact O-N 3.34Å; F601-C605 PolarHBondContact O-SG 3.38Å; N602-C605 PolarHBondContact O-N 3.5Å; C605-L608 PolarHBondContact O-N 3.15Å; C605-G609 PolarHBondContact O-N 2.82Å; C605-G609 VanDerWaalsContact O-N 3.13Å
606E94.6Very high93.6Very high101 Ų10139.3 Ų39.347%0.47221%0.206SC..Hα-helixtrans-61-48.1172.5-168.1-161.2160.500111.3N602 R603 L608 G609 I610N602-E606 PolarHBondContact O-N 3.3Å; R603-E606 WeakPolarHBondContact CD-OE2 3.46Å; R603-E606 IonicContact CZ-OE2 2.8Å; R603-E606 IonicContact NE-OE2 3.55Å; R603-E606 IonicContact NH1-OE1 2.69Å; R603-E606 PolarHBondContact NH1-OE1 2.92Å; R603-E606 IonicContact NH1-OE2 3.21Å; R603-E606 PolarHBondContact NH1-OE2 2.89Å; R603-E606 WeakPolarHBondContact O-CB 3.35Å; R603-E606 PolarHBondContact O-N 3.11Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 3.21Å; E606-G609 PolarHBondContact O-N 3.46Å; E606-G609 VanDerWaalsContact O-N 3.13Å; E606-I610 HydrophobicContact CG-CD1 4.25Å; E606-I610 WeakPolarHBondContact O-CG1 3.4Å; E606-I610 PolarHBondContact O-N 2.68Å
607I95.5Very high93.3Very high0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-60.4-42.3177.6-64.5162.4000111.1I134 L549 E552 A553 L556 R603 L604 G609 I610 V611I134-I607 HydrophobicContact CD1-CB 4.21Å; I134-I607 HydrophobicContact CD1-CG2 3.92Å; I134-I607 HydrophobicContact CG2-CG2 4.35Å; L549-I607 HydrophobicContact CB-CG2 3.99Å; L549-I607 HydrophobicContact CD2-CG1 4.38Å; E552-I607 HydrophobicContact CB-CD1 4.1Å; E552-I607 HydrophobicContact CG-CD1 3.89Å; A553-I607 HydrophobicContact CB-CD1 4.46Å; A553-I607 HydrophobicContact CB-CG2 4.28Å; L556-I607 HydrophobicContact CD1-CD1 3.84Å; R603-I607 HydrophobicContact CG-CD1 4.22Å; R603-I607 VanDerWaalsContact O-CG1 3.31Å; R603-I607 WeakPolarHBondContact O-CG1 3.42Å; R603-I607 PolarHBondContact O-N 3.34Å; L604-I607 PolarHBondContact O-N 2.88Å; I607-G609 VanDerWaalsContact C-N 3.3Å; I607-G609 PolarHBondContact O-N 2.66Å; I607-I610 PolarHBondContact O-N 2.94Å; I607-V611 HydrophobicContact CG2-CG2 4.12Å; I607-V611 WeakPolarHBondContact O-CB 3.37Å; I607-V611 VanDerWaalsContact O-CG2 3.28Å; I607-V611 WeakPolarHBondContact O-CG2 3.43Å; I607-V611 PolarHBondContact O-N 2.9Å
608L94.3Very high93.1Very high11 Ų1140.8 Ų40.86%0.05822%0.215CC..Hα-helixtrans-58.3-42.3175.417965.6000111.7V91 A133 I134 L137 L604 C605 E606 V611 M612V91-L608 HydrophobicContact CG2-CD2 3.42Å; V91-L608 VanDerWaalsContact CG2-CD2 3.42Å; A133-L608 HydrophobicContact CB-CD1 4.31Å; I134-L608 HydrophobicContact CD1-CB 4.04Å; I134-L608 HydrophobicContact CG1-CB 4.01Å; I134-L608 HydrophobicContact CG1-CD1 3.84Å; L137-L608 HydrophobicContact CD1-CD1 3.5Å; L137-L608 VanDerWaalsContact CD1-CD1 3.5Å; L604-L608 PolarHBondContact O-N 3.45Å; C605-L608 PolarHBondContact O-N 3.15Å; E606-L608 VanDerWaalsContact C-N 3.33Å; E606-L608 PolarHBondContact O-N 3.21Å; L608-V611 PolarHBondContact O-N 3.26Å; L608-M612 VanDerWaalsContact O-CB 3.29Å; L608-M612 WeakPolarHBondContact O-CB 3.47Å; L608-M612 PolarHBondContact O-N 3.46Å
609G92.3Very high92.8Very high39 Ų3940.4 Ų40.440%0.40222%0.216SC..Hα-helixtrans-59.9-49.6175.200000112.7C605 E606 I607 V611 M612 E613C605-G609 PolarHBondContact O-N 2.82Å; C605-G609 VanDerWaalsContact O-N 3.13Å; E606-G609 PolarHBondContact O-N 3.46Å; E606-G609 VanDerWaalsContact O-N 3.13Å; I607-G609 VanDerWaalsContact C-N 3.3Å; I607-G609 PolarHBondContact O-N 2.66Å; G609-V611 PolarHBondContact O-N 3.4Å; G609-M612 PolarHBondContact O-N 3.16Å; G609-E613 PolarHBondContact O-N 2.83Å
610I93Very high92.3Very high68 Ų6837.9 Ų37.935%0.34920%0.203SC..Hα-helixtrans-60-44.8178.6-64.4164.1000111.1L549 E606 I607 E613 S614L549-I610 HydrophobicContact CD1-CG2 3.79Å; E606-I610 HydrophobicContact CG-CD1 4.25Å; E606-I610 WeakPolarHBondContact O-CG1 3.4Å; E606-I610 PolarHBondContact O-N 2.68Å; I607-I610 PolarHBondContact O-N 2.94Å; I610-E613 PolarHBondContact O-N 3.1Å; I610-S614 PolarHBondContact O-N 3.2Å
611V93.6Very high91.8Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-68.3-35-179.7172.90000111.5I134 L137 V138 Q141 L546 I607 L608 G609 K615I134-V611 HydrophobicContact CG2-CG2 4.29Å; L137-V611 HydrophobicContact CB-CG1 3.63Å; L137-V611 HydrophobicContact CD1-CG1 4.24Å; V138-V611 HydrophobicContact CG2-CG1 3.84Å; V138-V611 HydrophobicContact CG2-CG2 4.46Å; Q141-V611 PolarHBondContact NE2-O 3.32Å; Q141-V611 VanDerWaalsContact NE2-O 3.15Å; L546-V611 HydrophobicContact CD2-CG2 4.16Å; I607-V611 HydrophobicContact CG2-CG2 4.12Å; I607-V611 WeakPolarHBondContact O-CB 3.37Å; I607-V611 VanDerWaalsContact O-CG2 3.28Å; I607-V611 WeakPolarHBondContact O-CG2 3.43Å; I607-V611 PolarHBondContact O-N 2.9Å; L608-V611 PolarHBondContact O-N 3.26Å; G609-V611 PolarHBondContact O-N 3.4Å; V611-K615 PolarHBondContact O-N 2.7Å; V611-K615 VanDerWaalsContact O-N 3.08Å
612M90.8Very high91.4Very high10 Ų1039.9 Ų39.95%0.04921%0.214CC..Hα-helixtrans-67.4-46.6174.2-176.759.163.700112.2V88 L89 L137 L608 G609 S614 K615 L616V88-M612 HydrophobicContact CG1-CG 4.26Å; L89-M612 HydrophobicContact CB-CE 3.7Å; L89-M612 HydrophobicContact CD1-CE 4.24Å; L89-M612 HydrophobicContact CG-CE 3.83Å; L137-M612 HydrophobicContact CD1-CE 3.71Å; L137-M612 HydrophobicContact CD2-CE 3.67Å; L137-M612 HydrophobicContact CD2-SD 4.45Å; L137-M612 HydrophobicContact CG-CE 4.35Å; L608-M612 VanDerWaalsContact O-CB 3.29Å; L608-M612 WeakPolarHBondContact O-CB 3.47Å; L608-M612 PolarHBondContact O-N 3.46Å; G609-M612 PolarHBondContact O-N 3.16Å; M612-S614 VanDerWaalsContact C-N 3.31Å; M612-S614 PolarHBondContact O-N 2.99Å; M612-K615 PolarHBondContact O-N 2.91Å; M612-K615 VanDerWaalsContact O-N 3.1Å; M612-L616 HydrophobicContact CG-CD1 4.22Å; M612-L616 PolarHBondContact O-N 2.76Å
613E90.1Very high90.9Very high134 Ų13438 Ų3863%0.62620%0.202SC*.Hα-helixtrans-61.8-40.1176.4-173.1171.3-165.800111.4G609 I610 K615 L616 L617G609-E613 PolarHBondContact O-N 2.83Å; I610-E613 PolarHBondContact O-N 3.1Å; E613-K615 PolarHBondContact O-N 2.85Å; E613-L616 PolarHBondContact O-N 2.88Å; E613-L617 WeakPolarHBondContact O-CB 3.38Å; E613-L617 PolarHBondContact O-N 3.21Å
614S90.8Very high90.3Very high17 Ų1739.3 Ų39.312%0.11921%0.214CC..Hα-helixtrans-59.1-43.5171.11770000112.4Q141 R542 I610 M612 L617 L618Q141-S614 VanDerWaalsContact OE1-C 3.28Å; Q141-S614 VanDerWaalsContact OE1-CB 3.31Å; Q141-S614 PolarHBondContact OE1-OG 3.17Å; R542-S614 PolarHBondContact NH1-O 2.74Å; R542-S614 PolarHBondContact NH1-OG 3.14Å; I610-S614 PolarHBondContact O-N 3.2Å; M612-S614 VanDerWaalsContact C-N 3.31Å; M612-S614 PolarHBondContact O-N 2.99Å; S614-L617 PolarHBondContact O-N 3.24Å; S614-L618 VanDerWaalsContact O-CB 3.29Å; S614-L618 WeakPolarHBondContact O-CB 3.44Å; S614-L618 PolarHBondContact O-N 2.57Å
615K90.9Very high89.8Confident8 Ų840.3 Ų40.34%0.03522%0.217CC..Hα-helixtrans-63.2-44.3178.6-171.7179.6179.7-1720111.6G9 P86 L137 E140 Q141 M144 V611 M612 E613 L618 A619G9-K615 WeakPolarHBondContact O-CE 3.5Å; G9-K615 PolarHBondContact O-NZ 3.26Å; P86-K615 HydrophobicContact CB-CD 4.27Å; L137-K615 HydrophobicContact CD2-CD 3.67Å; E140-K615 IonicContact OE2-NZ 2.85Å; E140-K615 PolarHBondContact OE2-NZ 3.06Å; Q141-K615 HydrophobicContact CG-CB 3.82Å; Q141-K615 HydrophobicContact CG-CG 3.86Å; M144-K615 HydrophobicContact SD-CG 4.13Å; V611-K615 PolarHBondContact O-N 2.7Å; V611-K615 VanDerWaalsContact O-N 3.08Å; M612-K615 PolarHBondContact O-N 2.91Å; M612-K615 VanDerWaalsContact O-N 3.1Å; E613-K615 PolarHBondContact O-N 2.85Å; K615-L618 PolarHBondContact O-N 3.35Å; K615-A619 WeakPolarHBondContact O-CB 3.45Å; K615-A619 PolarHBondContact O-N 2.98Å
616L89.6Confident89.4Confident45 Ų4538.8 Ų38.824%0.23621%0.206CC..Hα-helixtrans-63.2-43177.6-72.8164.1000112V88 M612 E613 A619 N620V88-L616 HydrophobicContact CG2-CD1 4.23Å; M612-L616 HydrophobicContact CG-CD1 4.22Å; M612-L616 PolarHBondContact O-N 2.76Å; E613-L616 PolarHBondContact O-N 2.88Å; L616-A619 PolarHBondContact O-N 2.94Å; L616-N620 PolarHBondContact O-N 3.02Å; L616-N620 VanDerWaalsContact O-N 3.12Å; L616-N620 PolarHBondContact O-ND2 3.39Å
617L88.1Confident88.9Confident85 Ų8538.3 Ų38.345%0.44520%0.2SC..Hα-helixtrans-73-33.4-179.8-159.8142.6000112.1E613 S614 N621E613-L617 WeakPolarHBondContact O-CB 3.38Å; E613-L617 PolarHBondContact O-N 3.21Å; S614-L617 PolarHBondContact O-N 3.24Å; L617-N621 WeakPolarHBondContact O-CB 3.42Å; L617-N621 PolarHBondContact O-N 2.75Å; L617-N621 VanDerWaalsContact O-N 3.13Å
618L89.8Confident88.5Confident0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-62.6-43.9167.8178.666.3000111.6Q141 M144 I145 F539 S614 K615 N621 L622Q141-L618 HydrophobicContact CB-CD2 3.93Å; Q141-L618 HydrophobicContact CG-CD2 3.88Å; M144-L618 HydrophobicContact CB-CD2 4.01Å; M144-L618 HydrophobicContact CE-CD2 4.2Å; M144-L618 HydrophobicContact CE-CG 4.16Å; M144-L618 HydrophobicContact SD-CD2 4.16Å; I145-L618 HydrophobicContact CD1-CD1 4.45Å; I145-L618 HydrophobicContact CD1-CD2 4.24Å; I145-L618 HydrophobicContact CG1-CD1 4.12Å; I145-L618 HydrophobicContact CG1-CD2 4.1Å; F539-L618 HydrophobicContact CD1-CD1 3.8Å; F539-L618 HydrophobicContact CE1-CD1 3.73Å; S614-L618 VanDerWaalsContact O-CB 3.29Å; S614-L618 WeakPolarHBondContact O-CB 3.44Å; S614-L618 PolarHBondContact O-N 2.57Å; K615-L618 PolarHBondContact O-N 3.35Å; L618-N621 PolarHBondContact O-N 2.86Å; L618-L622 HydrophobicContact CD1-CD1 4.04Å; L618-L622 HydrophobicContact CD1-CG 4.03Å; L618-L622 HydrophobicContact CG-CD1 4.04Å; L618-L622 HydrophobicContact CG-CG 4.35Å; L618-L622 WeakPolarHBondContact O-CB 3.3Å; L618-L622 WeakPolarHBondContact O-CG 3.41Å; L618-L622 PolarHBondContact O-N 2.69Å
619A89Confident88.2Confident14 Ų1440.1 Ų40.112%0.11621%0.208CC..Hα-helixtrans-60.2-47.6179.400000112.1P86 M144 K615 L616 N621 L622 F623P86-A619 HydrophobicContact CG-CB 3.84Å; M144-A619 HydrophobicContact CE-CB 3.78Å; K615-A619 WeakPolarHBondContact O-CB 3.45Å; K615-A619 PolarHBondContact O-N 2.98Å; L616-A619 PolarHBondContact O-N 2.94Å; A619-N621 PolarHBondContact O-N 3.42Å; A619-L622 PolarHBondContact O-N 3.09Å; A619-F623 WeakPolarHBondContact O-CB 3.06Å; A619-F623 PolarHBondContact O-N 3.48Å
620N84.7Confident87.8Confident60 Ų6040 Ų4032%0.32120%0.196SC..Hα-helixtrans-60.6-46.4175.9-57.5-48.4000110.9K85 L616 L622 F623 D624K85-N620 WeakPolarHBondContact CE-OD1 3.47Å; K85-N620 PolarHBondContact NZ-OD1 2.99Å; L616-N620 PolarHBondContact O-N 3.02Å; L616-N620 VanDerWaalsContact O-N 3.12Å; L616-N620 PolarHBondContact O-ND2 3.39Å; N620-L622 PolarHBondContact O-N 3.26Å; N620-F623 WeakPolarHBondContact O-CB 3.16Å; N620-F623 PolarHBondContact O-N 3.38Å; N620-D624 PolarHBondContact O-N 3.26Å
621N85.8Confident87.4Confident41 Ų4140.5 Ų40.522%0.21920%0.2CC..Hα-helixtrans-66.9-35.2-177.7-169.3-109.3000113.1Y538 L617 L618 A619 R625Y538-N621 VanDerWaalsContact CE1-OD1 3.24Å; Y538-N621 WeakPolarHBondContact CE1-OD1 3.5Å; L617-N621 WeakPolarHBondContact O-CB 3.42Å; L617-N621 PolarHBondContact O-N 2.75Å; L617-N621 VanDerWaalsContact O-N 3.13Å; L618-N621 PolarHBondContact O-N 2.86Å; A619-N621 PolarHBondContact O-N 3.42Å; N621-R625 WeakPolarHBondContact O-CB 3.33Å; N621-R625 WeakPolarHBondContact O-CD 3.42Å; N621-R625 WeakPolarHBondContact O-CG 3.46Å; N621-R625 PolarHBondContact O-N 2.84Å; N621-R625 PolarHBondContact OD1-NE 3.44Å; N621-R625 PolarHBondContact OD1-NH2 2.75Å
622L87.2Confident87.2Confident6 Ų640.6 Ų40.63%0.03120%0.2CC..Hα-helixtrans-70.1-36.5172.2-73.9-178.7000112.3M6 M144 W148 F539 L618 A619 N620 R625 Q626M6-L622 HydrophobicContact CE-CD1 4.45Å; M144-L622 HydrophobicContact CB-CD1 3.78Å; M144-L622 HydrophobicContact CE-CD1 4.26Å; W148-L622 HydrophobicContact CB-CD2 3.65Å; W148-L622 HydrophobicContact CD2-CD2 3.94Å; W148-L622 HydrophobicContact CE3-CD2 4.26Å; W148-L622 HydrophobicContact CG-CD2 3.65Å; F539-L622 HydrophobicContact CE1-CD2 3.56Å; F539-L622 HydrophobicContact CE1-CG 4.25Å; F539-L622 HydrophobicContact CZ-CD2 3.59Å; L618-L622 HydrophobicContact CD1-CD1 4.04Å; L618-L622 HydrophobicContact CD1-CG 4.03Å; L618-L622 HydrophobicContact CG-CD1 4.04Å; L618-L622 HydrophobicContact CG-CG 4.35Å; L618-L622 WeakPolarHBondContact O-CB 3.3Å; L618-L622 WeakPolarHBondContact O-CG 3.41Å; L618-L622 PolarHBondContact O-N 2.69Å; A619-L622 PolarHBondContact O-N 3.09Å; N620-L622 PolarHBondContact O-N 3.26Å; L622-R625 PolarHBondContact O-N 3.3Å; L622-Q626 WeakPolarHBondContact O-CB 3.16Å; L622-Q626 PolarHBondContact O-N 3.05Å
623F84Confident87.1Confident48 Ų4841.6 Ų41.621%0.21121%0.205CC..Hα-helixtrans-61.5-46.3174.8175.4-98.8000112.2T76 V83 A619 N620 R625 Q626 R627T76-F623 HydrophobicContact CG2-CE2 3.81Å; V83-F623 HydrophobicContact CB-CE2 4.47Å; V83-F623 HydrophobicContact CG1-CD2 4.17Å; V83-F623 HydrophobicContact CG1-CE2 4.31Å; V83-F623 HydrophobicContact CG2-CD2 4.06Å; V83-F623 HydrophobicContact CG2-CE2 3.41Å; V83-F623 VanDerWaalsContact CG2-CE2 3.41Å; V83-F623 HydrophobicContact CG2-CZ 3.72Å; A619-F623 WeakPolarHBondContact O-CB 3.06Å; A619-F623 PolarHBondContact O-N 3.48Å; N620-F623 WeakPolarHBondContact O-CB 3.16Å; N620-F623 PolarHBondContact O-N 3.38Å; F623-R625 PolarHBondContact O-N 3.45Å; F623-Q626 PolarHBondContact O-N 3.41Å; F623-R627 PolarHBondContact O-N 3.3Å
624D82.6Confident86.9Confident96 Ų9638.6 Ų38.651%0.51320%0.199SC..Hα-helixtrans-62.5-43.1177.4-67.3-37.1000111.6N620 R627 W628N620-D624 PolarHBondContact O-N 3.26Å; D624-R627 PolarHBondContact O-N 3.12Å; D624-W628 PolarHBondContact O-N 3.13Å
625R86.1Confident86.9Confident21 Ų2138.6 Ų38.68%0.07920%0.197CC..Hα-helixtrans-64.4-38.1174.1-70.4171.1-173.9-95.2-2.5112.7W148 D532 A533 N621 L622 F623 W628 L629W148-R625 HydrophobicContact CH2-CB 3.58Å; W148-R625 WeakPolarHBondContact CH2-O 3.26Å; W148-R625 HydrophobicContact CZ2-CB 3.82Å; W148-R625 HydrophobicContact CZ2-CG 4.42Å; W148-R625 HydrophobicContact CZ3-CB 3.96Å; D532-R625 VanDerWaalsContact O-CZ 3.29Å; D532-R625 PolarHBondContact O-NH1 2.92Å; D532-R625 PolarHBondContact O-NH2 3.24Å; A533-R625 PolarHBondContact O-NH1 2.99Å; N621-R625 WeakPolarHBondContact O-CB 3.33Å; N621-R625 WeakPolarHBondContact O-CD 3.42Å; N621-R625 WeakPolarHBondContact O-CG 3.46Å; N621-R625 PolarHBondContact O-N 2.84Å; N621-R625 PolarHBondContact OD1-NE 3.44Å; N621-R625 PolarHBondContact OD1-NH2 2.75Å; L622-R625 PolarHBondContact O-N 3.3Å; F623-R625 PolarHBondContact O-N 3.45Å; R625-W628 PolarHBondContact O-N 2.76Å; R625-L629 VanDerWaalsContact O-CB 3.25Å; R625-L629 WeakPolarHBondContact O-CB 3.33Å; R625-L629 PolarHBondContact O-N 3.4Å
626Q85.7Confident86.9Confident11 Ų1138.2 Ų38.25%0.05120%0.195CC..Hα-helixtrans-65.1-39.9175.8172.7168.8-32.800111.4D7 T74 L622 F623 L629 Q630D7-Q626 PolarHBondContact OD1-NE2 3.05Å; T74-Q626 PolarHBondContact O-NE2 2.99Å; T74-Q626 VanDerWaalsContact O-NE2 3.13Å; L622-Q626 WeakPolarHBondContact O-CB 3.16Å; L622-Q626 PolarHBondContact O-N 3.05Å; F623-Q626 PolarHBondContact O-N 3.41Å; Q626-L629 PolarHBondContact O-N 2.82Å; Q626-Q630 VanDerWaalsContact O-CG 3.29Å; Q626-Q630 WeakPolarHBondContact O-CG 3.5Å; Q626-Q630 PolarHBondContact O-N 2.88Å
627R82.8Confident86.9Confident90 Ų9038.9 Ų38.934%0.3420%0.199SC..Hα-helixtrans-67-43.6172.7-170.8179.2-177.9-174.31.8112S78 F623 D624 L629 Q630 N631S78-R627 VanDerWaalsContact CA-NH2 3.34Å; S78-R627 VanDerWaalsContact CB-NH2 3.27Å; S78-R627 PolarHBondContact OG-NH2 3.08Å; F623-R627 PolarHBondContact O-N 3.3Å; D624-R627 PolarHBondContact O-N 3.12Å; R627-L629 VanDerWaalsContact C-N 3.34Å; R627-L629 PolarHBondContact O-N 3.37Å; R627-Q630 PolarHBondContact O-N 3.38Å; R627-N631 PolarHBondContact O-N 3.08Å; R627-N631 VanDerWaalsContact O-N 3.13Å; R627-N631 PolarHBondContact O-ND2 2.94Å
628W86.4Confident87.3Confident27 Ų2738.7 Ų38.710%0.10219%0.193CC..Hα-helixtrans-58.4-45.7173.3177.796.8000111.5V530 A533 L534 D624 R625 Q630 N631 F632V530-W628 HydrophobicContact CB-CZ2 4.02Å; V530-W628 HydrophobicContact CG1-CH2 4.15Å; V530-W628 HydrophobicContact CG1-CZ2 3.98Å; V530-W628 HydrophobicContact CG2-CZ2 3.77Å; A533-W628 HydrophobicContact CB-CD2 3.78Å; A533-W628 HydrophobicContact CB-CE3 3.86Å; A533-W628 HydrophobicContact CB-CG 4.25Å; A533-W628 HydrophobicContact CB-CZ2 4.42Å; A533-W628 HydrophobicContact CB-CZ3 4.25Å; L534-W628 HydrophobicContact CD1-CH2 4.18Å; L534-W628 HydrophobicContact CD2-CH2 4.18Å; L534-W628 HydrophobicContact CD2-CZ3 3.87Å; L534-W628 HydrophobicContact CG-CH2 4.06Å; L534-W628 HydrophobicContact CG-CZ3 4.16Å; D624-W628 PolarHBondContact O-N 3.13Å; R625-W628 PolarHBondContact O-N 2.76Å; W628-Q630 PolarHBondContact O-N 3.44Å; W628-N631 WeakPolarHBondContact O-CB 3.39Å; W628-N631 PolarHBondContact O-N 3.05Å; W628-F632 HydrophobicContact CE3-CB 4.49Å; W628-F632 HydrophobicContact CH2-CB 4.13Å; W628-F632 AromaticContact CH2-CD2 3.66Å; W628-F632 HydrophobicContact CH2-CD2 3.66Å; W628-F632 HydrophobicContact CH2-CE2 4.25Å; W628-F632 AromaticContact CH2-CG 3.9Å; W628-F632 HydrophobicContact CH2-CG 3.9Å; W628-F632 HydrophobicContact CZ2-CB 4.36Å; W628-F632 AromaticContact CZ2-CD2 3.73Å; W628-F632 HydrophobicContact CZ2-CD2 3.73Å; W628-F632 HydrophobicContact CZ2-CE2 4.42Å; W628-F632 HydrophobicContact CZ2-CG 4.28Å; W628-F632 HydrophobicContact CZ3-CB 4.21Å; W628-F632 HydrophobicContact CZ3-CG 4.34Å; W628-F632 PolarHBondContact O-N 3.27Å
629L88.2Confident87.5Confident22 Ų2238.7 Ų38.712%0.11519%0.193CC..Hα-helixtrans-63.1-43.2-179.8179.262.2000112.5W148 A151 L155 R625 Q626 R627 N631 F632 Q633W148-L629 HydrophobicContact CH2-CB 4.02Å; W148-L629 HydrophobicContact CH2-CD2 3.85Å; W148-L629 HydrophobicContact CH2-CG 4.46Å; W148-L629 HydrophobicContact CZ3-CB 4.35Å; W148-L629 HydrophobicContact CZ3-CD2 3.74Å; A151-L629 HydrophobicContact CB-CD2 3.88Å; L155-L629 HydrophobicContact CB-CD1 4.1Å; L155-L629 HydrophobicContact CD1-CD1 3.96Å; L155-L629 HydrophobicContact CD2-CD1 3.68Å; L155-L629 HydrophobicContact CG-CD1 4.11Å; R625-L629 VanDerWaalsContact O-CB 3.25Å; R625-L629 WeakPolarHBondContact O-CB 3.33Å; R625-L629 PolarHBondContact O-N 3.4Å; Q626-L629 PolarHBondContact O-N 2.82Å; R627-L629 VanDerWaalsContact C-N 3.34Å; R627-L629 PolarHBondContact O-N 3.37Å; L629-N631 VanDerWaalsContact C-N 3.32Å; L629-N631 PolarHBondContact O-N 3.3Å; L629-F632 PolarHBondContact O-N 2.9Å; L629-Q633 VanDerWaalsContact O-CB 3.28Å; L629-Q633 WeakPolarHBondContact O-CB 3.29Å; L629-Q633 PolarHBondContact O-N 3.46Å
630Q85Confident87.8Confident36 Ų3638.6 Ų38.617%0.16819%0.19CC..Hα-helixtrans-60.9-41.3174.7-73.5172.244.600111.5T76 Q626 R627 W628 S634T76-Q630 PolarHBondContact O-OE1 2.95Å; T76-Q630 PolarHBondContact OG1-NE2 2.97Å; T76-Q630 PolarHBondContact OG1-OE1 3.04Å; Q626-Q630 VanDerWaalsContact O-CG 3.29Å; Q626-Q630 WeakPolarHBondContact O-CG 3.5Å; Q626-Q630 PolarHBondContact O-N 2.88Å; R627-Q630 PolarHBondContact O-N 3.38Å; W628-Q630 PolarHBondContact O-N 3.44Å; Q630-S634 VanDerWaalsContact O-CB 3.3Å; Q630-S634 WeakPolarHBondContact O-CB 3.09Å; Q630-S634 PolarHBondContact O-N 3.29Å
631N85.1Confident88.2Confident79 Ų7937.4 Ų37.442%0.42219%0.188SC..Hα-helixtrans-66.5-44.6176.3-71.3-24.5000112.3L511 R627 W628 L629 S634 E635L511-N631 HydrophobicContact CD1-CB 3.82Å; R627-N631 PolarHBondContact O-N 3.08Å; R627-N631 VanDerWaalsContact O-N 3.13Å; R627-N631 PolarHBondContact O-ND2 2.94Å; W628-N631 WeakPolarHBondContact O-CB 3.39Å; W628-N631 PolarHBondContact O-N 3.05Å; L629-N631 VanDerWaalsContact C-N 3.32Å; L629-N631 PolarHBondContact O-N 3.3Å; N631-S634 WeakPolarHBondContact O-CB 3.26Å; N631-S634 PolarHBondContact O-N 2.85Å; N631-E635 PolarHBondContact O-N 2.81Å
632F88.5Confident88.7Confident2 Ų236.4 Ų36.41%0.00918%0.183CC..Hα-helixtrans-60.6-46.8176.8-175.6-83.3000111.6L155 L425 V429 L511 W628 L629 S634 E635 L636L155-F632 HydrophobicContact CD1-CD1 3.86Å; L155-F632 HydrophobicContact CD1-CE1 4.04Å; L425-F632 HydrophobicContact CB-CE2 4.44Å; L425-F632 HydrophobicContact CB-CZ 4.01Å; L425-F632 HydrophobicContact CD2-CE2 3.81Å; L425-F632 HydrophobicContact CD2-CZ 4.24Å; V429-F632 HydrophobicContact CG2-CE1 3.55Å; V429-F632 HydrophobicContact CG2-CZ 3.65Å; L511-F632 HydrophobicContact CD1-CB 4.44Å; W628-F632 HydrophobicContact CE3-CB 4.49Å; W628-F632 HydrophobicContact CH2-CB 4.13Å; W628-F632 AromaticContact CH2-CD2 3.66Å; W628-F632 HydrophobicContact CH2-CD2 3.66Å; W628-F632 HydrophobicContact CH2-CE2 4.25Å; W628-F632 AromaticContact CH2-CG 3.9Å; W628-F632 HydrophobicContact CH2-CG 3.9Å; W628-F632 HydrophobicContact CZ2-CB 4.36Å; W628-F632 AromaticContact CZ2-CD2 3.73Å; W628-F632 HydrophobicContact CZ2-CD2 3.73Å; W628-F632 HydrophobicContact CZ2-CE2 4.42Å; W628-F632 HydrophobicContact CZ2-CG 4.28Å; W628-F632 HydrophobicContact CZ3-CB 4.21Å; W628-F632 HydrophobicContact CZ3-CG 4.34Å; W628-F632 PolarHBondContact O-N 3.27Å; L629-F632 PolarHBondContact O-N 2.9Å; F632-S634 VanDerWaalsContact C-N 3.32Å; F632-S634 PolarHBondContact O-N 3.12Å; F632-E635 PolarHBondContact O-N 3.44Å; F632-L636 HydrophobicContact CE1-CD1 4.04Å; F632-L636 WeakPolarHBondContact O-CB 3.44Å; F632-L636 PolarHBondContact O-N 2.97Å
633Q88.1Confident89.1Confident31 Ų3136.3 Ų36.315%0.14518%0.182CC..Hα-helixtrans-66.4-33.3178.3-176.554.484.200112.3V158 L629 N637V158-Q633 VanDerWaalsContact CG1-OE1 3.27Å; L629-Q633 VanDerWaalsContact O-CB 3.28Å; L629-Q633 WeakPolarHBondContact O-CB 3.29Å; L629-Q633 PolarHBondContact O-N 3.46Å; Q633-N637 PolarHBondContact NE2-ND2 2.68Å; Q633-N637 PolarHBondContact NE2-OD1 2.98Å; Q633-N637 VanDerWaalsContact NE2-OD1 3.15Å; Q633-N637 WeakPolarHBondContact O-CB 3.43Å; Q633-N637 VanDerWaalsContact O-CG 3.24Å; Q633-N637 PolarHBondContact O-N 3.44Å; Q633-N637 VanDerWaalsContact O-N 3.11Å; Q633-N637 PolarHBondContact O-ND2 3.38Å
634S87.1Confident89.6Confident71 Ų7137.2 Ų37.250%0.49719%0.187SC..Hα-helixtrans-64-46.5172-174.20000111.9Q630 N631 F632 N637 R638Q630-S634 VanDerWaalsContact O-CB 3.3Å; Q630-S634 WeakPolarHBondContact O-CB 3.09Å; Q630-S634 PolarHBondContact O-N 3.29Å; N631-S634 WeakPolarHBondContact O-CB 3.26Å; N631-S634 PolarHBondContact O-N 2.85Å; F632-S634 VanDerWaalsContact C-N 3.32Å; F632-S634 PolarHBondContact O-N 3.12Å; S634-N637 PolarHBondContact O-N 3.42Å; S634-R638 WeakPolarHBondContact O-CB 3.48Å; S634-R638 PolarHBondContact O-N 3Å
635E89.5Confident90.1Very high17 Ų1738 Ų388%0.07918%0.183CC..Hα-helixtrans-63.7-43.2178.2175.761.1-173.600112.3R421 L425 N631 F632 N637 R638 L639R421-E635 IonicContact CZ-OE1 2.61Å; R421-E635 VanDerWaalsContact CZ-OE1 3.31Å; R421-E635 IonicContact NE-OE1 3.53Å; R421-E635 PolarHBondContact NE-OE1 3.38Å; R421-E635 IonicContact NH2-OE1 3.18Å; R421-E635 PolarHBondContact NH2-OE1 3.01Å; L425-E635 HydrophobicContact CD1-CG 3.83Å; N631-E635 PolarHBondContact O-N 2.81Å; F632-E635 PolarHBondContact O-N 3.44Å; E635-N637 VanDerWaalsContact C-N 3.33Å; E635-N637 PolarHBondContact O-N 3.19Å; E635-R638 VanDerWaalsContact CD-NH2 3.32Å; E635-R638 WeakPolarHBondContact O-CB 3.37Å; E635-R638 PolarHBondContact O-N 3.13Å; E635-R638 IonicContact OE1-CZ 3.75Å; E635-R638 IonicContact OE1-NE 2.7Å; E635-R638 IonicContact OE1-NH2 3.15Å; E635-R638 PolarHBondContact OE1-NH2 3.21Å; E635-R638 IonicContact OE2-CZ 3.49Å; E635-R638 IonicContact OE2-NE 2.72Å; E635-R638 PolarHBondContact OE2-NE 3.44Å; E635-R638 IonicContact OE2-NH2 2.9Å; E635-R638 PolarHBondContact OE2-NH2 2.86Å; E635-R638 VanDerWaalsContact OE2-NH2 3.12Å; E635-L639 HydrophobicContact CG-CD1 4.16Å; E635-L639 WeakPolarHBondContact O-CG 3.39Å; E635-L639 PolarHBondContact O-N 3.21Å; E635-L639 WeakPolarHBondContact OE1-CD1 3.31Å
636L91.3Very high90.5Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-59.3-43175.5-172.2153.4000111.5V158 A159 T162 L422 I426 F632 D640V158-L636 HydrophobicContact CG1-CD2 4.4Å; A159-L636 HydrophobicContact CB-CD1 4.37Å; T162-L636 HydrophobicContact CG2-CD2 3.77Å; L422-L636 HydrophobicContact CD1-CG 3.99Å; I426-L636 HydrophobicContact CG1-CD1 4.42Å; F632-L636 HydrophobicContact CE1-CD1 4.04Å; F632-L636 WeakPolarHBondContact O-CB 3.44Å; F632-L636 PolarHBondContact O-N 2.97Å; L636-D640 PolarHBondContact O-N 2.92Å
637N90.7Very high91Very high60 Ų6038.1 Ų38.132%0.32119%0.185SC..Hα-helixtrans-68.6-37.7174.9-73.1-20.5000112.6Q633 S634 E635 L639 A641Q633-N637 PolarHBondContact NE2-ND2 2.68Å; Q633-N637 PolarHBondContact NE2-OD1 2.98Å; Q633-N637 VanDerWaalsContact NE2-OD1 3.15Å; Q633-N637 WeakPolarHBondContact O-CB 3.43Å; Q633-N637 VanDerWaalsContact O-CG 3.24Å; Q633-N637 PolarHBondContact O-N 3.44Å; Q633-N637 VanDerWaalsContact O-N 3.11Å; Q633-N637 PolarHBondContact O-ND2 3.38Å; S634-N637 PolarHBondContact O-N 3.42Å; E635-N637 VanDerWaalsContact C-N 3.33Å; E635-N637 PolarHBondContact O-N 3.19Å; N637-L639 PolarHBondContact O-N 3.32Å; N637-A641 VanDerWaalsContact O-CB 3.29Å; N637-A641 WeakPolarHBondContact O-CB 3.36Å; N637-A641 PolarHBondContact O-N 3.15Å
638R94.7Very high91.5Very high81 Ų8140.3 Ų40.331%0.30619%0.194SC..Hα-helixtrans-60.8-44.7177.2-170.3-171.668.881.610.4111.1S634 E635 A641 I642S634-R638 WeakPolarHBondContact O-CB 3.48Å; S634-R638 PolarHBondContact O-N 3Å; E635-R638 VanDerWaalsContact CD-NH2 3.32Å; E635-R638 WeakPolarHBondContact O-CB 3.37Å; E635-R638 PolarHBondContact O-N 3.13Å; E635-R638 IonicContact OE1-CZ 3.75Å; E635-R638 IonicContact OE1-NE 2.7Å; E635-R638 IonicContact OE1-NH2 3.15Å; E635-R638 PolarHBondContact OE1-NH2 3.21Å; E635-R638 IonicContact OE2-CZ 3.49Å; E635-R638 IonicContact OE2-NE 2.72Å; E635-R638 PolarHBondContact OE2-NE 3.44Å; E635-R638 IonicContact OE2-NH2 2.9Å; E635-R638 PolarHBondContact OE2-NH2 2.86Å; E635-R638 VanDerWaalsContact OE2-NH2 3.12Å; R638-A641 PolarHBondContact O-N 3.46Å; R638-I642 HydrophobicContact CG-CD1 4.31Å; R638-I642 VanDerWaalsContact NH1-CD1 3.31Å; R638-I642 WeakPolarHBondContact O-CG1 3.4Å; R638-I642 PolarHBondContact O-N 2.84Å
639L94.4Very high91.9Very high0 Ų041 Ų410%020%0.196CC..Hα-helixtrans-69.3-45.1-179.9-71.3165.5000112.6Q418 R421 L422 L425 E635 N637 A641 I642 I643Q418-L639 VanDerWaalsContact OE1-CD2 3.3Å; R421-L639 HydrophobicContact CG-CD1 3.86Å; R421-L639 HydrophobicContact CG-CD2 4.28Å; L422-L639 HydrophobicContact CB-CB 4.22Å; L422-L639 HydrophobicContact CD1-CB 4.13Å; L425-L639 HydrophobicContact CD1-CD1 3.47Å; L425-L639 VanDerWaalsContact CD1-CD1 3.47Å; E635-L639 HydrophobicContact CG-CD1 4.16Å; E635-L639 WeakPolarHBondContact O-CG 3.39Å; E635-L639 PolarHBondContact O-N 3.21Å; E635-L639 WeakPolarHBondContact OE1-CD1 3.31Å; N637-L639 PolarHBondContact O-N 3.32Å; L639-A641 VanDerWaalsContact C-N 3.29Å; L639-A641 PolarHBondContact O-N 3.06Å; L639-I642 WeakPolarHBondContact O-CB 3.39Å; L639-I642 PolarHBondContact O-N 3.47Å; L639-I643 WeakPolarHBondContact O-CG1 3.49Å; L639-I643 PolarHBondContact O-N 3.36Å
640D94.9Very high92.3Very high12 Ų1240 Ų406%0.06419%0.191CC..Hα-helixtrans-59.3-41.8173.2-179.146000111T162 R165 L422 L636 I642 I643 Q644T162-D640 HydrophobicContact CG2-CB 3.98Å; R165-D640 IonicContact CZ-OD2 2.82Å; R165-D640 VanDerWaalsContact CZ-OD2 3.22Å; R165-D640 IonicContact NE-OD1 2.69Å; R165-D640 IonicContact NE-OD2 3.46Å; R165-D640 PolarHBondContact NE-OD2 2.91Å; R165-D640 IonicContact NH2-OD2 3.26Å; R165-D640 PolarHBondContact NH2-OD2 2.83Å; L422-D640 HydrophobicContact CD2-CB 4.19Å; L636-D640 PolarHBondContact O-N 2.92Å; D640-I642 VanDerWaalsContact C-N 3.29Å; D640-I642 PolarHBondContact O-N 3.12Å; D640-I643 PolarHBondContact O-N 2.94Å; D640-Q644 WeakPolarHBondContact O-CB 3.33Å; D640-Q644 VanDerWaalsContact O-CG 3.32Å; D640-Q644 WeakPolarHBondContact O-CG 3.38Å; D640-Q644 PolarHBondContact O-N 3.28Å; D640-Q644 PolarHBondContact OD1-NE2 3.03Å; D640-Q644 PolarHBondContact OD2-NE2 3.12Å
641A94.7Very high92.7Very high34 Ų3441.5 Ų41.528%0.28121%0.205SC..Hα-helixtrans-64.3-29.4174.800000113.4N637 R638 L639 R645N637-A641 VanDerWaalsContact O-CB 3.29Å; N637-A641 WeakPolarHBondContact O-CB 3.36Å; N637-A641 PolarHBondContact O-N 3.15Å; R638-A641 PolarHBondContact O-N 3.46Å; L639-A641 VanDerWaalsContact C-N 3.29Å; L639-A641 PolarHBondContact O-N 3.06Å; A641-R645 VanDerWaalsContact O-CG 3.3Å; A641-R645 WeakPolarHBondContact O-CG 3.21Å; A641-R645 PolarHBondContact O-N 3.26Å; A641-R645 PolarHBondContact O-NH1 2.85Å
642I95.6Very high92.9Very high21 Ų2142.4 Ų42.411%0.10820%0.202CC..Hα-helixtrans-72.6-48.4172.5-72.6164.2000110.2Y414 Q418 R638 L639 D640 Q644 R645 C646Y414-I642 HydrophobicContact CE1-CG2 4.42Å; Q418-I642 HydrophobicContact CB-CG2 4.41Å; Q418-I642 HydrophobicContact CG-CG2 3.9Å; R638-I642 HydrophobicContact CG-CD1 4.31Å; R638-I642 VanDerWaalsContact NH1-CD1 3.31Å; R638-I642 WeakPolarHBondContact O-CG1 3.4Å; R638-I642 PolarHBondContact O-N 2.84Å; L639-I642 WeakPolarHBondContact O-CB 3.39Å; L639-I642 PolarHBondContact O-N 3.47Å; D640-I642 VanDerWaalsContact C-N 3.29Å; D640-I642 PolarHBondContact O-N 3.12Å; I642-Q644 VanDerWaalsContact C-N 3.29Å; I642-Q644 PolarHBondContact O-N 3.02Å; I642-R645 WeakPolarHBondContact O-CA 3.45Å; I642-R645 WeakPolarHBondContact O-CB 3.47Å; I642-R645 PolarHBondContact O-N 3.42Å; I642-C646 PolarHBondContact O-N 3.04Å; I642-C646 PolarHBondContact O-SG 3.22Å
643I96Very high93.2Very high3 Ų342.3 Ų42.32%0.01520%0.202CC..Hα-helixtrans-60.8-38.7178.9-69.2161.1000111.1L166 A169 Q418 T419 L422 L639 D640 R645 C646 L647L166-I643 HydrophobicContact CD1-CD1 4.24Å; A169-I643 HydrophobicContact CB-CG2 3.49Å; A169-I643 VanDerWaalsContact CB-CG2 3.49Å; Q418-I643 HydrophobicContact CB-CG1 4.21Å; T419-I643 HydrophobicContact CG2-CD1 3.99Å; T419-I643 HydrophobicContact CG2-CG1 4.11Å; T419-I643 HydrophobicContact CG2-CG2 4.37Å; L422-I643 HydrophobicContact CB-CD1 3.92Å; L422-I643 HydrophobicContact CD2-CD1 3.52Å; L422-I643 HydrophobicContact CG-CD1 4.37Å; L639-I643 WeakPolarHBondContact O-CG1 3.49Å; L639-I643 PolarHBondContact O-N 3.36Å; D640-I643 PolarHBondContact O-N 2.94Å; I643-R645 VanDerWaalsContact C-N 3.35Å; I643-R645 PolarHBondContact O-N 2.9Å; I643-C646 WeakPolarHBondContact O-CB 3.48Å; I643-C646 PolarHBondContact O-N 3.29Å; I643-L647 HydrophobicContact CG2-CD1 4.39Å; I643-L647 WeakPolarHBondContact O-CG 3.44Å; I643-L647 PolarHBondContact O-N 3.03Å
644Q93.2Very high93.5Very high67 Ų6742.1 Ų42.131%0.31320%0.203SC..Hα-helixtrans-65.7-31172.2-71.9-173.64200113.8D640 I642 R648D640-Q644 WeakPolarHBondContact O-CB 3.33Å; D640-Q644 VanDerWaalsContact O-CG 3.32Å; D640-Q644 WeakPolarHBondContact O-CG 3.38Å; D640-Q644 PolarHBondContact O-N 3.28Å; D640-Q644 PolarHBondContact OD1-NE2 3.03Å; D640-Q644 PolarHBondContact OD2-NE2 3.12Å; I642-Q644 VanDerWaalsContact C-N 3.29Å; I642-Q644 PolarHBondContact O-N 3.02Å; Q644-R648 WeakPolarHBondContact O-CG 3.35Å; Q644-R648 PolarHBondContact O-N 2.88Å
645R93.6Very high93.6Very high112 Ų11240.6 Ų40.642%0.42319%0.19SC..Hα-helixtrans-68.3-42.4169.6-70.4169.8-174.1105.9-14.7110.6A641 I642 I643 R648 R649A641-R645 VanDerWaalsContact O-CG 3.3Å; A641-R645 WeakPolarHBondContact O-CG 3.21Å; A641-R645 PolarHBondContact O-N 3.26Å; A641-R645 PolarHBondContact O-NH1 2.85Å; I642-R645 WeakPolarHBondContact O-CA 3.45Å; I642-R645 WeakPolarHBondContact O-CB 3.47Å; I642-R645 PolarHBondContact O-N 3.42Å; I643-R645 VanDerWaalsContact C-N 3.35Å; I643-R645 PolarHBondContact O-N 2.9Å; R645-R648 PolarHBondContact O-N 3.31Å; R645-R649 PolarHBondContact O-N 2.91Å
646C95.9Very high93.6Very high1 Ų140.1 Ų40.11%0.00719%0.189CC..Hα-helixtrans-61.1-44175.3-63.90000112L390 V415 I642 I643 R648 R649 M650L390-C646 HydrophobicContact CD2-CB 3.72Å; V415-C646 HydrophobicContact CG1-CB 4.06Å; V415-C646 HydrophobicContact CG2-CB 4.11Å; I642-C646 PolarHBondContact O-N 3.04Å; I642-C646 PolarHBondContact O-SG 3.22Å; I643-C646 WeakPolarHBondContact O-CB 3.48Å; I643-C646 PolarHBondContact O-N 3.29Å; C646-R648 VanDerWaalsContact C-N 3.32Å; C646-R648 PolarHBondContact O-N 3.41Å; C646-R649 WeakPolarHBondContact O-CB 3.47Å; C646-R649 PolarHBondContact O-N 3.19Å; C646-R649 VanDerWaalsContact O-N 3.12Å; C646-M650 WeakPolarHBondContact O-CG 3.31Å; C646-M650 PolarHBondContact O-N 3.33Å
647L95Very high93.7Very high34 Ų3440.1 Ų40.118%0.17819%0.189CC..Hα-helixtrans-56.9-42173.5-77.2165.1000112.7A169 R172 I643 M650 C651A169-L647 HydrophobicContact CB-CD1 3.76Å; A169-L647 HydrophobicContact CB-CD2 4.37Å; A169-L647 HydrophobicContact CB-CG 4.33Å; R172-L647 HydrophobicContact CB-CD2 3.84Å; R172-L647 HydrophobicContact CG-CD2 3.91Å; I643-L647 HydrophobicContact CG2-CD1 4.39Å; I643-L647 WeakPolarHBondContact O-CG 3.44Å; I643-L647 PolarHBondContact O-N 3.03Å; L647-M650 HydrophobicContact CD2-CE 3.68Å; L647-M650 HydrophobicContact CG-CE 4.17Å; L647-C651 WeakPolarHBondContact O-CB 3.44Å; L647-C651 PolarHBondContact O-N 2.79Å
648R94Very high93.6Very high137 Ų13739.4 Ų39.452%0.51719%0.186SC..Hα-helixtrans-65.6-38.6175.1-74.6-175.4-74-95.91.5112.5Q644 R645 C646 R652Q644-R648 WeakPolarHBondContact O-CG 3.35Å; Q644-R648 PolarHBondContact O-N 2.88Å; R645-R648 PolarHBondContact O-N 3.31Å; C646-R648 VanDerWaalsContact C-N 3.32Å; C646-R648 PolarHBondContact O-N 3.41Å; R648-R652 WeakPolarHBondContact O-CG 3.41Å; R648-R652 PolarHBondContact O-N 2.85Å; R648-R652 VanDerWaalsContact O-N 3.08Å
649R94.8Very high93.3Very high40 Ų4035.6 Ų35.615%0.15117%0.172CC..Hα-helixtrans-63.3-52.7172.7-71.5-171.7165138.5-4111.8D386 L390 R645 C646 C651 R652 V653D386-R649 HydrophobicContact CB-CB 4.2Å; D386-R649 HydrophobicContact CB-CG 4.32Å; D386-R649 WeakPolarHBondContact OD1-CD 3.41Å; D386-R649 VanDerWaalsContact OD1-CG 3.3Å; D386-R649 WeakPolarHBondContact OD1-CG 3.49Å; D386-R649 IonicContact OD1-NE 2.73Å; D386-R649 PolarHBondContact OD1-NE 3.02Å; L390-R649 HydrophobicContact CD1-CB 4.02Å; L390-R649 HydrophobicContact CD2-CB 3.98Å; L390-R649 HydrophobicContact CG-CB 4.07Å; R645-R649 PolarHBondContact O-N 2.91Å; C646-R649 WeakPolarHBondContact O-CB 3.47Å; C646-R649 PolarHBondContact O-N 3.19Å; C646-R649 VanDerWaalsContact O-N 3.12Å; R649-C651 VanDerWaalsContact C-N 3.26Å; R649-C651 PolarHBondContact O-N 3.38Å; R649-R652 PolarHBondContact O-N 3.08Å; R649-V653 WeakPolarHBondContact O-CG2 3.26Å; R649-V653 PolarHBondContact O-N 3.36Å
650M95.9Very high93.2Very high3 Ų335.6 Ų35.62%0.01517%0.172CC..Hα-helixtrans-55.7-41.3177.6-68-169.6-65.800111.8L173 F176 L390 L412 C646 L647 T654L173-M650 HydrophobicContact CB-CE 4.41Å; L173-M650 HydrophobicContact CD1-CE 4.37Å; L173-M650 HydrophobicContact CD1-SD 3.7Å; F176-M650 HydrophobicContact CB-CB 4.49Å; F176-M650 HydrophobicContact CB-SD 3.95Å; F176-M650 HydrophobicContact CD1-CB 3.94Å; F176-M650 HydrophobicContact CD1-CG 3.45Å; F176-M650 VanDerWaalsContact CD1-CG 3.45Å; F176-M650 HydrophobicContact CD1-SD 3.47Å; F176-M650 WeakPolarHBondContact CD1-SD 3.47Å; F176-M650 HydrophobicContact CD2-CB 4.05Å; F176-M650 HydrophobicContact CD2-CG 4.47Å; F176-M650 HydrophobicContact CE1-CB 4.16Å; F176-M650 HydrophobicContact CE1-CG 3.65Å; F176-M650 HydrophobicContact CE1-SD 4.22Å; F176-M650 HydrophobicContact CE2-CB 4.25Å; F176-M650 WeakPolarHBondContact CE2-O 3.43Å; F176-M650 HydrophobicContact CG-CB 3.88Å; F176-M650 HydrophobicContact CG-CG 3.9Å; F176-M650 HydrophobicContact CG-SD 3.88Å; F176-M650 HydrophobicContact CZ-CB 4.3Å; F176-M650 HydrophobicContact CZ-CG 4.24Å; L390-M650 HydrophobicContact CD1-CB 4.47Å; L390-M650 HydrophobicContact CD1-CG 3.6Å; L390-M650 HydrophobicContact CD2-CG 3.84Å; L390-M650 HydrophobicContact CG-CG 4.39Å; L412-M650 HydrophobicContact CD1-SD 4.47Å; C646-M650 WeakPolarHBondContact O-CG 3.31Å; C646-M650 PolarHBondContact O-N 3.33Å; L647-M650 HydrophobicContact CD2-CE 3.68Å; L647-M650 HydrophobicContact CG-CE 4.17Å; M650-T654 WeakPolarHBondContact O-CB 3.37Å; M650-T654 PolarHBondContact O-N 3.44Å; M650-T654 PolarHBondContact O-OG1 3.01Å
651C92.6Very high93Very high66 Ų6636.4 Ų36.445%0.44618%0.179SC..Hα-helixtrans-62-47174.8-174.60000112.3L647 R649 T654 T655L647-C651 WeakPolarHBondContact O-CB 3.44Å; L647-C651 PolarHBondContact O-N 2.79Å; R649-C651 VanDerWaalsContact C-N 3.26Å; R649-C651 PolarHBondContact O-N 3.38Å; C651-T654 WeakPolarHBondContact O-CB 3.45Å; C651-T654 PolarHBondContact O-N 3.24Å; C651-T655 PolarHBondContact O-N 3.42Å; C651-T655 PolarHBondContact O-OG1 3.02Å
652R90.5Very high92.7Very high99 Ų9936.5 Ų36.537%0.37417%0.173SC..Hα-helixtrans-64-43.2178.1-75.3176.953.1-103.9-35.9112.4D386 R648 R649 T655 T656D386-R652 IonicContact OD1-NH1 3.13Å; D386-R652 IonicContact OD2-CZ 2.83Å; D386-R652 IonicContact OD2-NH1 2.68Å; D386-R652 PolarHBondContact OD2-NH1 2.97Å; D386-R652 IonicContact OD2-NH2 3.33Å; D386-R652 PolarHBondContact OD2-NH2 3.23Å; R648-R652 WeakPolarHBondContact O-CG 3.41Å; R648-R652 PolarHBondContact O-N 2.85Å; R648-R652 VanDerWaalsContact O-N 3.08Å; R649-R652 PolarHBondContact O-N 3.08Å; R652-T655 PolarHBondContact O-N 3.49Å; R652-T656 PolarHBondContact O-N 3.04Å; R652-T656 PolarHBondContact O-OG1 3.45Å; R652-T656 VanDerWaalsContact O-OG1 3.12Å
653V94.9Very high92.4Very high0 Ų035.5 Ų35.50%017%0.169CC..Hα-helixtrans-60.2-47172.9177.20000111.2F176 W183 A383 D386 I387 R649 T655 T656 G657F176-V653 HydrophobicContact CE2-CB 3.91Å; F176-V653 HydrophobicContact CE2-CG1 3.84Å; F176-V653 HydrophobicContact CZ-CB 3.81Å; F176-V653 HydrophobicContact CZ-CG1 3.7Å; F176-V653 HydrophobicContact CZ-CG2 4.43Å; W183-V653 HydrophobicContact CB-CG1 4.27Å; A383-V653 WeakPolarHBondContact O-CG2 3.3Å; D386-V653 HydrophobicContact CB-CG2 3.69Å; I387-V653 HydrophobicContact CD1-CG1 3.73Å; I387-V653 HydrophobicContact CG1-CB 4.38Å; I387-V653 HydrophobicContact CG1-CG1 3.61Å; I387-V653 HydrophobicContact CG1-CG2 3.83Å; R649-V653 WeakPolarHBondContact O-CG2 3.26Å; R649-V653 PolarHBondContact O-N 3.36Å; V653-T655 VanDerWaalsContact C-N 3.27Å; V653-T655 PolarHBondContact O-N 3.11Å; V653-T656 PolarHBondContact O-N 3.4Å; V653-G657 PolarHBondContact O-N 3.41Å
654T93.9Very high92.1Very high27 Ų2739 Ų3917%0.16619%0.187CC..Hα-helixtrans-56.1-44.7177.2-54.20000110.7F176 M650 C651 G657 T658F176-T654 WeakPolarHBondContact CD2-OG1 3.14Å; M650-T654 WeakPolarHBondContact O-CB 3.37Å; M650-T654 PolarHBondContact O-N 3.44Å; M650-T654 PolarHBondContact O-OG1 3.01Å; C651-T654 WeakPolarHBondContact O-CB 3.45Å; C651-T654 PolarHBondContact O-N 3.24Å; T654-G657 PolarHBondContact O-N 3.22Å; T654-T658 WeakPolarHBondContact O-CG2 3.47Å; T654-T658 PolarHBondContact O-N 3.32Å; T654-T658 PolarHBondContact O-OG1 3.39Å
655T89.1Confident91.8Very high38 Ų3840.6 Ų40.623%0.23320%0.195CC..Hα-helixtrans-69.6-47-175.5-40.10000111.1Y266 C651 R652 V653 G657 T658 L659Y266-T655 HydrophobicContact CD1-CG2 4.13Å; Y266-T655 WeakPolarHBondContact O-CG2 3.44Å; C651-T655 PolarHBondContact O-N 3.42Å; C651-T655 PolarHBondContact O-OG1 3.02Å; R652-T655 PolarHBondContact O-N 3.49Å; V653-T655 VanDerWaalsContact C-N 3.27Å; V653-T655 PolarHBondContact O-N 3.11Å; T655-G657 VanDerWaalsContact C-N 3.34Å; T655-G657 PolarHBondContact O-N 3.28Å; T655-T658 PolarHBondContact O-N 3.43Å; T655-T658 PolarHBondContact O-OG1 3.37Å; T655-L659 PolarHBondContact O-N 2.9Å
656T90.7Very high91.6Very high8 Ų835.2 Ų35.25%0.04917%0.174CC..Hα-helixtrans-59.5-44173.5-510000111.4L187 I379 A383 R652 V653 T658 L659 I660L187-T656 HydrophobicContact CD2-CG2 3.89Å; I379-T656 HydrophobicContact CG2-CG2 3.81Å; A383-T656 HydrophobicContact CB-CG2 3.95Å; R652-T656 PolarHBondContact O-N 3.04Å; R652-T656 PolarHBondContact O-OG1 3.45Å; R652-T656 VanDerWaalsContact O-OG1 3.12Å; V653-T656 PolarHBondContact O-N 3.4Å; T656-T658 PolarHBondContact O-N 2.7Å; T656-L659 WeakPolarHBondContact O-CB 3.46Å; T656-L659 PolarHBondContact O-N 3.07Å; T656-L659 VanDerWaalsContact O-N 3.16Å; T656-I660 WeakPolarHBondContact O-CG1 3.36Å; T656-I660 PolarHBondContact O-N 3.21Å
657G92Very high91.3Very high0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-58.7-45.417600000112.7W183 V653 T654 T655 L659 I660 S661W183-G657 WeakPolarHBondContact CZ3-O 3.46Å; V653-G657 PolarHBondContact O-N 3.41Å; T654-G657 PolarHBondContact O-N 3.22Å; T655-G657 VanDerWaalsContact C-N 3.34Å; T655-G657 PolarHBondContact O-N 3.28Å; G657-L659 VanDerWaalsContact C-N 3.31Å; G657-L659 PolarHBondContact O-N 3.05Å; G657-I660 PolarHBondContact O-N 3.28Å; G657-S661 PolarHBondContact O-N 2.77Å
658T89.7Confident91Very high44 Ų4435.8 Ų35.827%0.2718%0.181SC..Hα-helixtrans-63.2-35.4175.3550000112.8W183 T654 T655 T656 S661 Q662W183-T658 HydrophobicContact CH2-CG2 3.77Å; W183-T658 HydrophobicContact CZ2-CG2 3.97Å; T654-T658 WeakPolarHBondContact O-CG2 3.47Å; T654-T658 PolarHBondContact O-N 3.32Å; T654-T658 PolarHBondContact O-OG1 3.39Å; T655-T658 PolarHBondContact O-N 3.43Å; T655-T658 PolarHBondContact O-OG1 3.37Å; T656-T658 PolarHBondContact O-N 2.7Å; T658-S661 PolarHBondContact O-N 3.22Å; T658-Q662 WeakPolarHBondContact O-CG 3.41Å; T658-Q662 PolarHBondContact O-N 3.26Å
659L89Confident90.8Very high1 Ų129.9 Ų29.91%0.00516%0.161CC..Hα-helixtrans-63-49.6173.5178.262.6000111.1L267 F376 T655 T656 G657 S661 Q662 L663 V720L267-L659 HydrophobicContact CD2-CD2 3.53Å; L267-L659 HydrophobicContact CG-CD2 4.21Å; F376-L659 HydrophobicContact CE2-CD2 4.1Å; T655-L659 PolarHBondContact O-N 2.9Å; T656-L659 WeakPolarHBondContact O-CB 3.46Å; T656-L659 PolarHBondContact O-N 3.07Å; T656-L659 VanDerWaalsContact O-N 3.16Å; G657-L659 VanDerWaalsContact C-N 3.31Å; G657-L659 PolarHBondContact O-N 3.05Å; L659-S661 VanDerWaalsContact C-N 3.29Å; L659-S661 PolarHBondContact O-N 2.76Å; L659-Q662 PolarHBondContact O-N 3.05Å; L659-Q662 VanDerWaalsContact O-N 3.15Å; L659-L663 HydrophobicContact CD1-CD1 4.28Å; L659-L663 HydrophobicContact CD1-CG 4.42Å; L659-L663 HydrophobicContact CG-CD1 4.05Å; L659-L663 VanDerWaalsContact O-CG 3.3Å; L659-L663 WeakPolarHBondContact O-CG 3.5Å; L659-L663 PolarHBondContact O-N 3.5Å; L659-V720 HydrophobicContact CD1-CB 4.2Å; L659-V720 HydrophobicContact CD1-CG2 3.73Å
660I91.1Very high90.6Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-58.1-41.9175.3-59.8-51.6000110.9K186 L187 F190 L193 F376 I380 T656 G657 Q662 L663 N664K186-I660 HydrophobicContact CB-CG2 3.98Å; L187-I660 HydrophobicContact CD2-CG1 4.11Å; F190-I660 HydrophobicContact CD2-CD1 3.95Å; F190-I660 HydrophobicContact CE2-CD1 4.14Å; L193-I660 HydrophobicContact CD2-CD1 4.41Å; L193-I660 HydrophobicContact CD2-CG2 3.96Å; F376-I660 HydrophobicContact CZ-CD1 4.13Å; I380-I660 HydrophobicContact CD1-CD1 4.26Å; I380-I660 HydrophobicContact CG1-CD1 4.4Å; T656-I660 WeakPolarHBondContact O-CG1 3.36Å; T656-I660 PolarHBondContact O-N 3.21Å; G657-I660 PolarHBondContact O-N 3.28Å; I660-Q662 VanDerWaalsContact C-N 3.35Å; I660-Q662 PolarHBondContact O-N 2.69Å; I660-L663 HydrophobicContact CD1-CD1 4.29Å; I660-L663 WeakPolarHBondContact O-CB 3.38Å; I660-L663 PolarHBondContact O-N 3.45Å; I660-L663 VanDerWaalsContact O-N 3.08Å; I660-N664 PolarHBondContact O-N 2.89Å; I660-N664 PolarHBondContact O-OD1 3.38Å
661S90.4Very high90.3Very high30 Ų3027.9 Ų27.921%0.2115%0.153CC..Hα-helixtrans-64.4-35.1177.5-144.80000113.7K186 G657 T658 L659 L663 E665K186-S661 PolarHBondContact NZ-OG 2.87Å; G657-S661 PolarHBondContact O-N 2.77Å; T658-S661 PolarHBondContact O-N 3.22Å; L659-S661 VanDerWaalsContact C-N 3.29Å; L659-S661 PolarHBondContact O-N 2.76Å; S661-L663 VanDerWaalsContact C-N 3.32Å; S661-E665 PolarHBondContact O-N 2.95Å
662Q88.8Confident90.1Very high35 Ų3528 Ų2816%0.16414%0.144CC..Hα-helixtrans-71.5-29.4173.1-71.4-171.26.300112.5Y266 T658 L659 I660 E665 A666 N718 V720Y266-Q662 PolarHBondContact OH-NE2 3.16Å; Y266-Q662 VanDerWaalsContact OH-NE2 3.1Å; T658-Q662 WeakPolarHBondContact O-CG 3.41Å; T658-Q662 PolarHBondContact O-N 3.26Å; L659-Q662 PolarHBondContact O-N 3.05Å; L659-Q662 VanDerWaalsContact O-N 3.15Å; I660-Q662 VanDerWaalsContact C-N 3.35Å; I660-Q662 PolarHBondContact O-N 2.69Å; Q662-E665 CarbonylContact O-C 3.5Å; Q662-E665 PolarHBondContact O-N 3.36Å; Q662-A666 PolarHBondContact O-N 3.01Å; Q662-A666 VanDerWaalsContact O-N 3.1Å; Q662-N718 PolarHBondContact NE2-O 2.92Å; Q662-V720 HydrophobicContact CB-CG1 4.17Å
663L89.4Confident90Very high1 Ų123.3 Ų23.31%0.00513%0.126CC..Hα-helixtrans-72.8-38.8176.1-70.8171.3000111.9L193 L197 V235 F376 L659 I660 S661 E665 A666 V720L193-L663 HydrophobicContact CD1-CB 4.14Å; L193-L663 HydrophobicContact CD2-CB 3.75Å; L193-L663 HydrophobicContact CD2-CD1 4.5Å; L193-L663 HydrophobicContact CG-CB 4.46Å; L197-L663 HydrophobicContact CD1-CB 4.24Å; L197-L663 HydrophobicContact CD1-CD2 4.14Å; V235-L663 HydrophobicContact CB-CD2 4.46Å; V235-L663 HydrophobicContact CG1-CD1 3.95Å; V235-L663 HydrophobicContact CG1-CD2 4.04Å; V235-L663 HydrophobicContact CG2-CD2 3.57Å; F376-L663 HydrophobicContact CE1-CD1 4.46Å; F376-L663 HydrophobicContact CZ-CD1 3.73Å; L659-L663 HydrophobicContact CD1-CD1 4.28Å; L659-L663 HydrophobicContact CD1-CG 4.42Å; L659-L663 HydrophobicContact CG-CD1 4.05Å; L659-L663 VanDerWaalsContact O-CG 3.3Å; L659-L663 WeakPolarHBondContact O-CG 3.5Å; L659-L663 PolarHBondContact O-N 3.5Å; I660-L663 HydrophobicContact CD1-CD1 4.29Å; I660-L663 WeakPolarHBondContact O-CB 3.38Å; I660-L663 PolarHBondContact O-N 3.45Å; I660-L663 VanDerWaalsContact O-N 3.08Å; S661-L663 VanDerWaalsContact C-N 3.32Å; L663-E665 PolarHBondContact O-N 3.49Å; L663-A666 WeakPolarHBondContact O-CB 3.18Å; L663-A666 PolarHBondContact O-N 2.9Å; L663-V720 HydrophobicContact CD2-CG1 4.04Å; L663-V720 HydrophobicContact CD2-CG2 4.33Å
664N88.7Confident89.7Confident76 Ų7623.4 Ų23.441%0.40613%0.126SC..Hα-helixtrans-58.1-30.5169.2-69.632.9000112.3I660I660-N664 PolarHBondContact O-N 2.89Å; I660-N664 PolarHBondContact O-OD1 3.38Å
665E87.9Confident89.4Confident100 Ų10022.3 Ų22.347%0.46712%0.121SC..THydrogen-bonded Turntrans-91.92174.7-68.3-175-16100113.7S661 Q662 L663 T669S661-E665 PolarHBondContact O-N 2.95Å; Q662-E665 CarbonylContact O-C 3.5Å; Q662-E665 PolarHBondContact O-N 3.36Å; L663-E665 PolarHBondContact O-N 3.49Å; E665-T669 VanDerWaalsContact O-CB 3.31Å; E665-T669 WeakPolarHBondContact O-CB 3.39Å; E665-T669 PolarHBondContact O-N 3.1Å; E665-T669 PolarHBondContact O-OG1 2.95Å
666A88.7Confident89.3Confident0 Ų021.4 Ų21.40%011%0.114CC..Hα-helixtrans-69.7-41.6-172.900000112.5L197 L231 Q662 L663 T669 Y670 L721L197-A666 HydrophobicContact CD2-CB 3.99Å; L231-A666 HydrophobicContact CD2-CB 4.14Å; Q662-A666 PolarHBondContact O-N 3.01Å; Q662-A666 VanDerWaalsContact O-N 3.1Å; L663-A666 WeakPolarHBondContact O-CB 3.18Å; L663-A666 PolarHBondContact O-N 2.9Å; A666-T669 CarbonylContact O-C 3.58Å; A666-T669 PolarHBondContact O-N 3.38Å; A666-T669 VanDerWaalsContact O-N 3.14Å; A666-Y670 WeakPolarHBondContact O-CB 3.3Å; A666-Y670 PolarHBondContact O-N 3.17Å; A666-L721 HydrophobicContact CB-CD1 4.13Å; A666-L721 HydrophobicContact CB-CD2 4.5Å; A666-L721 HydrophobicContact CB-CG 4.49Å
667G89.6Confident89Confident7 Ų721.3 Ų21.37%0.07211%0.113CC..Hα-helixtrans-55.7-54.3178.400000113.6T669 Y670 A671G667-T669 VanDerWaalsContact C-N 3.29Å; G667-T669 PolarHBondContact O-N 2.99Å; G667-Y670 PolarHBondContact O-N 3.33Å; G667-A671 PolarHBondContact O-N 2.84Å; G667-A671 VanDerWaalsContact O-N 3.11Å
668P89.7Confident88.7Confident39 Ų3921.3 Ų21.325%0.25311%0.113SC..Hα-helixtrans-61.9-32.7174-26.936.5000114.1R672 I954 L957P668-R672 WeakPolarHBondContact O-CG 3.5Å; P668-R672 PolarHBondContact O-N 3.33Å; P668-I954 HydrophobicContact CG-CD1 4.17Å; P668-L957 HydrophobicContact CB-CD2 3.75Å; P668-L957 HydrophobicContact CG-CD2 4.46Å
669T89.4Confident88.6Confident14 Ų1419.8 Ų19.89%0.08610%0.102CC..Hα-helixtrans-74-39.8178.6-57.60000111.7E665 A666 G667 R672 C673 L721E665-T669 VanDerWaalsContact O-CB 3.31Å; E665-T669 WeakPolarHBondContact O-CB 3.39Å; E665-T669 PolarHBondContact O-N 3.1Å; E665-T669 PolarHBondContact O-OG1 2.95Å; A666-T669 CarbonylContact O-C 3.58Å; A666-T669 PolarHBondContact O-N 3.38Å; A666-T669 VanDerWaalsContact O-N 3.14Å; G667-T669 VanDerWaalsContact C-N 3.29Å; G667-T669 PolarHBondContact O-N 2.99Å; T669-R672 PolarHBondContact O-N 3.23Å; T669-C673 PolarHBondContact O-N 3.46Å; T669-C673 PolarHBondContact O-SG 3.31Å; T669-L721 HydrophobicContact CG2-CD1 4.07Å
670Y90.6Very high88.3Confident0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-60.4-47.1175.7-179.5-110000111.3L200 P201 L202 P203 L206 L231 A666 G667 R672 C673 L674 L724 F725 M950L200-Y670 HydrophobicContact CD2-CD1 4.49Å; P201-Y670 PolarHBondContact O-OH 3.24Å; L202-Y670 HydrophobicContact CD2-CE2 3.88Å; P203-Y670 WeakPolarHBondContact CD-OH 3.17Å; L206-Y670 HydrophobicContact CD1-CE2 4.21Å; L231-Y670 HydrophobicContact CD2-CD2 4.29Å; L231-Y670 HydrophobicContact CD2-CG 4.27Å; A666-Y670 WeakPolarHBondContact O-CB 3.3Å; A666-Y670 PolarHBondContact O-N 3.17Å; G667-Y670 PolarHBondContact O-N 3.33Å; Y670-R672 PolarHBondContact O-N 3.21Å; Y670-C673 WeakPolarHBondContact O-CB 3.33Å; Y670-C673 PolarHBondContact O-N 2.86Å; Y670-C673 VanDerWaalsContact O-N 3.12Å; Y670-L674 HydrophobicContact CD1-CD1 4.03Å; Y670-L674 HydrophobicContact CE1-CD1 3.59Å; Y670-L674 HydrophobicContact CE1-CG 4.47Å; Y670-L674 HydrophobicContact CE2-CD1 4.48Å; Y670-L674 PolarHBondContact O-N 3.48Å; Y670-L724 HydrophobicContact CD2-CD2 4.48Å; Y670-L724 HydrophobicContact CE2-CD2 4.23Å; Y670-F725 AromaticContact CD2-CE2 3.72Å; Y670-F725 HydrophobicContact CD2-CE2 3.72Å; Y670-F725 AromaticContact CD2-CZ 3.5Å; Y670-F725 HydrophobicContact CD2-CZ 3.5Å; Y670-F725 HydrophobicContact CE2-CE2 4.25Å; Y670-F725 AromaticContact CE2-CZ 3.67Å; Y670-F725 HydrophobicContact CE2-CZ 3.67Å; Y670-M950 HydrophobicContact CE1-SD 4.44Å
671A89.5Confident87.8Confident0 Ų021.4 Ų21.40%011%0.111CC..Hα-helixtrans-57.3-45.3172.900000112.7G667 C673 L674 A675 I954 L957 L958G667-A671 PolarHBondContact O-N 2.84Å; G667-A671 VanDerWaalsContact O-N 3.11Å; A671-C673 VanDerWaalsContact C-N 3.3Å; A671-C673 PolarHBondContact O-N 3.31Å; A671-L674 PolarHBondContact O-N 3.02Å; A671-A675 WeakPolarHBondContact O-CB 3.23Å; A671-A675 PolarHBondContact O-N 2.83Å; A671-I954 HydrophobicContact CB-CG2 4.01Å; A671-L957 HydrophobicContact CB-CD2 4.46Å; A671-L958 HydrophobicContact CB-CB 4.1Å; A671-L958 HydrophobicContact CB-CD1 4.27Å; A671-L958 VanDerWaalsContact O-CD1 3.28Å; A671-L958 WeakPolarHBondContact O-CD1 3.38Å
672R88Confident87.3Confident70 Ų7022.8 Ų22.826%0.26411%0.113SC..Hα-helixtrans-63.5-34.7176-67.1173.2-156.8121.4-0.1112.4P668 T669 Y670 E676 F712 E961P668-R672 WeakPolarHBondContact O-CG 3.5Å; P668-R672 PolarHBondContact O-N 3.33Å; T669-R672 PolarHBondContact O-N 3.23Å; Y670-R672 PolarHBondContact O-N 3.21Å; R672-E676 VanDerWaalsContact O-CB 3.31Å; R672-E676 WeakPolarHBondContact O-CB 3.39Å; R672-E676 PolarHBondContact O-N 3.27Å; R672-F712 HydrophobicContact CB-CE2 4.47Å; R672-E961 HydrophobicContact CG-CG 4.29Å
673C88.8Confident86.9Confident0 Ų021.6 Ų21.60%011%0.108CC..Hα-helixtrans-68.2-43.9175.3-63.30000112.1T669 Y670 A671 E676 I677 F712 F725T669-C673 PolarHBondContact O-N 3.46Å; T669-C673 PolarHBondContact O-SG 3.31Å; Y670-C673 WeakPolarHBondContact O-CB 3.33Å; Y670-C673 PolarHBondContact O-N 2.86Å; Y670-C673 VanDerWaalsContact O-N 3.12Å; A671-C673 VanDerWaalsContact C-N 3.3Å; A671-C673 PolarHBondContact O-N 3.31Å; C673-E676 PolarHBondContact O-N 2.98Å; C673-I677 WeakPolarHBondContact O-CG1 3.27Å; C673-I677 PolarHBondContact O-N 3.32Å; C673-F712 HydrophobicContact CB-CZ 4.3Å; C673-F725 HydrophobicContact CB-CD1 3.82Å; C673-F725 HydrophobicContact CB-CD2 3.53Å; C673-F725 HydrophobicContact CB-CE1 3.61Å; C673-F725 HydrophobicContact CB-CE2 3.31Å; C673-F725 HydrophobicContact CB-CG 3.78Å; C673-F725 HydrophobicContact CB-CZ 3.35Å; C673-F725 VanDerWaalsContact SG-CD2 3.56Å
674L88.7Confident86.3Confident1 Ų124.1 Ų24.11%0.00512%0.121CC..Hα-helixtrans-62.7-44.1175.6-69174.2000111.9P203 L206 Y670 A671 E676 I677 V678 F725 L943 L946 L958P203-L674 HydrophobicContact CG-CD2 4.14Å; L206-L674 HydrophobicContact CD1-CD2 4.07Å; Y670-L674 HydrophobicContact CD1-CD1 4.03Å; Y670-L674 HydrophobicContact CE1-CD1 3.59Å; Y670-L674 HydrophobicContact CE1-CG 4.47Å; Y670-L674 HydrophobicContact CE2-CD1 4.48Å; Y670-L674 PolarHBondContact O-N 3.48Å; A671-L674 PolarHBondContact O-N 3.02Å; L674-E676 PolarHBondContact O-N 3.28Å; L674-I677 PolarHBondContact O-N 3Å; L674-V678 PolarHBondContact O-N 3.25Å; L674-F725 HydrophobicContact CD2-CE1 4.4Å; L674-L943 HydrophobicContact CB-CD1 3.91Å; L674-L943 HydrophobicContact CB-CD2 4.35Å; L674-L943 HydrophobicContact CD1-CD1 3.87Å; L674-L943 HydrophobicContact CG-CD1 4.34Å; L674-L946 HydrophobicContact CD1-CD2 3.85Å; L674-L958 HydrophobicContact CB-CD1 4.18Å
675A88.4Confident85.6Confident5 Ų523.9 Ų23.94%0.04112%0.12CC..Hα-helixtrans-61-43.1174.700000112.2A671 I677 V678 R679 L958 E961 L962A671-A675 WeakPolarHBondContact O-CB 3.23Å; A671-A675 PolarHBondContact O-N 2.83Å; A675-I677 VanDerWaalsContact C-N 3.34Å; A675-I677 PolarHBondContact O-N 3.1Å; A675-V678 PolarHBondContact O-N 3.14Å; A675-R679 WeakPolarHBondContact O-CB 3.47Å; A675-R679 PolarHBondContact O-N 3.48Å; A675-L958 HydrophobicContact CB-CD1 4.12Å; A675-E961 HydrophobicContact CB-CB 3.98Å; A675-L962 HydrophobicContact CB-CD2 4.2Å; A675-L962 HydrophobicContact CB-CG 4.34Å
676E85.7Confident85Confident19 Ų1920.5 Ų20.59%0.08911%0.105CC..Hα-helixtrans-63.5-35176.2174.268.2179.600112.5R672 C673 L674 R679 R680 F712R672-E676 VanDerWaalsContact O-CB 3.31Å; R672-E676 WeakPolarHBondContact O-CB 3.39Å; R672-E676 PolarHBondContact O-N 3.27Å; C673-E676 PolarHBondContact O-N 2.98Å; L674-E676 PolarHBondContact O-N 3.28Å; E676-R679 VanDerWaalsContact CD-NH2 3.32Å; E676-R679 IonicContact OE1-NH2 3.21Å; E676-R679 PolarHBondContact OE1-NH2 3.19Å; E676-R679 IonicContact OE2-CZ 3.82Å; E676-R679 VanDerWaalsContact OE2-CZ 3.25Å; E676-R679 IonicContact OE2-NE 3.05Å; E676-R679 PolarHBondContact OE2-NE 3.49Å; E676-R679 IonicContact OE2-NH2 3.19Å; E676-R679 PolarHBondContact OE2-NH2 3.06Å; E676-R680 WeakPolarHBondContact O-CB 3.13Å; E676-R680 VanDerWaalsContact O-CG 3.25Å; E676-R680 WeakPolarHBondContact O-CG 3.47Å; E676-R680 PolarHBondContact O-N 3.27Å; E676-R680 IonicContact OE1-CZ 3.03Å; E676-R680 IonicContact OE1-NE 3.74Å; E676-R680 PolarHBondContact OE1-NE 3.14Å; E676-R680 IonicContact OE1-NH2 3.87Å; E676-R680 PolarHBondContact OE1-NH2 3.45Å; E676-F712 HydrophobicContact CB-CD2 4.19Å; E676-F712 HydrophobicContact CB-CE1 4.29Å; E676-F712 HydrophobicContact CB-CE2 3.84Å; E676-F712 HydrophobicContact CB-CZ 3.91Å; E676-F712 HydrophobicContact CG-CD1 3.86Å; E676-F712 HydrophobicContact CG-CD2 3.96Å; E676-F712 HydrophobicContact CG-CE1 3.94Å; E676-F712 HydrophobicContact CG-CE2 4.04Å; E676-F712 HydrophobicContact CG-CG 3.88Å; E676-F712 HydrophobicContact CG-CZ 4.04Å
677I84.9Confident84Confident5 Ų521.3 Ų21.33%0.02611%0.109CC..Hα-helixtrans-63.5-55.7174.1-69.3173.3000110.6L206 C673 L674 A675 R679 R680 T681 F725 W728 I938L206-I677 HydrophobicContact CD2-CD1 3.76Å; C673-I677 WeakPolarHBondContact O-CG1 3.27Å; C673-I677 PolarHBondContact O-N 3.32Å; L674-I677 PolarHBondContact O-N 3Å; A675-I677 VanDerWaalsContact C-N 3.34Å; A675-I677 PolarHBondContact O-N 3.1Å; I677-R679 VanDerWaalsContact C-N 3.28Å; I677-R679 PolarHBondContact O-N 3.33Å; I677-R680 WeakPolarHBondContact O-CB 3.44Å; I677-R680 PolarHBondContact O-N 2.78Å; I677-T681 PolarHBondContact O-N 3.37Å; I677-T681 PolarHBondContact O-OG1 3.39Å; I677-F725 HydrophobicContact CD1-CD1 3.84Å; I677-F725 HydrophobicContact CD1-CE1 3.9Å; I677-W728 HydrophobicContact CD1-CB 3.78Å; I677-W728 HydrophobicContact CD1-CD2 4.23Å; I677-W728 HydrophobicContact CD1-CG 3.86Å; I677-W728 HydrophobicContact CG1-CB 3.9Å; I677-W728 HydrophobicContact CG1-CG 4.44Å; I677-W728 HydrophobicContact CG2-CE3 4.25Å; I677-I938 HydrophobicContact CD1-CD1 4.41Å; I677-I938 HydrophobicContact CG2-CB 4.22Å; I677-I938 HydrophobicContact CG2-CD1 4.39Å
678V85.4Confident83.1Confident0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-62-39.8-177-179.80000110.6L674 A675 R680 T681 E682 I938 R940 L943 L962 F966L674-V678 PolarHBondContact O-N 3.25Å; A675-V678 PolarHBondContact O-N 3.14Å; V678-R680 VanDerWaalsContact C-N 3.34Å; V678-R680 PolarHBondContact O-N 3.35Å; V678-T681 WeakPolarHBondContact CA-OG1 3.24Å; V678-T681 PolarHBondContact O-N 3.46Å; V678-T681 PolarHBondContact O-OG1 2.95Å; V678-E682 HydrophobicContact CG1-CG 4.41Å; V678-E682 WeakPolarHBondContact CG1-OE1 3.41Å; V678-E682 WeakPolarHBondContact O-CB 3.33Å; V678-E682 WeakPolarHBondContact O-CG 3.29Å; V678-E682 PolarHBondContact O-N 2.75Å; V678-I938 HydrophobicContact CG2-CG2 4.16Å; V678-R940 HydrophobicContact CG1-CB 4.07Å; V678-L943 HydrophobicContact CB-CD2 4.41Å; V678-L943 HydrophobicContact CG2-CB 4.45Å; V678-L943 HydrophobicContact CG2-CD2 3.6Å; V678-L962 HydrophobicContact CB-CD2 4.27Å; V678-L962 HydrophobicContact CG1-CD2 4.42Å; V678-F966 HydrophobicContact CG1-CZ 4.24Å
679R86.9Confident82Confident13 Ų1330.6 Ų30.65%0.04915%0.153CC..Hα-helixtrans-60.8-38.4174-171.3-157.868.968.7-3.2112.8A675 E676 I677 F683 E705A675-R679 WeakPolarHBondContact O-CB 3.47Å; A675-R679 PolarHBondContact O-N 3.48Å; E676-R679 VanDerWaalsContact CD-NH2 3.32Å; E676-R679 IonicContact OE1-NH2 3.21Å; E676-R679 PolarHBondContact OE1-NH2 3.19Å; E676-R679 IonicContact OE2-CZ 3.82Å; E676-R679 VanDerWaalsContact OE2-CZ 3.25Å; E676-R679 IonicContact OE2-NE 3.05Å; E676-R679 PolarHBondContact OE2-NE 3.49Å; E676-R679 IonicContact OE2-NH2 3.19Å; E676-R679 PolarHBondContact OE2-NH2 3.06Å; I677-R679 VanDerWaalsContact C-N 3.28Å; I677-R679 PolarHBondContact O-N 3.33Å; R679-F683 VanDerWaalsContact O-CB 3.3Å; R679-F683 WeakPolarHBondContact O-CB 2.81Å; R679-F683 PolarHBondContact O-N 3.12Å; R679-E705 IonicContact CZ-OE1 3.77Å; R679-E705 IonicContact CZ-OE2 2.78Å; R679-E705 IonicContact NH1-OE1 2.68Å; R679-E705 PolarHBondContact NH1-OE1 3.15Å; R679-E705 IonicContact NH1-OE2 2.67Å; R679-E705 PolarHBondContact NH1-OE2 2.93Å; R679-E705 IonicContact NH2-OE1 3.97Å; R679-E705 PolarHBondContact NH2-OE1 3.12Å; R679-E705 IonicContact NH2-OE2 3.66Å; R679-E705 PolarHBondContact NH2-OE2 3.41Å
680R84.5Confident80.7Confident13 Ų1334.3 Ų34.35%0.04917%0.165CC..Hα-helixtrans-67.1-48.2174.2-75.5177.9-170.6-153.73.4111.4E676 I677 V678 E682 F683 D684 W728 T729E676-R680 WeakPolarHBondContact O-CB 3.13Å; E676-R680 VanDerWaalsContact O-CG 3.25Å; E676-R680 WeakPolarHBondContact O-CG 3.47Å; E676-R680 PolarHBondContact O-N 3.27Å; E676-R680 IonicContact OE1-CZ 3.03Å; E676-R680 IonicContact OE1-NE 3.74Å; E676-R680 PolarHBondContact OE1-NE 3.14Å; E676-R680 IonicContact OE1-NH2 3.87Å; E676-R680 PolarHBondContact OE1-NH2 3.45Å; I677-R680 WeakPolarHBondContact O-CB 3.44Å; I677-R680 PolarHBondContact O-N 2.78Å; V678-R680 VanDerWaalsContact C-N 3.34Å; V678-R680 PolarHBondContact O-N 3.35Å; R680-E682 VanDerWaalsContact C-N 3.33Å; R680-E682 PolarHBondContact O-N 3.24Å; R680-F683 WeakPolarHBondContact O-CB 3.25Å; R680-F683 PolarHBondContact O-N 3.43Å; R680-F683 VanDerWaalsContact O-N 3.14Å; R680-D684 WeakPolarHBondContact O-CB 3.37Å; R680-D684 PolarHBondContact O-N 3.43Å; R680-W728 PolarHBondContact NH1-O 3.28Å; R680-T729 VanDerWaalsContact NH1-C 3.27Å; R680-T729 VanDerWaalsContact NH1-CA 3.34Å; R680-T729 PolarHBondContact NH1-O 3.19Å
681T79.8Confident79.1Confident22 Ų2237.5 Ų37.514%0.13519%0.187CC..Hα-helixtrans-60.9-41.9179.349.10000112I677 V678 D684 D685 K937I677-T681 PolarHBondContact O-N 3.37Å; I677-T681 PolarHBondContact O-OG1 3.39Å; V678-T681 WeakPolarHBondContact CA-OG1 3.24Å; V678-T681 PolarHBondContact O-N 3.46Å; V678-T681 PolarHBondContact O-OG1 2.95Å; T681-D684 PolarHBondContact O-N 2.83Å; T681-D685 WeakPolarHBondContact O-CB 3.24Å; T681-D685 VanDerWaalsContact O-CG 3.31Å; T681-D685 PolarHBondContact O-N 3.46Å; T681-K937 HydrophobicContact CG2-CB 4.44Å; T681-K937 HydrophobicContact CG2-CD 4.33Å; T681-K937 HydrophobicContact CG2-CG 4.12Å
682E80.3Confident77.3Confident58 Ų5843.2 Ų43.227%0.27122%0.222SC..Hα-helixtrans-69.9-31.8175.9-71.4-167.9-13000112.9V678 R680 M686 R940 F966V678-E682 HydrophobicContact CG1-CG 4.41Å; V678-E682 WeakPolarHBondContact CG1-OE1 3.41Å; V678-E682 WeakPolarHBondContact O-CB 3.33Å; V678-E682 WeakPolarHBondContact O-CG 3.29Å; V678-E682 PolarHBondContact O-N 2.75Å; R680-E682 VanDerWaalsContact C-N 3.33Å; R680-E682 PolarHBondContact O-N 3.24Å; E682-M686 VanDerWaalsContact O-CB 3.22Å; E682-M686 WeakPolarHBondContact O-CB 3.2Å; E682-M686 PolarHBondContact O-N 3.16Å; E682-R940 IonicContact OE1-CZ 2.71Å; E682-R940 VanDerWaalsContact OE1-CZ 3.24Å; E682-R940 IonicContact OE1-NE 2.69Å; E682-R940 PolarHBondContact OE1-NE 3.04Å; E682-R940 IonicContact OE1-NH2 3.91Å; E682-R940 PolarHBondContact OE1-NH2 3.2Å; E682-R940 IonicContact OE2-CZ 3.9Å; E682-R940 IonicContact OE2-NH2 2.7Å; E682-R940 PolarHBondContact OE2-NH2 3.44Å; E682-F966 HydrophobicContact CB-CE1 4.04Å; E682-F966 HydrophobicContact CG-CE1 4.2Å; E682-F966 HydrophobicContact CG-CZ 4.46Å; E682-F966 WeakPolarHBondContact OE1-CE1 3.45Å; E682-F966 WeakPolarHBondContact OE1-CZ 3.5Å; E682-F966 VanDerWaalsContact OE2-CE1 3.31Å; E682-F966 WeakPolarHBondContact OE2-CE1 3.09Å
683F80.4Confident75.4Confident11 Ų1144.3 Ų44.35%0.04824%0.239CC..Hα-helixtrans-66.9-44.1171.9-179-89.1000111.9R679 R680 M686 L687 E705 F969R679-F683 VanDerWaalsContact O-CB 3.3Å; R679-F683 WeakPolarHBondContact O-CB 2.81Å; R679-F683 PolarHBondContact O-N 3.12Å; R680-F683 WeakPolarHBondContact O-CB 3.25Å; R680-F683 PolarHBondContact O-N 3.43Å; R680-F683 VanDerWaalsContact O-N 3.14Å; F683-M686 HydrophobicContact CD2-CE 4.08Å; F683-M686 HydrophobicContact CE2-CE 4.03Å; F683-M686 PolarHBondContact O-N 3Å; F683-L687 HydrophobicContact CD1-CD1 4.07Å; F683-L687 HydrophobicContact CD1-CG 4.24Å; F683-L687 HydrophobicContact CE1-CD1 3.31Å; F683-L687 HydrophobicContact CE1-CG 3.73Å; F683-L687 HydrophobicContact CZ-CD1 3.86Å; F683-L687 HydrophobicContact CZ-CD2 4.4Å; F683-L687 HydrophobicContact CZ-CG 4.02Å; F683-L687 PolarHBondContact O-N 3.43Å; F683-E705 HydrophobicContact CD1-CB 4.46Å; F683-E705 HydrophobicContact CD1-CG 3.81Å; F683-E705 HydrophobicContact CD2-CG 4.43Å; F683-E705 HydrophobicContact CE1-CB 3.79Å; F683-E705 HydrophobicContact CE1-CG 3.54Å; F683-E705 HydrophobicContact CE2-CB 3.92Å; F683-E705 HydrophobicContact CE2-CG 4.22Å; F683-E705 HydrophobicContact CG-CG 4.26Å; F683-E705 HydrophobicContact CZ-CB 3.49Å; F683-E705 VanDerWaalsContact CZ-CB 3.49Å; F683-E705 HydrophobicContact CZ-CG 3.78Å; F683-F969 HydrophobicContact CB-CE1 4.43Å; F683-F969 HydrophobicContact CB-CZ 4.02Å; F683-F969 AromaticContact CD2-CE1 3.79Å; F683-F969 HydrophobicContact CD2-CE1 3.79Å; F683-F969 AromaticContact CD2-CZ 3.89Å; F683-F969 HydrophobicContact CD2-CZ 3.89Å; F683-F969 HydrophobicContact CG-CZ 4.46Å
684D77.2Confident73.4Confident53 Ų5353.3 Ų53.328%0.28328%0.275SS..Hα-helixtrans-67.9-37.5-179.1-62.2-17.6000110.5R680 T681 L687 T688 R709R680-D684 WeakPolarHBondContact O-CB 3.37Å; R680-D684 PolarHBondContact O-N 3.43Å; T681-D684 PolarHBondContact O-N 2.83Å; D684-L687 PolarHBondContact O-N 3.25Å; D684-T688 WeakPolarHBondContact O-CB 3.29Å; D684-T688 PolarHBondContact O-N 3.27Å; D684-T688 PolarHBondContact O-OG1 2.89Å; D684-R709 IonicContact OD1-CZ 2.73Å; D684-R709 IonicContact OD1-NH1 3.63Å; D684-R709 IonicContact OD1-NH2 2.77Å; D684-R709 PolarHBondContact OD1-NH2 3.12Å; D684-R709 IonicContact OD2-NH1 2.94Å; D684-R709 IonicContact OD2-NH2 3.25Å
685D74.2Confident71.5Confident72 Ų7260.7 Ų60.739%0.38531%0.313SS..Hα-helixtrans-69.7-39.8172.5-71.7-29.8000112.3T681 L687 T688 Q689 K937T681-D685 WeakPolarHBondContact O-CB 3.24Å; T681-D685 VanDerWaalsContact O-CG 3.31Å; T681-D685 PolarHBondContact O-N 3.46Å; D685-L687 PolarHBondContact O-N 3.03Å; D685-T688 WeakPolarHBondContact O-CB 3.25Å; D685-T688 PolarHBondContact O-N 3.33Å; D685-Q689 PolarHBondContact O-N 2.69Å; D685-K937 IonicContact OD1-NZ 3.74Å; D685-K937 PolarHBondContact OD1-NZ 2.98Å; D685-K937 IonicContact OD2-NZ 3.31Å; D685-K937 PolarHBondContact OD2-NZ 2.88Å
686M74.3Confident69.8Low28 Ų2869.4 Ų69.414%0.13835%0.35CS..Hα-helixtrans-62.2-40.4172.4-178.8-13249.900111.9E682 F683 Q689 R690 F969E682-M686 VanDerWaalsContact O-CB 3.22Å; E682-M686 WeakPolarHBondContact O-CB 3.2Å; E682-M686 PolarHBondContact O-N 3.16Å; F683-M686 HydrophobicContact CD2-CE 4.08Å; F683-M686 HydrophobicContact CE2-CE 4.03Å; F683-M686 PolarHBondContact O-N 3Å; M686-Q689 PolarHBondContact O-N 2.9Å; M686-R690 WeakPolarHBondContact O-CB 3.24Å; M686-R690 PolarHBondContact O-N 2.83Å; M686-R690 PolarHBondContact SD-NH1 3.21Å; M686-R690 VanDerWaalsContact SD-NH1 3.44Å; M686-F969 HydrophobicContact CE-CE1 4.17Å; M686-F969 HydrophobicContact CG-CD1 4.45Å; M686-F969 HydrophobicContact SD-CD1 3.55Å; M686-F969 VanDerWaalsContact SD-CD1 3.55Å; M686-F969 HydrophobicContact SD-CE1 3.64Å
687L68.7Low68.4Low18 Ų1874.7 Ų74.79%0.09438%0.375CS..Hα-helixtrans-65.7-40.4173-80.6-170.6000111.8F683 D684 D685 Q689 R690 S691 E698F683-L687 HydrophobicContact CD1-CD1 4.07Å; F683-L687 HydrophobicContact CD1-CG 4.24Å; F683-L687 HydrophobicContact CE1-CD1 3.31Å; F683-L687 HydrophobicContact CE1-CG 3.73Å; F683-L687 HydrophobicContact CZ-CD1 3.86Å; F683-L687 HydrophobicContact CZ-CD2 4.4Å; F683-L687 HydrophobicContact CZ-CG 4.02Å; F683-L687 PolarHBondContact O-N 3.43Å; D684-L687 PolarHBondContact O-N 3.25Å; D685-L687 PolarHBondContact O-N 3.03Å; L687-Q689 PolarHBondContact O-N 2.9Å; L687-R690 PolarHBondContact O-N 2.89Å; L687-S691 VanDerWaalsContact O-CB 3.25Å; L687-S691 WeakPolarHBondContact O-CB 3.3Å; L687-S691 PolarHBondContact O-N 3.26Å; L687-S691 PolarHBondContact O-OG 2.86Å; L687-E698 HydrophobicContact CD2-CG 3.78Å
688T69.3Low67.2Low83 Ų8376.3 Ų76.351%0.50938%0.383SS..Hα-helixtrans-60.5-35.7175.6-56.30000111.2D684 D685 S691D684-T688 WeakPolarHBondContact O-CB 3.29Å; D684-T688 PolarHBondContact O-N 3.27Å; D684-T688 PolarHBondContact O-OG1 2.89Å; D685-T688 WeakPolarHBondContact O-CB 3.25Å; D685-T688 PolarHBondContact O-N 3.33Å; T688-S691 PolarHBondContact O-OG 3.27Å
689Q66.4Low66.2Low158 Ų15880.4 Ų80.474%0.73841%0.408SS*.Hα-helixtrans-79.3-35.3175.7-161.9176.631.400113.8D685 M686 L687D685-Q689 PolarHBondContact O-N 2.69Å; M686-Q689 PolarHBondContact O-N 2.9Å; L687-Q689 PolarHBondContact O-N 2.9Å
690R63.5Low65.4Low92 Ų9285.6 Ų85.635%0.34744%0.436SS..Hα-helixtrans-85-26.6-177.1-87.5-179.2148.9155.2-8.2115.3M686 L687 V692 C693 T972M686-R690 WeakPolarHBondContact O-CB 3.24Å; M686-R690 PolarHBondContact O-N 2.83Å; M686-R690 PolarHBondContact SD-NH1 3.21Å; M686-R690 VanDerWaalsContact SD-NH1 3.44Å; L687-R690 PolarHBondContact O-N 2.89Å; R690-V692 PolarHBondContact O-N 3.3Å; R690-V692 VanDerWaalsContact O-N 3.1Å; R690-C693 PolarHBondContact O-N 3.16Å; R690-T972 PolarHBondContact NH1-OG1 2.63Å; R690-T972 PolarHBondContact NH2-O 2.79Å; R690-T972 PolarHBondContact NH2-OG1 2.7Å
691S55.5Low64.8Low66 Ų6687.8 Ų87.846%0.46245%0.449SS..THydrogen-bonded Turntrans-62-15.5178.2500000113.5L687 T688 C693L687-S691 VanDerWaalsContact O-CB 3.25Å; L687-S691 WeakPolarHBondContact O-CB 3.3Å; L687-S691 PolarHBondContact O-N 3.26Å; L687-S691 PolarHBondContact O-OG 2.86Å; T688-S691 PolarHBondContact O-OG 3.27Å; S691-C693 VanDerWaalsContact C-N 3.25Å; S691-C693 PolarHBondContact O-N 3.4Å
692V53.5Low64.4Low121 Ų12191.5 Ų91.573%0.73346%0.46SS*.THydrogen-bonded Turntrans-68-18.3170.8-176.70000112.9R690R690-V692 PolarHBondContact O-N 3.3Å; R690-V692 VanDerWaalsContact O-N 3.1Å
693C46.3Very low64.2Low92 Ų9293.2 Ų93.262%0.62248%0.475SS*.THydrogen-bonded Turntrans-121.3-41.6-165.3-69.20000118.4R690 S691R690-C693 PolarHBondContact O-N 3.16Å; S691-C693 VanDerWaalsContact C-N 3.25Å; S691-C693 PolarHBondContact O-N 3.4Å
694Y48.3Very low63.9Low190 Ų19095.4 Ų95.475%0.74549%0.485SS*.  trans-149127.4-173.8-78.8-74.1000115.7
695L47.8Very low64.1Low156 Ų15693.2 Ų93.282%0.81747%0.473SS*.SBendtrans-96.414.6-169.8-85.8169.9000116.9
696K52.6Low64.3Low187 Ų18791.7 Ų91.781%0.81347%0.468SS*.SBendtrans-127-20.6-175.7-152.3170-174.9176.20117.1
697E55.7Low64.6Low130 Ų13096 Ų9661%0.60748%0.482SS*.SBendtrans-86.6-21.8170.4-69.5-171.1123.200112.7T699 N700 L701E697-T699 VanDerWaalsContact C-N 3.3Å; E697-T699 PolarHBondContact O-N 2.99Å; E697-N700 PolarHBondContact O-N 3.11Å; E697-L701 PolarHBondContact O-N 2.63Å
698E60.1Low65.3Low40 Ų4098.9 Ų98.919%0.18749%0.492CS..Hα-helixtrans-58.9-37.9-174.7-157-156129.500112.9L687 N700 L701 R702L687-E698 HydrophobicContact CD2-CG 3.78Å; E698-N700 VanDerWaalsContact C-N 3.32Å; E698-N700 PolarHBondContact O-N 2.73Å; E698-L701 PolarHBondContact O-N 2.91Å; E698-R702 VanDerWaalsContact O-CB 3.28Å; E698-R702 WeakPolarHBondContact O-CB 3.34Å; E698-R702 PolarHBondContact O-N 3.33Å; E698-R702 IonicContact OE1-CZ 3.12Å; E698-R702 IonicContact OE1-NE 3.39Å; E698-R702 PolarHBondContact OE1-NE 3.44Å; E698-R702 IonicContact OE1-NH2 2.73Å; E698-R702 PolarHBondContact OE1-NH2 3.17Å
699T65.2Low66Low86 Ų8695.4 Ų95.453%0.52847%0.469SS..Hα-helixtrans-63.6-35.8-17656.40000112.9E697 T703E697-T699 VanDerWaalsContact C-N 3.3Å; E697-T699 PolarHBondContact O-N 2.99Å; T699-T703 VanDerWaalsContact O-CB 3.28Å; T699-T703 WeakPolarHBondContact O-CB 3.47Å; T699-T703 PolarHBondContact O-N 2.98Å; T699-T703 PolarHBondContact O-OG1 3.19Å
700N68.9Low66.6Low121 Ų12193.4 Ų93.465%0.64746%0.455SS*.Hα-helixtrans-74.7-43.3179-71.4-13.2000110.8E697 E698 T703 E704E697-N700 PolarHBondContact O-N 3.11Å; E698-N700 VanDerWaalsContact C-N 3.32Å; E698-N700 PolarHBondContact O-N 2.73Å; N700-T703 PolarHBondContact O-N 2.97Å; N700-E704 WeakPolarHBondContact O-CB 3.08Å; N700-E704 PolarHBondContact O-N 3.33Å
701L73.4Confident67.5Low59 Ų5993.2 Ų93.231%0.30946%0.46SS..Hα-helixtrans-60.7-46.8174.8-68.8168.9000111.4E697 E698 T703 E704 E705E697-L701 PolarHBondContact O-N 2.63Å; E698-L701 PolarHBondContact O-N 2.91Å; L701-T703 PolarHBondContact O-N 3.17Å; L701-E704 PolarHBondContact O-N 2.86Å; L701-E705 WeakPolarHBondContact O-CB 3.4Å; L701-E705 PolarHBondContact O-N 3.01Å
702R70.6Confident68.9Low100 Ų10092 Ų9238%0.37745%0.447SS..Hα-helixtrans-60.5-43.8175.3-166.585.581.1118.92.9111.6E698 E705 C706 E734E698-R702 VanDerWaalsContact O-CB 3.28Å; E698-R702 WeakPolarHBondContact O-CB 3.34Å; E698-R702 PolarHBondContact O-N 3.33Å; E698-R702 IonicContact OE1-CZ 3.12Å; E698-R702 IonicContact OE1-NE 3.39Å; E698-R702 PolarHBondContact OE1-NE 3.44Å; E698-R702 IonicContact OE1-NH2 2.73Å; E698-R702 PolarHBondContact OE1-NH2 3.17Å; R702-E705 PolarHBondContact O-N 2.96Å; R702-C706 WeakPolarHBondContact O-CB 3.42Å; R702-C706 PolarHBondContact O-N 3.32Å; R702-C706 PolarHBondContact O-SG 3.31Å; R702-E734 IonicContact NH1-OE2 2.72Å
703T75.4Confident70.2Confident94 Ų9487.7 Ų87.758%0.57742%0.422SS*.Hα-helixtrans-65.7-43.2-179.3-61.30000112.3T699 N700 L701 C706 R707T699-T703 VanDerWaalsContact O-CB 3.28Å; T699-T703 WeakPolarHBondContact O-CB 3.47Å; T699-T703 PolarHBondContact O-N 2.98Å; T699-T703 PolarHBondContact O-OG1 3.19Å; N700-T703 PolarHBondContact O-N 2.97Å; L701-T703 PolarHBondContact O-N 3.17Å; T703-C706 PolarHBondContact O-N 2.67Å; T703-R707 PolarHBondContact O-N 3.21Å
704E76Confident71.8Confident58 Ų5889.5 Ų89.527%0.27142%0.419SS..Hα-helixtrans-65.3-39.7175.3170.656.7-171.300111.7N700 L701 R707 R708N700-E704 WeakPolarHBondContact O-CB 3.08Å; N700-E704 PolarHBondContact O-N 3.33Å; L701-E704 PolarHBondContact O-N 2.86Å; E704-R707 VanDerWaalsContact CD-NH2 3.27Å; E704-R707 WeakPolarHBondContact O-CB 3.46Å; E704-R707 PolarHBondContact O-N 3.17Å; E704-R707 IonicContact OE1-CZ 2.73Å; E704-R707 IonicContact OE1-NE 3.03Å; E704-R707 IonicContact OE1-NH2 3.24Å; E704-R707 PolarHBondContact OE1-NH2 3.4Å; E704-R707 IonicContact OE2-CZ 2.74Å; E704-R707 VanDerWaalsContact OE2-CZ 3.27Å; E704-R707 IonicContact OE2-NE 3Å; E704-R707 PolarHBondContact OE2-NE 2.71Å; E704-R707 IonicContact OE2-NH2 2.76Å; E704-R707 PolarHBondContact OE2-NH2 3.32Å; E704-R708 WeakPolarHBondContact O-CG 3.31Å; E704-R708 PolarHBondContact O-N 2.99Å; E704-R708 IonicContact OE1-CZ 2.66Å; E704-R708 IonicContact OE1-NE 3.67Å; E704-R708 PolarHBondContact OE1-NE 3.3Å; E704-R708 IonicContact OE1-NH2 3.55Å; E704-R708 PolarHBondContact OE1-NH2 2.7Å
705E80.7Confident73.3Confident6 Ų687.6 Ų87.63%0.02842%0.417CS..Hα-helixtrans-62.5-49173.2177.961.6-168.700111.9R679 F683 L701 R702 R707 R708 R709R679-E705 IonicContact CZ-OE1 3.77Å; R679-E705 IonicContact CZ-OE2 2.78Å; R679-E705 IonicContact NH1-OE1 2.68Å; R679-E705 PolarHBondContact NH1-OE1 3.15Å; R679-E705 IonicContact NH1-OE2 2.67Å; R679-E705 PolarHBondContact NH1-OE2 2.93Å; R679-E705 IonicContact NH2-OE1 3.97Å; R679-E705 PolarHBondContact NH2-OE1 3.12Å; R679-E705 IonicContact NH2-OE2 3.66Å; R679-E705 PolarHBondContact NH2-OE2 3.41Å; F683-E705 HydrophobicContact CD1-CB 4.46Å; F683-E705 HydrophobicContact CD1-CG 3.81Å; F683-E705 HydrophobicContact CD2-CG 4.43Å; F683-E705 HydrophobicContact CE1-CB 3.79Å; F683-E705 HydrophobicContact CE1-CG 3.54Å; F683-E705 HydrophobicContact CE2-CB 3.92Å; F683-E705 HydrophobicContact CE2-CG 4.22Å; F683-E705 HydrophobicContact CG-CG 4.26Å; F683-E705 HydrophobicContact CZ-CB 3.49Å; F683-E705 VanDerWaalsContact CZ-CB 3.49Å; F683-E705 HydrophobicContact CZ-CG 3.78Å; L701-E705 WeakPolarHBondContact O-CB 3.4Å; L701-E705 PolarHBondContact O-N 3.01Å; R702-E705 PolarHBondContact O-N 2.96Å; E705-R707 PolarHBondContact O-N 3.24Å; E705-R708 WeakPolarHBondContact O-CA 3.47Å; E705-R708 WeakPolarHBondContact O-CB 3.38Å; E705-R708 PolarHBondContact O-N 2.9Å; E705-R709 HydrophobicContact CG-CG 4.29Å; E705-R709 PolarHBondContact O-N 3.14Å; E705-R709 WeakPolarHBondContact OE1-CG 3.39Å; E705-R709 IonicContact OE1-CZ 2.71Å; E705-R709 IonicContact OE1-NE 2.72Å; E705-R709 PolarHBondContact OE1-NE 2.87Å; E705-R709 IonicContact OE1-NH2 3.83Å; E705-R709 PolarHBondContact OE1-NH2 3.17Å
706C78.2Confident74.8Confident40 Ų4080.4 Ų80.427%0.2738%0.379SS..Hα-helixtrans-59.5-30.5175.6-66.40000112R702 T703 R710R702-C706 WeakPolarHBondContact O-CB 3.42Å; R702-C706 PolarHBondContact O-N 3.32Å; R702-C706 PolarHBondContact O-SG 3.31Å; T703-C706 PolarHBondContact O-N 2.67Å; C706-R710 WeakPolarHBondContact O-CB 3.47Å; C706-R710 VanDerWaalsContact O-CG 3.23Å; C706-R710 WeakPolarHBondContact O-CG 3.4Å; C706-R710 PolarHBondContact O-N 3.45Å; C706-R710 PolarHBondContact O-NH1 3.38Å
707R80.8Confident75.9Confident118 Ų11878.2 Ų78.245%0.44537%0.369SS..Hα-helixtrans-66.3-45.3172.1-169.6-171.666.487.43.4111.1T703 E704 E705 R710 I711T703-R707 PolarHBondContact O-N 3.21Å; E704-R707 VanDerWaalsContact CD-NH2 3.27Å; E704-R707 WeakPolarHBondContact O-CB 3.46Å; E704-R707 PolarHBondContact O-N 3.17Å; E704-R707 IonicContact OE1-CZ 2.73Å; E704-R707 IonicContact OE1-NE 3.03Å; E704-R707 IonicContact OE1-NH2 3.24Å; E704-R707 PolarHBondContact OE1-NH2 3.4Å; E704-R707 IonicContact OE2-CZ 2.74Å; E704-R707 VanDerWaalsContact OE2-CZ 3.27Å; E704-R707 IonicContact OE2-NE 3Å; E704-R707 PolarHBondContact OE2-NE 2.71Å; E704-R707 IonicContact OE2-NH2 2.76Å; E704-R707 PolarHBondContact OE2-NH2 3.32Å; E705-R707 PolarHBondContact O-N 3.24Å; R707-R710 PolarHBondContact O-N 3.32Å; R707-I711 HydrophobicContact CG-CD1 4.05Å; R707-I711 VanDerWaalsContact NH1-CD1 3.34Å; R707-I711 WeakPolarHBondContact O-CG1 3.44Å; R707-I711 PolarHBondContact O-N 3.44Å
708R82.7Confident76.6Confident79 Ų7977.5 Ų77.530%0.29837%0.37SS..Hα-helixtrans-62.1-52.1176.5-67.4171.8-171.3-160.41.3111.9E704 E705 R710 I711 F712E704-R708 WeakPolarHBondContact O-CG 3.31Å; E704-R708 PolarHBondContact O-N 2.99Å; E704-R708 IonicContact OE1-CZ 2.66Å; E704-R708 IonicContact OE1-NE 3.67Å; E704-R708 PolarHBondContact OE1-NE 3.3Å; E704-R708 IonicContact OE1-NH2 3.55Å; E704-R708 PolarHBondContact OE1-NH2 2.7Å; E705-R708 WeakPolarHBondContact O-CA 3.47Å; E705-R708 WeakPolarHBondContact O-CB 3.38Å; E705-R708 PolarHBondContact O-N 2.9Å; R708-R710 VanDerWaalsContact C-N 3.26Å; R708-R710 PolarHBondContact O-N 2.98Å; R708-I711 PolarHBondContact O-N 2.94Å; R708-F712 PolarHBondContact O-N 2.84Å
709R83.9Confident77.7Confident10 Ų1076.5 Ų76.54%0.03837%0.366CS..Hα-helixtrans-55.1-40.4178.4-63.5-169.4-175.6-165.1-4.3111.7D684 E705 S713 E734D684-R709 IonicContact OD1-CZ 2.73Å; D684-R709 IonicContact OD1-NH1 3.63Å; D684-R709 IonicContact OD1-NH2 2.77Å; D684-R709 PolarHBondContact OD1-NH2 3.12Å; D684-R709 IonicContact OD2-NH1 2.94Å; D684-R709 IonicContact OD2-NH2 3.25Å; E705-R709 HydrophobicContact CG-CG 4.29Å; E705-R709 PolarHBondContact O-N 3.14Å; E705-R709 WeakPolarHBondContact OE1-CG 3.39Å; E705-R709 IonicContact OE1-CZ 2.71Å; E705-R709 IonicContact OE1-NE 2.72Å; E705-R709 PolarHBondContact OE1-NE 2.87Å; E705-R709 IonicContact OE1-NH2 3.83Å; E705-R709 PolarHBondContact OE1-NH2 3.17Å; R709-S713 VanDerWaalsContact O-CB 3.27Å; R709-S713 WeakPolarHBondContact O-CB 3.37Å; R709-S713 PolarHBondContact O-N 3.28Å; R709-E734 IonicContact CZ-OE1 3.22Å; R709-E734 IonicContact NH1-OE1 2.76Å; R709-E734 PolarHBondContact NH1-OE1 2.93Å
710R80.3Confident78.4Confident117 Ų11772.4 Ų72.444%0.44234%0.341SS..Hα-helixtrans-67.4-41.8174.5-73.8-178.3-162111-9.1113.8C706 R707 R708 K714C706-R710 WeakPolarHBondContact O-CB 3.47Å; C706-R710 VanDerWaalsContact O-CG 3.23Å; C706-R710 WeakPolarHBondContact O-CG 3.4Å; C706-R710 PolarHBondContact O-N 3.45Å; C706-R710 PolarHBondContact O-NH1 3.38Å; R707-R710 PolarHBondContact O-N 3.32Å; R708-R710 VanDerWaalsContact C-N 3.26Å; R708-R710 PolarHBondContact O-N 2.98Å; R710-K714 WeakPolarHBondContact O-CB 3.45Å; R710-K714 WeakPolarHBondContact O-CG 3.39Å; R710-K714 PolarHBondContact O-N 2.86Å
711I82.2Confident79.2Confident88 Ų8866.7 Ų66.745%0.45131%0.31SS..Hα-helixtrans-66.5-44.7178.9-70.9167.3000110.3R707 R708 K714 H715R707-I711 HydrophobicContact CG-CD1 4.05Å; R707-I711 VanDerWaalsContact NH1-CD1 3.34Å; R707-I711 WeakPolarHBondContact O-CG1 3.44Å; R707-I711 PolarHBondContact O-N 3.44Å; R708-I711 PolarHBondContact O-N 2.94Å; I711-K714 PolarHBondContact O-N 2.96Å; I711-H715 PolarHBondContact O-N 3.44Å; I711-H715 VanDerWaalsContact O-N 3.09Å
712F84.1Confident79.6Confident40 Ų4065.7 Ų65.718%0.17530%0.304CS..Hα-helixtrans-60.4-49176.1-169.3-87.5000111.6R672 C673 E676 R708 K714 H715 L716 T729R672-F712 HydrophobicContact CB-CE2 4.47Å; C673-F712 HydrophobicContact CB-CZ 4.3Å; E676-F712 HydrophobicContact CB-CD2 4.19Å; E676-F712 HydrophobicContact CB-CE1 4.29Å; E676-F712 HydrophobicContact CB-CE2 3.84Å; E676-F712 HydrophobicContact CB-CZ 3.91Å; E676-F712 HydrophobicContact CG-CD1 3.86Å; E676-F712 HydrophobicContact CG-CD2 3.96Å; E676-F712 HydrophobicContact CG-CE1 3.94Å; E676-F712 HydrophobicContact CG-CE2 4.04Å; E676-F712 HydrophobicContact CG-CG 3.88Å; E676-F712 HydrophobicContact CG-CZ 4.04Å; R708-F712 PolarHBondContact O-N 2.84Å; F712-K714 VanDerWaalsContact C-N 3.34Å; F712-K714 PolarHBondContact O-N 2.86Å; F712-H715 PolarHBondContact O-N 2.81Å; F712-H715 VanDerWaalsContact O-N 3.1Å; F712-L716 HydrophobicContact CE1-CB 4.36Å; F712-L716 HydrophobicContact CE1-CD2 4.05Å; F712-L716 WeakPolarHBondContact O-CB 3.5Å; F712-L716 PolarHBondContact O-N 3Å; F712-T729 HydrophobicContact CD1-CG2 4.19Å; F712-T729 HydrophobicContact CE1-CG2 3.81Å
713S80.9Confident79.9Confident30 Ų3061.1 Ų61.121%0.2129%0.287CS..Hα-helixtrans-58.4-41.6176.4176.30000112.6R709 H715 L716 K717R709-S713 VanDerWaalsContact O-CB 3.27Å; R709-S713 WeakPolarHBondContact O-CB 3.37Å; R709-S713 PolarHBondContact O-N 3.28Å; S713-H715 VanDerWaalsContact C-N 3.34Å; S713-H715 PolarHBondContact O-N 2.94Å; S713-L716 PolarHBondContact O-N 3.11Å; S713-K717 WeakPolarHBondContact O-CB 3.48Å; S713-K717 PolarHBondContact O-N 2.72Å
714K80.3Confident80.2Confident131 Ų13156.8 Ų56.857%0.5726%0.26SS*.Hα-helixtrans-59.7-41.1173.6-80.9179.1175.5-176.60112.8R710 I711 F712 T1932R710-K714 WeakPolarHBondContact O-CB 3.45Å; R710-K714 WeakPolarHBondContact O-CG 3.39Å; R710-K714 PolarHBondContact O-N 2.86Å; I711-K714 PolarHBondContact O-N 2.96Å; F712-K714 VanDerWaalsContact C-N 3.34Å; F712-K714 PolarHBondContact O-N 2.86Å; K714-T1932 PolarHBondContact NZ-OG1 3.21Å
715H78.7Confident80.5Confident149 Ų14954 Ų5469%0.6925%0.247SC*.Hα-helixtrans-72.2-40.7-179-163.967.7000111.4I711 F712 S713I711-H715 PolarHBondContact O-N 3.44Å; I711-H715 VanDerWaalsContact O-N 3.09Å; F712-H715 PolarHBondContact O-N 2.81Å; F712-H715 VanDerWaalsContact O-N 3.1Å; S713-H715 VanDerWaalsContact C-N 3.34Å; S713-H715 PolarHBondContact O-N 2.94Å
716L81.2Confident80.1Confident5 Ų555.5 Ų55.53%0.02626%0.258CS..Hα-helixtrans-71.7-34.2179-175.966.1000113.2F712 S713 N718 N719 L721 H722 F725 T729F712-L716 HydrophobicContact CE1-CB 4.36Å; F712-L716 HydrophobicContact CE1-CD2 4.05Å; F712-L716 WeakPolarHBondContact O-CB 3.5Å; F712-L716 PolarHBondContact O-N 3Å; S713-L716 PolarHBondContact O-N 3.11Å; L716-N718 PolarHBondContact O-N 2.91Å; L716-N719 HydrophobicContact CD1-CB 4.42Å; L716-N719 WeakPolarHBondContact O-CB 3.41Å; L716-N719 PolarHBondContact O-N 3.16Å; L716-L721 HydrophobicContact CD1-CB 4.34Å; L716-H722 HydrophobicContact CG-CB 4.08Å; L716-H722 WeakPolarHBondContact O-CB 3.49Å; L716-F725 HydrophobicContact CD2-CB 3.93Å; L716-T729 HydrophobicContact CD2-CG2 3.8Å
717K75.2Confident79.6Confident141 Ų14156.6 Ų56.661%0.61327%0.265SS*.THydrogen-bonded Turntrans-49-34.4-169.9-177171.7-179.41750115.6S713S713-K717 WeakPolarHBondContact O-CB 3.48Å; S713-K717 PolarHBondContact O-N 2.72Å
718N70.9Confident78.8Confident116 Ų11653.9 Ų53.962%0.6226%0.255SS*.THydrogen-bonded Turntrans-100.613.3-177.4-63.7-1.9000113.2Y266 Q662 L716Y266-N718 PolarHBondContact OH-O 3.03Å; Q662-N718 PolarHBondContact NE2-O 2.92Å; L716-N718 PolarHBondContact O-N 2.91Å
719N82.5Confident78Confident19 Ų1950.2 Ų50.210%0.10224%0.241CC..SBendtrans-107.1144.9179.3-176.3-78.9000110.8L716 L721 H722L716-N719 HydrophobicContact CD1-CB 4.42Å; L716-N719 WeakPolarHBondContact O-CB 3.41Å; L716-N719 PolarHBondContact O-N 3.16Å; N719-L721 PolarHBondContact O-N 3.12Å; N719-L721 VanDerWaalsContact O-N 3.12Å; N719-L721 WeakPolarHBondContact OD1-CB 3.36Å; N719-L721 WeakPolarHBondContact OD1-CG 3.46Å; N719-L721 PolarHBondContact OD1-N 2.83Å; N719-H722 VanDerWaalsContact O-CB 3.24Å; N719-H722 WeakPolarHBondContact O-CB 3.46Å; N719-H722 PolarHBondContact O-N 3Å
720V80.5Confident76.9Confident0 Ų053.4 Ų53.40%026%0.259CS..THydrogen-bonded Turntrans-44.5-40.5174.966.20000113.7I263 L659 Q662 L663 H722 S723I263-V720 HydrophobicContact CD1-CG2 3.6Å; I263-V720 HydrophobicContact CG1-CG2 3.6Å; L659-V720 HydrophobicContact CD1-CB 4.2Å; L659-V720 HydrophobicContact CD1-CG2 3.73Å; Q662-V720 HydrophobicContact CB-CG1 4.17Å; L663-V720 HydrophobicContact CD2-CG1 4.04Å; L663-V720 HydrophobicContact CD2-CG2 4.33Å; V720-H722 VanDerWaalsContact C-N 3.28Å; V720-H722 PolarHBondContact O-N 2.88Å; V720-S723 PolarHBondContact O-OG 2.76Å
721L84.9Confident75.6Confident0 Ų050.2 Ų50.20%025%0.254CS..THydrogen-bonded Turntrans-74.7-7.6-178.9-55.4-176.3000114.5L231 W234 A666 T669 L716 N719 S723 L724 F725L231-L721 HydrophobicContact CD1-CD2 3.76Å; L231-L721 HydrophobicContact CD2-CD2 4.2Å; L231-L721 HydrophobicContact CG-CD2 4.46Å; W234-L721 HydrophobicContact CZ3-CD2 4.15Å; A666-L721 HydrophobicContact CB-CD1 4.13Å; A666-L721 HydrophobicContact CB-CD2 4.5Å; A666-L721 HydrophobicContact CB-CG 4.49Å; T669-L721 HydrophobicContact CG2-CD1 4.07Å; L716-L721 HydrophobicContact CD1-CB 4.34Å; N719-L721 PolarHBondContact O-N 3.12Å; N719-L721 VanDerWaalsContact O-N 3.12Å; N719-L721 WeakPolarHBondContact OD1-CB 3.36Å; N719-L721 WeakPolarHBondContact OD1-CG 3.46Å; N719-L721 PolarHBondContact OD1-N 2.83Å; L721-S723 PolarHBondContact O-N 3.25Å; L721-L724 PolarHBondContact O-N 2.9Å; L721-F725 HydrophobicContact CB-CD2 4.05Å; L721-F725 HydrophobicContact CB-CE2 4.3Å; L721-F725 HydrophobicContact CD1-CE2 4.43Å; L721-F725 WeakPolarHBondContact O-CD2 3.15Å; L721-F725 PolarHBondContact O-N 3.34Å; L721-F725 VanDerWaalsContact O-N 3.16Å
722H82.3Confident73.9Confident39 Ų3952 Ų5218%0.18126%0.258CS..Hα-helixtrans-53.8-39.6177.5177.5-98.7000112.2L716 N719 V720 F725 S726L716-H722 HydrophobicContact CG-CB 4.08Å; L716-H722 WeakPolarHBondContact O-CB 3.49Å; N719-H722 VanDerWaalsContact O-CB 3.24Å; N719-H722 WeakPolarHBondContact O-CB 3.46Å; N719-H722 PolarHBondContact O-N 3Å; V720-H722 VanDerWaalsContact C-N 3.28Å; V720-H722 PolarHBondContact O-N 2.88Å; H722-F725 PolarHBondContact O-N 3.37Å; H722-S726 PolarHBondContact CE1-OG 3.35Å; H722-S726 VanDerWaalsContact CE1-OG 3.24Å; H722-S726 WeakPolarHBondContact O-CA 3.37Å; H722-S726 VanDerWaalsContact O-CB 3.25Å; H722-S726 WeakPolarHBondContact O-CB 3.35Å; H722-S726 PolarHBondContact O-N 3.17Å
723S76.8Confident71.9Confident4 Ų452.9 Ų52.93%0.02827%0.273CS..Hα-helixtrans-65.3-50.7-178.559.80000111.6W234 L260 V720 L721 F725 S726W234-S723 VanDerWaalsContact CH2-OG 3.25Å; W234-S723 WeakPolarHBondContact CH2-OG 3.34Å; W234-S723 VanDerWaalsContact CZ2-OG 3.29Å; W234-S723 WeakPolarHBondContact CZ2-OG 3.49Å; L260-S723 VanDerWaalsContact CD2-O 3.29Å; L260-S723 WeakPolarHBondContact CD2-O 3.44Å; V720-S723 PolarHBondContact O-OG 2.76Å; L721-S723 PolarHBondContact O-N 3.25Å; S723-F725 VanDerWaalsContact C-N 3.27Å; S723-F725 PolarHBondContact O-N 2.87Å; S723-S726 PolarHBondContact O-N 3.21Å
724L81.7Confident69.7Low2 Ų256 Ų561%0.0128%0.284CS..Hα-helixtrans-53.1-42.2174.9-179.162.3000112.7L202 L206 L231 W234 Y670 L721L202-L724 HydrophobicContact CD2-CD2 3.85Å; L206-L724 HydrophobicContact CB-CD1 4.33Å; L231-L724 HydrophobicContact CD1-CD2 4.07Å; W234-L724 HydrophobicContact CH2-CB 3.98Å; W234-L724 HydrophobicContact CZ2-CB 3.63Å; Y670-L724 HydrophobicContact CD2-CD2 4.48Å; Y670-L724 HydrophobicContact CE2-CD2 4.23Å; L721-L724 PolarHBondContact O-N 2.9Å
725F82Confident67.3Low0 Ų054.1 Ų54.10%029%0.287CS..Hα-helixtrans-98.1-0.6-174-70.4-66.7000114.9L206 Y670 C673 L674 I677 L716 L721 H722 S723 W728 T729L206-F725 HydrophobicContact CD1-CD1 4.41Å; L206-F725 HydrophobicContact CD1-CE1 3.54Å; L206-F725 HydrophobicContact CD1-CZ 3.93Å; L206-F725 HydrophobicContact CD2-CD1 4.08Å; L206-F725 HydrophobicContact CD2-CE1 3.85Å; L206-F725 HydrophobicContact CG-CE1 4.38Å; Y670-F725 AromaticContact CD2-CE2 3.72Å; Y670-F725 HydrophobicContact CD2-CE2 3.72Å; Y670-F725 AromaticContact CD2-CZ 3.5Å; Y670-F725 HydrophobicContact CD2-CZ 3.5Å; Y670-F725 HydrophobicContact CE2-CE2 4.25Å; Y670-F725 AromaticContact CE2-CZ 3.67Å; Y670-F725 HydrophobicContact CE2-CZ 3.67Å; C673-F725 HydrophobicContact CB-CD1 3.82Å; C673-F725 HydrophobicContact CB-CD2 3.53Å; C673-F725 HydrophobicContact CB-CE1 3.61Å; C673-F725 HydrophobicContact CB-CE2 3.31Å; C673-F725 HydrophobicContact CB-CG 3.78Å; C673-F725 HydrophobicContact CB-CZ 3.35Å; C673-F725 VanDerWaalsContact SG-CD2 3.56Å; L674-F725 HydrophobicContact CD2-CE1 4.4Å; I677-F725 HydrophobicContact CD1-CD1 3.84Å; I677-F725 HydrophobicContact CD1-CE1 3.9Å; L716-F725 HydrophobicContact CD2-CB 3.93Å; L721-F725 HydrophobicContact CB-CD2 4.05Å; L721-F725 HydrophobicContact CB-CE2 4.3Å; L721-F725 HydrophobicContact CD1-CE2 4.43Å; L721-F725 WeakPolarHBondContact O-CD2 3.15Å; L721-F725 PolarHBondContact O-N 3.34Å; L721-F725 VanDerWaalsContact O-N 3.16Å; H722-F725 PolarHBondContact O-N 3.37Å; S723-F725 VanDerWaalsContact C-N 3.27Å; S723-F725 PolarHBondContact O-N 2.87Å; F725-W728 PolarHBondContact O-N 2.91Å; F725-W728 VanDerWaalsContact O-N 3.11Å; F725-T729 HydrophobicContact CB-CG2 3.93Å; F725-T729 WeakPolarHBondContact O-CB 3.43Å; F725-T729 WeakPolarHBondContact O-CG2 3.28Å; F725-T729 PolarHBondContact O-N 3.41Å; F725-T729 PolarHBondContact O-OG1 3.42Å
726S72.1Confident64.8Low37 Ų3752.5 Ų52.526%0.25928%0.283SS..Hα-helixtrans-58-43.2-174.8-144.50000114H722 S723 W728 T729 N730H722-S726 PolarHBondContact CE1-OG 3.35Å; H722-S726 VanDerWaalsContact CE1-OG 3.24Å; H722-S726 WeakPolarHBondContact O-CA 3.37Å; H722-S726 VanDerWaalsContact O-CB 3.25Å; H722-S726 WeakPolarHBondContact O-CB 3.35Å; H722-S726 PolarHBondContact O-N 3.17Å; S723-S726 PolarHBondContact O-N 3.21Å; S726-W728 PolarHBondContact O-N 2.98Å; S726-T729 PolarHBondContact O-N 3.08Å; S726-N730 WeakPolarHBondContact O-CB 3.47Å; S726-N730 PolarHBondContact O-N 3.29Å; S726-N730 VanDerWaalsContact O-N 3.17Å
727P67.5Low62.1Low64 Ų6455.6 Ų55.642%0.41632%0.316SS..Hα-helixtrans-57.7-33.5176.9-25.335.3000113.6
728W64.6Low59.8Low61 Ų6156.9 Ų56.923%0.23133%0.329CS..Hα-helixtrans-93.2-21.8-174.3-52.591.1000113.4L206 I677 R680 F725 S726 V936L206-W728 HydrophobicContact CD2-CD2 4.46Å; L206-W728 HydrophobicContact CD2-CG 4.37Å; I677-W728 HydrophobicContact CD1-CB 3.78Å; I677-W728 HydrophobicContact CD1-CD2 4.23Å; I677-W728 HydrophobicContact CD1-CG 3.86Å; I677-W728 HydrophobicContact CG1-CB 3.9Å; I677-W728 HydrophobicContact CG1-CG 4.44Å; I677-W728 HydrophobicContact CG2-CE3 4.25Å; R680-W728 PolarHBondContact NH1-O 3.28Å; F725-W728 PolarHBondContact O-N 2.91Å; F725-W728 VanDerWaalsContact O-N 3.11Å; S726-W728 PolarHBondContact O-N 2.98Å; W728-V936 WeakPolarHBondContact CH2-O 3.43Å
729T64.7Low57.5Low1 Ų156.6 Ų56.61%0.00634%0.336CS..Hα-helixtrans-104.2-17.7-171.6560000114R680 F712 L716 F725 S726R680-T729 VanDerWaalsContact NH1-C 3.27Å; R680-T729 VanDerWaalsContact NH1-CA 3.34Å; R680-T729 PolarHBondContact NH1-O 3.19Å; F712-T729 HydrophobicContact CD1-CG2 4.19Å; F712-T729 HydrophobicContact CE1-CG2 3.81Å; L716-T729 HydrophobicContact CD2-CG2 3.8Å; F725-T729 HydrophobicContact CB-CG2 3.93Å; F725-T729 WeakPolarHBondContact O-CB 3.43Å; F725-T729 WeakPolarHBondContact O-CG2 3.28Å; F725-T729 PolarHBondContact O-N 3.41Å; F725-T729 PolarHBondContact O-OG1 3.42Å; S726-T729 PolarHBondContact O-N 3.08Å
730N62.8Low54.8Low77 Ų7763.6 Ų63.641%0.41237%0.373SS..  trans-64.4122.1177.2-174.9-19.5000112S726 K732 A733S726-N730 WeakPolarHBondContact O-CB 3.47Å; S726-N730 PolarHBondContact O-N 3.29Å; S726-N730 VanDerWaalsContact O-N 3.17Å; N730-K732 PolarHBondContact O-N 3.12Å; N730-K732 VanDerWaalsContact O-N 3.1Å; N730-K732 PolarHBondContact OD1-N 3.29Å; N730-A733 PolarHBondContact O-N 3.42Å
731P51.7Low52.3Low51 Ų5171 Ų7133%0.33141%0.411SS..THydrogen-bonded Turntrans-70.3-2.2-177.930.1-36.9000115.1
732K45.9Very low49.6Very low126 Ų12677.1 Ų77.155%0.54845%0.451SS..THydrogen-bonded Turntrans-98.4-0.5-178.8-62.5-176.1177.8179.70114.1N730 E734 S735 E1936N730-K732 PolarHBondContact O-N 3.12Å; N730-K732 VanDerWaalsContact O-N 3.1Å; N730-K732 PolarHBondContact OD1-N 3.29Å; K732-E734 VanDerWaalsContact C-N 3.31Å; K732-E734 PolarHBondContact O-N 2.98Å; K732-S735 PolarHBondContact O-OG 3.44Å; K732-E1936 VanDerWaalsContact CE-OE1 3.24Å; K732-E1936 WeakPolarHBondContact CE-OE1 3.47Å; K732-E1936 IonicContact NZ-OE1 3.7Å; K732-E1936 PolarHBondContact NZ-OE1 3.41Å
733A42.5Very low46.9Very low57 Ų5778.2 Ų78.247%0.47147%0.473SS..G310 helixtrans-68.7-21.3-177.800000114.7N730 S735 L736N730-A733 PolarHBondContact O-N 3.42Å; A733-S735 PolarHBondContact O-N 3.28Å; A733-L736 PolarHBondContact O-N 3.22Å
734E34.7Very low44.4Very low96 Ų9684.4 Ų84.445%0.44951%0.511SS..G310 helixtrans-60.2-4.9179.8-69.7172.4-145.900114.8R702 R709 K732R702-E734 IonicContact NH1-OE2 2.72Å; R709-E734 IonicContact CZ-OE1 3.22Å; R709-E734 IonicContact NH1-OE1 2.76Å; R709-E734 PolarHBondContact NH1-OE1 2.93Å; K732-E734 VanDerWaalsContact C-N 3.31Å; K732-E734 PolarHBondContact O-N 2.98Å
735S30.3Very low41.9Very low91 Ų9192.6 Ų92.664%0.63655%0.553SS**G310 helixtrans-94.5-3.1-174.457.60000115.4K732 A733K732-S735 PolarHBondContact O-OG 3.44Å; A733-S735 PolarHBondContact O-N 3.28Å
736L25.5Very low39.1Very low116 Ų11697.2 Ų97.261%0.60759%0.585SS**SBendtrans-138.367.9-169.5-70.1168.9000112.3A733A733-L736 PolarHBondContact O-N 3.22Å
737G25.1Very low36.9Very low70 Ų70103.9 Ų103.972%0.72261%0.614SS**SBendtrans-176.2-14.5176.300000118.1
738L26.5Very low34.9Very low168 Ų168105.7 Ų105.788%0.8863%0.629SS**  trans-114.476.9-175.4-68176.4000112.6
739S23.3Very low33.2Very low109 Ų109110.1 Ų110.176%0.76265%0.652SS**  trans-133.162.117065.40000111.2
740N24.7Very low31.3Very low166 Ų166116.2 Ų116.289%0.88868%0.684SS**  trans-162.565.1168.2-100.3-23.7000111.8
741I29.6Very low29.5Very low157 Ų157119.2 Ų119.281%0.80571%0.705SS**SBendtrans-127.8132156.6-60.6-179000106.2
742P26.6Very low28.3Very low127 Ų127120.9 Ų120.983%0.82572%0.723SS**  trans-60147.9-178.3-2535.3000113.1
743G25.9Very low27.5Very low63 Ų63123.7 Ų123.765%0.64974%0.738SS**  trans-75156.4-173.100000115.2
744T25.5Very low26.8Very low134 Ų134129.9 Ų129.982%0.82276%0.758SS**  trans58.9108.8154.260.70000119
745I27.9Very low26.5Very low174 Ų174133.7 Ų133.789%0.89278%0.775SS**  -123.8135.7110.6-61.8-175.9000107.6
746S23.7Very low26.4Very low96 Ų96135.9 Ų135.967%0.67178%0.779SS**  trans-124.5134.2166.9176.50000107.7
747M25.6Very low26.4Very low177 Ų177135.2 Ų135.287%0.87278%0.783SS**  trans-154.2158.8145.3-77.8-47.1-88.800108.1
748S24.8Very low26.4Very low103 Ų103140.2 Ų140.272%0.7279%0.788SS**  trans-136.7172.4177.6-64.10000110.4
749Q28.9Very low26.6Very low154 Ų154137.4 Ų137.472%0.7278%0.778SS**  trans84.792.4170.5-125.67563.300118.1
750D25.3Very low26.7Very low128 Ų128136.9 Ų136.968%0.68477%0.774SS**  33.2133.8124.9-40.3-36000122.1
751V26.2Very low27Very low140 Ų140135 Ų13585%0.84877%0.769SS**  168.4142.1104157.70000112.4
752A25.8Very low26.9Very low87 Ų87133 Ų13372%0.71976%0.764SS**  trans66.9112.5159.200000123.2
753E28.5Very low27.1Very low185 Ų185132.8 Ų132.886%0.86476%0.761SS**  trans27.8115.9132.2-58.8-174.4141.100124
754Q27.3Very low27.3Very low187 Ų187135.5 Ų135.587%0.87477%0.765SS**  trans19.9136.1133.9-59.2-174.8-300123.1
755Q29Very low27.6Very low176 Ų176134.3 Ų134.382%0.82276%0.757SS**  trans68.7138.8165.6-62.9-167.6-5.700116.1
756L28.3Very low27.7Very low137 Ų137131.9 Ų131.972%0.71775%0.751SS**  cis-149.31415.8-158.978.3000112.1
757C26.5Very low28.1Very low102 Ų102132.5 Ų132.569%0.68975%0.75SS**  trans60.8145.1154.4-80.30000124.4
758E25Very low28.5Very low174 Ų174129.9 Ų129.981%0.81375%0.745SS**  trans85.4110.9142.2-78.8175.1-133.300124
759T29.9Very low28.9Very low110 Ų110130.1 Ų130.168%0.67574%0.742SS**  90.486.7124.2-52.50000121.4
760S26.2Very low29.1Very low97 Ų97128.5 Ų128.568%0.67874%0.743SS**  70.4155.8121.4-56.20000124
761T30.2Very low29.4Very low128 Ų128127.8 Ų127.879%0.78574%0.743SS**  trans67.3148.5153.2430000119.9
762T27.4Very low29.8Very low115 Ų115127.8 Ų127.871%0.70674%0.737SS**  cis-176.8-179.4-35.418.50000108.4
763T31.3Very low30.1Very low122 Ų122129 Ų12975%0.74874%0.735SS**  trans74133.6172.263.80000116
764T29.5Very low30.1Very low120 Ų120125.8 Ų125.874%0.73673%0.729SS**  cis74.4152.442.876.30000113.5
765T31.5Very low30.3Very low108 Ų108122.6 Ų122.666%0.66372%0.722SS**  cis-164.814730.5-17.80000114.8
766T31Very low30.5Very low123 Ų123118.9 Ų118.976%0.75572%0.715SS**  trans63165.9143.247.10000122.6
767T32.9Very low30.6Very low109 Ų109119.2 Ų119.267%0.66972%0.718SS**  cis-163.1166.112.7-8.10000116.1
768T33.1Very low30.8Very low122 Ų122123 Ų12375%0.74873%0.726SS**  trans67.5154.8143.153.90000124.8
769T33.9Very low30.9Very low109 Ų109123.9 Ų123.967%0.66973%0.727SS**  cis-169.5159.3-45.2-21.60000112.3
770T32Very low31Very low120 Ų120124 Ų12474%0.73673%0.727SS**  trans67.2160.2148.353.30000122.3
771T32.8Very low31.1Very low112 Ų112126.1 Ų126.169%0.68773%0.731SS**  cis-172.8156.4-19.9350000115.2
772I34Very low31.1Very low141 Ų141125.4 Ų125.472%0.72373%0.731SS**  trans84.8109.7135-74.7165.6000125.5
773T31.5Very low31.1Very low111 Ų111127.1 Ų127.168%0.68174%0.735SS**  trans53.8125.6131.876.30000129.3
774T29.7Very low31Very low118 Ų118126.4 Ų126.472%0.72474%0.735SS**  77131.6123.858.70000127.7
775T31.3Very low31Very low121 Ų121129.4 Ų129.474%0.74274%0.741SS**  trans82.2107.8136.545.90000125.9
776S32.5Very low30.6Very low97 Ų97129.7 Ų129.768%0.67875%0.747SS**  82.9119.2121.670.80000126
777N29.7Very low31Very low145 Ų145128.7 Ų128.778%0.77574%0.743SS**  87.1131.7129.1-72-13000125
778Q31.3Very low30.6Very low181 Ų181131.7 Ų131.785%0.84675%0.748SS**  trans61.9126158.3-60.2173.915.100117.5
779K28.1Very low30.3Very low192 Ų192132.5 Ų132.584%0.83575%0.747SS**  cis105.2118.821.5-171.3-159.6176.7-172.20112.7
780V30.3Very low30.1Very low112 Ų112134.7 Ų134.768%0.67975%0.754SS**  trans162.9128.1136.7154.20000113.5
781D28.3Very low29.8Very low142 Ų142134.6 Ų134.676%0.75975%0.754SS**  trans68.3157.8152-64.23000127.4
782S30.8Very low29.5Very low113 Ų113135.4 Ų135.479%0.7976%0.759SS**  trans75.1130.7-171.672.50000116.3
783L28.7Very low29.1Very low152 Ų152136.1 Ų136.180%0.79676%0.759SS**  cis-154.8140.1-0.1-155.480000113.8
784S28.7Very low28.7Very low107 Ų107138 Ų13875%0.74876%0.758SS**  trans57.8157.2148.9570000124.1
785H28.8Very low28.5Very low183 Ų183138 Ų13885%0.84776%0.758SS**  trans-91.2145.1-176.9-69.6-103.6000115.2
786S24.2Very low28.3Very low114 Ų114137.2 Ų137.280%0.79775%0.753SS**  trans54.6170138.9-97.20000122.2
787P37.8Very low28.2Very low102 Ų102137.7 Ų137.766%0.66275%0.748SS**  cis-135.2173.3-17.336.9-18.9000116.2
788H24.9Very low28.3Very low171 Ų171140.2 Ų140.279%0.79275%0.746SS**  trans69.3139.3144.8-92.3-65.8000124.3
789I26.2Very low28.1Very low140 Ų140138.6 Ų138.672%0.71873%0.732SS**  trans88.3144145.5-72.1164.7000119.9
790N29.9Very low28.2Very low154 Ų154137.2 Ų137.282%0.82473%0.727SS**  trans83.7149170-74.4-12.7000121.1
791T26.1Very low27.9Very low119 Ų119135.6 Ų135.673%0.7373%0.726SS**  trans-113.5-174.4-173.548.20000110.7
792T27.1Very low27.8Very low128 Ų128136.9 Ų136.979%0.78573%0.731SS**  trans67.6140.2171.5600000116
793E24.3Very low27.4Very low157 Ų157136.7 Ų136.773%0.73473%0.73SS**  cis-162.9-173.7-18.5-148179.8-179.200109.4
794F24.9Very low27.2Very low151 Ų151134.8 Ų134.866%0.66273%0.73SS**  trans63.376159-85.8-78.1000121.2
795T25.7Very low27.1Very low118 Ų118137.6 Ų137.672%0.72474%0.735SS**  48.6160.399.6-370000121.6
796V26.6Very low27.1Very low104 Ų104133.2 Ų133.263%0.6373%0.725SS**  trans88.8101.7157.1-153.10000117.5
797N29.8Very low27.3Very low106 Ų106135.6 Ų135.657%0.56772%0.724SS**  160.1141.6121.2-91.3-74.7000110.2R799N797-R799 VanDerWaalsContact OD1-CZ 3.23Å; N797-R799 PolarHBondContact OD1-NE 2.81Å; N797-R799 PolarHBondContact OD1-NH2 2.96Å
798R31.7Very low27.1Very low198 Ų198136.8 Ų136.875%0.74773%0.732SS**  cis-124.5137.85-95.3154.6-153.7-1445.4109.6
799R27.9Very low27.2Very low147 Ų147138.1 Ų138.156%0.55573%0.73SS**  64.3145.377.8-59.8-175.8-131.8168.2-1.3113.1N797N797-R799 VanDerWaalsContact OD1-CZ 3.23Å; N797-R799 PolarHBondContact OD1-NE 2.81Å; N797-R799 PolarHBondContact OD1-NH2 2.96Å
800F29.2Very low27.2Very low163 Ų163138.2 Ų138.272%0.71573%0.731SS**  cis-124.5149.16.8-77.1-87000109.6
801A24.1Very low27.1Very low79 Ų79137.9 Ų137.965%0.65373%0.729SS**  59.5139.271.300000112.7
802L26.7Very low27.1Very low169 Ų169139.8 Ų139.889%0.88573%0.73SS**  cis-129.1178.739.9-72.3165.1000115.3
803S22.5Very low27.2Very low109 Ų109140.3 Ų140.376%0.76273%0.727SS**  trans-136177.1178-49.50000110.4
804S23.8Very low27.4Very low112 Ų112137 Ų13778%0.78373%0.727SS**  trans82165.3164.481.70000118.4
805L28.1Very low27.6Very low165 Ų165138.1 Ų138.186%0.86473%0.731SS**  trans72.3122.5-170.7-53.1169.3000114.8
806S27.9Very low27.5Very low92 Ų92137.1 Ų137.164%0.64374%0.735SS**  cis-164131.3-18.142.30000111
807E29.3Very low27.6Very low163 Ų163138.6 Ų138.676%0.76275%0.748SS**  trans-73.4141.1151.6-92.6-162.4123.200109.2R809E807-R809 WeakPolarHBondContact OE1-CD 3.14Å
808P32.9Very low27.6Very low128 Ų128137.4 Ų137.483%0.83175%0.753SS**  trans-114.284.4153.435-25.9000110.8
809R26.6Very low27.4Very low198 Ų198134.9 Ų134.975%0.74775%0.754SS**  trans-91.1119.2154.1-63.6-176.170-158.9-0.9108.3E807E807-R809 WeakPolarHBondContact OE1-CD 3.14Å
810L26Very low27.4Very low143 Ų143133.8 Ų133.875%0.74976%0.759SS**  trans-172.2160.4145.4-108156000113
811N27.5Very low27.4Very low146 Ų146136.1 Ų136.178%0.78176%0.763SS**  trans65.693-163.9-60.8-9000113.3
812E27.4Very low27.6Very low160 Ų160137.2 Ų137.275%0.74876%0.762SS**  cis54.1776.3-162169.7-12300117.4
813L28.5Very low27.4Very low139 Ų139136.9 Ų136.973%0.72876%0.756SS**  trans-179129.5149.7-100.7156.3000106.8K815L813-K815 HydrophobicContact CD2-CD 4.13Å; L813-K815 HydrophobicContact CD2-CG 4.42Å
814A28.9Very low27.6Very low88 Ų88139 Ų13973%0.72775%0.753SS**SBendcis-88.9147.3-1.200000111.6
815K28.5Very low27.8Very low174 Ų174138.5 Ų138.576%0.75775%0.75SS**  52.9112.465.9-61.2-178.6179.3178.10112.2L813L813-K815 HydrophobicContact CD2-CD 4.13Å; L813-K815 HydrophobicContact CD2-CG 4.42Å
816A24.5Very low27.6Very low97 Ų97141.7 Ų141.780%0.80275%0.75SS**  cis85.1101.838.400000115.1
817C27.3Very low27.4Very low134 Ų134143.2 Ų143.291%0.90576%0.756SS**  trans-174141.3148.5-92.10000106.8
818A29.6Very low27.2Very low82 Ų82146.9 Ų146.968%0.67876%0.762SS**  cis-139.4124-4.500000107.4
819L27.7Very low26.9Very low144 Ų144145.6 Ų145.675%0.75476%0.756SS**  72.5124.693-70.3167.9000116.2
820N27.8Very low26.9Very low125 Ų125143.1 Ų143.167%0.66876%0.764SS**  trans70.6147.5143.3-65.3-23.4000119.3
821R30Very low27Very low211 Ų211147 Ų14780%0.79677%0.768SS**  cis-151.5139.6-5-127.1171.4173.2171.7-3.8111.1
822V27.6Very low26.9Very low103 Ų103146.4 Ų146.462%0.62476%0.764SS**  49.9115.3129166.70000116.9
823Q23.5Very low26.9Very low162 Ų162145.4 Ų145.476%0.75776%0.764SS**  55.1157.765.6-56.1-163.20.300112.3
824H26.3Very low26.8Very low152 Ų152142.3 Ų142.370%0.70475%0.754SS**  cis-125.5-172.55.1-59.3-97.8000107.5
825S28.3Very low26.7Very low103 Ų103145.9 Ų145.972%0.7276%0.76SS**  cis-153.3159.913.767.30000107.2
826R23.8Very low26.6Very low231 Ų231142.7 Ų142.787%0.87276%0.76SS**  cis62.4131.331.8-84.1-155.4-179.2-173.42.4116.4
827V24.4Very low26.9Very low125 Ų125142.3 Ų142.376%0.75875%0.751SS**  cis-168.2143.7-29.41050000108.5
828R24Very low27.1Very low239 Ų239141.9 Ų141.990%0.90275%0.747SS**  trans41.8135.2149.9-146.6176.8-155.6150.43.5121.2
829S27Very low27.3Very low101 Ų101144.7 Ų144.771%0.70675%0.75SS**  trans-85146.9174.3177.40000114.4
830T26.4Very low28Very low147 Ų147142.9 Ų142.990%0.90275%0.747SS**  -171.7173.3125.419.70000112.3
831R27.3Very low27.9Very low224 Ų224144.7 Ų144.785%0.84575%0.752SS**  trans-124.6162.5-161.1-106.9-174.3173.9-171.4-0.7111.6
832L26.1Very low27.8Very low134 Ų134141.1 Ų141.170%0.70275%0.748SS**  cis-115.9-127.6-6.7-61.789.6000109.3
833N27.9Very low27.8Very low138 Ų138141.7 Ų141.774%0.73875%0.751SS**  cis-161.1-177.2-5.4-14333.8000110.2
834S26Very low28.3Very low75 Ų75143.1 Ų143.152%0.52476%0.755SS.*  -158.3130.6-81.1-76.40000113.4
835L26Very low28.4Very low162 Ų162141.2 Ų141.285%0.84875%0.754SS**  trans70.2164.1147.4-55.6173.3000118.8
836S26.7Very low28.4Very low108 Ų108144.6 Ų144.676%0.75576%0.756SS**  cis-142.3144.521.1-62.40000112.4
837S31.1Very low28.6Very low88 Ų88139.3 Ų139.362%0.61574%0.741SS**  76.414280.9-151.20000115.8
838P32Very low28.9Very low126 Ų126139.9 Ų139.982%0.81874%0.74SS**  -144.5160.1102.340.2-26.1000118
839D33.1Very low29.3Very low140 Ų140136.1 Ų136.175%0.74973%0.733SS**  trans-77.8-163.7172-65.8-78.4000112.3
840P42Very low29.5Very low106 Ų106137.7 Ų137.769%0.68873%0.73SS**  cis-160.5-175.72048.2-24.8000123
841Q26.3Very low29.8Very low164 Ų164137.4 Ų137.477%0.76672%0.722SS**  trans72.9153.4160.7-54.9-168.118.300118.5
842L28.5Very low30Very low136 Ų136134.6 Ų134.671%0.71272%0.718SS**  cis-149.2147.426.1-110.7108.8000114.7
843T28.1Very low30.3Very low114 Ų114132.8 Ų132.870%0.69972%0.717SS**  trans33.6130.7148.260.80000122.2
844K34Very low30.4Very low192 Ų192132.1 Ų132.184%0.83571%0.713SS**  -169.1147.876.6-92.6-177.5176.7179.60114.6
845V28.6Very low30.6Very low113 Ų113135.6 Ų135.669%0.68572%0.721SS**  trans33.1119.7134-173.70000118.3
846K27.5Very low30.7Very low173 Ų173133 Ų13375%0.75271%0.709SS**  cis84.7161.924.1-151.7-178.3164.2-67.60115.1
847E27.5Very low30.8Very low121 Ų121136.4 Ų136.457%0.56571%0.71SS**  trans70.6143.1-176.4-76.291.4-110.600113.9
848D30.5Very low30.7Very low137 Ų137142.1 Ų142.173%0.73372%0.723SS**  cis-144172.57.6-101.5-36.9000110
849E32Very low30.5Very low160 Ų160147.3 Ų147.375%0.74873%0.727SS**  cis-152.217210.6-119.5-160.7114.500106
850M31.2Very low30.2Very low134 Ų134144.7 Ų144.766%0.6672%0.72SS**  cis-165.6167.1-29.8-132.3-155.5-156.400108.4
851I33.3Very low29.5Very low141 Ų141145.9 Ų145.972%0.72372%0.72SS**  trans60.4138.9154.4-62.4162.3000118.4
852E31.7Very low29.5Very low164 Ų164147.2 Ų147.277%0.76672%0.719SS**  cis-169.7159.9-21.6-100.9-147.861.300106.5
853S32Very low29.4Very low97 Ų97148 Ų14868%0.67872%0.724SS**  cis-155.5-121.5-21.653.70000111.5
854D30.5Very low29.4Very low123 Ų123147.9 Ų147.966%0.65873%0.727SS**  -153.3165.4-129.2-161.414.5000117.5
855Q31Very low29.3Very low149 Ų149144.3 Ų144.370%0.69672%0.723SS**  trans78.694.9156.7-47.1-145.213.600123.9
856N28.2Very low29.3Very low108 Ų108145.6 Ų145.658%0.57873%0.725SS**  55.5115.4112.8-77.9-70.9000122.6
857K27.1Very low29.4Very low179 Ų179144.9 Ų144.978%0.77872%0.724SS**  51.8110.1125.2-60.1172.1-176133.30119.8
858K30.6Very low29.7Very low208 Ų208146.6 Ų146.690%0.90473%0.732SS**  -170.6132.4116.4-103152.3-173.6170.50114.9
859R27.1Very low29.3Very low234 Ų234147.6 Ų147.688%0.88373%0.732SS**  trans26.2115.4146.6-108.6-177.6179.8170.3-0.9120.7
860S25.8Very low29.4Very low86 Ų86145 Ų14560%0.60173%0.729SS**  55.4115.7127.364.20000121
861N27.6Very low29.4Very low131 Ų131144.8 Ų144.870%0.70174%0.735SS**  178.5145.393.6-100.7-14.4000116.4
862Y25.7Very low29.2Very low192 Ų192144.9 Ų144.975%0.75374%0.736SS**  trans53.7131.8146-71.1-62.5000125.6
863N27.4Very low29.2Very low152 Ų152144 Ų14481%0.81374%0.736SS**  trans98.8139.2139-65.5-12.2000122.3
864C28Very low29Very low112 Ų112150.1 Ų150.176%0.75774%0.744SS**  trans-104.5168.8174.1-44.60000111.7
865P32.7Very low29.2Very low116 Ų116149.2 Ų149.275%0.75375%0.745SS**  -120.1151.4119.7-324.4000111.3
866I28.1Very low29.1Very low141 Ų141149.8 Ų149.872%0.72375%0.748SS**  cis74.1135.945.1-58168.4000110.6
867Q29.8Very low29.2Very low158 Ų158152 Ų15274%0.73876%0.755SS**  cis-113-145.815.4-135.2142.4-96.700110.5
868H32.4Very low29.4Very low157 Ų157149.8 Ų149.873%0.72776%0.756SS**  cis-143.8174.74.2-144-80.7000112.8
869Q23.8Very low29.1Very low158 Ų158148.6 Ų148.674%0.73875%0.751SS**  trans-147-168.5-178-126.3-179.96.100108.9
870P33.9Very low29Very low106 Ų106144.4 Ų144.469%0.68875%0.745SS**  cis-94.6-154.218.8-6.932.4000113.1
871V29.9Very low28.8Very low129 Ų129144.4 Ų144.478%0.78275%0.745SS**  cis-128.7-145.417.7-157.60000112.1
872L29.3Very low28.8Very low143 Ų143147.4 Ų147.475%0.74975%0.752SS**  trans-160152.7-132.5-142.5163.6000113
873L31.2Very low28.8Very low144 Ų144144.9 Ų144.975%0.75475%0.752SS**  trans99.9125.4175-58.7176.2000114.2
874R28.3Very low28.7Very low226 Ų226141.7 Ų141.785%0.85375%0.747SS**  cis-138.5-105.7-13.7-163.6-179-173.31601.7113.7
875P34.8Very low28.7Very low104 Ų104143 Ų14368%0.67575%0.746SS**  trans-130.6-169.3-162.449.7-31.2000113.5
876Q29Very low28.3Very low161 Ų161147.3 Ų147.375%0.75275%0.748SS**  cis-132.91451.5-89.5-167.1-0.800111.8
877H30.8Very low28.2Very low156 Ų156151.7 Ų151.772%0.72276%0.755SS**  trans46.7139.7139.2-67.8-64000123.3
878T30.9Very low27.9Very low132 Ų132148.3 Ų148.381%0.8175%0.754SS**  cis-158.3-172.7-28.3-13.70000110.2
879K25.4Very low27.6Very low183 Ų183146 Ų14680%0.79676%0.756SS**  trans-103.7147.9-160.8-89.2178.9169.5-178.70118
880L23.2Very low27.6Very low145 Ų145145 Ų14576%0.75975%0.753SS**  trans79.7126.5134.3-76.3168.8000124.8
881S23Very low27.4Very low87 Ų87145.3 Ų145.361%0.60875%0.754SS**  trans58.7114.1137.165.30000122.3
882F27.9Very low27.3Very low193 Ų193147.1 Ų147.185%0.84675%0.752SS**  -163.8-168.787-116.1-82.8000111.7
883D25.1Very low27.1Very low139 Ų139146.7 Ų146.774%0.74375%0.75SS**  trans-62.5159-161.4-81.3-66.6000120.2
884A26Very low26.9Very low86 Ų86147.1 Ų147.171%0.71175%0.749SS**  trans61122.5145.700000122.8
885N26.4Very low26.9Very low138 Ų138140.8 Ų140.874%0.73874%0.739SS**  trans62.7102.3146.6-81.5-40.4000122
886R25.8Very low26.6Very low208 Ų208141.1 Ų141.179%0.78574%0.735SS**  72115.8121.2-69.7-178.4176.9-139.3-2.5122.1
887R25Very low26.6Very low232 Ų232144.2 Ų144.288%0.87574%0.74SS**  92.4157.1119.1-91.5-169.9162.5-145.9-4122.2
888A24.6Very low26.5Very low87 Ų87140.2 Ų140.272%0.71974%0.741SS**  trans74.1154.6166.200000114.8
889S25.1Very low26.1Very low109 Ų109142.5 Ų142.576%0.76274%0.743SS**  cis-150175.218.7-69.30000110.2
890M24.2Very low26.1Very low137 Ų137140.6 Ų140.668%0.67574%0.741SS**  cis-162.1-162.8-31.4-96-156.872.300106.2
891P29.9Very low26.1Very low112 Ų112138.3 Ų138.373%0.72774%0.736SS**SBend-130.8142.981.611.111.5000115.1
892F26.8Very low26.2Very low168 Ų168139.1 Ų139.174%0.73774%0.742SS**  trans6.6140.2151.1-56.5-88.2000119.5
893D26.4Very low26Very low133 Ų133137.6 Ų137.671%0.71174%0.742SS**  cis-159.7-170.27.6-125-17.1000110.4
894E25.9Very low26.7Very low154 Ų154136.2 Ų136.272%0.7274%0.743SS**  cis-153.1-172.78.6-142.5-150.911900112.5
895S28.6Very low26.5Very low93 Ų93138.7 Ų138.765%0.6574%0.744SS**  trans-13.4150.9153.2-66.50000121.2
896D28.9Very low26.4Very low111 Ų111143.4 Ų143.459%0.59475%0.752SS**  cis-166147.9-9-169.615000111.3
897R28.3Very low26.4Very low225 Ų225139 Ų13985%0.84975%0.753SS**  trans55.3161.7169-73.2163.4-125.7-117.3-7.8120
898G28.7Very low26.3Very low73 Ų73133.9 Ų133.975%0.75375%0.747SS**  cis170.2109.2-9.700000115.2
899E23.7Very low26.3Very low180 Ų180136.2 Ų136.284%0.84175%0.748SS**  trans41.2129.6155.6-65-163.2144.200126.9
900L24.6Very low26.2Very low143 Ų143135.3 Ų135.375%0.74974%0.741SS**  71.5112.5129.2-68.4170.7000125.5
901S22.9Very low26.3Very low96 Ų96133.3 Ų133.367%0.67174%0.741SS**  trans55.1109.1131.566.60000123.6
902S25.5Very low26.1Very low104 Ų104133 Ų13373%0.72774%0.741SS**  trans56.3111.8133.6660000121.8
903L24.3Very low26Very low162 Ų162132.6 Ų132.685%0.84875%0.746SS**  -161.9151.1104.4-131.572.6000111.5
904S38.5Very low25.9Very low110 Ų110133.7 Ų133.777%0.76975%0.751SS**  trans-91.5140.6174.5-46.70000110.9
905N22.6Very low26Very low137 Ų137129.9 Ų129.973%0.73375%0.753SS**  trans-163.4132.8164.2-105.4-23.3000116.5
906W23.8Very low25.9Very low238 Ų238132.4 Ų132.490%0.90276%0.758SS**  trans95153.1147.8-67.132.5000119.9
907S25.5Very low25.9Very low114 Ų114134.3 Ų134.380%0.79777%0.767SS**  trans-139.8-151.5-165.9-171.80000108.8
908V24.6Very low25.7Very low126 Ų126128.1 Ų128.176%0.76476%0.758SS**  trans78.2126.4-176.2-176.90000111.8
909D23.2Very low25.6Very low135 Ų135131.5 Ų131.572%0.72276%0.759SS**  cis-168-178.4-10.6-127.1-89.4000106.8
910S24.5Very low25.8Very low90 Ų90129.7 Ų129.763%0.62976%0.755SS**  cis-157.3-179.31.2-1530000112.5
911S25.8Very low25.8Very low96 Ų96130.9 Ų130.967%0.67176%0.755SS**  trans51.392.7147.166.50000121.8
912S24.5Very low26.1Very low104 Ų104135 Ų13573%0.72776%0.757SS**  18.6129.4125.661.70000122.2
913L26.4Very low26Very low160 Ų160137.2 Ų137.284%0.83876%0.756SS**  -166.9-179.8105.6-129.185.4000113.9
914L24Very low26Very low156 Ų156135.3 Ų135.382%0.81775%0.751SS**  trans-53.6155.7-175.4-76.961.8000116
915G27.4Very low25.3Very low74 Ų74137.1 Ų137.176%0.76375%0.747SS**  trans-155.8-10.6-177.700000123
916I27.2Very low25.4Very low147 Ų147139.1 Ų139.175%0.75475%0.751SS**  trans56.2116.4161.1-62.3179.7000120.3
917L27.6Very low25.5Very low151 Ų151135.1 Ų135.179%0.79174%0.742SS**  trans61.8106.8150.4-64.7169.7000123.2
918S25.2Very low25.4Very low94 Ų94136.9 Ų136.966%0.65774%0.743SS**  64.1120.6117.2-53.90000123.6
919N25.5Very low25.5Very low145 Ų145137.9 Ų137.978%0.77574%0.743SS**  trans64.5107.2146.4-60-5000120
920N27.5Very low25.7Very low142 Ų142136.3 Ų136.376%0.75974%0.743SS**  -177143102.6-94.9-31.7000116.1
921F26Very low25.8Very low168 Ų168138.5 Ų138.574%0.73775%0.753SS**  trans79.9110.9144.3-81.8-128.1000124
922Y27.9Very low26Very low181 Ų181140.2 Ų140.271%0.7175%0.753SS**  trans59.4101136.2-69.8-93.7000125.2
923Q23.4Very low26.3Very low152 Ų152142.1 Ų142.171%0.7176%0.76SS**  56.3114.3106.2-162.3-177.716.300122.1
924T24.7Very low26.6Very low122 Ų122142.7 Ų142.775%0.74876%0.759SS**  -179146.7113.326.60000115.7
925H23.5Very low27.4Very low147 Ų147139.9 Ų139.968%0.68175%0.752SS**  trans5.8131.9166.8-57-83.1000124
926H26.2Very low28.8Very low179 Ų179139.3 Ų139.383%0.82973%0.734SS**  -166.1170.286.4-112.7-86.2000114.1
927H24.1Very low30.7Very low154 Ų154136.1 Ų136.171%0.71372%0.715SS**  trans-83148-173.5-69.4-107.8000114.2
928N25.2Very low33Very low151 Ų151129.1 Ų129.181%0.80768%0.678SS**  -173.9156.792.5-122-30.9000117.8
929L24.8Very low35.6Very low147 Ų147127.5 Ų127.577%0.7766%0.664SS**  trans49.295.3150.7-159.570.7000120.8
930S29.4Very low38.3Very low103 Ų103124.6 Ų124.672%0.7264%0.642SS**  trans-142104.9146.457.40000111.2I932S930-I932 PolarHBondContact O-N 2.92Å
931T25.8Very low40.8Very low136 Ų136122.5 Ų122.583%0.83463%0.631SS**  trans-83.197-178-410000109.9
932I30.4Very low43.5Very low132 Ų132116.9 Ų116.968%0.67761%0.609SS**  trans-119.7134.6177.5-61.3179000109.4S930 Q934S930-I932 PolarHBondContact O-N 2.92Å; I932-Q934 PolarHBondContact O-N 3.41Å
933T29.4Very low46.2Very low143 Ų143108.3 Ų108.388%0.87758%0.575SS**  trans-68.388.5174.649.90000110.7S935T933-S935 PolarHBondContact O-N 3.17Å
934Q33.4Very low49Very low172 Ų172106.1 Ų106.180%0.80457%0.565SS**  trans-71.4118.6168.6-78.3-173.6-37.700109.8I932 V936I932-Q934 PolarHBondContact O-N 3.41Å; Q934-V936 PolarHBondContact O-N 3.27Å; Q934-V936 VanDerWaalsContact O-N 3.17Å
935S41.8Very low51.8Low98 Ų98108.1 Ų108.169%0.68556%0.559SS**  trans-61.9114.5166.656.40000109.1T933 K937T933-S935 PolarHBondContact O-N 3.17Å; S935-K937 VanDerWaalsContact C-N 3.31Å; S935-K937 PolarHBondContact O-N 3.49Å
936V55Low54.7Low62 Ų62102.2 Ų102.238%0.37653%0.532SS..  trans-75.577.8-170.6-173.70000111.1Q205 W728 Q934Q205-V936 HydrophobicContact CB-CG1 3.9Å; Q205-V936 HydrophobicContact CG-CG1 3.37Å; W728-V936 WeakPolarHBondContact CH2-O 3.43Å; Q934-V936 PolarHBondContact O-N 3.27Å; Q934-V936 VanDerWaalsContact O-N 3.17Å
937K67.4Low57.5Low80 Ų8094 Ų9435%0.34850%0.495SS..PPolyproline II helixtrans-70.6141.2171.6-71.9-179.6172.2178.20110.5T681 D685 S935T681-K937 HydrophobicContact CG2-CB 4.44Å; T681-K937 HydrophobicContact CG2-CD 4.33Å; T681-K937 HydrophobicContact CG2-CG 4.12Å; D685-K937 IonicContact OD1-NZ 3.74Å; D685-K937 PolarHBondContact OD1-NZ 2.98Å; D685-K937 IonicContact OD2-NZ 3.31Å; D685-K937 PolarHBondContact OD2-NZ 2.88Å; S935-K937 VanDerWaalsContact C-N 3.31Å; S935-K937 PolarHBondContact O-N 3.49Å
938I76.8Confident60.2Low3 Ų394.5 Ų94.52%0.01550%0.497CS..PPolyproline II helixtrans-85.1116.3162.9-59.7177.4000106.9P203 Q205 L206 I677 V678 D942P203-I938 HydrophobicContact CB-CD1 4.28Å; Q205-I938 HydrophobicContact CB-CD1 3.95Å; Q205-I938 HydrophobicContact CB-CG1 3.59Å; Q205-I938 HydrophobicContact CG-CG1 3.88Å; L206-I938 HydrophobicContact CD2-CD1 3.85Å; L206-I938 HydrophobicContact CG-CD1 4.04Å; I677-I938 HydrophobicContact CD1-CD1 4.41Å; I677-I938 HydrophobicContact CG2-CB 4.22Å; I677-I938 HydrophobicContact CG2-CD1 4.39Å; V678-I938 HydrophobicContact CG2-CG2 4.16Å; I938-D942 HydrophobicContact CG2-CB 4.43Å
939T80.2Confident63Low61 Ų6190.8 Ų90.837%0.37448%0.483SS..PPolyproline II helixtrans-89169.1178.969.30000111.9D941 D942 L943T939-D941 VanDerWaalsContact C-N 3.3Å; T939-D941 PolarHBondContact O-N 2.82Å; T939-D941 PolarHBondContact OG1-N 3.26Å; T939-D942 WeakPolarHBondContact CB-OD2 3.37Å; T939-D942 PolarHBondContact N-OD2 3.43Å; T939-D942 PolarHBondContact O-N 2.99Å; T939-D942 PolarHBondContact OG1-N 3.41Å; T939-D942 VanDerWaalsContact OG1-N 3.14Å; T939-D942 PolarHBondContact OG1-OD2 3.1Å; T939-L943 PolarHBondContact O-N 2.73Å
940R81.6Confident65.8Low83 Ų8384.3 Ų84.331%0.31345%0.449SS..Hα-helixtrans-61.1-40.4170.3-169.4-175.8-62.1167.8-2.7111.6V678 E682 D942 L943 E944 F966V678-R940 HydrophobicContact CG1-CB 4.07Å; E682-R940 IonicContact OE1-CZ 2.71Å; E682-R940 VanDerWaalsContact OE1-CZ 3.24Å; E682-R940 IonicContact OE1-NE 2.69Å; E682-R940 PolarHBondContact OE1-NE 3.04Å; E682-R940 IonicContact OE1-NH2 3.91Å; E682-R940 PolarHBondContact OE1-NH2 3.2Å; E682-R940 IonicContact OE2-CZ 3.9Å; E682-R940 IonicContact OE2-NH2 2.7Å; E682-R940 PolarHBondContact OE2-NH2 3.44Å; R940-D942 PolarHBondContact O-N 2.65Å; R940-L943 CarbonylContact O-C 3.56Å; R940-L943 WeakPolarHBondContact O-CB 2.91Å; R940-L943 PolarHBondContact O-N 3.09Å; R940-L943 VanDerWaalsContact O-N 3.11Å; R940-E944 HydrophobicContact CG-CG 4.42Å; R940-E944 PolarHBondContact O-N 3.37Å; R940-F966 VanDerWaalsContact NH2-CD2 3.34Å; R940-F966 VanDerWaalsContact NH2-CE2 3.31Å
941D80.5Confident68.6Low98 Ų9880.5 Ų80.552%0.52442%0.422SS..Hα-helixtrans-64.9-38.2179.9-65.419.3000112.2T939 L943 R945T939-D941 VanDerWaalsContact C-N 3.3Å; T939-D941 PolarHBondContact O-N 2.82Å; T939-D941 PolarHBondContact OG1-N 3.26Å; D941-L943 VanDerWaalsContact C-N 3.28Å; D941-L943 PolarHBondContact O-N 3.03Å; D941-R945 VanDerWaalsContact O-CG 3.25Å; D941-R945 WeakPolarHBondContact O-CG 3.49Å; D941-R945 PolarHBondContact O-N 3.1Å; D941-R945 VanDerWaalsContact O-N 3.09Å
942D81.6Confident71.4Confident50 Ų5079.5 Ų79.527%0.26742%0.415SS..Hα-helixtrans-61.3-41.3172.3-62.5-54.8000110.9I938 T939 R940 R945 L946I938-D942 HydrophobicContact CG2-CB 4.43Å; T939-D942 WeakPolarHBondContact CB-OD2 3.37Å; T939-D942 PolarHBondContact N-OD2 3.43Å; T939-D942 PolarHBondContact O-N 2.99Å; T939-D942 PolarHBondContact OG1-N 3.41Å; T939-D942 VanDerWaalsContact OG1-N 3.14Å; T939-D942 PolarHBondContact OG1-OD2 3.1Å; R940-D942 PolarHBondContact O-N 2.65Å; D942-R945 PolarHBondContact O-N 3.42Å; D942-L946 WeakPolarHBondContact O-CB 3.23Å; D942-L946 PolarHBondContact O-N 3.33Å
943L84.3Confident74.2Confident2 Ų277.8 Ų77.81%0.0141%0.407CS..Hα-helixtrans-72.4-39-178.7-168.256.3000111.9L674 V678 T939 R940 D941 R945 L946 M947 L958 L962L674-L943 HydrophobicContact CB-CD1 3.91Å; L674-L943 HydrophobicContact CB-CD2 4.35Å; L674-L943 HydrophobicContact CD1-CD1 3.87Å; L674-L943 HydrophobicContact CG-CD1 4.34Å; V678-L943 HydrophobicContact CB-CD2 4.41Å; V678-L943 HydrophobicContact CG2-CB 4.45Å; V678-L943 HydrophobicContact CG2-CD2 3.6Å; T939-L943 PolarHBondContact O-N 2.73Å; R940-L943 CarbonylContact O-C 3.56Å; R940-L943 WeakPolarHBondContact O-CB 2.91Å; R940-L943 PolarHBondContact O-N 3.09Å; R940-L943 VanDerWaalsContact O-N 3.11Å; D941-L943 VanDerWaalsContact C-N 3.28Å; D941-L943 PolarHBondContact O-N 3.03Å; L943-R945 VanDerWaalsContact C-N 3.28Å; L943-R945 PolarHBondContact O-N 2.86Å; L943-L946 HydrophobicContact CD1-CD2 4.01Å; L943-L946 WeakPolarHBondContact O-CB 3.27Å; L943-L946 PolarHBondContact O-N 2.72Å; L943-M947 HydrophobicContact CG-SD 4.35Å; L943-M947 WeakPolarHBondContact O-CB 3.38Å; L943-M947 WeakPolarHBondContact O-CG 3.39Å; L943-M947 PolarHBondContact O-N 2.7Å; L943-L958 HydrophobicContact CD1-CD1 4.45Å; L943-L958 HydrophobicContact CD1-CD2 3.67Å; L943-L958 HydrophobicContact CD1-CG 4.48Å; L943-L958 HydrophobicContact CD2-CD1 4.09Å; L943-L958 HydrophobicContact CD2-CG 4.5Å; L943-L958 HydrophobicContact CG-CD1 4.49Å; L943-L958 HydrophobicContact CG-CD2 4.03Å; L943-L958 HydrophobicContact CG-CG 4.45Å; L943-L962 HydrophobicContact CD2-CD1 3.82Å; L943-L962 HydrophobicContact CD2-CD2 3.83Å; L943-L962 HydrophobicContact CD2-CG 4.27Å; L943-L962 HydrophobicContact CG-CD1 4.34Å
944E83.3Confident77Confident106 Ų10671.6 Ų71.650%0.49537%0.369SS..Hα-helixtrans-66.4-27.3173.2-75-170.7-162.500112.9R940 M947 Q948R940-E944 HydrophobicContact CG-CG 4.42Å; R940-E944 PolarHBondContact O-N 3.37Å; E944-M947 HydrophobicContact CG-SD 4.36Å; E944-Q948 PolarHBondContact O-NE2 2.76Å
945R82.8Confident79.6Confident163 Ų16363.8 Ų63.862%0.61533%0.333SS*.Hα-helixtrans-72.1-48.8167.5-66.9167.2-158-164.27111.2D941 D942 L943 M947 Q948D941-R945 VanDerWaalsContact O-CG 3.25Å; D941-R945 WeakPolarHBondContact O-CG 3.49Å; D941-R945 PolarHBondContact O-N 3.1Å; D941-R945 VanDerWaalsContact O-N 3.09Å; D942-R945 PolarHBondContact O-N 3.42Å; L943-R945 VanDerWaalsContact C-N 3.28Å; L943-R945 PolarHBondContact O-N 2.86Å; R945-M947 PolarHBondContact O-N 3.29Å; R945-Q948 WeakPolarHBondContact O-CB 3.38Å; R945-Q948 PolarHBondContact O-N 2.78Å
946L83.7Confident81.9Confident24 Ų2463.1 Ų63.113%0.12632%0.322CS..Hα-helixtrans-56.8-33.8176.8-163.880.7000112.2P201 P203 L674 D942 L943 Q948 S949 M950P201-L946 HydrophobicContact CB-CD1 4.11Å; P201-L946 HydrophobicContact CG-CD1 3.85Å; P201-L946 HydrophobicContact CG-CG 4.18Å; P203-L946 HydrophobicContact CG-CD1 4.14Å; P203-L946 HydrophobicContact CG-CD2 3.67Å; L674-L946 HydrophobicContact CD1-CD2 3.85Å; D942-L946 WeakPolarHBondContact O-CB 3.23Å; D942-L946 PolarHBondContact O-N 3.33Å; L943-L946 HydrophobicContact CD1-CD2 4.01Å; L943-L946 WeakPolarHBondContact O-CB 3.27Å; L943-L946 PolarHBondContact O-N 2.72Å; L946-Q948 PolarHBondContact O-N 3.18Å; L946-S949 PolarHBondContact O-N 3.22Å; L946-S949 VanDerWaalsContact O-N 3.09Å; L946-S949 PolarHBondContact O-OG 2.99Å; L946-M950 HydrophobicContact CB-CE 4.15Å; L946-M950 HydrophobicContact CD2-CE 3.7Å; L946-M950 HydrophobicContact CD2-SD 4.39Å; L946-M950 HydrophobicContact CG-CE 3.83Å; L946-M950 PolarHBondContact O-N 3.2Å
947M85.1Confident83.5Confident7 Ų761.7 Ų61.73%0.03431%0.312CS..THydrogen-bonded Turntrans-66.1-12.4176.5-76.8163.784.500114.9L943 E944 R945 M950 S955 L958 R959 L962L943-M947 HydrophobicContact CG-SD 4.35Å; L943-M947 WeakPolarHBondContact O-CB 3.38Å; L943-M947 WeakPolarHBondContact O-CG 3.39Å; L943-M947 PolarHBondContact O-N 2.7Å; E944-M947 HydrophobicContact CG-SD 4.36Å; R945-M947 PolarHBondContact O-N 3.29Å; M947-M950 HydrophobicContact CB-CE 4.43Å; M947-M950 HydrophobicContact CG-CE 3.83Å; M947-S955 VanDerWaalsContact CE-O 3.22Å; M947-S955 WeakPolarHBondContact CE-O 3.38Å; M947-S955 PolarHBondContact O-OG 3.35Å; M947-L958 HydrophobicContact CE-CB 4.29Å; M947-L958 HydrophobicContact CE-CD2 4.5Å; M947-L958 HydrophobicContact CE-CG 4.2Å; M947-L958 HydrophobicContact CG-CD2 3.46Å; M947-L958 VanDerWaalsContact CG-CD2 3.46Å; M947-L958 HydrophobicContact CG-CG 4.16Å; M947-L958 HydrophobicContact SD-CD2 3.89Å; M947-L958 HydrophobicContact SD-CG 3.99Å; M947-R959 HydrophobicContact CE-CB 3.5Å; M947-R959 HydrophobicContact CE-CG 4.04Å; M947-L962 HydrophobicContact SD-CD1 4.12Å
948Q82.5Confident84.5Confident164 Ų16457.9 Ų57.977%0.76630%0.296SS*.THydrogen-bonded Turntrans-83-26.5172-57.3172.928.300111.5E944 R945 L946E944-Q948 PolarHBondContact O-NE2 2.76Å; R945-Q948 WeakPolarHBondContact O-CB 3.38Å; R945-Q948 PolarHBondContact O-N 2.78Å; L946-Q948 PolarHBondContact O-N 3.18Å
949S82.6Confident85Confident72 Ų7262.8 Ų62.850%0.50331%0.314SS..SBendtrans-97.43.4177.546.90000114.5L946L946-S949 PolarHBondContact O-N 3.22Å; L946-S949 VanDerWaalsContact O-N 3.09Å; L946-S949 PolarHBondContact O-OG 2.99Å
950M84.1Confident85.4Confident12 Ų1264 Ų646%0.05932%0.317CS..SBendtrans-104.3148.7179.3-87.6-174.6-71.100112.7L200 P201 Y670 L946 M947 I954 L958L200-M950 HydrophobicContact CD2-CG 4.42Å; L200-M950 HydrophobicContact CD2-SD 4.5Å; P201-M950 HydrophobicContact CG-CG 4.07Å; Y670-M950 HydrophobicContact CE1-SD 4.44Å; L946-M950 HydrophobicContact CB-CE 4.15Å; L946-M950 HydrophobicContact CD2-CE 3.7Å; L946-M950 HydrophobicContact CD2-SD 4.39Å; L946-M950 HydrophobicContact CG-CE 3.83Å; L946-M950 PolarHBondContact O-N 3.2Å; M947-M950 HydrophobicContact CB-CE 4.43Å; M947-M950 HydrophobicContact CG-CE 3.83Å; M950-I954 HydrophobicContact SD-CG2 4.21Å; M950-L958 HydrophobicContact CE-CD2 3.36Å; M950-L958 HydrophobicContact SD-CD2 4.35Å
951P87.6Confident85.5Confident23 Ų2361.9 Ų61.915%0.14931%0.311CS..  trans-46.3138.1170.6-32.937.4000113E199 N953 I954 S955E199-P951 HydrophobicContact CB-CG 3.65Å; E199-P951 WeakPolarHBondContact O-CD 3.05Å; P951-N953 VanDerWaalsContact C-N 3.27Å; P951-N953 WeakPolarHBondContact CB-OD1 3.33Å; P951-N953 PolarHBondContact O-N 3.21Å; P951-I954 HydrophobicContact CB-CG1 4.39Å; P951-I954 PolarHBondContact O-N 2.89Å; P951-S955 WeakPolarHBondContact O-CB 3.4Å; P951-S955 PolarHBondContact O-N 3.36Å
952T86.1Confident85.7Confident114 Ų11457.6 Ų57.670%0.69929%0.288SS*.Hα-helixtrans-63-32.3-167.957.70000113.2N956T952-N956 WeakPolarHBondContact O-CB 3.2Å; T952-N956 PolarHBondContact O-N 2.61Å; T952-N956 PolarHBondContact O-ND2 3.2Å; T952-N956 VanDerWaalsContact O-ND2 3.07Å
953N88.2Confident85.8Confident96 Ų9660.4 Ų60.451%0.51330%0.303SS..Hα-helixtrans-61.9-48.2171.357.5-15.8000112.2P951 L957P951-N953 VanDerWaalsContact C-N 3.27Å; P951-N953 WeakPolarHBondContact CB-OD1 3.33Å; P951-N953 PolarHBondContact O-N 3.21Å; N953-L957 WeakPolarHBondContact O-CB 2.89Å; N953-L957 PolarHBondContact O-N 2.73Å
954I88.6Confident85.5Confident13 Ų1364.2 Ų64.27%0.06732%0.319CS..Hα-helixtrans-72.3-41.4179.9-56.9-52.5000111.1L200 P668 A671 M950 P951 N956 L957 L958L200-I954 HydrophobicContact CD2-CB 4.43Å; L200-I954 HydrophobicContact CD2-CG1 4.3Å; L200-I954 HydrophobicContact CD2-CG2 4.02Å; P668-I954 HydrophobicContact CG-CD1 4.17Å; A671-I954 HydrophobicContact CB-CG2 4.01Å; M950-I954 HydrophobicContact SD-CG2 4.21Å; P951-I954 HydrophobicContact CB-CG1 4.39Å; P951-I954 PolarHBondContact O-N 2.89Å; I954-N956 VanDerWaalsContact C-N 3.33Å; I954-N956 PolarHBondContact O-N 2.73Å; I954-L957 PolarHBondContact O-N 3.45Å; I954-L958 VanDerWaalsContact O-CB 3.23Å; I954-L958 WeakPolarHBondContact O-CB 3.34Å; I954-L958 PolarHBondContact O-N 2.77Å
955S88Confident84.8Confident8 Ų859.9 Ų59.96%0.05630%0.301CS..Hα-helixtrans-59.3-41.5173.4-176.80000111.7M947 P951 R959M947-S955 VanDerWaalsContact CE-O 3.22Å; M947-S955 WeakPolarHBondContact CE-O 3.38Å; M947-S955 PolarHBondContact O-OG 3.35Å; P951-S955 WeakPolarHBondContact O-CB 3.4Å; P951-S955 PolarHBondContact O-N 3.36Å; S955-R959 WeakPolarHBondContact O-CB 3.38Å; S955-R959 PolarHBondContact O-N 3.04Å
956N89.1Confident83.9Confident85 Ų8553.3 Ų53.346%0.45528%0.277SS..Hα-helixtrans-70.9-41.8175.2-75.3-29.4000113.1T952 I954 L958 R959 I960T952-N956 WeakPolarHBondContact O-CB 3.2Å; T952-N956 PolarHBondContact O-N 2.61Å; T952-N956 PolarHBondContact O-ND2 3.2Å; T952-N956 VanDerWaalsContact O-ND2 3.07Å; I954-N956 VanDerWaalsContact C-N 3.33Å; I954-N956 PolarHBondContact O-N 2.73Å; N956-L958 VanDerWaalsContact C-N 3.33Å; N956-L958 PolarHBondContact O-N 2.87Å; N956-R959 PolarHBondContact O-N 3.05Å; N956-R959 PolarHBondContact OD1-NH1 3.23Å; N956-I960 VanDerWaalsContact O-CG1 3.31Å; N956-I960 WeakPolarHBondContact O-CG1 3.46Å; N956-I960 PolarHBondContact O-N 3.38Å
957L89.4Confident82.8Confident31 Ų3154.4 Ų54.416%0.16229%0.286CS..Hα-helixtrans-59.2-45.6173.7176.362.6000111.2P668 A671 N953 I954 R959 I960 E961P668-L957 HydrophobicContact CB-CD2 3.75Å; P668-L957 HydrophobicContact CG-CD2 4.46Å; A671-L957 HydrophobicContact CB-CD2 4.46Å; N953-L957 WeakPolarHBondContact O-CB 2.89Å; N953-L957 PolarHBondContact O-N 2.73Å; I954-L957 PolarHBondContact O-N 3.45Å; L957-R959 VanDerWaalsContact C-N 3.34Å; L957-R959 PolarHBondContact O-N 3.46Å; L957-I960 WeakPolarHBondContact O-CB 3.32Å; L957-I960 PolarHBondContact O-N 3.05Å; L957-I960 VanDerWaalsContact O-N 3.14Å; L957-E961 HydrophobicContact CD1-CG 4.12Å; L957-E961 HydrophobicContact CG-CG 4.46Å; L957-E961 WeakPolarHBondContact O-CG 3.32Å; L957-E961 PolarHBondContact O-N 2.72Å
958L88.1Confident81.1Confident0 Ų057.9 Ų57.90%031%0.305CS..Hα-helixtrans-59.7-43.3176.8-178.455.8000111.9A671 L674 A675 L943 M947 M950 I954 N956 I960 E961 L962A671-L958 HydrophobicContact CB-CB 4.1Å; A671-L958 HydrophobicContact CB-CD1 4.27Å; A671-L958 VanDerWaalsContact O-CD1 3.28Å; A671-L958 WeakPolarHBondContact O-CD1 3.38Å; L674-L958 HydrophobicContact CB-CD1 4.18Å; A675-L958 HydrophobicContact CB-CD1 4.12Å; L943-L958 HydrophobicContact CD1-CD1 4.45Å; L943-L958 HydrophobicContact CD1-CD2 3.67Å; L943-L958 HydrophobicContact CD1-CG 4.48Å; L943-L958 HydrophobicContact CD2-CD1 4.09Å; L943-L958 HydrophobicContact CD2-CG 4.5Å; L943-L958 HydrophobicContact CG-CD1 4.49Å; L943-L958 HydrophobicContact CG-CD2 4.03Å; L943-L958 HydrophobicContact CG-CG 4.45Å; M947-L958 HydrophobicContact CE-CB 4.29Å; M947-L958 HydrophobicContact CE-CD2 4.5Å; M947-L958 HydrophobicContact CE-CG 4.2Å; M947-L958 HydrophobicContact CG-CD2 3.46Å; M947-L958 VanDerWaalsContact CG-CD2 3.46Å; M947-L958 HydrophobicContact CG-CG 4.16Å; M947-L958 HydrophobicContact SD-CD2 3.89Å; M947-L958 HydrophobicContact SD-CG 3.99Å; M950-L958 HydrophobicContact CE-CD2 3.36Å; M950-L958 HydrophobicContact SD-CD2 4.35Å; I954-L958 VanDerWaalsContact O-CB 3.23Å; I954-L958 WeakPolarHBondContact O-CB 3.34Å; I954-L958 PolarHBondContact O-N 2.77Å; N956-L958 VanDerWaalsContact C-N 3.33Å; N956-L958 PolarHBondContact O-N 2.87Å; L958-I960 VanDerWaalsContact C-N 3.3Å; L958-I960 PolarHBondContact O-N 3.21Å; L958-E961 PolarHBondContact O-N 3Å; L958-L962 HydrophobicContact CD1-CD1 4.38Å; L958-L962 HydrophobicContact CD1-CG 4.4Å; L958-L962 HydrophobicContact CG-CD1 4.24Å; L958-L962 WeakPolarHBondContact O-CB 3.38Å; L958-L962 VanDerWaalsContact O-CG 3.27Å; L958-L962 WeakPolarHBondContact O-CG 3.43Å; L958-L962 PolarHBondContact O-N 3.35Å
959R88.2Confident79.9Confident107 Ų10752.5 Ų52.540%0.40428%0.279SS..Hα-helixtrans-61.3-38.4174.7-160.4171.1-73.9102.93.4112.1M947 S955 N956 L957 N963M947-R959 HydrophobicContact CE-CB 3.5Å; M947-R959 HydrophobicContact CE-CG 4.04Å; S955-R959 WeakPolarHBondContact O-CB 3.38Å; S955-R959 PolarHBondContact O-N 3.04Å; N956-R959 PolarHBondContact O-N 3.05Å; N956-R959 PolarHBondContact OD1-NH1 3.23Å; L957-R959 VanDerWaalsContact C-N 3.34Å; L957-R959 PolarHBondContact O-N 3.46Å; R959-N963 WeakPolarHBondContact O-CB 3.39Å; R959-N963 VanDerWaalsContact O-CG 3.26Å; R959-N963 PolarHBondContact O-N 2.98Å; R959-N963 VanDerWaalsContact O-N 3.07Å; R959-N963 PolarHBondContact O-ND2 3.39Å; R959-N963 VanDerWaalsContact O-ND2 3.13Å
960I87.2Confident78.3Confident86 Ų8657 Ų5744%0.44129%0.29SS..Hα-helixtrans-68-47.6176.4-70.9163.5000111.1N956 L957 L958 N963 K964N956-I960 VanDerWaalsContact O-CG1 3.31Å; N956-I960 WeakPolarHBondContact O-CG1 3.46Å; N956-I960 PolarHBondContact O-N 3.38Å; L957-I960 WeakPolarHBondContact O-CB 3.32Å; L957-I960 PolarHBondContact O-N 3.05Å; L957-I960 VanDerWaalsContact O-N 3.14Å; L958-I960 VanDerWaalsContact C-N 3.3Å; L958-I960 PolarHBondContact O-N 3.21Å; I960-N963 PolarHBondContact O-N 3.31Å; I960-K964 HydrophobicContact CG2-CD 4.08Å; I960-K964 HydrophobicContact CG2-CG 4.44Å; I960-K964 WeakPolarHBondContact O-CB 3.45Å; I960-K964 WeakPolarHBondContact O-CG 3.49Å; I960-K964 PolarHBondContact O-N 3.34Å
961E84.2Confident76.2Confident38 Ų3863 Ų6318%0.17832%0.322CS..Hα-helixtrans-67.8-37.3-179.6-63.8-53.4129.100112.3R672 A675 L957 L958 K964 S965R672-E961 HydrophobicContact CG-CG 4.29Å; A675-E961 HydrophobicContact CB-CB 3.98Å; L957-E961 HydrophobicContact CD1-CG 4.12Å; L957-E961 HydrophobicContact CG-CG 4.46Å; L957-E961 WeakPolarHBondContact O-CG 3.32Å; L957-E961 PolarHBondContact O-N 2.72Å; L958-E961 PolarHBondContact O-N 3Å; E961-K964 IonicContact OE1-NZ 2.99Å; E961-K964 PolarHBondContact OE1-NZ 3.05Å; E961-K964 IonicContact OE2-NZ 2.75Å; E961-S965 VanDerWaalsContact O-CB 3.32Å; E961-S965 WeakPolarHBondContact O-CB 3.22Å; E961-S965 PolarHBondContact O-N 2.76Å
962L84.6Confident73.9Confident8 Ų864.5 Ų64.54%0.04233%0.33CS..Hα-helixtrans-57.5-54.3168.4-72.4167.4000110.6A675 V678 L943 M947 L958 K964 S965 F966A675-L962 HydrophobicContact CB-CD2 4.2Å; A675-L962 HydrophobicContact CB-CG 4.34Å; V678-L962 HydrophobicContact CB-CD2 4.27Å; V678-L962 HydrophobicContact CG1-CD2 4.42Å; L943-L962 HydrophobicContact CD2-CD1 3.82Å; L943-L962 HydrophobicContact CD2-CD2 3.83Å; L943-L962 HydrophobicContact CD2-CG 4.27Å; L943-L962 HydrophobicContact CG-CD1 4.34Å; M947-L962 HydrophobicContact SD-CD1 4.12Å; L958-L962 HydrophobicContact CD1-CD1 4.38Å; L958-L962 HydrophobicContact CD1-CG 4.4Å; L958-L962 HydrophobicContact CG-CD1 4.24Å; L958-L962 WeakPolarHBondContact O-CB 3.38Å; L958-L962 VanDerWaalsContact O-CG 3.27Å; L958-L962 WeakPolarHBondContact O-CG 3.43Å; L958-L962 PolarHBondContact O-N 3.35Å; L962-K964 PolarHBondContact O-N 2.87Å; L962-S965 WeakPolarHBondContact O-CA 3.25Å; L962-S965 WeakPolarHBondContact O-CB 3.33Å; L962-S965 PolarHBondContact O-N 3Å; L962-S965 PolarHBondContact O-OG 2.8Å; L962-F966 HydrophobicContact CB-CD2 4.42Å; L962-F966 HydrophobicContact CB-CE2 4.07Å; L962-F966 HydrophobicContact CD2-CE2 3.84Å; L962-F966 HydrophobicContact CD2-CZ 4.36Å; L962-F966 WeakPolarHBondContact O-CD2 3.3Å; L962-F966 PolarHBondContact O-N 3.04Å; L962-F966 VanDerWaalsContact O-N 3.12Å
963N83.1Confident71.4Confident109 Ų10963.6 Ų63.658%0.58333%0.329SS*.Hα-helixtrans-59-42.2-179.5-77.5-29.8000113.4R959 I960 S965 F966 S967R959-N963 WeakPolarHBondContact O-CB 3.39Å; R959-N963 VanDerWaalsContact O-CG 3.26Å; R959-N963 PolarHBondContact O-N 2.98Å; R959-N963 VanDerWaalsContact O-N 3.07Å; R959-N963 PolarHBondContact O-ND2 3.39Å; R959-N963 VanDerWaalsContact O-ND2 3.13Å; I960-N963 PolarHBondContact O-N 3.31Å; N963-S965 VanDerWaalsContact C-N 3.28Å; N963-S965 PolarHBondContact O-N 3.02Å; N963-F966 PolarHBondContact O-N 2.92Å; N963-S967 PolarHBondContact O-N 3.1Å; N963-S967 VanDerWaalsContact O-N 3.13Å
964K79.6Confident68.5Low82 Ų8268.4 Ų68.436%0.35735%0.346SS..Hα-helixtrans-58.7-39.3171.9-75171.9177.4176.30112I960 E961 L962 F966 S967I960-K964 HydrophobicContact CG2-CD 4.08Å; I960-K964 HydrophobicContact CG2-CG 4.44Å; I960-K964 WeakPolarHBondContact O-CB 3.45Å; I960-K964 WeakPolarHBondContact O-CG 3.49Å; I960-K964 PolarHBondContact O-N 3.34Å; E961-K964 IonicContact OE1-NZ 2.99Å; E961-K964 PolarHBondContact OE1-NZ 3.05Å; E961-K964 IonicContact OE2-NZ 2.75Å; L962-K964 PolarHBondContact O-N 2.87Å; K964-F966 VanDerWaalsContact C-N 3.28Å; K964-F966 PolarHBondContact O-N 3.09Å; K964-S967 PolarHBondContact O-OG 2.79Å
965S68.7Low65.6Low15 Ų1575 Ų7511%0.10538%0.38CS..Hα-helixtrans-69.6-25.8-179.284.90000113.1E961 L962 N963E961-S965 VanDerWaalsContact O-CB 3.32Å; E961-S965 WeakPolarHBondContact O-CB 3.22Å; E961-S965 PolarHBondContact O-N 2.76Å; L962-S965 WeakPolarHBondContact O-CA 3.25Å; L962-S965 WeakPolarHBondContact O-CB 3.33Å; L962-S965 PolarHBondContact O-N 3Å; L962-S965 PolarHBondContact O-OG 2.8Å; N963-S965 VanDerWaalsContact C-N 3.28Å; N963-S965 PolarHBondContact O-N 3.02Å
966F64Low62.8Low26 Ų2680 Ų8011%0.11441%0.412CS..Hα-helixtrans-100.5-18.6-175.5-61-54.9000116.1V678 E682 R940 L962 N963 K964 L968 F969V678-F966 HydrophobicContact CG1-CZ 4.24Å; E682-F966 HydrophobicContact CB-CE1 4.04Å; E682-F966 HydrophobicContact CG-CE1 4.2Å; E682-F966 HydrophobicContact CG-CZ 4.46Å; E682-F966 WeakPolarHBondContact OE1-CE1 3.45Å; E682-F966 WeakPolarHBondContact OE1-CZ 3.5Å; E682-F966 VanDerWaalsContact OE2-CE1 3.31Å; E682-F966 WeakPolarHBondContact OE2-CE1 3.09Å; R940-F966 VanDerWaalsContact NH2-CD2 3.34Å; R940-F966 VanDerWaalsContact NH2-CE2 3.31Å; L962-F966 HydrophobicContact CB-CD2 4.42Å; L962-F966 HydrophobicContact CB-CE2 4.07Å; L962-F966 HydrophobicContact CD2-CE2 3.84Å; L962-F966 HydrophobicContact CD2-CZ 4.36Å; L962-F966 WeakPolarHBondContact O-CD2 3.3Å; L962-F966 PolarHBondContact O-N 3.04Å; L962-F966 VanDerWaalsContact O-N 3.12Å; N963-F966 PolarHBondContact O-N 2.92Å; K964-F966 VanDerWaalsContact C-N 3.28Å; K964-F966 PolarHBondContact O-N 3.09Å; F966-L968 PolarHBondContact O-N 2.89Å; F966-F969 HydrophobicContact CD1-CD2 4.08Å; F966-F969 HydrophobicContact CD1-CE2 4.1Å; F966-F969 PolarHBondContact O-N 2.88Å
967S59.2Low59.8Low47 Ų4783.5 Ų83.533%0.32943%0.431SS..Hα-helixtrans-55.5-38.9176.261.50000112.3N963 K964 F969 K970N963-S967 PolarHBondContact O-N 3.1Å; N963-S967 VanDerWaalsContact O-N 3.13Å; K964-S967 PolarHBondContact O-OG 2.79Å; S967-F969 VanDerWaalsContact C-N 3.33Å; S967-F969 PolarHBondContact O-N 3Å; S967-K970 PolarHBondContact O-N 3.27Å
968L51Low56.9Low79 Ų7987.6 Ų87.641%0.41446%0.462SS..Hα-helixtrans-68.6-23.1-175.3-68166.7000114.5F966F966-L968 PolarHBondContact O-N 2.89Å
969F56.1Low53.9Low52 Ų5292.8 Ų92.823%0.22850%0.498CS..Hα-helixtrans-75-36.5177-70.5-83.1000112.3F683 M686 F966 S967 N971 T972F683-F969 HydrophobicContact CB-CE1 4.43Å; F683-F969 HydrophobicContact CB-CZ 4.02Å; F683-F969 AromaticContact CD2-CE1 3.79Å; F683-F969 HydrophobicContact CD2-CE1 3.79Å; F683-F969 AromaticContact CD2-CZ 3.89Å; F683-F969 HydrophobicContact CD2-CZ 3.89Å; F683-F969 HydrophobicContact CG-CZ 4.46Å; M686-F969 HydrophobicContact CE-CE1 4.17Å; M686-F969 HydrophobicContact CG-CD1 4.45Å; M686-F969 HydrophobicContact SD-CD1 3.55Å; M686-F969 VanDerWaalsContact SD-CD1 3.55Å; M686-F969 HydrophobicContact SD-CE1 3.64Å; F966-F969 HydrophobicContact CD1-CD2 4.08Å; F966-F969 HydrophobicContact CD1-CE2 4.1Å; F966-F969 PolarHBondContact O-N 2.88Å; S967-F969 VanDerWaalsContact C-N 3.33Å; S967-F969 PolarHBondContact O-N 3Å; F969-N971 PolarHBondContact O-N 3.45Å; F969-T972 PolarHBondContact O-N 3.33Å; F969-T972 PolarHBondContact O-OG1 3.22Å
970K49.3Very low50.9Low167 Ų16795.4 Ų95.473%0.72652%0.52SS*.Hα-helixtrans-62.7-30.6-176.9-72.6-174.6173.5-1800113S967 T972 S973S967-K970 PolarHBondContact O-N 3.27Å; K970-T972 PolarHBondContact O-N 2.92Å; K970-S973 PolarHBondContact O-OG 3.01Å
971N40.9Very low48.3Very low138 Ų13898.4 Ų98.474%0.73854%0.535SS*.THydrogen-bonded Turntrans-74.512.1-178.4-65.7-7.3000114.5F969F969-N971 PolarHBondContact O-N 3.45Å
972T39Very low45.7Very low53 Ų53103.9 Ų103.933%0.32557%0.566SS.*THydrogen-bonded Turntrans-115.725.3179.264.50000113.3R690 F969 K970R690-T972 PolarHBondContact NH1-OG1 2.63Å; R690-T972 PolarHBondContact NH2-O 2.79Å; R690-T972 PolarHBondContact NH2-OG1 2.7Å; F969-T972 PolarHBondContact O-N 3.33Å; F969-T972 PolarHBondContact O-OG1 3.22Å; K970-T972 PolarHBondContact O-N 2.92Å
973S33.5Very low43.3Very low96 Ų96109.5 Ų109.567%0.67160%0.602SS**  trans-101.787.4-18046.90000112K970 L975K970-S973 PolarHBondContact O-OG 3.01Å; S973-L975 PolarHBondContact O-N 2.84Å
974F27.5Very low40.9Very low197 Ų197110 Ų11086%0.86462%0.615SS**  trans-69.4115.5161.2-92.4-79.8000109.2P976F974-P976 VanDerWaalsContact O-CD 3.32Å; F974-P976 WeakPolarHBondContact O-CD 3.36Å
975L27.1Very low38.4Very low150 Ų150109.4 Ų109.479%0.78563%0.632SS**  trans-74.2119.9171.8-79.5161.6000110.3S973 N977S973-L975 PolarHBondContact O-N 2.84Å; L975-N977 PolarHBondContact O-N 3.16Å
976P28.8Very low36.5Very low114 Ų114114.7 Ų114.774%0.7467%0.667SS**  trans-74.3115.1156.930.8-29.7000108.2F974 S978F974-P976 VanDerWaalsContact O-CD 3.32Å; F974-P976 WeakPolarHBondContact O-CD 3.36Å; P976-S978 PolarHBondContact O-N 2.62Å
977N25.4Very low34.9Very low158 Ų158119.9 Ų119.985%0.84570%0.701SS**  trans-67.2115.6177.2-89.4-19.8000111L975L975-N977 PolarHBondContact O-N 3.16Å
978S29.9Very low33.3Very low117 Ų117122.5 Ų122.582%0.81872%0.719SS**  trans-144.294.6160.5590000110P976P976-S978 PolarHBondContact O-N 2.62Å
979S24.2Very low32.2Very low109 Ų109125.6 Ų125.676%0.76274%0.735SS**  trans-101.1126.1169.546.50000109.7
980L26.7Very low30.9Very low162 Ų162128.3 Ų128.385%0.84875%0.752SS**  trans-178153.9146.3-104.6159.3000113
981I31.2Very low29.8Very low150 Ų150127.8 Ų127.877%0.76975%0.752SS**  trans71.789.3166.5-56153.4000116.3
982N29.9Very low29.1Very low153 Ų153126.5 Ų126.582%0.81875%0.749SS**PPolyproline II helixtrans-73.9150.3141.7-84.2-14.7000109.6
983P33.8Very low28.6Very low125 Ų125128.1 Ų128.181%0.81276%0.763SS**PPolyproline II helixtrans-80.5118.1151.632.1-28.7000110.4
984S32.8Very low28.2Very low121 Ų121130.2 Ų130.285%0.84677%0.767SS**PPolyproline II helixtrans-77.9163160.644.60000110.4
985G27.7Very low28.2Very low69 Ų69128 Ų12871%0.71176%0.762SS**  cis144.6139.2-4.200000111.7
986C29.4Very low28.3Very low126 Ų126124.6 Ų124.685%0.85176%0.756SS**  trans-167.1148.8172.9-107.70000109.6
987V30.6Very low28.2Very low135 Ų135126.7 Ų126.782%0.81876%0.761SS**  cis-156.7151.9-29.2115.40000106.4
988S25.4Very low28.4Very low101 Ų101124.8 Ų124.871%0.70676%0.76SS**  trans-89.7163.4-178.6-51.50000113.2
989L26.6Very low28.5Very low144 Ų144125.1 Ų125.175%0.75476%0.758SS**  148.5161.4103.8-144.370.3000113.7
990D28.8Very low28.8Very low110 Ų110123 Ų12359%0.58875%0.753SS**  trans73.3119.4157.8-70.4-13.6000119.8
991Q26.5Very low29Very low156 Ų156124.1 Ų124.173%0.72975%0.751SS**  80.9138.972.8-73.8-170.573.300112
992T26.2Very low29.1Very low110 Ų110123.1 Ų123.168%0.67575%0.746SS**  cis-159.9164.27.70.10000112.8
993S27.6Very low29.1Very low88 Ų88122.6 Ų122.662%0.61574%0.743SS**  trans63.8117140.371.90000123.6
994N27.1Very low29Very low139 Ų139120.6 Ų120.674%0.74373%0.732SS**  86.3124.2114.2-70.8-1.3000125.1
995I27.2Very low29Very low150 Ų150122.4 Ų122.477%0.76973%0.732SS**  94.5108.9126.5-70.4169.9000121.1
996A28Very low29.1Very low80 Ų80123 Ų12366%0.66174%0.738SS**  trans66.9100.5137.100000123.5
997N28Very low29.3Very low157 Ų157122.7 Ų122.784%0.8474%0.737SS**  38.8121.4109.4-584000121.3
998S27.9Very low29.3Very low118 Ų118121.5 Ų121.583%0.82574%0.735SS**  162.515211856.10000108.9
999T32.4Very low29.8Very low125 Ų125122.6 Ų122.677%0.76774%0.74SS**  cis-138.5161.512.546.30000108.7
1000G30.4Very low29.7Very low64 Ų64124.2 Ų124.266%0.6675%0.749SS**  cis-145.3-113.42.600000109.2
1001F30.6Very low29.8Very low186 Ų186123.8 Ų123.882%0.81675%0.754SS**  cis177.6142.9-46.9-87.5-27.1000108
1002I33.2Very low30Very low129 Ų129123.5 Ų123.566%0.66276%0.757SS**  cis-159.2148.8-4.5-153.2166.5000110.8
1003N31.2Very low29.9Very low141 Ų141125.8 Ų125.875%0.75477%0.765SS**  trans52.8146.4158.3-67.87.7000123.1
1004S31.8Very low29.9Very low83 Ų83130.8 Ų130.858%0.5878%0.775SS**  cis-164.7170.3-14.453.20000113.4
1005D31.9Very low29.8Very low159 Ų159128.9 Ų128.985%0.8577%0.773SS**  trans74.6141.5156-49.8-49.8000121.6
1006G31.3Very low29.9Very low81 Ų81127.3 Ų127.384%0.83577%0.77SS**  trans131.181.1164.700000118.1
1007S33.1Very low29.8Very low120 Ų120130.5 Ų130.584%0.83978%0.775SS**  trans-63.1161.4167.645.20000113.8
1008S30.5Very low29.8Very low111 Ų111130.8 Ų130.878%0.77677%0.773SS**  cis-164.8162.6-12.545.60000109.4
1009P36.4Very low29.7Very low123 Ų123129.8 Ų129.880%0.79976%0.762SS**  trans-119.3174.1-143.542.8-35.6000118.9
1010L23.9Very low29.5Very low179 Ų179129 Ų12994%0.93776%0.758SS**  trans-59.1132.8168.5-136.276.8000113.3
1011S30.4Very low29.3Very low100 Ų100129.4 Ų129.470%0.69975%0.747SS**  trans-175.9141.3174.1177.10000109.6
1012N30.8Very low29.2Very low150 Ų150124.8 Ų124.880%0.80273%0.734SS**  cis-161.3175.2-15.2-114-59.3000109.1
1013L23.7Very low29.1Very low159 Ų159124.5 Ų124.583%0.83274%0.739SS**  trans-139.294.5169.2-161.7172.7000111.9
1014K28.2Very low29Very low192 Ų192122.6 Ų122.684%0.83574%0.736SS**  trans-174139.6158.1-114.2168.1-176177.20112
1015S26Very low28.8Very low99 Ų99127.6 Ų127.669%0.69275%0.748SS**  trans34142.4144.9580000122
1016T27.5Very low28.7Very low117 Ų117126 Ų12672%0.71874%0.744SS**  cis-180140.80.4-95.40000108.8
1017I27.4Very low28.6Very low148 Ų148126.7 Ų126.776%0.75974%0.736SS**  trans56.4110.8160.4-71.5167.5000116.6
1018M26.5Very low28.5Very low162 Ų162127.1 Ų127.180%0.79873%0.728SS**  61.5138.388.8-75.7-158.2165.500114.6
1019T27.2Very low28.4Very low97 Ų97125.2 Ų125.260%0.59571%0.714SS**  cis-172.8164.610.811.80000112.8
1020T27.9Very low28.1Very low109 Ų109124 Ų12467%0.66971%0.705SS**  trans69.4154.4142.258.20000119.7
1021T26.7Very low28.3Very low73 Ų73123 Ų12345%0.44870%0.697SS.*  cis-162.5161.73.52.90000114.7
1022T28.2Very low28.2Very low88 Ų88125.1 Ų125.154%0.5470%0.698SS.*  trans64.2159.4150.652.30000118.5I1028T1022-I1028 HydrophobicContact CG2-CG1 4.1Å
1023T30.9Very low28Very low123 Ų123123.4 Ų123.476%0.75569%0.693SS**  cis-132.4158.214.352.40000111.1
1024S29.5Very low27.9Very low101 Ų101120.9 Ų120.971%0.70669%0.688SS**SBendcis-151.7162.6461.70000108.2
1025K27.7Very low27.7Very low189 Ų189117.8 Ų117.882%0.82269%0.686SS**SBendcis-128.51478.4-58.3166.3-177.2172.30107.2
1026T29.1Very low27.6Very low124 Ų124121.6 Ų121.676%0.76169%0.693SS**SBendcis-154.2143.618.8-18.90000110.6
1027S29Very low27.5Very low97 Ų97122.5 Ų122.568%0.67869%0.692SS**  trans64.8113.1163.7-480000118.9
1028I31.6Very low27.4Very low129 Ų129122.8 Ų122.866%0.66270%0.695SS**  cis90139.229.8-58.6167.3000113.2T1022T1022-I1028 HydrophobicContact CG2-CG1 4.1Å
1029S27.7Very low27.6Very low71 Ų71122.6 Ų122.650%0.49769%0.694SS.*  cis171.8165.7-23.7-141.90000108.3
1030T31.1Very low28.1Very low97 Ų97123.5 Ų123.560%0.59570%0.702SS**  cis-166.2150.2-7.5-7.50000112.7
1031M26.8Very low28Very low159 Ų159123.4 Ų123.478%0.78369%0.694SS**  trans68.5148.6138.9-96.9-177.3-177.500128.5
1032M28.4Very low28.1Very low143 Ų143125.6 Ų125.670%0.70471%0.707SS**  trans82.1107139.3-71.3-63.5-17400126.5
1033T26.1Very low28Very low115 Ų115128.6 Ų128.671%0.70671%0.712SS**  trans40.5129.2130.156.20000126.6
1034S23.3Very low27.7Very low105 Ų105127.2 Ų127.273%0.73471%0.708SS**  trans98.2136.2130.5-70.20000123.7
1035T24.3Very low27.6Very low127 Ų127129.2 Ų129.278%0.77971%0.709SS**  trans66.497.9151.342.90000122.6
1036Q23.4Very low27.4Very low180 Ų180125.8 Ų125.884%0.84170%0.704SS**  81.5159.2119.8-149.6175.451.800120.2
1037I25.1Very low27.3Very low135 Ų135126.5 Ų126.569%0.69271%0.709SS**  trans93.4102.4164.5-52.7-179.8000118.3
1038N24.9Very low27.1Very low155 Ų155127.2 Ų127.283%0.82971%0.713SS**  trans72.7123.8141.7-62.71.2000125.5
1039M31.1Very low27.3Very low157 Ų157125 Ų12577%0.77371%0.708SS**  trans-85.3-175.2142.7-88.6-158.977.600110.4
1040P37.6Very low27.2Very low117 Ų117128.9 Ų128.976%0.7672%0.716SS**  cis-129.9-166.110.645.6-27.6000114.2
1041E25.6Very low27Very low107 Ų107128 Ų12850%0.571%0.713SS.*  cis-126.2-1132.9-161.2-158.7-90.500112.1K1043E1041-K1043 IonicContact OE1-NZ 3.24Å; E1041-K1043 PolarHBondContact OE1-NZ 2.94Å; E1041-K1043 WeakPolarHBondContact OE2-CG 3.43Å; E1041-K1043 PolarHBondContact OE2-N 3.33Å; E1041-K1043 IonicContact OE2-NZ 3.81Å; E1041-K1043 PolarHBondContact OE2-NZ 3.14Å
1042T28.3Very low26.9Very low118 Ų118122.7 Ų122.772%0.72469%0.692SS**  cis-150.6148.5-2.2-29.20000113.9
1043K26.1Very low26.9Very low151 Ų151120.7 Ų120.766%0.65768%0.684SS**  trans-22.2156.7160.3-71158.6-166.694.40119.4E1041E1041-K1043 IonicContact OE1-NZ 3.24Å; E1041-K1043 PolarHBondContact OE1-NZ 2.94Å; E1041-K1043 WeakPolarHBondContact OE2-CG 3.43Å; E1041-K1043 PolarHBondContact OE2-N 3.33Å; E1041-K1043 IonicContact OE2-NZ 3.81Å; E1041-K1043 PolarHBondContact OE2-NZ 3.14Å
1044S25.3Very low26.9Very low95 Ų95121 Ų12166%0.66468%0.677SS**  cis177.3165.6-6.454.50000114.9
1045I26.9Very low27Very low143 Ų143122 Ų12273%0.73367%0.674SS**  trans89.399.2142.5-77.5159.9000122.9
1046T24.5Very low27Very low116 Ų116121.5 Ų121.571%0.71267%0.671SS**  63.7148.3129.972.30000127.7
1047T25.5Very low27.1Very low140 Ų140117.9 Ų117.986%0.85967%0.665SS**  trans96.1160.3154.4710000120.4
1048S25.1Very low27.2Very low111 Ų111118.2 Ų118.278%0.77667%0.674SS**  trans-163.8179.8-16367.70000110.4
1049P36.8Very low27.3Very low83 Ų83121.1 Ų121.154%0.53967%0.673SS.*  cis-134.1173.8-3.234.2-13.3000116.9
1050F25.8Very low26.9Very low153 Ų153119.7 Ų119.767%0.67167%0.669SS**  trans68169.3173.1-45.8-66.8000115.1I1918 A1920F1050-I1918 HydrophobicContact CB-CG2 4.07Å; F1050-A1920 HydrophobicContact CD1-CB 3.86Å; F1050-A1920 HydrophobicContact CE1-CB 4.21Å
1051S25.4Very low26.3Very low78 Ų78123.1 Ų123.155%0.54567%0.672SS.*  cis-156.1168.41.2110.70000109.2C1919S1051-C1919 WeakPolarHBondContact CB-O 3.5Å
1052S25.9Very low26.3Very low47 Ų47125.4 Ų125.433%0.32969%0.685SS.*  cis177.6140.8-23.9540000109.3
1053L27Very low26.1Very low102 Ų102127.6 Ų127.653%0.53469%0.692SS.*  trans63.5156.6-172.4-108.360000112.3V1921L1053-V1921 HydrophobicContact CD1-CB 4.02Å; L1053-V1921 HydrophobicContact CD1-CG1 3.95Å; L1053-V1921 HydrophobicContact CD1-CG2 3.74Å
1054E26.9Very low26Very low121 Ų121126.6 Ų126.657%0.56570%0.698SS**  cis-157.8167.9-38.1-115.8173.8-127.800104.8
1055N26.4Very low26Very low125 Ų125125.1 Ų125.167%0.66870%0.698SS**  cis-158175.412.2-131.8-24.1000107.2
1056V24.3Very low25.9Very low118 Ų118124.8 Ų124.872%0.71571%0.707SS**  cis-156.2167.10.866.90000108.7
1057S25.4Very low25.8Very low104 Ų104128.5 Ų128.573%0.72772%0.716SS**  trans59.290.4162.1-165.20000117.7
1058T26.7Very low25.7Very low142 Ų142126.4 Ų126.487%0.87171%0.713SS**  trans-158.9171.8147.4-7.60000113.4
1059R26.1Very low25.8Very low215 Ų215129.2 Ų129.281%0.81171%0.714SS**  trans-58.2147.9-178.7-76.4178.6172.1118.8-5116.5
1060D23.3Very low25.3Very low127 Ų127136 Ų13668%0.67974%0.735SS**  58.8122.8129.3-57.4-37.9000123.7
1061F24.6Very low25.2Very low189 Ų189131.5 Ų131.583%0.82973%0.732SS**  trans89.5136141-92.1-67.5000123.9
1062M25.8Very low25.2Very low156 Ų156135.5 Ų135.577%0.76875%0.747SS**  trans73102.7159.6-66.6-58.4-155.300121
1063N23.8Very low25.3Very low164 Ų164139.3 Ų139.388%0.87776%0.762SS**  -137.3155.3120.2-1622.6000109.8
1064V25.2Very low25.3Very low129 Ų129137.6 Ų137.678%0.78277%0.769SS**  trans-95.7129.5-164.6177.90000112
1065G24Very low25.6Very low64 Ų64137.9 Ų137.966%0.6678%0.781SS**  trans-171.856.5-176.400000115.9Q1067G1065-Q1067 PolarHBondContact O-N 3.12Å
1066C24.7Very low25.7Very low136 Ų136138.1 Ų138.192%0.91978%0.781SS**SBendtrans49.156.2163.4-62.80000117.7
1067Q22.1Very low25.8Very low194 Ų194140.3 Ų140.391%0.90779%0.788SS**  trans-128.7116.7154-77.3-164.8-4.200111.3G1065G1065-Q1067 PolarHBondContact O-N 3.12Å
1068A24.5Very low25.8Very low96 Ų96143 Ų14379%0.79379%0.794SS**  trans-156156.2162.900000108.5
1069E26.3Very low25.8Very low170 Ų170141.3 Ų141.379%0.79478%0.784SS**  trans60.264.4172.9-57-165.5174.500117.4
1070F26.3Very low25.8Very low226 Ų226134.2 Ų134.299%0.99178%0.777SS**  -103.6116.5130-103.3-80.4000108.5
1071G24Very low25.8Very low59 Ų59134 Ų13461%0.60879%0.786SS**  trans-155.2135.5177.600000111
1072L26.5Very low25.9Very low162 Ų162127.8 Ų127.885%0.84878%0.775SS**  trans60.193.4174.3-55.9174.2000116.6
1073I28.5Very low25.8Very low126 Ų126125 Ų12565%0.64676%0.756SS**  -156.8135.6123.6-97.4151.3000108.6
1074G25.5Very low25.9Very low66 Ų66122 Ų12268%0.6875%0.747SS**  trans165.1154.5170.200000111.1
1075P34.1Very low25.9Very low128 Ų128122.2 Ų122.283%0.83174%0.743SS**  cis-96152-2.736.5-31.3000113.1
1076I27.9Very low26Very low130 Ų130125.8 Ų125.867%0.66775%0.747SS**  trans-106.1147.2147.5-70.1178.7000106.2
1077L26.7Very low26Very low163 Ų163123.8 Ų123.885%0.85374%0.735SS**  trans-60.8142.9-170-73.2166.5000113.3V1079L1077-V1079 PolarHBondContact O-N 2.96Å; L1077-V1079 VanDerWaalsContact O-N 3.07Å
1078N24.6Very low26.2Very low160 Ų160119.4 Ų119.486%0.85673%0.726SS**  trans-79.286.3-177.1-177.142.2000111.3
1079V26.8Very low26.2Very low108 Ų108123.1 Ų123.166%0.65573%0.731SS**  trans-104.5132.4163.2-174.30000108.2L1077 S1081L1077-V1079 PolarHBondContact O-N 2.96Å; L1077-V1079 VanDerWaalsContact O-N 3.07Å; V1079-S1081 PolarHBondContact O-N 3.42Å
1080G25.9Very low26Very low66 Ų66118.7 Ų118.768%0.6873%0.731SS**  trans-60.1128.3-157.200000115.5G1082G1080-G1082 PolarHBondContact O-N 3.4Å
1081S24.7Very low26Very low122 Ų122115 Ų11585%0.85372%0.721SS**  trans-70.575.8159.3-69.80000110.3V1079V1079-S1081 PolarHBondContact O-N 3.42Å
1082G25.6Very low26Very low58 Ų58116.9 Ų116.960%0.59872%0.724SS**  trans-79.4137.6164.300000110.7G1080 S1084G1080-G1082 PolarHBondContact O-N 3.4Å; G1082-S1084 PolarHBondContact O-N 2.66Å
1083R24.7Very low25.9Very low99 Ų99114.7 Ų114.737%0.37472%0.718SS.*  trans-44.1121.6177.4-84.7158-156.2170.316.1113L1085 E1483 S1484 L1487R1083-L1085 PolarHBondContact O-N 2.72Å; R1083-E1483 WeakPolarHBondContact CG-OE1 3.38Å; R1083-E1483 VanDerWaalsContact CZ-CD 3.49Å; R1083-E1483 IonicContact CZ-OE2 2.82Å; R1083-E1483 PolarHBondContact N-OE1 3.49Å; R1083-E1483 IonicContact NE-OE1 2.78Å; R1083-E1483 IonicContact NE-OE2 3.07Å; R1083-E1483 PolarHBondContact NE-OE2 3.25Å; R1083-E1483 PolarHBondContact NH1-O 2.74Å; R1083-E1483 IonicContact NH2-OE2 3.8Å; R1083-E1483 PolarHBondContact NH2-OE2 2.89Å; R1083-S1484 PolarHBondContact NH2-OG 3.49Å; R1083-S1484 VanDerWaalsContact NH2-OG 3.08Å; R1083-L1487 VanDerWaalsContact NH1-CD1 3.27Å
1084S26.4Very low25.7Very low99 Ų99116.1 Ų116.169%0.69273%0.727SS**  trans-64.591.7169.6-173.10000110.9G1082 N1086G1082-S1084 PolarHBondContact O-N 2.66Å; S1084-N1086 PolarHBondContact O-N 3.38Å
1085L25.3Very low25.6Very low135 Ų135119 Ų11971%0.70773%0.727SS**  trans-8326.3165.5-75.9176000112.6R1083 S1087R1083-L1085 PolarHBondContact O-N 2.72Å; L1085-S1087 PolarHBondContact O-N 3.14Å
1086N24.3Very low25.3Very low138 Ų138118.9 Ų118.974%0.73873%0.729SS**  trans-71.877.7161.6-76.5-11.4000109S1084 S1088S1084-N1086 PolarHBondContact O-N 3.38Å; N1086-S1088 PolarHBondContact O-N 3.1Å
1087S25.8Very low25.1Very low94 Ų94118.5 Ų118.566%0.65773%0.732SS**  trans-72.778.2172.843.30000110.6L1085L1085-S1087 PolarHBondContact O-N 3.14Å
1088S25.6Very low25.1Very low102 Ų102118.9 Ų118.971%0.71372%0.722SS**  trans23.5105.3155.359.20000117.1N1086 G1090N1086-S1088 PolarHBondContact O-N 3.1Å; S1088-G1090 PolarHBondContact O-N 2.93Å
1089L24.8Very low25.2Very low175 Ų175117.2 Ų117.292%0.91670%0.704SS**  trans-56.2108.2149.1-82.2163.5000108.3L1091L1089-L1091 VanDerWaalsContact C-N 3.32Å; L1089-L1091 PolarHBondContact O-N 3.17Å
1090G22.4Very low25.1Very low76 Ų76117.9 Ų117.978%0.78471%0.708SS**  trans-81.470.7-177.400000112.7S1088S1088-G1090 PolarHBondContact O-N 2.93Å
1091L26.6Very low25Very low150 Ų150120.6 Ų120.679%0.78571%0.712SS**  trans-110129.9166-70.1178.8000110.1L1089L1089-L1091 VanDerWaalsContact C-N 3.32Å; L1089-L1091 PolarHBondContact O-N 3.17Å
1092S22.9Very low24.9Very low97 Ų97120.3 Ų120.368%0.67870%0.7SS**  trans-71.2136.9178.8-162.80000110.4D1094S1092-D1094 PolarHBondContact OG-OD2 3.35Å
1093V24.4Very low25Very low117 Ų117126.1 Ų126.171%0.70971%0.711SS**  trans-108.288.6160.1-179.50000106.4D1095V1093-D1095 HydrophobicContact CG1-CB 4.09Å
1094D25.4Very low24.9Very low156 Ų156127.1 Ų127.183%0.83473%0.728SS**  trans-88.6116.3157.9-86.2-62.2000107.2S1092S1092-D1094 PolarHBondContact OG-OD2 3.35Å
1095D22.9Very low24.9Very low127 Ų127125 Ų12568%0.67972%0.716SS**  trans-128.6118.1-172.6-177.616.5000110V1093V1093-D1095 HydrophobicContact CG1-CB 4.09Å
1096S27Very low24.9Very low125 Ų125124.2 Ų124.287%0.87471%0.713SS**  trans-167105.4166.1-830000111.3
1097V25.3Very low25Very low122 Ų122123.9 Ų123.974%0.73971%0.711SS**  trans-89.8137.2173.6174.20000110.8
1098R26.5Very low25Very low171 Ų171125.8 Ų125.865%0.64571%0.713SS**  trans-160.9108.7141.7-113.2165.3-166.7-121.9-4.9116
1099R25.8Very low25.1Very low125 Ų125128.7 Ų128.747%0.47271%0.714SS.*  trans56101.5132.8-64.7179.2178.4-158.3-10.8120.8I213 D215I213-R1099 PolarHBondContact O-NH2 3.23Å; I213-R1099 VanDerWaalsContact O-NH2 3.13Å; D215-R1099 IonicContact OD2-CZ 2.73Å; D215-R1099 IonicContact OD2-NH1 3.3Å; D215-R1099 PolarHBondContact OD2-NH1 3.46Å; D215-R1099 IonicContact OD2-NH2 3.51Å; D215-R1099 PolarHBondContact OD2-NH2 2.85Å
1100T24Very low25.1Very low122 Ų122126 Ų12675%0.74871%0.706SS**  57.6120.1101.5161.70000119.7
1101T24.8Very low25.3Very low122 Ų122125.9 Ų125.975%0.74870%0.704SS**  -169.7117.8109.218.80000115
1102I23.1Very low25.2Very low117 Ų117129.7 Ų129.760%0.671%0.708SS**  trans43.3116.5132.5-48.3169.5000120.7
1103H26.5Very low25.2Very low180 Ų180133.4 Ų133.483%0.83372%0.715SS**  -169158.8108-109.2-71.6000113.9
1104T23.2Very low25.1Very low120 Ų120136.3 Ų136.374%0.73672%0.721SS**  trans-148.7142.6-165.8-20.50000111.9
1105A26Very low25Very low54 Ų54135.3 Ų135.345%0.44672%0.715SS.*  trans-172.5141.6157.100000112.9T1275 T1276A1105-T1275 CarbonylContact O-C 3.56Å; A1105-T1276 PolarHBondContact O-N 2.98Å
1106N24.7Very low25.1Very low118 Ų118131.8 Ų131.863%0.63170%0.699SS**  trans-116156.1-172.9-49.4-16.6000112.9
1107N28.1Very low25.1Very low132 Ų132128.6 Ų128.671%0.70669%0.686SS**  159.6119.7112.2-87.3-16.4000117.2
1108I25.7Very low25.1Very low134 Ų134125 Ų12569%0.68767%0.666SS**  44.9116.7122.9-51.4168.5000120.5
1109H25.9Very low25Very low162 Ų162123.3 Ų123.375%0.7567%0.669SS**  -167.3128.1101.3-131.4-74.5000115.5
1110T25.9Very low24.9Very low120 Ų120122.7 Ų122.774%0.73668%0.683SS**  trans9.3135.3161.957.30000124.5
1111G27.3Very low24.9Very low73 Ų73121.7 Ų121.775%0.75368%0.681SS**  trans-177.4114.6152.100000111.3
1112W23.3Very low24.9Very low230 Ų230127.1 Ų127.187%0.87169%0.688SS**  trans-49.5159.9-174.2-52.882.3000115.6
1113E22.5Very low24.8Very low175 Ų175129.9 Ų129.982%0.81870%0.698SS**  cis-122.9-174.313.1-62.4166.4126.900110.8
1114E23.8Very low24.6Very low177 Ų177128.4 Ų128.483%0.82770%0.695SS**  cis-150.1175.37.7-154.8-178.9-162.900109.9
1115L22.8Very low24.6Very low135 Ų135127.6 Ų127.671%0.70769%0.693SS**  trans-126.4144.3-169.8-76.2161.4000114.4
1116P25.3Very low24.5Very low53 Ų53135.4 Ų135.434%0.34471%0.712SS.*  trans-117.1112.8155.731.1-19.5000113.4M1266P1116-M1266 HydrophobicContact CG-CE 4.03Å; P1116-M1266 WeakPolarHBondContact O-CE 3.37Å
1117G26Very low24.3Very low58 Ų58138.9 Ų138.960%0.59872%0.721SS**  trans-75.9-175.5176.100000115.1
1118S25.4Very low24.4Very low48 Ų48138 Ų13834%0.33672%0.723SS.*  trans-155.6159.3-167.267.30000116.3M1265S1118-M1265 WeakPolarHBondContact OG-CA 3.49Å; S1118-M1265 PolarHBondContact OG-N 3.38Å
1119L24.2Very low24.5Very low134 Ų134136.7 Ų136.770%0.70272%0.723SS**  trans86.4103.3159.6-60.2167.9000119.5
1120C23.9Very low24.3Very low112 Ų112135.3 Ų135.376%0.75773%0.726SS**  53.9123.5119.4-60.40000123.1
1121S24.6Very low24.3Very low101 Ų101134.2 Ų134.271%0.70673%0.728SS**  118.1119116.7-80.60000121.6
1122W24Very low24.2Very low236 Ų236136 Ų13689%0.89473%0.725SS**  trans83147.5146.1-69.748000120.4
1123E22Very low24.4Very low176 Ų176136.3 Ų136.382%0.82273%0.726SS**  trans-97.4147.6-178.6-58.4171.6134.600109.6
1124L22.6Very low24.7Very low148 Ų148133.1 Ų133.178%0.77572%0.723SS**  -169.5135.970.2-120.4110.5000113.7
1125C22.5Very low24.8Very low103 Ų103127.9 Ų127.970%0.69672%0.716SS**  trans40.2126.7142.6-59.40000124.4
1126R23.4Very low25Very low219 Ų219129 Ų12983%0.82672%0.723SS**  -142.8134.1129-87.8-160.5179.9-170.12.3112.6
1127F22.1Very low25Very low191 Ų191136.3 Ų136.384%0.83874%0.744SS**  trans-88.6-179.8158.3-83.6-79.9000109.2
1128P28.5Very low24.9Very low113 Ų113142.1 Ų142.173%0.73476%0.757SS**  cis-137.8-15419.347.3-26.7000112.5
1129P28.6Very low24.7Very low107 Ų107144.9 Ų144.970%0.69578%0.777SS**  cis-137152.9-4.836.9-16.5000119.6
1130V22.5Very low24.8Very low133 Ų133146.9 Ų146.981%0.80679%0.786SS**  trans59.9114.9141.9178.90000121.4V1132V1130-V1132 HydrophobicContact CG1-CG2 4.32Å
1131A26Very low24.8Very low96 Ų96146 Ų14679%0.79378%0.781SS**  trans-160.658.714700000115.9
1132V24.3Very low24.8Very low112 Ų112147.7 Ų147.768%0.67978%0.782SS**  trans48.9130.7138.7177.80000122.6V1130V1130-V1132 HydrophobicContact CG1-CG2 4.32Å
1133R26.5Very low24.9Very low236 Ų236142.3 Ų142.389%0.89177%0.77SS**  trans76.8144.8166.8-71.7159.6-170.8-140.2-0.2117.5
1134S28.8Very low25.2Very low108 Ų108140.8 Ų140.876%0.75577%0.774SS**  cis-166.8148.6-21.143.70000106.7
1135G26Very low25.3Very low67 Ų67140.9 Ų140.969%0.69177%0.774SS**  80121.554.500000110.1
1136D28.1Very low25.6Very low158 Ų158141.8 Ų141.885%0.84578%0.779SS**  cis-159.1-167.70.9-144.3-45.9000112
1137R24.2Very low25.7Very low207 Ų207140.4 Ų140.478%0.78177%0.773SS**  trans-77.6170.8-170.9-65.1169.2163.7-178.3-3.4116.9
1138M24.4Very low25.9Very low179 Ų179141.5 Ų141.588%0.88278%0.778SS**  trans90.7146.3145-88174.1177.900120.7
1139S22.1Very low25.8Very low106 Ų106141.9 Ų141.974%0.74177%0.77SS**  trans-95148.5-178.748.20000112.4
1140I25.8Very low25.8Very low176 Ų176144.6 Ų144.690%0.90377%0.773SS**  trans-164.1146.9157.1-104.2148.7000109.1
1141S24.3Very low26Very low93 Ų93146.8 Ų146.865%0.6578%0.779SS**  trans-106.3143.6166.860.40000108.9
1142L25.3Very low25.9Very low138 Ų138149 Ų14972%0.72378%0.775SS**  -174.8150.475.6-105.7160.2000111.1
1143N24.4Very low26.2Very low122 Ų122149.7 Ų149.765%0.65278%0.78SS**  trans28.293.7151.7-65.2-21.2000119.8
1144T28.8Very low26.5Very low145 Ų145144.9 Ų144.989%0.8978%0.777SS**  -152.3132.2125.5-25.60000110.6
1145L24.5Very low26.6Very low150 Ų150143.1 Ų143.179%0.78578%0.776SS**  trans-114.7146.6173.5-115.3162.8000108.1
1146P29.6Very low26.9Very low122 Ų122146 Ų14679%0.79278%0.78SS**  -131.2143.6115.736.3-29.5000113.6
1147R24.7Very low27Very low189 Ų189147 Ų14771%0.71378%0.78SS**  trans-9.2129.3168.6-69174.7161.8130.4-4118.1E1149R1147-E1149 HydrophobicContact CG-CG 4.47Å; R1147-E1149 IonicContact CZ-OE1 3.51Å; R1147-E1149 IonicContact NE-OE1 3.58Å; R1147-E1149 PolarHBondContact NE-OE1 3.15Å; R1147-E1149 IonicContact NH2-OE1 3.03Å
1148F27.4Very low27.3Very low214 Ų214142 Ų14294%0.93977%0.773SS**  -126.8133.1115.7-113.9-88.6000109
1149E26.4Very low27.4Very low122 Ų122140.8 Ų140.857%0.5777%0.765SS**  trans-105.6152.8-179.6-71165179.700109.6R1147R1147-E1149 HydrophobicContact CG-CG 4.47Å; R1147-E1149 IonicContact CZ-OE1 3.51Å; R1147-E1149 IonicContact NE-OE1 3.58Å; R1147-E1149 PolarHBondContact NE-OE1 3.15Å; R1147-E1149 IonicContact NH2-OE1 3.03Å
1150H27.1Very low27.6Very low163 Ų163143.6 Ų143.676%0.75577%0.766SS**  trans58.3109.4170.2-68.7-75.7000120.1
1151L26.8Very low27.6Very low179 Ų179143.8 Ų143.894%0.93776%0.763SS**  -140.8138.3107.2-113.5158.5000109.2
1152M25.6Very low27.8Very low143 Ų143146.1 Ų146.170%0.70477%0.767SS**  trans-145.1132.4-164.5-122.4-70.4-162.500110.4
1153T30.3Very low27.8Very low127 Ų127146.5 Ų146.578%0.77977%0.765SS**  trans57.7166.1164.44.50000118.5
1154T32.3Very low27.9Very low135 Ų135149.9 Ų149.983%0.82878%0.775SS**  trans-101.6155-171.649.80000113.2
1155G30.3Very low27.7Very low71 Ų71148.1 Ų148.173%0.73277%0.768SS**  trans-60178-164.500000118.7
1156T32.2Very low27.9Very low127 Ų127150.6 Ų150.678%0.77978%0.776SS**  -152.8146.753.635.50000115
1157Q31.1Very low27.7Very low179 Ų179149 Ų14984%0.83677%0.767SS**  trans32.4140.2132.8-69.1-177.9-23.500121
1158T29.5Very low28Very low103 Ų103148.2 Ų148.263%0.63277%0.771SS**  cis-135.5-163.7-10.753.20000108.4
1159E26.7Very low28Very low153 Ų153144.4 Ų144.472%0.71576%0.761SS**  cis-149.6176.69.2-145.458.1-85.300105.4
1160E27.5Very low28.1Very low164 Ų164144.5 Ų144.577%0.76677%0.77SS**  cis-154.6173.113.7-171.6174.4-114.100108.6
1161Q24.1Very low28Very low181 Ų181141 Ų14185%0.84676%0.764SS**  trans-140.6140.7170-74.7-172.1-30.300112.6
1162L29Very low28.1Very low141 Ų141143.4 Ų143.474%0.73876%0.762SS**  trans-126.1120.1142.7-98.892.6000106.7
1163E25.9Very low28Very low146 Ų146141.6 Ų141.668%0.68276%0.764SS**  64.3130.296.2-68.1-167.9137.300113.5
1164F26.3Very low28.2Very low193 Ų193140.7 Ų140.785%0.84676%0.76SS**  cis-121.4163.934.9-103-106.7000116
1165S25.3Very low28Very low108 Ų108140.9 Ų140.976%0.75576%0.76SS**  trans-119.3153.5171.7-62.30000111.1
1166E28.4Very low27.8Very low202 Ų202146.6 Ų146.694%0.94477%0.765SS**  trans-157159.2139-123.9173.3-158.100110.7
1167S24.6Very low27.9Very low88 Ų88145.4 Ų145.462%0.61576%0.76SS**  trans-150.6156.1-163.566.80000112.6
1168H31.1Very low27.5Very low173 Ų173144.6 Ų144.680%0.80176%0.758SS**  -178.3131.9125.5-89.2-48.2000114.1
1169N27Very low27.3Very low135 Ų135144.2 Ų144.272%0.72276%0.759SS**  trans-1.1151.9139.4-52.3-13.4000118.6
1170T29.2Very low27.4Very low123 Ų123141.6 Ų141.676%0.75575%0.754SS**  cis-161.4152.315.8-12.80000112.6
1171S25.1Very low27.3Very low89 Ų89142.1 Ų142.162%0.62276%0.756SS**  trans25.1121.6150.361.20000121.7
1172Y28.1Very low27.5Very low231 Ų231140.3 Ų140.391%0.90675%0.748SS**  -173.7163.5109.2-104.2-74.7000111.1
1173S25.1Very low27.4Very low105 Ų105140.3 Ų140.373%0.73475%0.748SS**  trans-97.3174.9173-143.90000109.4
1174P34.5Very low27.5Very low107 Ų107141.7 Ų141.770%0.69575%0.748SS**  cis-143.2-161.68.931.8-5.2000116.1
1175V26.6Very low27.6Very low139 Ų139138.3 Ų138.384%0.84274%0.738SS**  trans95.5146.9157.6-159.80000118.8
1176K26.7Very low27.8Very low191 Ų191139.8 Ų139.883%0.8373%0.733SS**  trans-79.3-174.3176.6-113.6178-179.6-178.10111.8
1177P33.4Very low27.8Very low103 Ų103136.6 Ų136.667%0.66972%0.722SS**  cis-137.5-177.2-13.636-15.4000116.2
1178M24Very low28Very low162 Ų162137 Ų13780%0.79873%0.725SS**  trans68.1115.4142.7-84.4170.366.200123.8
1179S25.6Very low27.8Very low95 Ų95136.7 Ų136.766%0.66472%0.724SS**  60.5162129.174.90000120.8
1180T27.3Very low28.1Very low98 Ų98135 Ų13560%0.60173%0.729SS**  cis-153.8161.413.1-28.20000112.2
1181E26Very low28.1Very low175 Ų175137.6 Ų137.682%0.81873%0.732SS**  trans63.2167.3153.3-92.6123.7-143.500119.7
1182E27.5Very low28.3Very low142 Ų142144.7 Ų144.766%0.66475%0.745SS**  cis-146.6-168.918.7-147.3-175.9-168.600113.8
1183L28.7Very low28.4Very low141 Ų141142.9 Ų142.974%0.73874%0.742SS**  trans75.7105-178-66.2106.9000116.4
1184Y26.8Very low28.9Very low176 Ų176145.3 Ų145.369%0.6975%0.747SS**  92.2140.163.5-78.6-10.9000112.8
1185L29.2Very low28.9Very low121 Ų121144.8 Ų144.863%0.63475%0.746SS**  cis-163.4169.20.4-123.5168000113.2
1186Q28.2Very low29.2Very low140 Ų140143.9 Ų143.965%0.65474%0.741SS**  trans102.3129.1141-129.386.443.500121.9
1187N30.2Very low29.5Very low134 Ų134140.7 Ų140.772%0.71774%0.738SS**  trans73.1111.4161.5-55.1-34.4000117.3
1188S29Very low29.5Very low96 Ų96142.5 Ų142.567%0.67174%0.737SS**  cis74.6143.931.8-47.60000114.9
1189E26Very low29.8Very low168 Ų168142.1 Ų142.179%0.78573%0.733SS**  cis-169145.6-14-112.6173.4101.600108.7
1190A33.4Very low29.9Very low100 Ų100143.3 Ų143.383%0.82673%0.732SS**  trans-168.3111.8160.300000114.1
1191H28.8Very low29.9Very low177 Ų177144.3 Ų144.382%0.81973%0.733SS**  trans-84177.6162.8-75.1-81.2000110.1
1192R28.8Very low29.9Very low237 Ų237142.3 Ų142.389%0.89473%0.728SS**  cis-169.6132.933.4-162.9176-1671522.3113
1193K31.8Very low30Very low194 Ų194142.2 Ų142.284%0.84373%0.733SS**  trans-152.3134.9153.2-102.2-178.3-179.7177.90108.9
1194N34.8Very low30.2Very low155 Ų155141.1 Ų141.183%0.82973%0.731SS**  trans23.3135.1158.2-48.65.1000120
1195S34.7Very low30.6Very low96 Ų96138.4 Ų138.467%0.67173%0.733SS**  cis-170.2144.7-12.7-166.70000110
1196T31.8Very low30.8Very low120 Ų120138.2 Ų138.274%0.73673%0.732SS**  trans31.2122.9148.653.70000119.4
1197T33.7Very low30.9Very low125 Ų125140.9 Ų140.977%0.76774%0.738SS**  cis-145.5147.238.918.20000110.9
1198H33.6Very low30.7Very low141 Ų141142.6 Ų142.665%0.65374%0.741SS**  51.8122.798-81.4-94.5000113.9
1199E30.9Very low31.1Very low153 Ų153141.9 Ų141.972%0.71573%0.734SS**  59.5149.179.1-86.8177.5-150.500112.4
1200N27.7Very low31.2Very low120 Ų120141.5 Ų141.564%0.64273%0.733SS**  cis-169.7-179.3-21.4-12636000105.6
1201D27.4Very low30.9Very low119 Ų119142 Ų14264%0.63673%0.726SS**  trans39129.8143.4-49.4-23.5000121.5
1202D25.5Very low30.7Very low133 Ų133141.1 Ų141.171%0.71172%0.724SS**  trans55.4124.3141-53.2-22.5000118.8
1203N29.5Very low30.8Very low141 Ų141138 Ų13875%0.75472%0.719SS**  -165150.266.8-98.9-86.3000114.5
1204V31.6Very low30.5Very low117 Ų117134.9 Ų134.971%0.70972%0.717SS**  trans76.2126.1137.5166.20000119.5
1205V36.3Very low30.8Very low119 Ų119132.6 Ų132.672%0.72171%0.71SS**  trans72.9126.3155.3162.10000116.8
1206D33.7Very low30.5Very low117 Ų117133.8 Ų133.863%0.62671%0.714SS**  cis-165.4172.2-5.7-120.4-14.6000114.3
1207Y31Very low30.2Very low197 Ų197133.7 Ų133.777%0.77371%0.713SS**  trans3599.9152.5-71.7-70.5000121.6
1208H25.2Very low29.9Very low170 Ų170133.2 Ų133.279%0.78771%0.71SS**  20.4149.793.4-140.760.7000118.1
1209P37.8Very low29.6Very low80 Ų80132 Ų13252%0.51971%0.713SS.*  cis-141.4-150.1-3941.3-22000112.7
1210Q27.4Very low29.4Very low161 Ų161129.4 Ų129.475%0.75271%0.711SS**  trans91.5110.5140.6-96170.930.600123.1
1211T27.3Very low29.5Very low111 Ų111129.3 Ų129.368%0.68172%0.715SS**  68.9129126.251.60000124.6
1212M24.7Very low29.4Very low158 Ų158130.2 Ų130.278%0.77872%0.719SS**  86148.4128.5-76.9-71.5116.200122.2
1213Q29.9Very low29.7Very low172 Ų172130.3 Ų130.380%0.80472%0.724SS**  trans75.2106.9153.4-74.5167.912.200121.6
1214T27.1Very low29.7Very low128 Ų128129.5 Ų129.579%0.78572%0.72SS**  trans-38.6168.3136.150.60000116.1
1215P39.3Very low29.6Very low107 Ų107132.4 Ų132.470%0.69573%0.725SS**  cis-137.8-139.6-2838.5-17.3000111.6
1216T28.6Very low29.3Very low121 Ų121134.1 Ų134.174%0.74273%0.725SS**  trans87125.7177.166.30000115.7
1217T26.5Very low29.1Very low117 Ų117133.6 Ų133.672%0.71873%0.731SS**  52.913875.440.70000114
1218T27.3Very low29Very low115 Ų115128.8 Ų128.871%0.70673%0.726SS**  cis-165.3136.526.24.70000109.1
1219T27.2Very low29.2Very low116 Ų116126.4 Ų126.471%0.71273%0.729SS**  91.2136.298-63.50000118.8
1220S25.6Very low28.7Very low98 Ų98127.5 Ų127.569%0.68574%0.738SS**  trans66.5157.116369.70000117.7
1221T30Very low28.7Very low119 Ų119124.8 Ų124.873%0.7374%0.737SS**  cis-138143.42143.90000111.5
1222I26.4Very low28.7Very low138 Ų138124.5 Ų124.571%0.70874%0.739SS**  71.596.161.8-56167.6000115.5
1223V32.5Very low28.8Very low134 Ų134124.8 Ų124.881%0.81274%0.743SS**  trans-158.6124.8140.5-177.70000105.6
1224N28Very low29Very low125 Ų125121 Ų12167%0.66873%0.733SS**  cis97.987.19.1-155.228.5000117.5
1225Q30.5Very low28.8Very low178 Ų178123.9 Ų123.983%0.83274%0.735SS**  trans174.3157.6157.1-100.3160.577.500109.8
1226H29.9Very low28.1Very low154 Ų154123.8 Ų123.871%0.71373%0.733SS**  cis-176.2133.2-42.4-129.4-85.5000108.6
1227S29.3Very low27.9Very low106 Ų106124.7 Ų124.774%0.74173%0.732SS**  trans61.1156.9163.426.30000119.6
1228S29.5Very low27.8Very low97 Ų97127 Ų12768%0.67873%0.734SS**  cis-176.2141-23.350.20000112.4
1229S27.9Very low27.7Very low120 Ų120127 Ų12784%0.83973%0.73SS**  trans62.6155.3163.663.30000118
1230S28.9Very low27.7Very low102 Ų102127.7 Ų127.771%0.71373%0.729SS**  cis-154.3163.89.251.10000113
1231S27Very low27.6Very low105 Ų105131.5 Ų131.573%0.73474%0.736SS**  trans13145.415255.70000122.1
1232S27.9Very low27.6Very low105 Ų105132.7 Ų132.773%0.73474%0.743SS**  cis-178.8154.42.945.70000112.4
1233L25Very low27.6Very low164 Ų164133.5 Ų133.586%0.85975%0.749SS**  trans27.2159.6145.2-68.8166000122.8
1234P35.5Very low27.2Very low91 Ų91134.2 Ų134.259%0.59174%0.743SS**  cis-141.5-178.2-20.335.8-14.3000116.9
1235F23.2Very low27.1Very low189 Ų189134.4 Ų134.483%0.82975%0.745SS**  trans67.6148.5161.7-65.6-56.4000119.1
1236T23.7Very low26.9Very low105 Ų105131.5 Ų131.564%0.64474%0.735SS**  cis-155.51450.2-1.50000111.4
1237I24.9Very low26.7Very low141 Ų141130.2 Ų130.272%0.72373%0.732SS**  trans70.4159.7150.1-71167000115.1
1238H24Very low26.8Very low166 Ų166132.2 Ų132.277%0.76973%0.733SS**  cis-143.7160.814.4-123.5-48.8000112.4
1239N25.9Very low26.5Very low115 Ų115133 Ų13362%0.61573%0.728SS**  trans51.4119.9149.6-74.433.5000126.2
1240D25.5Very low26.3Very low129 Ų129132 Ų13269%0.6972%0.721SS**  80.9116.6121.7-51.6-15.9000125.3
1241E25.1Very low26.2Very low178 Ų178131.4 Ų131.483%0.83272%0.717SS**  trans53.3116.8141.8-58.3-167.6149.600122.9
1242T28.9Very low26.1Very low144 Ų144130 Ų13088%0.88370%0.7SS**  -172151.5101.520.20000114.8
1243N26.3Very low26.1Very low155 Ų155132.5 Ų132.583%0.82970%0.698SS**  trans-60168.8176-73.411.8000115.5
1244E25.2Very low26.2Very low149 Ų149127.8 Ų127.870%0.69668%0.676SS**  cis-170.4177.1-16.2-106.2-74-161.400108.3
1245D25.4Very low25.7Very low129 Ų129131.6 Ų131.669%0.6969%0.686SS**  trans70.5140.8151-86.9-36000119.1
1246N25.2Very low25.9Very low117 Ų117128.5 Ų128.563%0.62668%0.679SS**  cis-168.1170.24.4-148.7-50.5000113.5
1247I26.7Very low25.9Very low127 Ų127129.9 Ų129.965%0.65168%0.682SS**  trans66.7158169.4-24.9117.9000113.6I1249I1247-I1249 HydrophobicContact CG2-CD1 4.33Å
1248I30.3Very low25.8Very low148 Ų148130 Ų13076%0.75968%0.683SS**  cis-141.6134.911.8-43.3-114.1000106
1249I23.5Very low25.9Very low114 Ų114130.9 Ų130.959%0.58569%0.685SS**  cis87.298.946.3-58.9-179.9000116.2I1247I1247-I1249 HydrophobicContact CG2-CD1 4.33Å
1250S24.6Very low25.8Very low100 Ų100130.7 Ų130.770%0.69969%0.689SS**  trans75.7151.2148.1-580000121.2
1251S25.5Very low25.8Very low89 Ų89131.9 Ų131.962%0.62270%0.695SS**  cis175.2165.2-15.859.20000114.4
1252I25.1Very low25.7Very low74 Ų74129.6 Ų129.638%0.37970%0.699SS.*  trans89.9116.1141.4-74.6161.9000121.6S304 G305 S306S304-I1252 WeakPolarHBondContact O-CG2 3.29Å; G305-I1252 VanDerWaalsContact C-CG1 3.5Å; G305-I1252 CarbonylContact O-C 3.24Å; G305-I1252 VanDerWaalsContact O-CA 3.26Å; G305-I1252 WeakPolarHBondContact O-CA 3.41Å; G305-I1252 WeakPolarHBondContact O-CG1 3.42Å; S306-I1252 WeakPolarHBondContact O-CA 3.19Å; S306-I1252 PolarHBondContact O-N 3.29Å; S306-I1252 VanDerWaalsContact O-N 3.12Å
1253F27.8Very low25.4Very low158 Ų158127.2 Ų127.269%0.69369%0.693SS**  -177.1161.2119.8-99.5-61.8000115.4G305 S306G305-F1253 CarbonylContact O-C 3.44Å; G305-F1253 WeakPolarHBondContact O-CA 3.45Å; G305-F1253 PolarHBondContact O-N 3.46Å; S306-F1253 WeakPolarHBondContact CB-O 3.23Å
1254T27.7Very low25.2Very low65 Ų65126.4 Ų126.440%0.39969%0.688SS.*  trans-118.9-164.5-146.948.30000117.9G305G305-T1254 WeakPolarHBondContact O-CG2 3.32Å
1255E25.4Very low25.1Very low171 Ų171123.4 Ų123.480%0.79968%0.675SS**  trans105.7140.4160.2-68.7-178.6-153.800119.9
1256D27Very low25Very low125 Ų125121 Ų12167%0.66866%0.661SS**  cis-165.8147.9-26.7-133.125000116.2
1257N24.1Very low24.8Very low133 Ų133120.1 Ų120.171%0.71166%0.66SS**  trans59.4162.8144.8-89-53.2000125.8
1258L23.4Very low24.6Very low144 Ų144117.1 Ų117.175%0.75465%0.65SS**  trans72.6129.7-174.4-62.1126.5000115.1
1259F24.8Very low24.3Very low184 Ų184113.9 Ų113.981%0.80764%0.64SS**  cis-127.1163.414.8-99.7-95.7000114.5
1260T24Very low24.3Very low112 Ų112115.9 Ų115.969%0.68765%0.645SS**  trans-37.6148.616051.10000114.6
1261D25.5Very low24.3Very low154 Ų154118.7 Ų118.782%0.82465%0.647SS**  cis-140.2146.940.2-95.3-40000114.1
1262S23Very low24.2Very low130 Ų130118.4 Ų118.491%0.90965%0.645SS**  trans-113.3111.5172.4-70.30000111.2
1263A22.7Very low24.3Very low93 Ų93120.5 Ų120.577%0.76966%0.661SS**  trans-134.986.8179.900000112.4
1264L22.2Very low24.3Very low138 Ų138120.9 Ų120.972%0.72366%0.663SS**  trans30136.3134.9-66.4-179.9000121.4
1265M23.5Very low24.2Very low87 Ų87122 Ų12243%0.42967%0.67SS.*  trans75.6153.2137.9-67.7166.8177.300117.5S1118S1118-M1265 WeakPolarHBondContact OG-CA 3.49Å; S1118-M1265 PolarHBondContact OG-N 3.38Å
1266M22.5Very low24.2Very low79 Ų79117.3 Ų117.339%0.38965%0.653SS.*  cis-155.8149.9-2.5-127.2153-169.600111.8P1116 S1268P1116-M1266 HydrophobicContact CG-CE 4.03Å; P1116-M1266 WeakPolarHBondContact O-CE 3.37Å; M1266-S1268 WeakPolarHBondContact CB-O 3.42Å
1267T22Very low24.1Very low98 Ų98120.6 Ų120.660%0.60166%0.661SS**SBendtrans-86.4140.7147.235.90000108.8
1268S22.9Very low24.1Very low64 Ų64118.1 Ų118.145%0.44865%0.654SS.*SBendtrans67.4132.9-167.388.90000111.8M1266M1266-S1268 WeakPolarHBondContact CB-O 3.42Å
1269S22.7Very low24.4Very low79 Ų79118.9 Ų118.955%0.55266%0.659SS**  68.8147.678.3-159.90000113.7
1270F23Very low24.4Very low157 Ų157114.8 Ų114.869%0.68965%0.653SS**  trans68.5146.1178.5-51.1-84.3000114.8
1271H26.1Very low24.7Very low159 Ų159116 Ų11674%0.73665%0.654SS**  cis-147.9150.2-20.6-133.516.3000114.5
1272S23Very low25Very low82 Ų82115.7 Ų115.757%0.57365%0.652SS**  trans-13.4135.5147.1-84.10000119.4
1273T26.6Very low25.3Very low118 Ų118114 Ų11472%0.72464%0.641SS**  trans69.8151.3139.667.40000117.4
1274K27.3Very low25.7Very low167 Ų167113.6 Ų113.673%0.72663%0.632SS**  -164.5121.878.6-90.3-171.7176.7171.20112.8
1275T26.2Very low26.2Very low89 Ų89113 Ų11355%0.54663%0.63SS.*  89.6177.1104.869.60000113.2A1105A1105-T1275 CarbonylContact O-C 3.56Å
1276T25.2Very low26.6Very low72 Ų72114.2 Ų114.244%0.44264%0.638SS.*  cis-145.7153.8-0.1-190000112.7A1105 S1278A1105-T1276 PolarHBondContact O-N 2.98Å; T1276-S1278 VanDerWaalsContact CG2-OG 3.28Å; T1276-S1278 WeakPolarHBondContact CG2-OG 3.34Å
1277F25.8Very low27Very low194 Ų194116.4 Ų116.485%0.85165%0.651SS**  trans158.689.9137.6-90.4-64.7000107.7
1278S24.5Very low27.5Very low81 Ų81117 Ų11757%0.56666%0.655SS**  76.194.657.3-56.80000115T1276T1276-S1278 VanDerWaalsContact CG2-OG 3.28Å; T1276-S1278 WeakPolarHBondContact CG2-OG 3.34Å
1279N28Very low27.7Very low160 Ų160119.4 Ų119.486%0.85667%0.667SS**  -151.6121.6120.4-86.7-34.1000106.3
1280S26.7Very low27.9Very low97 Ų97121.8 Ų121.868%0.67867%0.674SS**  cis77.811545.9-167.20000113.1
1281I29.8Very low28Very low139 Ų139120 Ų12071%0.71367%0.671SS**  171.3119.1124.2-89.5162.8000109.4
1282N30.4Very low28Very low146 Ų146118.9 Ų118.978%0.78167%0.671SS**  trans58.1149.1153-59.911.9000118.6
1283S30.3Very low28.4Very low96 Ų96122.6 Ų122.667%0.67168%0.684SS**  cis-170.2167.4-0.1-110.60000107.7
1284S31.8Very low28.6Very low84 Ų84121.3 Ų121.359%0.58768%0.68SS**  cis-172.3157.4-9.4-112.10000109.8
1285N33Very low28.7Very low124 Ų124119.6 Ų119.666%0.66368%0.679SS**  trans58.3140.4139.2-67.163.4000119.9
1286D31.9Very low28.8Very low114 Ų114121.6 Ų121.661%0.6169%0.686SS**  cis-168.3177.48.7-92.2-19.7000107.3
1287N30.7Very low29Very low124 Ų124124.1 Ų124.166%0.66370%0.697SS**  cis-174.5167.1-22.9-92.1-13.4000107.6
1288T30.7Very low29.1Very low111 Ų111120.8 Ų120.868%0.68169%0.688SS**  cis-159.1155.7-10230000110.8
1289T28.4Very low29.3Very low115 Ų115123.1 Ų123.171%0.70669%0.694SS**  trans-24.6166.5140.345.70000117.5
1290N26.2Very low29.2Very low128 Ų128121.9 Ų121.968%0.68469%0.687SS**  cis167.4150.2-20.7-112.247.6000105.7
1291D25.9Very low29.3Very low120 Ų120124 Ų12464%0.64269%0.692SS**  trans74.9133.1135.4-61.6-7.5000127.2
1292N26Very low29.4Very low136 Ų136123.5 Ų123.573%0.72770%0.695SS**  trans72.5106.9132-66.6-21.6000123.1
1293N30Very low29.3Very low159 Ų159121.3 Ų121.385%0.8569%0.691SS**  -179.9152.5124.8-99.3-56.9000110.2
1294S32Very low29.2Very low91 Ų91121.3 Ų121.364%0.63669%0.691SS**  cis-157.7148.8-14-148.40000111.5
1295N29.8Very low28.9Very low131 Ų131124.5 Ų124.570%0.70170%0.701SS**  trans5128.5158.2-67.2-25.7000122.7
1296N28.4Very low28.5Very low131 Ų131126.2 Ų126.270%0.70171%0.705SS**  78.4129.3124.4-65.9-8.7000123.8
1297N28.6Very low28.1Very low126 Ų126127.7 Ų127.767%0.67471%0.71SS**  trans83.6107.8136-67.41.3000121.5
1298N28Very low27.8Very low124 Ų124129.1 Ų129.166%0.66371%0.712SS**  88.7106.5123.1-64.90.1000120.5
1299N27.7Very low27.5Very low129 Ų129129.1 Ų129.169%0.6971%0.712SS**  96.6130.8124-64.8-3.1000120.2
1300N27.2Very low27.8Very low134 Ų134128.7 Ų128.772%0.71771%0.711SS**  trans67.8107.1149.7-55.5-10.1000118.2
1301N29Very low27.7Very low143 Ų143131 Ų13177%0.76572%0.716SS**  -172.4147.892.3-90.2-37.3000113.4
1302T30.7Very low27.6Very low128 Ų128132.5 Ų132.579%0.78572%0.72SS**  trans55.5140.9152.652.30000121
1303S28.2Very low27.5Very low99 Ų99130.4 Ų130.469%0.69272%0.717SS**  cis-172.8150.6-14.345.60000111.9
1304S28.3Very low27.4Very low97 Ų97129.4 Ų129.468%0.67871%0.708SS**  trans53108.7146.761.50000122.9
1305L26Very low27.2Very low151 Ų151131.8 Ų131.879%0.79171%0.709SS**  59.8127.4118.5-68.3162.5000123.7
1306Q24.7Very low27.1Very low159 Ų159130.3 Ų130.374%0.74370%0.701SS**  trans70.8125135.6-77.1-175-68.800124.1
1307M24Very low27.2Very low146 Ų146130.9 Ų130.972%0.71970%0.7SS**  trans67.3124.6134.8-57.8-61.5-106.400122.5
1308H23.5Very low27.2Very low153 Ų153129 Ų12971%0.70870%0.696SS**  trans64.4115.6142.7-88.7-85.3000122.6
1309T24.1Very low27.3Very low112 Ų112133.1 Ų133.169%0.68770%0.703SS**  30.9150.4125.856.40000122.5
1310P36.3Very low27.3Very low105 Ų105130.9 Ų130.968%0.68270%0.697SS**  cis-151.5-162.2-28.844.8-25000115.3
1311F22.6Very low27.3Very low178 Ų178131.6 Ų131.678%0.78170%0.698SS**  trans72.4131.2155.2-95.6-114.5000121.6
1312M24Very low27.2Very low150 Ų150129.1 Ų129.174%0.73969%0.692SS**  trans69.1151.5151.9-62.7-66.1102.700119.3
1313S24.7Very low27Very low93 Ų93127.7 Ų127.765%0.6569%0.687SS**  cis-169.5-174.9-22.1-169.70000109.7
1314M26.6Very low26.8Very low137 Ų137127.1 Ų127.168%0.67568%0.683SS**  trans84115.2160-60.7-72-82.200120
1315H28.8Very low26.8Very low142 Ų142129.2 Ų129.266%0.65769%0.687SS**  trans77.8143130.8-81.430.4000119.8
1316N27.8Very low26.8Very low99 Ų99129.7 Ų129.753%0.52969%0.689SS.*  cis-164.9145.9-18.9-131.5-9.4000111.4
1317Q30.3Very low26.7Very low143 Ų143127 Ų12767%0.66869%0.687SS**  trans56.5151.7145-72.6176.555.100120.3
1318S29.1Very low26.7Very low86 Ų86126.1 Ų126.160%0.60169%0.685SS**  cis-169.6-172.6-17.257.90000107.4
1319R30.1Very low26.9Very low212 Ų212125.9 Ų125.980%0.869%0.688SS**  cis-167.216819.4-120.2148.9-155.2-116.14.2104
1320S28.2Very low26.9Very low81 Ų81125.7 Ų125.757%0.56669%0.687SS**  cis179.3155.8-17.847.20000104.9
1321M26.5Very low26.2Very low150 Ų150128 Ų12874%0.73969%0.694SS**  -158.2123.358.4-67.2-106.171.500106.1
1322S26.9Very low26.3Very low90 Ų90123.5 Ų123.563%0.62969%0.689SS**  71.1150.479.289.50000112.8
1323S25.9Very low26.4Very low99 Ų99121.7 Ų121.769%0.69269%0.686SS**  cis-175.6165.710.712.80000107.6
1324S24.2Very low26.3Very low86 Ų86123.9 Ų123.960%0.60169%0.691SS**  cis173.6173.6-18.253.80000107.9
1325N27.8Very low26.5Very low142 Ų142124.9 Ų124.976%0.75970%0.697SS**  trans70.8159.9157-60.3-9.4000117.6
1326L26Very low26.7Very low161 Ų161123.6 Ų123.684%0.84370%0.703SS**  cis-161.4177.8-37.6-155.476.4000107
1327C23.1Very low26.7Very low103 Ų103122.2 Ų122.270%0.69671%0.712SS**  trans-81.3173.2174.5-56.90000114.1
1328D23.9Very low26.5Very low126 Ų126119.6 Ų119.667%0.67471%0.71SS**  trans98.2150.7145.3-62.9-22.3000122.3
1329L27.4Very low26.2Very low148 Ų148124.4 Ų124.478%0.77572%0.723SS**  trans70.389.9170.2-90.271.3000120.7
1330T24.4Very low26Very low108 Ų108119.4 Ų119.466%0.66372%0.72SS**  45.1134.411462.70000122.4
1331N22.7Very low25.9Very low155 Ų155121.5 Ų121.583%0.82973%0.73SS**  trans73.2171.4136.2-74.6-6.3000119.9
1332A24.7Very low26Very low83 Ų83119.7 Ų119.769%0.68673%0.727SS**  trans71.878.1165.300000116.4
1333T24.6Very low26.1Very low111 Ų111120.7 Ų120.768%0.68173%0.73SS**  36.7130.311357.90000118.9
1334D23.6Very low26.1Very low140 Ų140123 Ų12375%0.74973%0.73SS**  trans57110.3134.9-45-19.5000117.9
1335I31.5Very low26Very low157 Ų157128.6 Ų128.681%0.80574%0.739SS**  -171.1133.790.7-91.7156000108.1
1336C32.9Very low25.8Very low115 Ų115127.8 Ų127.878%0.77774%0.735SS**  trans51.4121.2166.1-70.90000117.1
1337G26.9Very low25.6Very low70 Ų70123.6 Ų123.672%0.72272%0.719SS**  cis64.8167.52800000112
1338S25.3Very low25.5Very low88 Ų88126 Ų12662%0.61572%0.722SS**  cis-145.2144.8-7.4-49.70000108.9
1339E23.6Very low25.4Very low187 Ų187126.5 Ų126.587%0.87472%0.723SS**  12.6113.4120-51.3168.6121.400116
1340S26.1Very low25.2Very low107 Ų107128.9 Ų128.975%0.74872%0.723SS**  trans-146.9134.6145.853.80000108.4
1341T26.1Very low25Very low125 Ų125129.6 Ų129.677%0.76772%0.723SS**  cis-164.9165.2-12.819.60000103.9
1342T28.2Very low25.1Very low112 Ų112129.3 Ų129.369%0.68772%0.721SS**  cis-163.5163.19.71.20000104.6
1343T28.9Very low25Very low112 Ų112131.8 Ų131.869%0.68772%0.723SS**  cis-131.71367.325.30000107.6
1344Q25.8Very low25Very low147 Ų147132.2 Ų132.269%0.68772%0.72SS**  71.1105.471.9-163168.51100110.4
1345Y22.4Very low25Very low204 Ų204133.4 Ų133.480%0.872%0.719SS**  62.9148.6104.3-75-87.4000113.1
1346D23.3Very low24.8Very low124 Ų124133 Ų13366%0.66372%0.724SS**  cis-154.8161.926.9-139.6-29.6000115.5
1347S21.4Very low24.4Very low74 Ų74132.4 Ų132.452%0.51772%0.721SS.*  trans29.9129.4139.4-73.20000124.5
1348M20.8Very low24.3Very low154 Ų154139.7 Ų139.776%0.75973%0.726SS**  64.7162.9120.5-56.8-170.3-74.800122.2
1349I22.3Very low24.3Very low136 Ų136140.6 Ų140.670%0.69773%0.725SS**  trans76.4114.1150.8-73.2150.9000118.7
1350Y22.8Very low24.5Very low197 Ų197136.9 Ų136.977%0.77371%0.714SS**  trans54.8118142.9-80.4-103.5000122.6
1351D21.9Very low24.6Very low124 Ų124138.6 Ų138.666%0.66371%0.714SS**  64.7148.1122.1-61.68.9000124.5
1352D23.2Very low24.7Very low148 Ų148139.1 Ų139.179%0.79171%0.712SS**  trans63.581.6149.4-68.64.5000122.1
1353D23.4Very low24.6Very low136 Ų136140 Ų14073%0.72771%0.712SS**  55.6164.8103.8-158.123.6000121.4
1354I24.9Very low24.8Very low120 Ų120140.1 Ų140.162%0.61571%0.714SS**  trans79.284.4165.5-49.7-171.4000116.8
1355K24.3Very low24.8Very low165 Ų165137.7 Ų137.772%0.71771%0.713SS**  43.7126121.7-55.8160.8-165.8147.20118.3
1356T26.4Very low24.9Very low149 Ų149133 Ų13391%0.91471%0.711SS**  -156.9159.299.68.30000112.4
1357S24Very low25.1Very low102 Ų102132.4 Ų132.471%0.71372%0.716SS**  trans-105.6173.2-171.9-46.60000112.4
1358R25.2Very low25.2Very low222 Ų222136.2 Ų136.284%0.83873%0.73SS**  trans124.5146.5143.1-68-146.1146.694.64.9116
1359D25.5Very low25.6Very low108 Ų108133.8 Ų133.858%0.57873%0.725SS**  cis-173.6-175.7-25.3-103-12.3000106.9
1360V27.4Very low25.6Very low109 Ų109135.1 Ų135.166%0.66173%0.729SS**  trans65.8144.3157.1-90.10000117.4L1363V1360-L1363 HydrophobicContact CG1-CD1 4.21Å
1361L28Very low25.7Very low143 Ų143131.7 Ų131.775%0.74973%0.728SS**SBendcis-141.315124.1-76.7171.1000109.6
1362L28.8Very low25.8Very low135 Ų135134.6 Ų134.671%0.70774%0.735SS**  cis-139.4150.6-7-79.4126.8000107.5
1363L27Very low25.8Very low131 Ų131134.4 Ų134.469%0.68673%0.733SS**  cis68.3155.448.8-87.375.1000114.7V1360V1360-L1363 HydrophobicContact CG1-CD1 4.21Å
1364P32.1Very low25.9Very low115 Ų115135.2 Ų135.275%0.74773%0.732SS**  cis-119.1-172.2-9.932.3-10.6000111.2
1365S25Very low25.8Very low95 Ų95136.7 Ų136.766%0.66474%0.737SS**  cis-162.2140.629.260.60000115.6
1366S25.2Very low25.8Very low107 Ų107135.8 Ų135.875%0.74874%0.739SS**  trans46.1139.3135.960.90000122.1
1367S27.3Very low25.7Very low111 Ų111135.5 Ų135.578%0.77673%0.73SS**  cis-165.8152.40.144.90000113.9
1368L23.1Very low25.7Very low153 Ų153137.9 Ų137.980%0.80173%0.73SS**  trans-72.2-176.7155.8-113.668.7000110.9
1369P30.4Very low25.8Very low103 Ų103134.3 Ų134.367%0.66972%0.723SS**  cis-134.6-172.2-6.130-6.5000115.3
1370E22.4Very low25.9Very low164 Ų164135.5 Ų135.577%0.76673%0.725SS**  trans-42.6163.4156.6-46.9132.3111.300115.7
1371V23.8Very low25.9Very low126 Ų126134.1 Ų134.176%0.76471%0.714SS**  -170.9133122.8135.90000111.9
1372K25.1Very low25.8Very low184 Ų184131.5 Ų131.580%0.870%0.698SS**  trans43.8131.7156.1-62.3177-177.1-1780120.4
1373L22.1Very low25.9Very low145 Ų145131.4 Ų131.476%0.75970%0.696SS**  cis87.88943.1-170.2144.7000113.7
1374H26Very low26Very low153 Ų153130.2 Ų130.271%0.70870%0.695SS**  trans-178.8132.9145.4-112.1-82.9000105.5
1375E22Very low25.7Very low151 Ų151129.5 Ų129.571%0.70669%0.693SS**  cis85.4133.324.9-162.4172.3-136.200114.7
1376L25.7Very low25.7Very low146 Ų146133.1 Ų133.176%0.76470%0.697SS**  trans72.6113.2-167.7-57.2166.2000114.1
1377I23.6Very low25.6Very low142 Ų142134.6 Ų134.673%0.72870%0.701SS**  cis95.9125.937.6-63.6176.5000113.3
1378E23.9Very low25.6Very low152 Ų152136.2 Ų136.271%0.7170%0.7SS**  trans83142159.6-85.8-173.211500126
1379Q27.4Very low25.9Very low147 Ų147134.6 Ų134.669%0.68769%0.692SS**  trans42.891.3152.8-58.5-176.236.900118.5
1380Q27Very low25.6Very low133 Ų133136.5 Ų136.562%0.62170%0.697SS**  79.9131.859.3-164178.3-5.300115.4
1381N27.8Very low25.9Very low80 Ų80135.8 Ų135.843%0.42869%0.693SS.*  trans80.7136.2177.1-54.4-51.3000115.9
1382Q26.1Very low26.3Very low89 Ų89137.7 Ų137.742%0.41670%0.699SS.*  cis-156.4144.8-4.4-121.9-176.1-200113.3T1885Q1382-T1885 VanDerWaalsContact NE2-CG2 3.34Å
1383I30.1Very low26.8Very low132 Ų132132.1 Ų132.168%0.67768%0.683SS**  trans45.2129.5136.7-69.8171.1000119.1
1384T29.7Very low27.3Very low106 Ų106133.2 Ų133.265%0.6568%0.681SS**  cis-158.1-142.8-15.840.20000105.5
1385S26.7Very low27.8Very low100 Ų100133 Ų13370%0.69968%0.678SS**  cis-166.2158-4.516.30000108.4
1386F24.9Very low28.9Very low171 Ų171128.8 Ų128.875%0.7567%0.665SS**  cis-149.3138.4-16.7-132.5-63.7000107.5L1388F1386-L1388 HydrophobicContact CD1-CD1 4.45Å; F1386-L1388 HydrophobicContact CE1-CD1 4.42Å
1387T22.8Very low29.7Very low138 Ų138129.9 Ų129.985%0.84766%0.659SS**  trans-112.8133.617144.50000111
1388L26.8Very low30.5Very low145 Ų145128.1 Ų128.176%0.75965%0.651SS**  trans-157.1129.2-178.1-135.881.6000106.8F1386F1386-L1388 HydrophobicContact CD1-CD1 4.45Å; F1386-L1388 HydrophobicContact CE1-CD1 4.42Å
1389L28.7Very low31.5Very low120 Ų120128.1 Ų128.163%0.62865%0.648SS**  cis-124.8153.2-6-77.283.9000109.9
1390D25.3Very low32.7Very low142 Ų142127.5 Ų127.576%0.75964%0.64SS**  -114.7-176.5129.6-153.7-26.3000108.2
1391H29Very low33.8Very low149 Ų149125.5 Ų125.569%0.6963%0.632SS**  trans94.266.1-179.6-51.2-30.8000117.6C1393H1391-C1393 PolarHBondContact O-N 2.92Å
1392N31.2Very low34.5Very low166 Ų166127 Ų12789%0.88864%0.636SS**  trans-74.272.9155-101.1-47.5000111.8
1393C36.6Very low35.9Very low68 Ų68128.9 Ų128.946%0.45965%0.645SS.*  trans-114137.3171.1-178.40000111.7H1391 K1395 C1396 R1397H1391-C1393 PolarHBondContact O-N 2.92Å; C1393-K1395 PolarHBondContact O-N 2.72Å; C1393-C1396 WeakPolarHBondContact O-CB 3.47Å; C1393-C1396 PolarHBondContact O-N 3.05Å; C1393-R1397 PolarHBondContact O-N 2.98Å; C1393-R1397 VanDerWaalsContact O-N 3.1Å
1394F33.1Very low37.1Very low167 Ų167127.4 Ų127.473%0.73264%0.635SS**Hα-helixtrans-54.4-37.3-179.7-169.1-95000112.8C1396 R1397 L1398F1394-C1396 PolarHBondContact O-N 2.92Å; F1394-R1397 PolarHBondContact O-N 3.04Å; F1394-L1398 WeakPolarHBondContact O-CB 3.25Å; F1394-L1398 PolarHBondContact O-N 3.14Å
1395K35.9Very low37.9Very low149 Ų149128.2 Ų128.265%0.64863%0.627SS**Hα-helixtrans-64.5-37.4177.5-165.1172.8-175177.10112.3C1393 K1399C1393-K1395 PolarHBondContact O-N 2.72Å; K1395-K1399 WeakPolarHBondContact O-CB 3.28Å; K1395-K1399 PolarHBondContact O-N 3.32Å
1396C44.2Very low39.1Very low63 Ų63127.1 Ų127.143%0.42661%0.613SS.*Hα-helixtrans-71.3-40.3176.5-58.10000111.5C1393 F1394 K1399 R1400C1393-C1396 WeakPolarHBondContact O-CB 3.47Å; C1393-C1396 PolarHBondContact O-N 3.05Å; F1394-C1396 PolarHBondContact O-N 2.92Å; C1396-K1399 PolarHBondContact O-N 3.04Å; C1396-R1400 PolarHBondContact O-N 3.45Å
1397R42.8Very low40.4Very low169 Ų169124.1 Ų124.164%0.63860%0.601SS**Hα-helixtrans-65.5-40.8176.3-167.4169.6-176.6156.8-0.1112.1C1393 F1394 R1400 I1401C1393-R1397 PolarHBondContact O-N 2.98Å; C1393-R1397 VanDerWaalsContact O-N 3.1Å; F1394-R1397 PolarHBondContact O-N 3.04Å; R1397-R1400 PolarHBondContact O-N 2.82Å; R1397-I1401 HydrophobicContact CG-CD1 4.22Å; R1397-I1401 WeakPolarHBondContact O-CG1 3.48Å; R1397-I1401 PolarHBondContact O-N 3.25Å
1398L41.2Very low41.7Very low105 Ų105122.8 Ų122.855%0.5559%0.588SS.*Hα-helixtrans-66-41.3175.1-157.475.5000111.8F1394 R1400 I1401 H1402F1394-L1398 WeakPolarHBondContact O-CB 3.25Å; F1394-L1398 PolarHBondContact O-N 3.14Å; L1398-R1400 VanDerWaalsContact C-N 3.34Å; L1398-R1400 PolarHBondContact O-N 3.39Å; L1398-I1401 PolarHBondContact O-N 2.94Å; L1398-H1402 WeakPolarHBondContact O-CB 3.46Å; L1398-H1402 PolarHBondContact O-N 3.35Å
1399K44.6Very low42.5Very low151 Ų151119.4 Ų119.466%0.65757%0.571SS**Hα-helixtrans-64.5-37.4175.9-161.3178.3-175.1-172.20112.1K1395 C1396 H1402 Q1403K1395-K1399 WeakPolarHBondContact O-CB 3.28Å; K1395-K1399 PolarHBondContact O-N 3.32Å; C1396-K1399 PolarHBondContact O-N 3.04Å; K1399-H1402 PolarHBondContact O-N 3.18Å; K1399-Q1403 WeakPolarHBondContact O-CB 3.49Å; K1399-Q1403 PolarHBondContact O-N 2.93Å; K1399-Q1403 VanDerWaalsContact O-N 3.08Å
1400R51.4Low43.3Very low135 Ų135119.9 Ų119.951%0.50957%0.569SS.*Hα-helixtrans-64.3-50174.3-166.9-174-62.6168.21.1111.9C1396 R1397 L1398 H1402 Q1403 E1404C1396-R1400 PolarHBondContact O-N 3.45Å; R1397-R1400 PolarHBondContact O-N 2.82Å; L1398-R1400 VanDerWaalsContact C-N 3.34Å; L1398-R1400 PolarHBondContact O-N 3.39Å; R1400-H1402 VanDerWaalsContact C-N 3.27Å; R1400-H1402 PolarHBondContact O-N 3.45Å; R1400-Q1403 PolarHBondContact O-N 2.6Å; R1400-E1404 WeakPolarHBondContact CD-OE1 3.42Å; R1400-E1404 HydrophobicContact CG-CG 4.29Å; R1400-E1404 VanDerWaalsContact CG-OE1 3.24Å; R1400-E1404 WeakPolarHBondContact CG-OE1 3.47Å; R1400-E1404 WeakPolarHBondContact O-CG 3.36Å; R1400-E1404 PolarHBondContact O-N 3.25Å
1401I50Low44.7Very low91 Ų91117.6 Ų117.647%0.46755%0.554SS.*Hα-helixtrans-58.4-39.9177.4-68.4164.1000111.3R1397 L1398 Q1403 Y1405R1397-I1401 HydrophobicContact CG-CD1 4.22Å; R1397-I1401 WeakPolarHBondContact O-CG1 3.48Å; R1397-I1401 PolarHBondContact O-N 3.25Å; L1398-I1401 PolarHBondContact O-N 2.94Å; I1401-Q1403 VanDerWaalsContact C-N 3.31Å; I1401-Q1403 PolarHBondContact O-N 3.27Å; I1401-Y1405 WeakPolarHBondContact O-CB 3.44Å; I1401-Y1405 PolarHBondContact O-N 3.24Å
1402H44.1Very low45.2Very low111 Ų111113 Ų11351%0.51454%0.539SS..Hα-helixtrans-64.4-34.7175.3-173.8-74.2000112.8L1398 K1399 R1400 I1406L1398-H1402 WeakPolarHBondContact O-CB 3.46Å; L1398-H1402 PolarHBondContact O-N 3.35Å; K1399-H1402 PolarHBondContact O-N 3.18Å; R1400-H1402 VanDerWaalsContact C-N 3.27Å; R1400-H1402 PolarHBondContact O-N 3.45Å; H1402-I1406 VanDerWaalsContact CE1-CD1 3.43Å; H1402-I1406 WeakPolarHBondContact CE1-CD1 3.45Å; H1402-I1406 WeakPolarHBondContact O-CG1 3.47Å; H1402-I1406 PolarHBondContact O-N 3.19Å; H1402-I1406 VanDerWaalsContact O-N 3.09Å
1403Q55.5Low45.7Very low129 Ų129109.2 Ų109.260%0.60352%0.518SS*.Hα-helixtrans-79.9-40.3-179.5-163.7160.2-5.200111.7K1399 R1400 I1401 Y1405 I1406 Q1407K1399-Q1403 WeakPolarHBondContact O-CB 3.49Å; K1399-Q1403 PolarHBondContact O-N 2.93Å; K1399-Q1403 VanDerWaalsContact O-N 3.08Å; R1400-Q1403 PolarHBondContact O-N 2.6Å; I1401-Q1403 VanDerWaalsContact C-N 3.31Å; I1401-Q1403 PolarHBondContact O-N 3.27Å; Q1403-Y1405 VanDerWaalsContact C-N 3.32Å; Q1403-Y1405 PolarHBondContact O-N 3.37Å; Q1403-I1406 PolarHBondContact O-N 3.06Å; Q1403-Q1407 WeakPolarHBondContact O-CB 3.49Å; Q1403-Q1407 PolarHBondContact O-N 3.03Å
1404E54.6Low46Very low101 Ų101113 Ų11347%0.47253%0.527SS..Hα-helixtrans-60.1-40.2169-70.316417500111.3R1400 Q1407 L1408R1400-E1404 WeakPolarHBondContact CD-OE1 3.42Å; R1400-E1404 HydrophobicContact CG-CG 4.29Å; R1400-E1404 VanDerWaalsContact CG-OE1 3.24Å; R1400-E1404 WeakPolarHBondContact CG-OE1 3.47Å; R1400-E1404 WeakPolarHBondContact O-CG 3.36Å; R1400-E1404 PolarHBondContact O-N 3.25Å; E1404-Q1407 PolarHBondContact O-N 2.99Å; E1404-L1408 PolarHBondContact O-N 3.37Å
1405Y47.1Very low46.3Very low123 Ų123110.7 Ų110.748%0.48252%0.522SS..Hα-helixtrans-66.4-45.6176.2-178.1-107.7000112.7I1401 Q1403 Q1407 L1408 L1409I1401-Y1405 WeakPolarHBondContact O-CB 3.44Å; I1401-Y1405 PolarHBondContact O-N 3.24Å; Q1403-Y1405 VanDerWaalsContact C-N 3.32Å; Q1403-Y1405 PolarHBondContact O-N 3.37Å; Y1405-Q1407 VanDerWaalsContact C-N 3.31Å; Y1405-Q1407 PolarHBondContact O-N 3.22Å; Y1405-L1408 PolarHBondContact O-N 3.11Å; Y1405-L1409 HydrophobicContact CE1-CD1 3.86Å; Y1405-L1409 WeakPolarHBondContact O-CB 3.36Å; Y1405-L1409 PolarHBondContact O-N 3.05Å
1406I50.4Low46.4Very low76 Ų76108 Ų10839%0.3951%0.514SS..Hα-helixtrans-62.4-40.1174.9-75.2176.6000111.1H1402 Q1403 L1409 Q1410H1402-I1406 VanDerWaalsContact CE1-CD1 3.43Å; H1402-I1406 WeakPolarHBondContact CE1-CD1 3.45Å; H1402-I1406 WeakPolarHBondContact O-CG1 3.47Å; H1402-I1406 PolarHBondContact O-N 3.19Å; H1402-I1406 VanDerWaalsContact O-N 3.09Å; Q1403-I1406 PolarHBondContact O-N 3.06Å; I1406-L1409 PolarHBondContact O-N 3.4Å; I1406-L1409 VanDerWaalsContact O-N 3.16Å; I1406-Q1410 HydrophobicContact CG2-CG 4.48Å; I1406-Q1410 WeakPolarHBondContact O-CG 3.38Å; I1406-Q1410 PolarHBondContact O-N 2.88Å
1407Q52.5Low45.9Very low109 Ų109109.9 Ų109.951%0.50952%0.519SS..Hα-helixtrans-64.6-43.7178-172.6167.8-17.300111.8Q1403 E1404 Y1405 L1409 Q1410 E1411Q1403-Q1407 WeakPolarHBondContact O-CB 3.49Å; Q1403-Q1407 PolarHBondContact O-N 3.03Å; E1404-Q1407 PolarHBondContact O-N 2.99Å; Y1405-Q1407 VanDerWaalsContact C-N 3.31Å; Y1405-Q1407 PolarHBondContact O-N 3.22Å; Q1407-L1409 VanDerWaalsContact C-N 3.28Å; Q1407-L1409 PolarHBondContact O-N 2.97Å; Q1407-Q1410 PolarHBondContact O-N 3.31Å; Q1407-E1411 PolarHBondContact NE2-OE1 3.33Å; Q1407-E1411 WeakPolarHBondContact O-CB 3.5Å; Q1407-E1411 WeakPolarHBondContact O-CG 3.41Å; Q1407-E1411 PolarHBondContact O-N 3.42Å
1408L50.3Low45.6Very low110 Ų110108.2 Ų108.258%0.57652%0.523SS*.Hα-helixtrans-60.9-34.8171.3-86.4163.3000113E1404 Y1405 S1412E1404-L1408 PolarHBondContact O-N 3.37Å; Y1405-L1408 PolarHBondContact O-N 3.11Å; L1408-S1412 WeakPolarHBondContact O-CB 3.25Å; L1408-S1412 PolarHBondContact O-N 3.3Å; L1408-S1412 PolarHBondContact O-OG 3.32Å
1409L43.4Very low45.1Very low74 Ų74107.6 Ų107.639%0.38753%0.527SS..Hα-helixtrans-71.2-37.8176.8-136.2162000111.3Y1405 I1406 Q1407 S1412 L1413Y1405-L1409 HydrophobicContact CE1-CD1 3.86Å; Y1405-L1409 WeakPolarHBondContact O-CB 3.36Å; Y1405-L1409 PolarHBondContact O-N 3.05Å; I1406-L1409 PolarHBondContact O-N 3.4Å; I1406-L1409 VanDerWaalsContact O-N 3.16Å; Q1407-L1409 VanDerWaalsContact C-N 3.28Å; Q1407-L1409 PolarHBondContact O-N 2.97Å; L1409-S1412 WeakPolarHBondContact CA-OG 3.21Å; L1409-S1412 PolarHBondContact O-OG 3Å; L1409-L1413 HydrophobicContact CD2-CD1 3.73Å; L1409-L1413 HydrophobicContact CD2-CG 4.22Å; L1409-L1413 VanDerWaalsContact O-CB 3.3Å; L1409-L1413 WeakPolarHBondContact O-CB 3.49Å; L1409-L1413 WeakPolarHBondContact O-CG 3.49Å; L1409-L1413 PolarHBondContact O-N 3.1Å
1410Q47.2Very low44.3Very low129 Ų129106.3 Ų106.360%0.60353%0.528SS*.Hα-helixtrans-70.9-36.1172.5-71.2-172.9-71.800112.9I1406 Q1407 K1414I1406-Q1410 HydrophobicContact CG2-CG 4.48Å; I1406-Q1410 WeakPolarHBondContact O-CG 3.38Å; I1406-Q1410 PolarHBondContact O-N 2.88Å; Q1407-Q1410 PolarHBondContact O-N 3.31Å; Q1410-K1414 WeakPolarHBondContact O-CB 3.31Å; Q1410-K1414 PolarHBondContact O-N 3.28Å
1411E52.8Low43.2Very low95 Ų95106.6 Ų106.644%0.44454%0.539SS..Hα-helixtrans-69.7-39.5175.3-75.5172.5-173.800111.7Q1407 K1414 L1415Q1407-E1411 PolarHBondContact NE2-OE1 3.33Å; Q1407-E1411 WeakPolarHBondContact O-CB 3.5Å; Q1407-E1411 WeakPolarHBondContact O-CG 3.41Å; Q1407-E1411 PolarHBondContact O-N 3.42Å; E1411-K1414 WeakPolarHBondContact O-CB 3.02Å; E1411-K1414 PolarHBondContact O-N 2.86Å; E1411-L1415 PolarHBondContact O-N 2.94Å
1412S40.4Very low42.1Very low53 Ų53109.8 Ų109.837%0.37156%0.557SS.*Hα-helixtrans-71.9-35.9173.448.90000113.1L1408 L1409 K1414 L1415 I1416L1408-S1412 WeakPolarHBondContact O-CB 3.25Å; L1408-S1412 PolarHBondContact O-N 3.3Å; L1408-S1412 PolarHBondContact O-OG 3.32Å; L1409-S1412 WeakPolarHBondContact CA-OG 3.21Å; L1409-S1412 PolarHBondContact O-OG 3Å; S1412-K1414 VanDerWaalsContact C-N 3.34Å; S1412-L1415 PolarHBondContact O-N 3.25Å; S1412-I1416 VanDerWaalsContact O-CG1 3.32Å; S1412-I1416 WeakPolarHBondContact O-CG1 3.31Å; S1412-I1416 PolarHBondContact O-N 2.82Å
1413L40.9Very low41.4Very low85 Ų85111.7 Ų111.745%0.44557%0.571SS.*Hα-helixtrans-64.6-35.9168.7-80.6166.2000112.4L1409 I1416 N1417L1409-L1413 HydrophobicContact CD2-CD1 3.73Å; L1409-L1413 HydrophobicContact CD2-CG 4.22Å; L1409-L1413 VanDerWaalsContact O-CB 3.3Å; L1409-L1413 WeakPolarHBondContact O-CB 3.49Å; L1409-L1413 WeakPolarHBondContact O-CG 3.49Å; L1409-L1413 PolarHBondContact O-N 3.1Å; L1413-I1416 PolarHBondContact O-N 3.49Å; L1413-N1417 WeakPolarHBondContact O-CB 3.45Å; L1413-N1417 PolarHBondContact O-N 2.98Å
1414K43.6Very low40.2Very low149 Ų149112.8 Ų112.865%0.64858%0.581SS**Hα-helixtrans-63.3-42.3170.1-97.4-172.5170.8-175.50112.2Q1410 E1411 S1412 I1416 N1417 N1418Q1410-K1414 WeakPolarHBondContact O-CB 3.31Å; Q1410-K1414 PolarHBondContact O-N 3.28Å; E1411-K1414 WeakPolarHBondContact O-CB 3.02Å; E1411-K1414 PolarHBondContact O-N 2.86Å; S1412-K1414 VanDerWaalsContact C-N 3.34Å; K1414-I1416 VanDerWaalsContact C-N 3.33Å; K1414-I1416 PolarHBondContact O-N 3.34Å; K1414-N1417 PolarHBondContact O-N 3.35Å; K1414-N1418 WeakPolarHBondContact O-CB 3.12Å; K1414-N1418 PolarHBondContact O-N 2.92Å; K1414-N1418 PolarHBondContact O-OD1 3.22Å
1415L40Very low38.9Very low118 Ų118115.1 Ų115.162%0.61860%0.597SS**Hα-helixtrans-64.6-36.2176.2-84.5158.9000112.6E1411 S1412 S1419E1411-L1415 PolarHBondContact O-N 2.94Å; S1412-L1415 PolarHBondContact O-N 3.25Å; L1415-S1419 PolarHBondContact O-N 3.47Å
1416I36.7Very low38.2Very low93 Ų93115.6 Ų115.648%0.47761%0.613SS.*Hα-helixtrans-70.5-47.9175.2-68.6164.3000110.8S1412 L1413 K1414 N1418 S1419 N1420S1412-I1416 VanDerWaalsContact O-CG1 3.32Å; S1412-I1416 WeakPolarHBondContact O-CG1 3.31Å; S1412-I1416 PolarHBondContact O-N 2.82Å; L1413-I1416 PolarHBondContact O-N 3.49Å; K1414-I1416 VanDerWaalsContact C-N 3.33Å; K1414-I1416 PolarHBondContact O-N 3.34Å; I1416-N1418 VanDerWaalsContact C-N 3.29Å; I1416-N1418 PolarHBondContact O-N 3.48Å; I1416-S1419 PolarHBondContact O-N 3.47Å; I1416-N1420 PolarHBondContact O-N 2.88Å
1417N35Very low37.1Very low102 Ų102118.9 Ų118.955%0.54563%0.631SS.*Hα-helixtrans-66.8-29.4178.5-75.68.3000113L1413 K1414 S1419L1413-N1417 WeakPolarHBondContact O-CB 3.45Å; L1413-N1417 PolarHBondContact O-N 2.98Å; K1414-N1417 PolarHBondContact O-N 3.35Å; N1417-S1419 PolarHBondContact O-N 2.95Å
1418N35.5Very low35.9Very low133 Ų133119 Ų11971%0.71164%0.643SS**THydrogen-bonded Turntrans-75.5-6.6171.4-72.97.9000113.5K1414 I1416K1414-N1418 WeakPolarHBondContact O-CB 3.12Å; K1414-N1418 PolarHBondContact O-N 2.92Å; K1414-N1418 PolarHBondContact O-OD1 3.22Å; I1416-N1418 VanDerWaalsContact C-N 3.29Å; I1416-N1418 PolarHBondContact O-N 3.48Å
1419S31.5Very low34.7Very low92 Ų92121.1 Ų121.164%0.64365%0.65SS**THydrogen-bonded Turntrans-105.3-8.5174.5-167.10000113.6L1415 I1416 N1417L1415-S1419 PolarHBondContact O-N 3.47Å; I1416-S1419 PolarHBondContact O-N 3.47Å; N1417-S1419 PolarHBondContact O-N 2.95Å
1420N28.2Very low33.9Very low125 Ų125123.5 Ų123.567%0.66866%0.663SS**SBendtrans-11828.8-178.3-81.311.5000112.6I1416I1416-N1420 PolarHBondContact O-N 2.88Å
1421N28.3Very low33Very low141 Ų141123.8 Ų123.875%0.75467%0.668SS**SBendtrans-144.659.8170.7-92.6-52.5000110.1
1422N26.6Very low31.7Very low158 Ų158125 Ų12585%0.84568%0.682SS**SBendtrans-150.351.2165.8-147.135.7000111.2
1423D28.6Very low31.1Very low150 Ų150129 Ų12980%0.80270%0.699SS**SBendtrans-146.2150.8163.6-106.3-35.6000109.8
1424N30.3Very low30.3Very low152 Ų152131.7 Ų131.781%0.81371%0.709SS**  trans64.894.9171.6-56.5-35.7000118.2
1425N28.8Very low29.3Very low151 Ų151133.7 Ų133.781%0.80771%0.714SS**  trans-142.376.2140-161.66000112
1426T32.2Very low28.6Very low132 Ų132135 Ų13581%0.8172%0.717SS**  trans-140.4133.3158.337.10000108.6
1427N27.3Very low27.9Very low145 Ų145138.8 Ų138.878%0.77574%0.737SS**  trans-68.2149.9177.2-52.4-49.8000109.6
1428C25.7Very low27.4Very low111 Ų111141.3 Ų141.375%0.7575%0.745SS**  -174.9147.575.4-86.40000112.9
1429H25.6Very low26.8Very low156 Ų156145.4 Ų145.472%0.72275%0.751SS**  trans49.8115.8140.9-78.8-71.8000123.1
1430D26.6Very low26.3Very low124 Ų124147 Ų14766%0.66375%0.752SS**  103.1131.4120.5-61.7-11.7000123.8
1431D29.3Very low26.2Very low135 Ų135146.6 Ų146.672%0.72276%0.755SS**  trans63.8103.1144.9-62.7-12.8000123.5
1432V25.3Very low25.9Very low120 Ų120145.3 Ų145.373%0.72776%0.756SS**  42.211997.8179.90000114.8
1433D27.1Very low25.8Very low136 Ų136146.4 Ų146.473%0.72776%0.757SS**  -166.7-177.667.4-146.3-19000115.2
1434H23.8Very low25.6Very low142 Ų142144.4 Ų144.466%0.65775%0.75SS**  trans-41146.2163.5-79.5-120.5000113.8
1435Y22.8Very low25.4Very low191 Ų191143.2 Ų143.275%0.74975%0.748SS**  -179.3151.776.1-110.2-68.7000115.7
1436Q25.9Very low25.4Very low147 Ų147142.7 Ų142.769%0.68774%0.744SS**  trans58.4141.1144-107.8-176108.200124.8
1437L21.3Very low25.2Very low171 Ų171143 Ų14390%0.89574%0.74SS**  trans-92.7117.1159.1-90.4148.8000111.2
1438Q24.7Very low25.3Very low155 Ų155142.9 Ų142.972%0.72474%0.74SS**  trans-144.1135.9150.9-67.8-161.814.500107
1439R22Very low25.4Very low219 Ų219143.8 Ų143.883%0.82674%0.737SS**  55130.269.2-72.8-166.9178.2-177.70.4111.7
1440N22.7Very low25.7Very low125 Ų125142.5 Ų142.567%0.66874%0.736SS**  cis-157.3177.719.2-108.2-9.2000111.8
1441T26.2Very low25.9Very low118 Ų118141.7 Ų141.772%0.72473%0.731SS**  trans40.9115.3151.251.60000119.5
1442S22.2Very low25.8Very low113 Ų113143.9 Ų143.979%0.7973%0.734SS**  71.614452.4-50.70000115.5
1443E23.7Very low25.7Very low181 Ų181143.5 Ų143.585%0.84674%0.737SS**  trans78138.9177.8-56.7-160.1137.400116
1444T24.5Very low25.7Very low108 Ų108142.2 Ų142.266%0.66374%0.739SS**  cis-165.2149.6-1.6160000111.9
1445V25Very low25.7Very low127 Ų127146.4 Ų146.477%0.7775%0.749SS**  trans67.5129.1143.5171.10000116
1446I29.5Very low25.9Very low141 Ų141144.1 Ų144.172%0.72375%0.748SS**  -153.7144.862.5-73177.5000111.1
1447D28.3Very low25.9Very low137 Ų137143.1 Ų143.173%0.73375%0.752SS**  trans15.2158.4143.3-33.8-25.9000121.3
1448D30Very low26.1Very low144 Ų144138.9 Ų138.977%0.7774%0.742SS**  cis-160.1178.814.7-146.6-12.7000114.1
1449D27.6Very low26.1Very low129 Ų129139 Ų13969%0.6975%0.748SS**  trans-42.5147.4179.9-82.1-36.2000117.8
1450N31.2Very low26.3Very low130 Ų130137 Ų13770%0.69575%0.747SS**  179.2142.987.1-100.6-80.8000118.7
1451N29.8Very low26.3Very low107 Ų107136.9 Ų136.957%0.57275%0.751SS**  trans55.2115.6141.2-83.3-61000126.6
1452K27.7Very low26.4Very low181 Ų181139.9 Ų139.979%0.78775%0.754SS**  49116.1125.4-61.2-176.1-174.193.90121.3
1453S23.9Very low26.5Very low112 Ų112142.6 Ų142.678%0.78375%0.754SS**  75.7116.386-158.50000116.2
1454S26.5Very low26.7Very low109 Ų109139.6 Ų139.676%0.76275%0.753SS**  174.714182.946.20000109.5
1455R24.5Very low26.8Very low230 Ų230143.1 Ų143.187%0.86876%0.759SS**  92.6145.273.3-157.2-170.4-171.6-178.75.3114.5
1456I27.4Very low26.9Very low143 Ų143143 Ų14373%0.73376%0.764SS**  trans95117.8170.5-58169.3000113.5
1457T24.3Very low26.8Very low126 Ų126139.6 Ų139.677%0.77375%0.753SS**  cis79.1128.433.270.20000116.3
1458A26.1Very low26.7Very low82 Ų82140.6 Ų140.668%0.67876%0.757SS**  cis-169.5174.9-5.200000111.3
1459N24.7Very low26.7Very low158 Ų158138.2 Ų138.285%0.84575%0.751SS**  trans73.4155.3169.7-54.7-13.2000116.3
1460E25.9Very low26.9Very low175 Ų175137.3 Ų137.382%0.81875%0.746SS**  cis-133.9146.213.9-77.1-171.313300115.7
1461V23.4Very low26.9Very low123 Ų123135.2 Ų135.275%0.74574%0.735SS**  trans31.6108.9135.1-170.80000120.6
1462K27.8Very low27.1Very low182 Ų182133.3 Ų133.379%0.79173%0.734SS**  -165.8170.2105.2-126.4137.7-173.1178.20115.9
1463Q24.4Very low27.5Very low170 Ų170130.5 Ų130.579%0.79473%0.726SS**  trans-57162.3-175.3-65.7140.9-46.200114.1
1464S28.6Very low28.4Very low118 Ų118130.3 Ų130.383%0.82571%0.713SS**  cis-146.7167.624.8630000115
1465K26.1Very low29.3Very low181 Ų181129.2 Ų129.279%0.78770%0.698SS**  trans-121153.4172.2-77.5179.5164.5-165.80109.7
1466S27.3Very low30Very low125 Ų125125.5 Ų125.587%0.87469%0.688SS**  trans-131.340.3153.551.70000112I1468S1466-I1468 PolarHBondContact O-N 3.02Å
1467S26.9Very low30.5Very low69 Ų69121.6 Ų121.648%0.48367%0.673SS.*  trans-73.7116.3172.960.80000111.3S1469S1467-S1469 PolarHBondContact O-N 2.71Å; S1467-S1469 VanDerWaalsContact O-N 3.12Å
1468I27.4Very low31.2Very low159 Ų159119.7 Ų119.782%0.81566%0.657SS**  trans-75.497.3166.9-61.3173.3000108.3S1466 L1470S1466-I1468 PolarHBondContact O-N 3.02Å; I1468-L1470 HydrophobicContact CG2-CD1 4.41Å
1469S28.5Very low32.1Very low94 Ų94122.4 Ų122.466%0.65765%0.654SS**  trans-102.9111.3174.956.90000111S1467S1467-S1469 PolarHBondContact O-N 2.71Å; S1467-S1469 VanDerWaalsContact O-N 3.12Å
1470L31.6Very low32.8Very low109 Ų109119.1 Ų119.157%0.57164%0.637SS**  trans-73.1136157.9-90.270.3000108.8I1468 Q1474I1468-L1470 HydrophobicContact CG2-CD1 4.41Å; L1470-Q1474 HydrophobicContact CD2-CB 4.49Å
1471D32.5Very low33.4Very low87 Ų87115.2 Ų115.247%0.46563%0.625SS.*  trans-77.8156.8178176.950.2000112.1I1473 Q1474 L1475D1471-I1473 PolarHBondContact O-N 3Å; D1471-I1473 VanDerWaalsContact O-N 3.12Å; D1471-I1473 WeakPolarHBondContact OD2-CB 3.15Å; D1471-I1473 VanDerWaalsContact OD2-CG1 3.3Å; D1471-I1473 WeakPolarHBondContact OD2-CG1 3.17Å; D1471-I1473 PolarHBondContact OD2-N 3.19Å; D1471-I1473 VanDerWaalsContact OD2-N 3.12Å; D1471-Q1474 WeakPolarHBondContact O-CB 3.45Å; D1471-Q1474 PolarHBondContact O-N 3.47Å; D1471-L1475 PolarHBondContact O-N 2.93Å; D1471-L1475 VanDerWaalsContact O-N 3.1Å
1472A33.3Very low34.1Very low67 Ų67112.8 Ų112.855%0.55461%0.607SS**Hα-helixtrans-54.8-30.5177.600000112.9K1476A1472-K1476 VanDerWaalsContact O-CB 3.3Å; A1472-K1476 WeakPolarHBondContact O-CB 3.5Å; A1472-K1476 PolarHBondContact O-N 3.33Å
1473I37.6Very low34.5Very low122 Ų122106.3 Ų106.363%0.62658%0.58SS**Hα-helixtrans-67.3-39.8174.9-61.6173.3000111.2D1471 K1476 C1477D1471-I1473 PolarHBondContact O-N 3Å; D1471-I1473 VanDerWaalsContact O-N 3.12Å; D1471-I1473 WeakPolarHBondContact OD2-CB 3.15Å; D1471-I1473 VanDerWaalsContact OD2-CG1 3.3Å; D1471-I1473 WeakPolarHBondContact OD2-CG1 3.17Å; D1471-I1473 PolarHBondContact OD2-N 3.19Å; D1471-I1473 VanDerWaalsContact OD2-N 3.12Å; I1473-K1476 PolarHBondContact O-N 2.91Å; I1473-C1477 PolarHBondContact O-N 3.34Å
1474Q40.9Very low35Very low108 Ų108101 Ų10151%0.50556%0.561SS.*Hα-helixtrans-67.8-43.3177.9-65.2171.7-44.300110.8L1470 D1471 K1476 C1477 L1478L1470-Q1474 HydrophobicContact CD2-CB 4.49Å; D1471-Q1474 WeakPolarHBondContact O-CB 3.45Å; D1471-Q1474 PolarHBondContact O-N 3.47Å; Q1474-K1476 VanDerWaalsContact C-N 3.32Å; Q1474-K1476 PolarHBondContact O-N 2.94Å; Q1474-C1477 PolarHBondContact O-N 3.4Å; Q1474-L1478 PolarHBondContact O-N 3Å
1475L46Very low35.2Very low86 Ų8698.4 Ų98.445%0.4554%0.542SS..Hα-helixtrans-57.3-42.1170.6-95.4161.2000112.4D1471 L1478 F1479D1471-L1475 PolarHBondContact O-N 2.93Å; D1471-L1475 VanDerWaalsContact O-N 3.1Å; L1475-L1478 WeakPolarHBondContact O-CB 3.32Å; L1475-L1478 PolarHBondContact O-N 3.14Å; L1475-F1479 HydrophobicContact CD2-CE2 4.4Å; L1475-F1479 WeakPolarHBondContact O-CD2 3.33Å; L1475-F1479 PolarHBondContact O-N 2.7Å
1476K38.7Very low35.4Very low151 Ų15193.1 Ų93.166%0.65753%0.528SS*.Hα-helixtrans-68.8-34.4179.4-155.2166.9-167.9170.50112.6A1472 I1473 Q1474 N1480A1472-K1476 VanDerWaalsContact O-CB 3.3Å; A1472-K1476 WeakPolarHBondContact O-CB 3.5Å; A1472-K1476 PolarHBondContact O-N 3.33Å; I1473-K1476 PolarHBondContact O-N 2.91Å; Q1474-K1476 VanDerWaalsContact C-N 3.32Å; Q1474-K1476 PolarHBondContact O-N 2.94Å; K1476-N1480 WeakPolarHBondContact O-CB 3.42Å; K1476-N1480 PolarHBondContact O-N 2.87Å; K1476-N1480 VanDerWaalsContact O-N 3.08Å; K1476-N1480 PolarHBondContact O-ND2 2.94Å
1477C39.2Very low35.4Very low61 Ų6192.1 Ų92.141%0.41251%0.512SS..Hα-helixtrans-66.9-42.8168.7-75.40000112I1473 Q1474 F1479 N1480 V1481I1473-C1477 PolarHBondContact O-N 3.34Å; Q1474-C1477 PolarHBondContact O-N 3.4Å; C1477-F1479 PolarHBondContact O-N 3.39Å; C1477-N1480 PolarHBondContact O-N 2.93Å; C1477-V1481 WeakPolarHBondContact O-CG2 3.48Å; C1477-V1481 PolarHBondContact O-N 2.73Å
1478L39.3Very low35.5Very low87 Ų8795.4 Ų95.446%0.45552%0.524SS..Hα-helixtrans-57.5-49176.5-159.390.1000111.1Q1474 L1475 V1481 L1482Q1474-L1478 PolarHBondContact O-N 3Å; L1475-L1478 WeakPolarHBondContact O-CB 3.32Å; L1475-L1478 PolarHBondContact O-N 3.14Å; L1478-V1481 PolarHBondContact O-N 2.67Å; L1478-L1482 HydrophobicContact CD2-CD1 4.19Å; L1478-L1482 HydrophobicContact CG-CD1 4.18Å; L1478-L1482 WeakPolarHBondContact O-CB 3.43Å; L1478-L1482 WeakPolarHBondContact O-CG 3.4Å; L1478-L1482 PolarHBondContact O-N 3.08Å
1479F43.1Very low35.4Very low139 Ų13995.2 Ų95.261%0.6152%0.517SS*.Hα-helixtrans-63.2-44176.8-93.7-82.2000113.1L1475 C1477 V1481 L1482 E1483L1475-F1479 HydrophobicContact CD2-CE2 4.4Å; L1475-F1479 WeakPolarHBondContact O-CD2 3.33Å; L1475-F1479 PolarHBondContact O-N 2.7Å; C1477-F1479 PolarHBondContact O-N 3.39Å; F1479-V1481 VanDerWaalsContact C-N 3.3Å; F1479-V1481 PolarHBondContact O-N 3.04Å; F1479-L1482 PolarHBondContact O-N 2.91Å; F1479-E1483 WeakPolarHBondContact O-CB 3.19Å; F1479-E1483 PolarHBondContact O-N 3.29Å
1480N41.3Very low35.3Very low89 Ų8998 Ų9848%0.47652%0.524SS..Hα-helixtrans-63.6-33.7177.1-81.2-27.3000112.9K1476 C1477 S1484K1476-N1480 WeakPolarHBondContact O-CB 3.42Å; K1476-N1480 PolarHBondContact O-N 2.87Å; K1476-N1480 VanDerWaalsContact O-N 3.08Å; K1476-N1480 PolarHBondContact O-ND2 2.94Å; C1477-N1480 PolarHBondContact O-N 2.93Å; N1480-S1484 WeakPolarHBondContact O-CB 3.19Å; N1480-S1484 PolarHBondContact O-N 3.42Å; N1480-S1484 PolarHBondContact O-OG 2.99Å
1481V38.5Very low35Very low93 Ų9397.5 Ų97.556%0.56452%0.517SS*.Hα-helixtrans-73.2-47.7174.3171.70000110.7C1477 L1478 F1479 E1483 S1484 C1485C1477-V1481 WeakPolarHBondContact O-CG2 3.48Å; C1477-V1481 PolarHBondContact O-N 2.73Å; L1478-V1481 PolarHBondContact O-N 2.67Å; F1479-V1481 VanDerWaalsContact C-N 3.3Å; F1479-V1481 PolarHBondContact O-N 3.04Å; V1481-E1483 PolarHBondContact O-N 2.77Å; V1481-S1484 CarbonylContact O-C 3.59Å; V1481-S1484 WeakPolarHBondContact O-CA 3.25Å; V1481-S1484 WeakPolarHBondContact O-CB 3.44Å; V1481-S1484 PolarHBondContact O-N 3.45Å; V1481-C1485 PolarHBondContact O-N 3.18Å; V1481-C1485 PolarHBondContact O-SG 3.45Å
1482L37.1Very low34.6Very low72 Ų7296.2 Ų96.238%0.37752%0.515SS..Hα-helixtrans-54.8-51.9176.1-79.3164.5000111.5L1478 F1479 S1484 C1485 S1486L1478-L1482 HydrophobicContact CD2-CD1 4.19Å; L1478-L1482 HydrophobicContact CG-CD1 4.18Å; L1478-L1482 WeakPolarHBondContact O-CB 3.43Å; L1478-L1482 WeakPolarHBondContact O-CG 3.4Å; L1478-L1482 PolarHBondContact O-N 3.08Å; F1479-L1482 PolarHBondContact O-N 2.91Å; L1482-S1484 PolarHBondContact O-N 3.17Å; L1482-C1485 CarbonylContact O-C 3.57Å; L1482-C1485 PolarHBondContact O-N 3.06Å; L1482-S1486 PolarHBondContact O-N 3.38Å; L1482-S1486 PolarHBondContact O-OG 3.35Å
1483E36.3Very low34.3Very low46 Ų46100.2 Ų100.222%0.21552%0.52CS..Hα-helixtrans-61-29.2178.5-161.8-163-149.300112.4R1083 F1479 V1481R1083-E1483 WeakPolarHBondContact CG-OE1 3.38Å; R1083-E1483 VanDerWaalsContact CZ-CD 3.49Å; R1083-E1483 IonicContact CZ-OE2 2.82Å; R1083-E1483 PolarHBondContact N-OE1 3.49Å; R1083-E1483 IonicContact NE-OE1 2.78Å; R1083-E1483 IonicContact NE-OE2 3.07Å; R1083-E1483 PolarHBondContact NE-OE2 3.25Å; R1083-E1483 PolarHBondContact NH1-O 2.74Å; R1083-E1483 IonicContact NH2-OE2 3.8Å; R1083-E1483 PolarHBondContact NH2-OE2 2.89Å; F1479-E1483 WeakPolarHBondContact O-CB 3.19Å; F1479-E1483 PolarHBondContact O-N 3.29Å; V1481-E1483 PolarHBondContact O-N 2.77Å
1484S35.2Very low33.7Very low58 Ų58103.2 Ų103.241%0.40653%0.531SS..Hα-helixtrans-76.6-32.8175.2-58.80000112.8R1083 N1480 V1481 L1482R1083-S1484 PolarHBondContact NH2-OG 3.49Å; R1083-S1484 VanDerWaalsContact NH2-OG 3.08Å; N1480-S1484 WeakPolarHBondContact O-CB 3.19Å; N1480-S1484 PolarHBondContact O-N 3.42Å; N1480-S1484 PolarHBondContact O-OG 2.99Å; V1481-S1484 CarbonylContact O-C 3.59Å; V1481-S1484 WeakPolarHBondContact O-CA 3.25Å; V1481-S1484 WeakPolarHBondContact O-CB 3.44Å; V1481-S1484 PolarHBondContact O-N 3.45Å; L1482-S1484 PolarHBondContact O-N 3.17Å
1485C31.8Very low33Very low63 Ų63105.3 Ų105.343%0.42654%0.544SS..Hα-helixtrans-74.5-33.9171.3-68.30000112.6V1481 L1482 L1487 L1488 F1489V1481-C1485 PolarHBondContact O-N 3.18Å; V1481-C1485 PolarHBondContact O-SG 3.45Å; L1482-C1485 CarbonylContact O-C 3.57Å; L1482-C1485 PolarHBondContact O-N 3.06Å; C1485-L1487 PolarHBondContact O-N 3.02Å; C1485-L1488 WeakPolarHBondContact O-CA 3.48Å; C1485-L1488 PolarHBondContact O-N 2.91Å; C1485-F1489 PolarHBondContact O-N 2.89Å; C1485-F1489 VanDerWaalsContact O-N 3.16Å
1486S30.4Very low31.9Very low70 Ų70105.9 Ų105.949%0.4956%0.555SS.*Hα-helixtrans-60.3-28.3176.7-570000113.5L1482 L1488L1482-S1486 PolarHBondContact O-N 3.38Å; L1482-S1486 PolarHBondContact O-OG 3.35Å; S1486-L1488 VanDerWaalsContact C-N 3.31Å
1487L28.5Very low31.2Very low105 Ų105104.5 Ų104.555%0.5556%0.563SS.*Hα-helixtrans-81.2-4.1172.5-73.2-168.6000114.6R1083 C1485R1083-L1487 VanDerWaalsContact NH1-CD1 3.27Å; C1485-L1487 PolarHBondContact O-N 3.02Å
1488L28.2Very low30.5Very low138 Ų138110.4 Ų110.472%0.72359%0.585SS**Hα-helixtrans-109-15.2176.2-77.4164.8000113.6C1485 S1486C1485-L1488 WeakPolarHBondContact O-CA 3.48Å; C1485-L1488 PolarHBondContact O-N 2.91Å; S1486-L1488 VanDerWaalsContact C-N 3.31Å
1489F25.9Very low29.7Very low154 Ų154110.9 Ų110.968%0.67560%0.595SS**Hα-helixtrans-107.2-2.2-177.3-96.4-85.6000115.8C1485 K1491C1485-F1489 PolarHBondContact O-N 2.89Å; C1485-F1489 VanDerWaalsContact O-N 3.16Å; F1489-K1491 PolarHBondContact O-N 2.89Å
1490L26.4Very low28.8Very low153 Ų153109.6 Ų109.680%0.80160%0.604SS**SBendtrans-7629.8-173.6-130.1178.1000114.9
1491K24.3Very low27.9Very low99 Ų99111 Ų11143%0.4361%0.607SS.*SBendtrans-163.870.2179.3-161.9169.7179.2165.70109.3F1489 S1867 I1868 F1869F1489-K1491 PolarHBondContact O-N 2.89Å; K1491-S1867 VanDerWaalsContact CE-O 3.24Å; K1491-S1867 WeakPolarHBondContact CE-O 3.42Å; K1491-S1867 WeakPolarHBondContact CE-OG 3.47Å; K1491-S1867 PolarHBondContact NZ-OG 3.48Å; K1491-I1868 HydrophobicContact CG-CG1 4.24Å; K1491-F1869 HydrophobicContact CB-CD2 4.06Å; K1491-F1869 HydrophobicContact CB-CE2 3.73Å; K1491-F1869 HydrophobicContact CB-CZ 4.38Å; K1491-F1869 HydrophobicContact CD-CD2 4.23Å; K1491-F1869 HydrophobicContact CD-CE2 3.96Å; K1491-F1869 HydrophobicContact CG-CD2 3.74Å; K1491-F1869 HydrophobicContact CG-CE2 3.74Å; K1491-F1869 WeakPolarHBondContact O-CD1 3.5Å; K1491-F1869 WeakPolarHBondContact O-CD2 3.35Å; K1491-F1869 WeakPolarHBondContact O-CE1 3.41Å; K1491-F1869 WeakPolarHBondContact O-CE2 3.43Å; K1491-F1869 WeakPolarHBondContact O-CG 3.35Å; K1491-F1869 WeakPolarHBondContact O-CZ 3.25Å
1492S25.2Very low27.3Very low60 Ų60110.9 Ų110.942%0.4261%0.608SS.*SBendtrans-168115.6163.3-1680000110.7
1493K27.2Very low26.8Very low150 Ų150112.4 Ų112.465%0.65262%0.62SS**  trans28.5124.7166.8-69-169.7175.3-174.70120.4I1868K1493-I1868 HydrophobicContact CB-CG2 4.48Å; K1493-I1868 HydrophobicContact CG-CG2 3.75Å
1494H25.3Very low26.1Very low186 Ų186113 Ų11386%0.86163%0.629SS**  trans-60.1135.6139.7-104.1-107.6000110.1
1495I25.3Very low25.6Very low152 Ų152116.1 Ų116.178%0.77965%0.646SS**  trans168.1130.1142.8-89153.4000106.5
1496S23.3Very low25.4Very low97 Ų97119.8 Ų119.868%0.67866%0.656SS**  cis-159.6138.6-23.8-82.70000106.3
1497C22.8Very low25.2Very low122 Ų122122.2 Ų122.282%0.82466%0.663SS**  trans-129.8124.8163.7-76.20000109.1
1498E25.1Very low25Very low186 Ų186122.5 Ų122.587%0.86967%0.669SS**  trans42.490.3154.6-73.8150.2176.100118.2
1499S22.5Very low24.9Very low97 Ų97122.8 Ų122.868%0.67868%0.677SS**PPolyproline II helixtrans-46.2127.7143.148.10000113.1
1500S24.1Very low24.9Very low112 Ų112120.4 Ų120.478%0.78368%0.68SS**PPolyproline II helixtrans-84.3120.2140.456.90000108.3
1501H23.8Very low24.9Very low118 Ų118120.3 Ų120.355%0.54668%0.678SS.*PPolyproline II helixtrans-59.3153.6166.6-77.9-89.5000110.3V1503H1501-V1503 VanDerWaalsContact ND1-CG2 3.34Å; H1501-V1503 WeakPolarHBondContact ND1-CG2 3.45Å
1502P25.8Very low25.1Very low91 Ų91118.8 Ų118.859%0.59168%0.681SS**PPolyproline II helix-99.4163.963.431.9-35.9000115.1Y518Y518-P1502 WeakPolarHBondContact OH-CG 3.28Å
1503V24.7Very low25.2Very low104 Ų104119.1 Ų119.163%0.6368%0.678SS**  trans-120.2135.1163.4144.40000107.2H1501H1501-V1503 VanDerWaalsContact ND1-CG2 3.34Å; H1501-V1503 WeakPolarHBondContact ND1-CG2 3.45Å
1504C22.5Very low25.3Very low58 Ų58116.6 Ų116.639%0.39267%0.671SS.*  trans-129122.1177.3-46.40000106.9D520D520-C1504 VanDerWaalsContact CG-SG 3.52Å; D520-C1504 WeakPolarHBondContact OD1-CB 3.49Å; D520-C1504 PolarHBondContact OD1-SG 3.22Å; D520-C1504 PolarHBondContact OD2-SG 3.11Å
1505T25.5Very low25.5Very low124 Ų124111.2 Ų111.276%0.76165%0.651SS**  trans-155111.9175.243.30000109.4
1506E25.8Very low25.6Very low139 Ų139109.4 Ų109.465%0.6565%0.652SS**  trans-105.7162.6169.1-67.2-154.1139.800109.1
1507L26.8Very low26Very low122 Ų122109.5 Ų109.564%0.63965%0.653SS**  cis-151.1153.8-4.8-151.274.4000111.5
1508T24.1Very low26.4Very low110 Ų110110.5 Ų110.568%0.67565%0.65SS**  trans50.2130.3149.1440000123.3
1509T26.8Very low26.5Very low145 Ų145109.4 Ų109.489%0.8965%0.649SS**  -135.2138.4106.649.10000110.9
1510S25.4Very low26.7Very low104 Ų104109.3 Ų109.373%0.72765%0.654SS**  trans-76.4171.7178.650.10000113.1
1511I26.8Very low27.1Very low150 Ų150115.1 Ų115.177%0.76966%0.658SS**  cis-158.2144.841.7-63168.5000111.8
1512S27.4Very low27.4Very low68 Ų68114.5 Ų114.548%0.47667%0.665SS.*  trans-160.7148.8146.565.30000113.3N1705S1512-N1705 WeakPolarHBondContact CB-OD1 3.42Å; S1512-N1705 PolarHBondContact O-OD1 3.14Å; S1512-N1705 PolarHBondContact OG-ND2 3.46Å; S1512-N1705 PolarHBondContact OG-OD1 3.48Å
1513N29.2Very low27.3Very low67 Ų67116.9 Ų116.936%0.35867%0.673SS.*  trans-124.1-178.6177.3-59-4.4000112.6F1703 T1704N1513-F1703 PolarHBondContact ND2-N 3.42Å; N1513-F1703 PolarHBondContact OD1-N 3.09Å; N1513-T1704 PolarHBondContact OD1-N 3.45Å
1514D28.4Very low27.2Very low97 Ų97120.3 Ų120.352%0.51969%0.686SS.*  cis-142.3166.33.8-65.7-79000107.8T1704 N1705 I1706D1514-T1704 VanDerWaalsContact C-C 3.47Å; D1514-T1704 CarbonylContact C-O 3.54Å; D1514-T1704 VanDerWaalsContact CA-C 3.45Å; D1514-N1705 CarbonylContact O-C 3.33Å; D1514-N1705 VanDerWaalsContact O-C 3.27Å; D1514-I1706 PolarHBondContact O-N 3.07Å
1515T29.8Very low27.2Very low72 Ų72122 Ų12244%0.44270%0.699SS.*  cis-171.7154.9-1834.70000110F1703 T1704T1515-F1703 WeakPolarHBondContact CG2-O 3.3Å; T1515-T1704 WeakPolarHBondContact CA-O 3.43Å; T1515-T1704 PolarHBondContact N-O 3.36Å
1516S27.2Very low27.8Very low115 Ų115122.5 Ų122.580%0.80470%0.702SS**  trans74.1158.2155.489.20000119.6
1517S31.3Very low27.9Very low98 Ų98123.4 Ų123.469%0.68571%0.71SS**  cis-156.3152.1-2.651.40000115.2
1518N30.6Very low28Very low144 Ų144124.5 Ų124.577%0.7772%0.715SS**  trans44.6117142.8-56.3-11.4000125.1
1519I27.9Very low28.1Very low163 Ų163130.1 Ų130.184%0.83672%0.724SS**  18.5130.8108.9-61.8166.9000116.2
1520A26.5Very low28Very low95 Ų95130 Ų13079%0.78571%0.714SS**  cis-146.9178.922.600000115.3
1521R32.2Very low28.3Very low233 Ų233131.4 Ų131.488%0.87971%0.709SS**  trans-58.9165.1162.1-72.4179175.7172-4.3112.2
1522P30.8Very low28.4Very low106 Ų106128.7 Ų128.769%0.68870%0.699SS**  cis-141.5166.322.942.4-23.5000119.3
1523D23.3Very low28.4Very low140 Ų140132.5 Ų132.575%0.74971%0.713SS**  trans57.2142.4138-56.3-7000125.6
1524L23Very low28.3Very low176 Ų176137.1 Ų137.192%0.92173%0.732SS**  trans70.3148.8160.5-100.466.4000120
1525S23.6Very low28.2Very low94 Ų94136.9 Ų136.966%0.65774%0.738SS**  trans-98.2147.9-159.353.90000114.6
1526T37.7Very low28Very low134 Ų134140.4 Ų140.482%0.82275%0.753SS**  trans60.7125.1152.653.30000118.8
1527I27.1Very low27.9Very low158 Ų158141.7 Ų141.781%0.8175%0.75SS**  trans-111128.1171.7-68.5176.6000109.2
1528L28.3Very low27.7Very low145 Ų145143.7 Ų143.776%0.75975%0.753SS**  trans65.2118176.2-63.9165.3000114.1
1529R26.2Very low27.4Very low228 Ų228143.1 Ų143.186%0.8675%0.75SS**  cis55.4128.747.2-63.7-173.5167.8166.4-3.3111.9
1530Q26.6Very low27.2Very low143 Ų143142.6 Ų142.667%0.66875%0.749SS**  -122.6153.654.4-118.139.617.400111.1
1531E30.1Very low27.1Very low134 Ų134143.1 Ų143.163%0.62675%0.746SS**  cis-171.6172.5-3.2-131.8-170.1-113.400107.7
1532T28.5Very low26.8Very low93 Ų93136.7 Ų136.757%0.57174%0.744SS**  cis-154.7169.4-1.4-22.70000108.5
1533I29.1Very low26.7Very low147 Ų147135.5 Ų135.575%0.75474%0.743SS**  trans66.1144.8149-79152.8000120.3
1534E25.4Very low26.7Very low164 Ų164136.2 Ų136.277%0.76674%0.739SS**  cis-166.8164.2-36.3-148.2158.2-136.300111.5
1535S27.6Very low26.8Very low92 Ų92134.9 Ų134.964%0.64373%0.728SS**  trans67.4126.9148.860.90000124.7
1536L24.9Very low26.9Very low146 Ų146135.3 Ų135.376%0.76473%0.73SS**  trans48.8130.6135.4-75.685.3000120.6
1537I25.9Very low26.2Very low143 Ų143134.3 Ų134.373%0.73372%0.723SS**  58.3106.168.4-56.4170.4000112.8
1538D26.1Very low26.1Very low140 Ų140133.1 Ų133.175%0.74972%0.719SS**  -169.5179.2110.2-130.9-48000113.7
1539N25Very low25.8Very low132 Ų132131.6 Ų131.671%0.70672%0.719SS**  trans-78.8170.2-169.1-69.2-88.1000116.6
1540D24.3Very low25.9Very low152 Ų152127.2 Ų127.281%0.81372%0.717SS**  trans51.2123.4148.1-84.6-35.3000119.3
1541S23.5Very low25.8Very low105 Ų105128.9 Ų128.973%0.73473%0.725SS**  168.8161.56943.10000111.1
1542A26.3Very low25.9Very low99 Ų99127.8 Ų127.882%0.81873%0.729SS**  trans62.4148.715800000118.9
1543A27.4Very low25.7Very low81 Ų81127.7 Ų127.767%0.66973%0.733SS**  cis-163.6169.2-22.300000109.2
1544K24.6Very low25.5Very low154 Ų154126.5 Ų126.567%0.6773%0.728SS**  trans43.5137.3139.3-84.1163.8140.6-80.40121.1
1545E23.7Very low25.4Very low149 Ų149124.8 Ų124.870%0.69672%0.724SS**  trans71.7153.3140.9-71.6156.2175.300115.8
1546C26Very low25.4Very low103 Ų103125.3 Ų125.370%0.69672%0.723SS**  cis-145.4134.1-1.9-118.90000107.5
1547V24.2Very low25.4Very low112 Ų112123.5 Ų123.568%0.67972%0.718SS**  73.2135.884.2169.60000114.6
1548N24.6Very low25.6Very low134 Ų134123.4 Ų123.472%0.71772%0.719SS**  trans72.8122.4168.9-73.4-20.8000116.7
1549C21.8Very low25.4Very low113 Ų113122.8 Ų122.876%0.76472%0.716SS**  87.5176.659.8-710000112.1
1550V27.4Very low25.5Very low135 Ų135122 Ų12282%0.81872%0.716SS**  trans83.388.5172.3-168.80000115.7
1551Q24.9Very low25.6Very low179 Ų179118.9 Ų118.984%0.83671%0.712SS**  trans-62.3163.3135-84-166.9-8.900110.3
1552P32.7Very low25.6Very low111 Ų111120.8 Ų120.872%0.72172%0.718SS**  cis-119.6-136.310.435.4-13.2000110.4
1553S24.9Very low25.5Very low91 Ų91120.1 Ų120.164%0.63671%0.708SS**  cis-166147.634.6600000113.1
1554D24.2Very low25.4Very low122 Ų122123 Ų12365%0.65271%0.712SS**  trans59.4112.1131-67.629000119.1
1555N24.1Very low25.6Very low128 Ų128123.7 Ų123.768%0.68472%0.717SS**  93148.696.2-72.9-26.6000112.4
1556T27Very low25.6Very low103 Ų103123.5 Ų123.563%0.63272%0.72SS**  cis-164156.4-0.214.70000110.8
1557T25.1Very low25.8Very low108 Ų108125.7 Ų125.766%0.66373%0.725SS**  trans63143.6142.156.10000123
1558N29.1Very low25.9Very low141 Ų141128.1 Ų128.175%0.75473%0.727SS**  trans74148.1141-6913.1000119.7
1559D23.5Very low26.1Very low127 Ų127123.4 Ų123.468%0.67971%0.71SS**  cis-165.3171.8-29.9-145-27.7000109.9
1560T27Very low26.5Very low115 Ų115126.6 Ų126.671%0.70671%0.713SS**  trans54.8108155.449.80000121.6
1561A25.1Very low26.6Very low87 Ų87125.8 Ų125.872%0.71971%0.714SS**  73.6137.7111.900000123.6
1562V24.5Very low26.8Very low144 Ų144121 Ų12187%0.87369%0.693SS**  trans68.8133.7138.3162.60000118
1563S23.7Very low26.5Very low85 Ų85120.1 Ų120.159%0.59468%0.68SS**  cis-163.5168.5-16.1-165.20000108.8
1564D25Very low26.7Very low141 Ų141125.3 Ų125.375%0.75469%0.687SS**  trans66.8161.7165.8-44.3-22000114.5
1565Q28.8Very low26.8Very low169 Ų169126.2 Ų126.279%0.7969%0.691SS**  cis-141.2-179.53.8-155.4162.81.800110.7
1566L24.8Very low27Very low145 Ų145125.9 Ų125.976%0.75969%0.687SS**  trans-52.1151.5175-60.475.2000111.1
1567D29.7Very low27Very low149 Ų149126.8 Ų126.880%0.79768%0.684SS**  -134.5129.178.3-150.8-21000115.2G1569D1567-G1569 VanDerWaalsContact C-N 3.34Å; D1567-G1569 WeakPolarHBondContact OD1-CA 3.35Å; D1567-G1569 PolarHBondContact OD1-N 3.5Å
1568F26.5Very low27.1Very low164 Ų164127.2 Ų127.272%0.71969%0.686SS**  trans-99.621.1174-164-104.1000110.9L1572F1568-L1572 HydrophobicContact CD1-CD2 4.31Å; F1568-L1572 HydrophobicContact CE1-CD1 4.46Å; F1568-L1572 HydrophobicContact CE1-CD2 4.19Å
1569G27.7Very low26.8Very low34 Ų34127.2 Ų127.235%0.35169%0.686SS.*  trans-88.6-15.9-161.600000118.2D1567D1567-G1569 VanDerWaalsContact C-N 3.34Å; D1567-G1569 WeakPolarHBondContact OD1-CA 3.35Å; D1567-G1569 PolarHBondContact OD1-N 3.5Å
1570Q30.7Very low26.9Very low180 Ų180130 Ų13084%0.84170%0.695SS**SBendtrans-115.9-11.3-169.6-80.9169.8-3.700116.5
1571S29.9Very low26.9Very low119 Ų119133.3 Ų133.383%0.83271%0.707SS**SBendtrans-100.6-7.1169.8-520000113.6
1572L28.5Very low26.9Very low77 Ų77135.9 Ų135.940%0.40371%0.709SS.*SBendtrans-91.7-29.3172.2-164.567.2000112.1F1568 Y1574 L1575 M1576F1568-L1572 HydrophobicContact CD1-CD2 4.31Å; F1568-L1572 HydrophobicContact CE1-CD1 4.46Å; F1568-L1572 HydrophobicContact CE1-CD2 4.19Å; L1572-Y1574 PolarHBondContact O-N 2.98Å; L1572-L1575 PolarHBondContact O-N 3.32Å; L1572-M1576 HydrophobicContact CD1-SD 4.49Å; L1572-M1576 HydrophobicContact CD2-SD 3.86Å; L1572-M1576 HydrophobicContact CG-CG 4.33Å; L1572-M1576 HydrophobicContact CG-SD 3.77Å; L1572-M1576 PolarHBondContact O-N 3.11Å; L1572-M1576 VanDerWaalsContact O-N 3.08Å
1573Q27.7Very low27.1Very low94 Ų94135.1 Ų135.144%0.43970%0.7SS.*Hα-helixtrans-57.3-52.4-179-169.666.612.200112L1575 M1576 E1577Q1573-L1575 PolarHBondContact O-N 3.41Å; Q1573-M1576 PolarHBondContact O-N 2.95Å; Q1573-E1577 HydrophobicContact CG-CG 4.15Å; Q1573-E1577 VanDerWaalsContact NE2-CD 3.31Å; Q1573-E1577 PolarHBondContact NE2-OE1 3.19Å; Q1573-E1577 WeakPolarHBondContact O-CG 3.44Å; Q1573-E1577 PolarHBondContact O-N 2.99Å
1574Y29.1Very low27.2Very low199 Ų199139.3 Ų139.378%0.7872%0.716SS**Hα-helixtrans-68.5-8.2-177.1-130.3-98.8000114.9L1572L1572-Y1574 PolarHBondContact O-N 2.98Å
1575L26.5Very low27.3Very low142 Ų142138.4 Ų138.474%0.74371%0.709SS**Hα-helixtrans-106.5-14.7173.3-15478.3000112.8L1572 Q1573L1572-L1575 PolarHBondContact O-N 3.32Å; Q1573-L1575 PolarHBondContact O-N 3.41Å
1576M26.9Very low27.2Very low120 Ų120135.4 Ų135.459%0.59171%0.707SS**Hα-helixtrans-94.5-28.2172.9-76.1-177.95300112.7L1572 Q1573 T1578 L1579L1572-M1576 HydrophobicContact CD1-SD 4.49Å; L1572-M1576 HydrophobicContact CD2-SD 3.86Å; L1572-M1576 HydrophobicContact CG-CG 4.33Å; L1572-M1576 HydrophobicContact CG-SD 3.77Å; L1572-M1576 PolarHBondContact O-N 3.11Å; L1572-M1576 VanDerWaalsContact O-N 3.08Å; Q1573-M1576 PolarHBondContact O-N 2.95Å; M1576-T1578 PolarHBondContact O-N 3.23Å; M1576-T1578 VanDerWaalsContact O-N 3.15Å; M1576-L1579 PolarHBondContact O-N 3.4Å
1577E26.5Very low27.3Very low123 Ų123134.4 Ų134.458%0.57570%0.701SS**THydrogen-bonded Turntrans-67.2-12.9-179.3-77.6178.9150.200114.7Q1573Q1573-E1577 HydrophobicContact CG-CG 4.15Å; Q1573-E1577 VanDerWaalsContact NE2-CD 3.31Å; Q1573-E1577 PolarHBondContact NE2-OE1 3.19Å; Q1573-E1577 WeakPolarHBondContact O-CG 3.44Å; Q1573-E1577 PolarHBondContact O-N 2.99Å
1578T28.3Very low27Very low116 Ų116134.2 Ų134.271%0.71270%0.7SS**THydrogen-bonded Turntrans-94.20176.5-18.10000114.4M1576M1576-T1578 PolarHBondContact O-N 3.23Å; M1576-T1578 VanDerWaalsContact O-N 3.15Å
1579L23Very low27.3Very low142 Ų142131.3 Ų131.374%0.74370%0.698SS**SBendtrans-134.6102.2176-76.8176.4000112.7M1576M1576-L1579 PolarHBondContact O-N 3.4Å
1580Q25.3Very low27.2Very low186 Ų186135.6 Ų135.687%0.86972%0.717SS**  trans7481.4166.9-54.8-171.3-4.900117.9
1581L26.1Very low26.9Very low184 Ų184132.1 Ų132.196%0.96371%0.708SS**  -117.5119.4123.4-94.6174.1000109.1
1582N26.5Very low26.5Very low141 Ų141132.9 Ų132.975%0.75471%0.708SS**  trans-142.4119.1171.2-164.521.4000108.3
1583N26.9Very low26.4Very low128 Ų128132.6 Ų132.668%0.68471%0.709SS**  trans158.4124.1146.3-83.4-24.8000110.8I1585N1583-I1585 HydrophobicContact CB-CG1 4.29Å
1584N27.1Very low26.1Very low173 Ų173131.3 Ų131.393%0.92571%0.71SS**  trans-134.8138.6133.5-131.7-19.6000108.2
1585I26.3Very low26Very low121 Ų121126.6 Ų126.662%0.62170%0.698SS**  trans-105.8142.3-144.9-71.4163.7000113.5N1583 I1587N1583-I1585 HydrophobicContact CB-CG1 4.29Å; I1585-I1587 HydrophobicContact CG2-CD1 4.22Å; I1585-I1587 HydrophobicContact CG2-CG1 3.94Å
1586S26.1Very low25.8Very low107 Ų107124.8 Ų124.875%0.74870%0.697SS**  trans-157.4106.2147-156.80000107.9
1587I27.6Very low25.7Very low124 Ų124125.3 Ų125.364%0.63671%0.707SS**  65.9118.879.2-63.5163.8000110.7I1585I1585-I1587 HydrophobicContact CG2-CD1 4.22Å; I1585-I1587 HydrophobicContact CG2-CG1 3.94Å
1588N24.6Very low25.5Very low144 Ų144122.8 Ų122.877%0.7770%0.703SS**  cis-154.3176.90.1-116.21.3000111.2
1589P31.2Very low25.2Very low103 Ų103122.5 Ų122.567%0.66970%0.701SS**  trans-131.3-153-143.833.6-9.2000115.6
1590V26.1Very low25.2Very low125 Ų125120.7 Ų120.776%0.75870%0.7SS**  trans85.7134.2162.9179.40000116.8
1591T24Very low25.5Very low107 Ų107117.6 Ų117.666%0.65670%0.697SS**  cis-166162.1-26.936.60000109.2
1592T22.5Very low25.3Very low134 Ų134116.6 Ų116.682%0.82269%0.691SS**  trans62.4160.2161.848.20000117
1593V25.9Very low25.2Very low71 Ų71114.8 Ų114.843%0.4369%0.69SS.*  cis-130.3160.45.9-176.70000110.4K2139V1593-K2139 HydrophobicContact CB-CB 3.85Å; V1593-K2139 HydrophobicContact CB-CD 4.26Å; V1593-K2139 HydrophobicContact CG1-CB 3.64Å; V1593-K2139 PolarHBondContact O-NZ 3.37Å; V1593-K2139 VanDerWaalsContact O-NZ 3.14Å
1594S21Very low25.2Very low67 Ų67114.2 Ų114.247%0.46970%0.696SS.*  trans-34.2155169.2-43.40000117.6K2139 E2140S1594-K2139 WeakPolarHBondContact O-CD 3.22Å; S1594-K2139 WeakPolarHBondContact O-CG 3.4Å; S1594-K2139 PolarHBondContact O-NZ 2.71Å; S1594-E2140 WeakPolarHBondContact CB-OE2 3.36Å; S1594-E2140 PolarHBondContact OG-OE2 3.18Å
1595I28.4Very low25.1Very low101 Ų101114.1 Ų114.152%0.51869%0.69SS.*  trans-153.5140.8131.7-113172.3000109.7T1597 K2139 E2140I1595-T1597 HydrophobicContact CG2-CG2 4.08Å; I1595-K2139 HydrophobicContact CD1-CG 3.81Å; I1595-K2139 HydrophobicContact CG1-CG 4.06Å; I1595-E2140 VanDerWaalsContact CA-OE1 3.29Å; I1595-E2140 WeakPolarHBondContact CA-OE1 3.33Å
1596S20.9Very low25Very low104 Ų104114 Ų11473%0.72769%0.694SS**  trans-95112.1166-57.60000111.2E2140S1596-E2140 PolarHBondContact N-OE1 2.75Å
1597T26.2Very low24.9Very low130 Ų130116 Ų11680%0.79870%0.696SS**  trans-135.1124.2165.940.90000113.1I1595I1595-T1597 HydrophobicContact CG2-CG2 4.08Å
1598S20.7Very low25Very low70 Ų70114.5 Ų114.549%0.4969%0.694SS.*  trans-100-178.3157.756.50000110
1599T22.5Very low24.9Very low111 Ų111114.3 Ų114.368%0.68169%0.692SS**  trans68.2125.5155.7500000119.4
1600S24.1Very low24.6Very low103 Ų103115.6 Ų115.672%0.7269%0.692SS**  -11.5169.1119.343.70000117.6
1601P30.5Very low24.5Very low122 Ų122112.7 Ų112.779%0.79267%0.674SS**  cis-144.9-162.427.644.6-23.8000116.1
1602L22.8Very low24.6Very low163 Ų163111.7 Ų111.785%0.85367%0.671SS**  trans-80.6148.1165.9-158.579.3000111.2
1603S24.2Very low24.7Very low102 Ų102109.6 Ų109.671%0.71366%0.663SS**  trans58.3112158.3-147.20000119.6
1604S26.2Very low24.7Very low117 Ų117114.9 Ų114.982%0.81868%0.682SS**  trans-80.3166.4139.450.80000110.4
1605Q25.6Very low25.1Very low171 Ų171116.5 Ų116.580%0.79969%0.694SS**  trans-118153.9-179.5-90.5-168.86.800111.2
1606V24.6Very low25.1Very low118 Ų118119 Ų11972%0.71571%0.707SS**  trans62.8128.9146.1170.90000116.3
1607L23.4Very low25.4Very low149 Ų149121.1 Ų121.178%0.7871%0.709SS**  cis-171.6-171.2-5.3-131.869.9000105
1608P30.5Very low25.6Very low92 Ų92121.2 Ų121.260%0.59771%0.71SS**  cis-130.5-176.7-34.539.5-22.9000113.9
1609I22.7Very low26Very low140 Ų140126.1 Ų126.172%0.71873%0.725SS**  trans56.4114.5140.2-74.3161.8000119
1610I23.2Very low26.2Very low131 Ų131126.6 Ų126.667%0.67273%0.728SS**  68.6112.569.7-64.3168.1000111.6
1611T24.5Very low26.3Very low63 Ų63129.9 Ų129.939%0.38773%0.732SS.*  cis167157.6-919.80000106.9K1828 S1829 D1830T1611-K1828 HydrophobicContact CG2-CD 4.09Å; T1611-K1828 HydrophobicContact CG2-CG 3.87Å; T1611-S1829 CarbonylContact C-O 3.54Å; T1611-S1829 WeakPolarHBondContact CA-O 3.4Å; T1611-D1830 CarbonylContact C-O 3.44Å; T1611-D1830 WeakPolarHBondContact CA-O 3.48Å; T1611-D1830 PolarHBondContact N-O 2.86Å
1612S25.6Very low26.2Very low86 Ų86129.9 Ų129.960%0.60173%0.729SS**  trans88.5147.4162.5860000115.6S1829 D1830S1612-S1829 PolarHBondContact N-O 3.04Å; S1612-D1830 WeakPolarHBondContact O-CB 3.47Å
1613S25.2Very low26.4Very low91 Ų91129.4 Ų129.464%0.63673%0.726SS**  cis-160.215110.555.90000113
1614E25.1Very low27.1Very low181 Ų181129.2 Ų129.285%0.84672%0.722SS**  trans-119.9153.5159.9-69.7-164.513500111.4
1615S29.8Very low27.1Very low102 Ų102129.8 Ų129.871%0.71372%0.721SS**  trans-165173.1-17863.80000113.6
1616I30Very low27.2Very low153 Ų153128.4 Ų128.479%0.78572%0.718SS**  trans78.1121.4175-55.5169.9000113.2
1617L27.2Very low27.2Very low148 Ų148128.5 Ų128.578%0.77572%0.715SS**  cis-161.9151.9-7.7-14465.3000105.6
1618T30.1Very low27.4Very low133 Ų133128.7 Ų128.782%0.81671%0.713SS**  -166.4-163.764.747.60000111.5
1619Q27.6Very low27.3Very low173 Ų173128.3 Ų128.381%0.80872%0.718SS**  trans-109.2164.7-154.3-60.4171.9-48.800117.2
1620T27.7Very low27.7Very low120 Ų120128.3 Ų128.374%0.73673%0.725SS**  trans81.1125.6144.135.10000123.8
1621E25.4Very low28Very low173 Ų173126.5 Ų126.581%0.80872%0.724SS**  trans72.9120.3141.8-66.1-164.6130.600124.7
1622V29.1Very low28.2Very low121 Ų121130.5 Ų130.573%0.73374%0.742SS**  66.7100.2129.7-176.80000120.8
1623I27.6Very low28.4Very low154 Ų154132.5 Ų132.579%0.7975%0.75SS**  21.9137.4120.5-73.1172.3000118.4
1624P37.7Very low28.4Very low98 Ų98133.7 Ų133.764%0.63675%0.754SS**  cis-144-163.2-17.941.2-20.1000114.9
1625T25.7Very low29Very low128 Ų128130.3 Ų130.379%0.78575%0.748SS**  trans65160.1157.1520000119.9
1626L27.6Very low28.9Very low142 Ų142131.2 Ų131.274%0.74374%0.744SS**  cis-173.9168.9-41.1-163.465.3000106.3
1627D25.5Very low28.9Very low120 Ų120130.9 Ų130.964%0.64274%0.744SS**  trans69.5151.1164.2-63.6-28.1000117.9
1628M27.8Very low28.7Very low153 Ų153131.2 Ų131.275%0.75474%0.744SS**  cis-152.5133.8-14.5-111.6-177.1-105.300106.4
1629A28Very low28.6Very low84 Ų84133 Ų13369%0.69474%0.74SS**  79.7129.170.500000116.2
1630T31.1Very low28.7Very low141 Ų141130.3 Ų130.387%0.86574%0.736SS**  trans-177.1144159.112.10000108.1
1631S29.3Very low28.7Very low93 Ų93135 Ų13565%0.6575%0.746SS**  cis-159.8165.7-1.6-150.60000112.1
1632I29.6Very low28.7Very low147 Ų147130 Ų13075%0.75474%0.741SS**  trans71123.4159.9-63.4159.3000116.8
1633T29.2Very low28.8Very low127 Ų127129.5 Ų129.578%0.77974%0.743SS**  cis-157.3152.5-9.417.40000111.4
1634T25.8Very low28.9Very low116 Ų116129.2 Ų129.271%0.71274%0.743SS**  trans-101.1-179.1166.855.10000111.8
1635P37.1Very low28.5Very low111 Ų111132 Ų13272%0.72175%0.751SS**  -148.3132.2100.736.2-18000115.3
1636N28.6Very low28.7Very low120 Ų120134 Ų13464%0.64275%0.752SS**  86.6148.588.8-62.5-6.3000114.6
1637N29.4Very low28.8Very low146 Ų146132 Ų13278%0.78175%0.75SS**  cis-161.6176.4-4.9-111.1-6000112.9
1638M21.9Very low28.9Very low155 Ų155137.7 Ų137.776%0.76476%0.762SS**  trans-124.3174.3175.8-71.9173.563.700113.8
1639F28.3Very low29.1Very low171 Ų171136.4 Ų136.475%0.7576%0.763SS**  trans99.387.5155.4-71.5-73.7000123.3
1640T29.9Very low29.1Very low117 Ų117137.5 Ų137.572%0.71877%0.766SS**  51.8117.9122.760.40000124.3
1641K27.1Very low29.5Very low219 Ų219136.1 Ų136.195%0.95276%0.759SS**  173.9141.5115.5-101.6-177.5177.1-179.10113.1
1642G27.3Very low29.3Very low68 Ų68138.6 Ų138.670%0.70176%0.764SS**  trans134.3102.4153.900000119.8
1643S30.4Very low29.2Very low109 Ų109136.4 Ų136.476%0.76276%0.76SS**  trans52126.2143.549.20000124.7
1644D29.2Very low29Very low149 Ų149137.9 Ų137.980%0.79776%0.759SS**  trans90.1126.8138.9-54.9-11.5000123.9
1645L29.8Very low29Very low155 Ų155137.7 Ų137.781%0.81276%0.757SS**  trans49.7133.2158.1-92.254.9000121.6
1646E28.9Very low28.4Very low172 Ų172139.7 Ų139.780%0.80476%0.761SS**  cis-164.6167.1-26.7-135.9-167.8153.300112.5
1647S29.7Very low28.2Very low100 Ų100138.7 Ų138.770%0.69976%0.759SS**  trans84.1105.3160.576.80000121.8
1648R29Very low28.1Very low238 Ų238138 Ų13890%0.89876%0.756SS**  trans62.9139142.3-59.6-174.4172.4-170.5-3.6120
1649T31.2Very low28.3Very low127 Ų127137.9 Ų137.978%0.77976%0.757SS**  cis-172.5158.8-10.821.20000106.7
1650S29Very low28.1Very low106 Ų106135.1 Ų135.174%0.74175%0.754SS**  cis-163.8158.4-841.90000109.9
1651P38.3Very low27.9Very low113 Ų113135 Ų13573%0.73476%0.759SS**  trans-132.4-156.2-155.729.2-3.6000114.7
1652I25.6Very low27.9Very low144 Ų144129.5 Ų129.574%0.73875%0.748SS**  trans103.1139.2148.4-67.9160.7000119.4
1653C27.2Very low27.8Very low101 Ų101133.2 Ų133.268%0.68275%0.75SS**  trans65.7162161.5-77.60000119.9
1654E24.5Very low27.5Very low159 Ų159135.8 Ų135.874%0.74375%0.752SS**  cis178.5169.2-41.1-115.7-175.1155.400109.1
1655V26.4Very low27.4Very low111 Ų111133.6 Ų133.667%0.67375%0.748SS**  trans43.9100.1139.5179.40000118.6
1656L25.1Very low27.4Very low153 Ų153131.9 Ų131.980%0.80175%0.745SS**  76.5140.3119.3-148108.1000120.5
1657T24.5Very low27.4Very low99 Ų99129.9 Ų129.961%0.60774%0.74SS**  trans-30.8146.9161.560.30000114.6
1658N25.9Very low27.4Very low133 Ų133129.9 Ų129.971%0.71174%0.736SS**  -177167.770.3-119-34.9000115.8
1659L26.8Very low27.4Very low151 Ų151125.2 Ų125.279%0.79173%0.728SS**  trans64.6130.4145.5-73.9163.8000123
1660T24.8Very low27.2Very low114 Ų114126.7 Ų126.770%0.69973%0.731SS**  trans-69151.6162.147.30000114.5
1661S25.7Very low27.3Very low115 Ų115127.3 Ų127.380%0.80473%0.733SS**  trans72.1157.1158.584.60000116.9
1662S26.8Very low26.7Very low103 Ų103129.4 Ų129.472%0.7274%0.737SS**  cis-154.1179.46.1-149.70000114
1663L24Very low26.6Very low145 Ų145127 Ų12776%0.75973%0.733SS**  trans-41157.7179.4-77.567.4000118.1
1664M25.5Very low26.5Very low164 Ų164128.4 Ų128.481%0.80874%0.739SS**  -173.3135.5109.9-98.6-60.6173.500114.8
1665S27.1Very low26.7Very low102 Ų102128.8 Ų128.871%0.71374%0.744SS**  trans58.5151.6161.1-64.20000119.2
1666T29.2Very low26.8Very low119 Ų119128.6 Ų128.673%0.7375%0.748SS**  cis-161160.4-17.123.30000105
1667N28.9Very low26.9Very low131 Ų131132.5 Ų132.570%0.70175%0.752SS**  cis-164.5160.827.9-137.5-2.6000112.3
1668T29.8Very low27Very low100 Ų100132.7 Ų132.761%0.61376%0.757SS**  trans50.7111.8150.954.10000123.6
1669N28.7Very low27Very low140 Ų140132.6 Ų132.675%0.74976%0.761SS**  91.9121.6119-61.50.1000123.9
1670N27.9Very low27Very low157 Ų157130.3 Ų130.384%0.8476%0.758SS**  trans81.1145.2144.8-71.90.6000122
1671P31.7Very low27.6Very low119 Ų119130 Ų13077%0.77376%0.758SS**  trans-118.4-170.8-17245.3-33.3000114.5
1672L23.8Very low27.6Very low158 Ų158131.5 Ų131.583%0.82776%0.756SS**  trans110.8143.7153.7-157.368.9000117
1673S24.7Very low27.7Very low93 Ų93132.9 Ų132.965%0.6575%0.754SS**  trans60.5105.6162.348.60000120
1674T24.9Very low28Very low131 Ų131133.1 Ų133.180%0.80475%0.751SS**  38.6114.7115.3-37.70000119.6
1675I28.4Very low28.1Very low167 Ų167131.3 Ų131.386%0.85674%0.741SS**  -167.3158.1123.9-99.6155.2000109.1
1676S27.8Very low28.4Very low107 Ų107134.9 Ų134.975%0.74875%0.747SS**  trans-109.2159.4-173.5-70.60000113.7
1677R27.5Very low28.4Very low235 Ų235133.9 Ų133.989%0.88774%0.737SS**  trans82.9108169.6-64.7-173.7174-172.9-1.7117.9
1678S26.9Very low28.6Very low102 Ų102135.4 Ų135.471%0.71374%0.739SS**  25.3135.7121.162.10000118.7
1679T26.3Very low28.6Very low131 Ų131135.4 Ų135.480%0.80474%0.743SS**  cis-142.4171.741.547.40000116.3
1680S27.9Very low28.6Very low104 Ų104135.4 Ų135.473%0.72774%0.743SS**  trans-38.3172.2154.5-22.40000114.8
1681P36.8Very low28.7Very low108 Ų108135.2 Ų135.270%0.70174%0.738SS**  cis-151.3-146.234.537.3-10.5000115.8
1682I25.8Very low28.6Very low146 Ų146137.7 Ų137.775%0.74974%0.739SS**  trans78.9129.4159.3-74157.3000116.3
1683L28.5Very low28.9Very low131 Ų131135.5 Ų135.569%0.68673%0.732SS**  cis-143.5-156.9-7.9-111.7172.3000107.4
1684Q31.1Very low29Very low150 Ų150136 Ų13670%0.70173%0.734SS**  cis-156.6123.66.3-149.61404.200107.3
1685Q27.4Very low29.2Very low126 Ų126136.6 Ų136.659%0.58973%0.733SS**  77115.175-168.5-168.125.800116.6
1686Q31.9Very low29.2Very low178 Ų178135.5 Ų135.583%0.83273%0.728SS**  trans-175.8125134.3-97.4178.212.800107.6
1687N30.7Very low29.3Very low97 Ų97136.1 Ų136.152%0.51973%0.732SS.*  85.7125.855.9-69.817.6000111.9
1688H31.4Very low29.3Very low163 Ų163133 Ų13376%0.75573%0.732SS**  cis-137.4-148.1-7-66-70.3000108.5
1689S30.5Very low29.2Very low100 Ų100131.6 Ų131.670%0.69973%0.734SS**  cis-169.7152.93.916.70000111.5
1690N29.3Very low29.2Very low140 Ų140130.8 Ų130.875%0.74973%0.734SS**  trans60.4136.5158.3-6331.4000119.5
1691E29.5Very low29Very low154 Ų154130.2 Ų130.272%0.7273%0.729SS**  cis-136.8127.7-1.8-108.1153.1-14700108.5
1692Q30.4Very low28.4Very low171 Ų171129.6 Ų129.680%0.79973%0.727SS**  62.2129.3102.3-66.8-162.513.500115.4
1693T28.9Very low28.4Very low112 Ų112129.5 Ų129.569%0.68772%0.721SS**  cis-151.8130.57.68.70000109
1694C27.3Very low28.3Very low102 Ų102126.4 Ų126.469%0.68971%0.708SS**  65.1131.792.9-600000115.1
1695N29.2Very low28.1Very low145 Ų145123 Ų12378%0.77570%0.695SS**  cis-135.9154.98.1-67.1-65.8000110.8
1696L27.7Very low28.2Very low144 Ų144124 Ų12475%0.75470%0.702SS**  cis79.395.842.1-103.6163.3000116.4
1697S29.7Very low28Very low120 Ų120120.1 Ų120.184%0.83970%0.695SS**  -166.5168.9126.756.70000110.7
1698L28.2Very low27.9Very low168 Ų168121.4 Ų121.488%0.8871%0.711SS**  trans-106.7147.7-167.9-91.762000113.2
1699G24.6Very low27.9Very low74 Ų74122.9 Ų122.976%0.76372%0.716SS**  trans151.5104.1147.800000118.9
1700S25.6Very low27.7Very low114 Ų114123.5 Ų123.580%0.79772%0.72SS**  trans73.8124.1152.6-151.50000122.1
1701S25.1Very low27.5Very low91 Ų91122.5 Ų122.564%0.63672%0.719SS**  trans54.9106.3137.562.20000123.8
1702C23.6Very low27.2Very low95 Ų95122.4 Ų122.464%0.64272%0.723SS**  83.4147.2128.6-56.90000123.2
1703F25.6Very low26.9Very low145 Ų145123.2 Ų123.264%0.63673%0.727SS**  trans96.790.3157.5-81.7-81.5000123.2N1513 T1515N1513-F1703 PolarHBondContact ND2-N 3.42Å; N1513-F1703 PolarHBondContact OD1-N 3.09Å; T1515-F1703 WeakPolarHBondContact CG2-O 3.3Å
1704T26.1Very low26.7Very low65 Ų65130 Ų13040%0.39974%0.74SS.*  74.8106.9127.551.50000124.5N1513 D1514 T1515N1513-T1704 PolarHBondContact OD1-N 3.45Å; D1514-T1704 VanDerWaalsContact C-C 3.47Å; D1514-T1704 CarbonylContact C-O 3.54Å; D1514-T1704 VanDerWaalsContact CA-C 3.45Å; T1515-T1704 WeakPolarHBondContact CA-O 3.43Å; T1515-T1704 PolarHBondContact N-O 3.36Å
1705N27.5Very low26.5Very low80 Ų80133.6 Ų133.643%0.42875%0.745SS.*  trans45.9128.4136.6-61-36.2000125.5S1512 D1514S1512-N1705 WeakPolarHBondContact CB-OD1 3.42Å; S1512-N1705 PolarHBondContact O-OD1 3.14Å; S1512-N1705 PolarHBondContact OG-ND2 3.46Å; S1512-N1705 PolarHBondContact OG-OD1 3.48Å; D1514-N1705 CarbonylContact O-C 3.33Å; D1514-N1705 VanDerWaalsContact O-C 3.27Å
1706I29.2Very low26.2Very low146 Ų146133.4 Ų133.475%0.74975%0.749SS**  trans-138.1101.9133.6-59-176.3000107.6D1514D1514-I1706 PolarHBondContact O-N 3.07Å
1707S27.5Very low26Very low97 Ų97132.1 Ų132.168%0.67875%0.752SS**  76.3113.677.51640000116.7
1708S29.8Very low25.7Very low123 Ų123136.5 Ų136.586%0.8676%0.756SS**  trans-135.4154.1140.572.80000109.7
1709K29.9Very low25.5Very low195 Ų195134.2 Ų134.285%0.84875%0.749SS**  trans-99.8139.8-158.3-64.7177.9176.9179.10114.7
1710S27.6Very low25.4Very low113 Ų113139.6 Ų139.679%0.7975%0.754SS**  -155.8137.8118.667.40000110.7
1711T24.2Very low25.4Very low119 Ų119139.4 Ų139.473%0.7375%0.753SS**  trans-152.7123.4-179.648.40000109.9
1712N23.9Very low25.3Very low152 Ų152143.7 Ų143.781%0.81376%0.76SS**  trans166.5173.8131.8-85.3-8000111.6
1713E24Very low25.4Very low188 Ų188144.9 Ų144.988%0.87977%0.768SS**  trans65.583.3169.2-62.6-174-164.900117.3
1714R24.9Very low25.3Very low253 Ų253144.5 Ų144.596%0.95578%0.777SS**  trans-140.646.3148.3-127.4-179.1-163.2-163.15.4114.4
1715F22.5Very low25.1Very low179 Ų179151.1 Ų151.179%0.78580%0.801SS**  trans-82.7166153.8-101.5-98.4000109.9
1716T23Very low24.9Very low140 Ų140157.5 Ų157.586%0.85983%0.825SS**  trans55.872174.860.60000117
1717S24.4Very low24.6Very low118 Ų118161.4 Ų161.483%0.82583%0.83SS**  trans-15478.7145.7-165.50000111.5
1718F22.6Very low24.4Very low211 Ų211164.9 Ų164.993%0.92583%0.83SS**  trans-138.241.1172.3-146.1-89.6000111.8
1719V23.3Very low24.2Very low120 Ų120164.8 Ų164.873%0.72781%0.814SS**SBendtrans-132.6122.21751780000108.9
1720H23.2Very low23.9Very low187 Ų187165.1 Ų165.187%0.86682%0.816SS**  trans5777.8171.8-73.690.5000117.9
1721S25.3Very low23.8Very low111 Ų111164.4 Ų164.478%0.77681%0.81SS**  trans-126.7123.8130.2-164.30000111
1722K23.8Very low23.8Very low181 Ų181162.4 Ų162.479%0.78780%0.8SS**  trans13.4122.6157.6-63.5166.7-173.51750117.2
1723C24.2Very low23.9Very low119 Ų119162 Ų16280%0.80479%0.791SS**  61.1138.572.5-65.10000113.8
1724V23.8Very low23.9Very low138 Ų138160.9 Ų160.984%0.83678%0.783SS**  trans74.364.3-170.4-163.40000113.9
1725F23.6Very low23.9Very low203 Ų203153.1 Ų153.189%0.8976%0.757SS**  trans-157.734.7151.8-119.8-71.7000114.6
1726F23Very low24.1Very low214 Ų214152.4 Ų152.494%0.93976%0.756SS**  trans-144.874.9174.5-106.2-80.2000111.3
1727R22.6Very low24.5Very low229 Ų229152.4 Ų152.486%0.86474%0.744SS**SBendtrans-145.3-14.5169.9-161.8163.4-178.4171.4-0.8115.2
1728Y23.5Very low24.7Very low169 Ų169152.4 Ų152.466%0.66373%0.727SS**SBendtrans-119.5108.2170.6-86.9-89.2000109.5
1729F25.6Very low24.9Very low122 Ų122148.8 Ų148.854%0.53573%0.727SS.*SBendtrans-173.2-24.3155.1-126.7-81.5000112.2
1730F24Very low25.1Very low201 Ų201145.1 Ų145.188%0.88271%0.705SS**SBendtrans-91.76.4-173.8-122.7-90.6000116.1
1731C24.6Very low25.4Very low98 Ų98138.7 Ų138.766%0.66268%0.68SS**SBendtrans-102.1-23.2174.4-66.50000113.8
1732C24.2Very low25.4Very low77 Ų77142.6 Ų142.652%0.5269%0.686SS.*G310 helixtrans-81.9-31.8-164.7-53.40000113.9F1734C1732-F1734 VanDerWaalsContact C-N 3.34Å; C1732-F1734 PolarHBondContact O-N 3.29Å
1733F25.5Very low25.8Very low144 Ų144141.1 Ų141.163%0.63268%0.682SS**G310 helixtrans-86.812.5-171.5-96.6-85.5000116.3
1734F25.4Very low26.3Very low164 Ų164138.4 Ų138.472%0.71966%0.657SS**G310 helixtrans-1296.7175.5-122.9-87.8000114.1C1732 F1752C1732-F1734 VanDerWaalsContact C-N 3.34Å; C1732-F1734 PolarHBondContact O-N 3.29Å; F1734-F1752 HydrophobicContact CD1-CE2 4.02Å; F1734-F1752 HydrophobicContact CD1-CZ 4.3Å; F1734-F1752 HydrophobicContact CE1-CE2 4.41Å
1735F25Very low27Very low91 Ų91138 Ų13840%0.39965%0.649SS.*SBendtrans-120.9-0.9-168.3-107.1-79.3000115.9F1744 V1750F1735-F1744 HydrophobicContact CE1-CD2 4.24Å; F1735-F1744 HydrophobicContact CE1-CE2 4.05Å; F1735-V1750 HydrophobicContact CZ-CB 4.39Å; F1735-V1750 HydrophobicContact CZ-CG2 4.04Å
1736E25.7Very low27.6Very low163 Ų163134.1 Ų134.176%0.76264%0.644SS**SBendtrans-10727.4-172.1-151.7169-129.100114.2
1737K30.8Very low28.3Very low141 Ų141130.9 Ų130.961%0.61364%0.637SS**SBendtrans-129.96.8174.2-75.1-163.6170.9-171.60115.8I1857K1737-I1857 WeakPolarHBondContact CE-O 3.5Å; K1737-I1857 PolarHBondContact NZ-O 3.42Å
1738Y29.8Very low29.2Very low118 Ų118121.7 Ų121.746%0.46361%0.605SS.*SBendtrans-134.7132.2159.1-71.3-93.5000106.8V1740Y1738-V1740 PolarHBondContact O-N 2.78Å
1739S26.7Very low30.5Very low134 Ų134116.6 Ų116.694%0.93759%0.588SS**  trans-74.472.6171.9-600000110.1
1740V27.9Very low31.5Very low43 Ų43111.9 Ų111.926%0.26157%0.569SS.*  trans-80.3133.3171.2-156.50000107.9Y1738 F1744 L2084Y1738-V1740 PolarHBondContact O-N 2.78Å; V1740-F1744 HydrophobicContact CB-CE2 4.1Å; V1740-F1744 HydrophobicContact CG1-CE2 3.51Å; V1740-F1744 HydrophobicContact CG1-CZ 3.6Å; V1740-L2084 HydrophobicContact CG1-CD1 4.29Å
1741P28Very low32.8Very low53 Ų53102.8 Ų102.834%0.34453%0.53SS..  trans-55.6147.3-176.5-28.635.7000113.8H1743P1741-H1743 PolarHBondContact O-N 3.09Å
1742Q26.4Very low33.8Very low193 Ų193100 Ų10090%0.90251%0.506SS*.SBendtrans-73.249.2-175-68.4-177.1-2500114.2
1743H32.6Very low35Very low150 Ų15097 Ų9769%0.69449%0.486SS*.  trans-136.569.4179.6-71.5-36.3000112.5P1741P1741-H1743 PolarHBondContact O-N 3.09Å
1744F34.6Very low35.8Very low62 Ų6292.5 Ų92.527%0.27247%0.471SS..  trans-118.1133.2166.3-69.8-75.9000110.7F1735 V1740 D1748 V1750 L2084F1735-F1744 HydrophobicContact CE1-CD2 4.24Å; F1735-F1744 HydrophobicContact CE1-CE2 4.05Å; V1740-F1744 HydrophobicContact CB-CE2 4.1Å; V1740-F1744 HydrophobicContact CG1-CE2 3.51Å; V1740-F1744 HydrophobicContact CG1-CZ 3.6Å; F1744-D1748 HydrophobicContact CB-CB 4.34Å; F1744-D1748 HydrophobicContact CD1-CB 3.75Å; F1744-V1750 HydrophobicContact CD1-CG2 4.04Å; F1744-V1750 HydrophobicContact CE1-CG2 3.51Å; F1744-V1750 HydrophobicContact CZ-CG2 3.95Å; F1744-L2084 HydrophobicContact CE1-CD1 3.98Å; F1744-L2084 HydrophobicContact CE1-CD2 3.71Å; F1744-L2084 HydrophobicContact CE1-CG 4.44Å; F1744-L2084 HydrophobicContact CZ-CD1 3.67Å; F1744-L2084 HydrophobicContact CZ-CD2 3.66Å; F1744-L2084 HydrophobicContact CZ-CG 4.32Å
1745L36.7Very low36.5Very low128 Ų12887 Ų8767%0.6745%0.451SS*.  trans-83159.2170.4-71.8169000110.1D1747 D1748L1745-D1747 PolarHBondContact O-N 3.25Å; L1745-D1748 PolarHBondContact N-OD2 2.76Å; L1745-D1748 PolarHBondContact O-N 2.68Å
1746P36.2Very low36.9Very low122 Ų12285.1 Ų85.179%0.79245%0.448SS*.THydrogen-bonded Turntrans-56.5-17.9-177.5-28.236.6000116.1
1747D38.7Very low37.1Very low147 Ų14780 Ų8079%0.78644%0.439SS*.THydrogen-bonded Turntrans-100-2.2179.9-60.2-54.8000114.2L1745 I1749L1745-D1747 PolarHBondContact O-N 3.25Å; D1747-I1749 PolarHBondContact O-N 3.44Å
1748D42.6Very low36.9Very low35 Ų3579.6 Ų79.619%0.18745%0.448CS..  trans-7687-179.8-81.6-43.1000112.1F1744 L1745 V1750 R2052F1744-D1748 HydrophobicContact CB-CB 4.34Å; F1744-D1748 HydrophobicContact CD1-CB 3.75Å; L1745-D1748 PolarHBondContact N-OD2 2.76Å; L1745-D1748 PolarHBondContact O-N 2.68Å; D1748-V1750 PolarHBondContact O-N 2.92Å; D1748-V1750 VanDerWaalsContact O-N 3.07Å; D1748-R2052 WeakPolarHBondContact OD1-CD 3.3Å; D1748-R2052 IonicContact OD1-CZ 3.44Å; D1748-R2052 IonicContact OD1-NE 2.76Å; D1748-R2052 PolarHBondContact OD1-NE 3.24Å; D1748-R2052 IonicContact OD1-NH1 2.75Å; D1748-R2052 PolarHBondContact OD1-NH1 2.92Å; D1748-R2052 IonicContact OD1-NH2 3.55Å; D1748-R2052 IonicContact OD2-CZ 3.72Å; D1748-R2052 IonicContact OD2-NE 3.05Å; D1748-R2052 IonicContact OD2-NH1 3.13Å; D1748-R2052 PolarHBondContact OD2-NH1 3.16Å; D1748-R2052 IonicContact OD2-NH2 3.64Å; D1748-R2052 PolarHBondContact OD2-NH2 2.99Å
1749I48.8Very low36.6Very low63 Ų6384.8 Ų84.832%0.32347%0.467SS..  trans-69.1106.3172.5-55.7176.9000109.7D1747 Y2053D1747-I1749 PolarHBondContact O-N 3.44Å; I1749-Y2053 HydrophobicContact CB-CD2 3.81Å; I1749-Y2053 HydrophobicContact CB-CG 4.42Å; I1749-Y2053 HydrophobicContact CG2-CD2 3.72Å; I1749-Y2053 HydrophobicContact CG2-CE2 4.23Å; I1749-Y2053 PolarHBondContact O-N 3.38Å
1750V46.8Very low36.5Very low22 Ų2283.6 Ų83.613%0.13346%0.456CS..EExtended strand (participates in β ladder)trans-80.2130.5170.2178.50000110.1F1735 F1744 D1748 A2050 A2051 L2084F1735-V1750 HydrophobicContact CZ-CB 4.39Å; F1735-V1750 HydrophobicContact CZ-CG2 4.04Å; F1744-V1750 HydrophobicContact CD1-CG2 4.04Å; F1744-V1750 HydrophobicContact CE1-CG2 3.51Å; F1744-V1750 HydrophobicContact CZ-CG2 3.95Å; D1748-V1750 PolarHBondContact O-N 2.92Å; D1748-V1750 VanDerWaalsContact O-N 3.07Å; V1750-A2050 HydrophobicContact CG1-CB 3.98Å; V1750-A2051 WeakPolarHBondContact CA-O 3.5Å; V1750-L2084 HydrophobicContact CG1-CD1 4.41Å; V1750-L2084 HydrophobicContact CG2-CD1 4.39Å
1751I52.4Low36.3Very low11 Ų1186.5 Ų86.56%0.05648%0.478CS..EExtended strand (participates in β ladder)trans-104.7122.7175.8-51.8173.6000107.5V1753 L2001 A2051 Y2053 V2079 A2081I1751-V1753 HydrophobicContact CG2-CG2 4.2Å; I1751-L2001 HydrophobicContact CB-CD1 4.48Å; I1751-L2001 HydrophobicContact CD1-CD1 3.64Å; I1751-L2001 HydrophobicContact CG2-CD1 3.94Å; I1751-A2051 HydrophobicContact CB-CB 4.45Å; I1751-A2051 PolarHBondContact N-O 2.86Å; I1751-A2051 PolarHBondContact O-N 3.27Å; I1751-Y2053 HydrophobicContact CD1-CD2 3.59Å; I1751-Y2053 HydrophobicContact CD1-CE2 3.81Å; I1751-Y2053 HydrophobicContact CD1-CG 4.23Å; I1751-Y2053 HydrophobicContact CG1-CD2 3.88Å; I1751-Y2053 HydrophobicContact CG1-CE2 4.26Å; I1751-V2079 HydrophobicContact CD1-CG1 3.59Å; I1751-A2081 HydrophobicContact CD1-CB 4.15Å
1752F45.5Very low36.1Very low38 Ų3890.8 Ų90.817%0.16750%0.497CS..EExtended strand (participates in β ladder)trans-82.4144.3164.8-61.7-82.8000108.9F1734 L1992 F2048 I2049F1734-F1752 HydrophobicContact CD1-CE2 4.02Å; F1734-F1752 HydrophobicContact CD1-CZ 4.3Å; F1734-F1752 HydrophobicContact CE1-CE2 4.41Å; F1752-L1992 HydrophobicContact CB-CB 4.06Å; F1752-L1992 HydrophobicContact CB-CD1 3.75Å; F1752-L1992 HydrophobicContact CB-CD2 4.43Å; F1752-L1992 HydrophobicContact CB-CG 4.29Å; F1752-L1992 VanDerWaalsContact O-CB 3.29Å; F1752-L1992 WeakPolarHBondContact O-CB 3.37Å; F1752-L1992 VanDerWaalsContact O-CD1 3.27Å; F1752-L1992 WeakPolarHBondContact O-CD1 3.21Å; F1752-F2048 HydrophobicContact CB-CB 4.15Å; F1752-F2048 HydrophobicContact CB-CD1 4.19Å; F1752-F2048 HydrophobicContact CB-CG 4.31Å; F1752-F2048 HydrophobicContact CD1-CB 3.91Å; F1752-F2048 HydrophobicContact CD1-CG 4.45Å; F1752-F2048 HydrophobicContact CG-CB 4.49Å; F1752-I2049 CarbonylContact C-O 3.47Å; F1752-I2049 VanDerWaalsContact CA-O 3.26Å; F1752-I2049 WeakPolarHBondContact CA-O 3.33Å
1753V49Very low36Very low14 Ų1486.5 Ų86.59%0.08549%0.488CS..EExtended strand (participates in β ladder)trans-131.5127.2172.4-168.90000109.8I1751 V1755 I2011 F2048 I2049I1751-V1753 HydrophobicContact CG2-CG2 4.2Å; V1753-V1755 PolarHBondContact O-N 3.1Å; V1753-I2011 HydrophobicContact CB-CD1 4.17Å; V1753-I2011 HydrophobicContact CG1-CD1 3.67Å; V1753-I2011 HydrophobicContact CG1-CG1 4.31Å; V1753-I2011 HydrophobicContact CG2-CD1 4.28Å; V1753-F2048 WeakPolarHBondContact O-CA 3.38Å; V1753-I2049 PolarHBondContact N-O 2.99Å; V1753-I2049 PolarHBondContact O-N 3.13Å
1754P42Very low35.5Very low51 Ų5184.5 Ų84.533%0.33149%0.491SS..EExtended strand (participates in β ladder)trans-72.7124.8-177.731.2-33.1000109.8Y2047 F2048P1754-Y2047 WeakPolarHBondContact CA-O 3.2Å; P1754-F2048 HydrophobicContact CB-CD1 4.44Å; P1754-F2048 HydrophobicContact CB-CE1 4.3Å
1755V39.9Very low34.9Very low48 Ų4885.9 Ų85.929%0.29151%0.508SS..  trans-85.5127.9172.5-1720000107.9V1753 G1757 Y2047 I2049V1753-V1755 PolarHBondContact O-N 3.1Å; V1755-G1757 PolarHBondContact O-N 2.78Å; V1755-Y2047 PolarHBondContact N-O 3Å; V1755-I2049 HydrophobicContact CG2-CD1 3.49Å; V1755-I2049 VanDerWaalsContact CG2-CD1 3.49Å; V1755-I2049 HydrophobicContact CG2-CG1 3.69Å
1756P34.3Very low34.6Very low52 Ų5285.9 Ų85.934%0.33851%0.514SS..  trans-63114.4168.726.9-31.5000107.6T1758 I2015 Y2017P1756-T1758 PolarHBondContact O-N 2.76Å; P1756-I2015 HydrophobicContact CB-CD1 4.09Å; P1756-I2015 HydrophobicContact CG-CD1 3.59Å; P1756-Y2017 HydrophobicContact CB-CE1 4.44Å; P1756-Y2017 WeakPolarHBondContact CD-OH 3.41Å; P1756-Y2017 HydrophobicContact CG-CE1 3.98Å; P1756-Y2017 WeakPolarHBondContact CG-OH 3.24Å
1757G30.4Very low34Very low56 Ų5688.1 Ų88.158%0.57752%0.518SS*.  trans-51.9119-173.400000111V1755 R1759V1755-G1757 PolarHBondContact O-N 2.78Å; G1757-R1759 PolarHBondContact O-N 2.74Å
1758T26.2Very low33.4Very low131 Ų13188 Ų8880%0.80452%0.518SS*.  trans-59.7103.2170.929.70000107.7P1756 P1760P1756-T1758 PolarHBondContact O-N 2.76Å; T1758-P1760 VanDerWaalsContact O-N 3.13Å
1759R23.3Very low32.6Very low228 Ų22892.2 Ų92.286%0.8655%0.545SS*.  trans-42.8123.4157.2-173.1-173.3-156.8-166.26.2105.6G1757 S1761G1757-R1759 PolarHBondContact O-N 2.74Å; R1759-S1761 PolarHBondContact O-N 3.49Å
1760P24.1Very low31.5Very low108 Ų10894 Ų9470%0.70156%0.563SS**  trans-55.2114.8-178.521.2-31.9000107.1T1758 I1762T1758-P1760 VanDerWaalsContact O-N 3.13Å; P1760-I1762 PolarHBondContact O-N 3.4Å
1761S23.5Very low30.8Very low104 Ų10498.1 Ų98.173%0.72759%0.59SS**  trans-61.3108.6171.238.50000105.1R1759 S1763R1759-S1761 PolarHBondContact O-N 3.49Å; S1761-S1763 PolarHBondContact O-N 2.94Å
1762I25.3Very low29.7Very low144 Ų144103.4 Ų103.474%0.73862%0.623SS**  trans-6593.8171.5-60.4177.2000105.1P1760 S1764P1760-I1762 PolarHBondContact O-N 3.4Å; I1762-S1764 PolarHBondContact O-N 3.39Å; I1762-S1764 PolarHBondContact O-OG 3.42Å
1763S23.1Very low28.9Very low102 Ų102107.6 Ų107.671%0.71365%0.652SS**  trans-68.466.7173.938.40000109S1761 S1765S1761-S1763 PolarHBondContact O-N 2.94Å; S1763-S1765 PolarHBondContact O-N 2.99Å
1764S21.6Very low27.8Very low109 Ų109113.2 Ų113.276%0.76269%0.686SS**  trans-75.942.8177.336.70000110.9I1762I1762-S1764 PolarHBondContact O-N 3.39Å; I1762-S1764 PolarHBondContact O-OG 3.42Å
1765S23.4Very low27.2Very low90 Ų90117.1 Ų117.163%0.62971%0.709SS**  trans-174.5122.117757.80000107S1763S1763-S1765 PolarHBondContact O-N 2.99Å
1766T29.3Very low26.4Very low129 Ų129119.5 Ų119.579%0.79173%0.728SS**  cis-143.3126.44.649.30000111
1767L23.6Very low26Very low169 Ų169122.9 Ų122.989%0.88575%0.747SS**  trans-122.989.8160.3-138.2176.4000106.5
1768N25.5Very low25.7Very low144 Ų144125.6 Ų125.677%0.7775%0.753SS**  trans-138.963.7-168.5-14431.5000113.4
1769T27.8Very low25.5Very low124 Ų124124.8 Ų124.876%0.76175%0.748SS**  trans-14480.5144.645.20000105.3
1770S25.1Very low25.6Very low100 Ų100119.3 Ų119.370%0.69974%0.74SS**  65.513477.778.80000112.8
1771P31.4Very low25.5Very low108 Ų108119.8 Ų119.870%0.70174%0.741SS**  trans-115.3177.2-149.141.7-31.2000114.2
1772T29.7Very low25.8Very low123 Ų123121.6 Ų121.676%0.75574%0.743SS**  trans-140.1137.5164.2250000112.8
1773T29.4Very low25.8Very low125 Ų125119.3 Ų119.377%0.76774%0.739SS**  trans6879.2149.1-41.10000118.9
1774V24.9Very low26Very low132 Ų132120 Ų12080%0.874%0.74SS**  -2.5129.7124.4-179.30000116.1
1775T29.2Very low26.2Very low133 Ų133118.4 Ų118.482%0.81673%0.733SS**  -169.6150.7121.6-720000110.3
1776S24.4Very low26.4Very low99 Ų99119.2 Ų119.269%0.69274%0.738SS**  trans-102.7-177.4-173.249.50000113.9
1777V24.5Very low26.2Very low122 Ų122118.9 Ų118.974%0.73974%0.74SS**  trans93.698161.2-175.80000117.6
1778T23.5Very low26.4Very low113 Ų113118.2 Ų118.269%0.69374%0.736SS**  trans47.6155.3137.771.20000124.7
1779T23.2Very low26.5Very low115 Ų115118.6 Ų118.671%0.70674%0.737SS**  trans84.4133.3141.331.40000121.9
1780T24.2Very low26.5Very low113 Ų113116.7 Ų116.769%0.69373%0.728SS**  trans67103.3145.850.60000121.7
1781T23.7Very low26.6Very low117 Ų117119.6 Ų119.672%0.71873%0.731SS**  69.2132.7124.7610000122.5
1782N28.1Very low26.5Very low143 Ų143121.3 Ų121.377%0.76573%0.734SS**  trans80.6114.6136-68.11.4000121.9
1783S27Very low26.4Very low95 Ų95124.7 Ų124.766%0.66474%0.735SS**  85.695.9123-58.90000121.4
1784T26.2Very low26.4Very low118 Ų118125.9 Ų125.972%0.72473%0.731SS**  49.498.1123.359.70000120.4
1785A25.6Very low26.5Very low75 Ų75126.2 Ų126.262%0.6273%0.729SS**  43124.1118.800000121.5
1786S28Very low26.6Very low106 Ų106126.5 Ų126.574%0.74173%0.729SS**  -160.5153.1118.833.30000112.5
1787C24.8Very low27.2Very low122 Ų122130.5 Ų130.582%0.82474%0.735SS**  trans-90.4159.1176.1-41.70000110.8
1788I27.3Very low27.4Very low156 Ų156128.9 Ų128.980%0.873%0.734SS**  trans-169.7138149-110.3155000112.8
1789L29.3Very low27.8Very low151 Ų151130.7 Ų130.779%0.79174%0.739SS**  trans55.9162.2164.3-87.643000119.1
1790S26.4Very low28.1Very low84 Ų84129.1 Ų129.159%0.58775%0.746SS**  cis-172.3154.2-40.6-103.30000110.2
1791Q27.2Very low28.5Very low162 Ų162127.1 Ų127.176%0.75775%0.748SS**  trans30.8114.3143.3-57.6170.6-34.200119
1792N30.3Very low28.9Very low143 Ų143127.7 Ų127.777%0.76575%0.752SS**  -174126.686.6-94.6-53.9000115.5
1793Y26.8Very low29.2Very low195 Ų195127.3 Ų127.377%0.76576%0.755SS**  trans4.5143.5147.6-83.1-75.3000124.7
1794H30.3Very low29.4Very low149 Ų149127.2 Ų127.269%0.6976%0.759SS**  trans96.1107.3133-86-47.9000121.8
1795D26.8Very low29.7Very low140 Ų140126 Ų12675%0.74976%0.761SS**  trans-43.5160.2141.8-34.3-107.3000113.6
1796V30.5Very low29.9Very low138 Ų138128.2 Ų128.284%0.83677%0.767SS**  -166149100.3145.30000110.6
1797K37.4Very low30.1Very low184 Ų184128.7 Ų128.780%0.877%0.766SS**  trans-106.8137-177.5166.8-166.7175.4-170.90109.5
1798A29.4Very low30.4Very low88 Ų88128 Ų12873%0.72776%0.758SS**  trans-168.6165169.800000110.7
1799D30.9Very low30.5Very low150 Ų150126.3 Ų126.380%0.80276%0.755SS**  cis172.4179.5-43.8-97.2-27.9000106.6
1800G31Very low30.5Very low82 Ų82124.6 Ų124.685%0.84575%0.751SS**  trans17580.8163.300000120.5
1801G31.1Very low30.7Very low71 Ų71127.6 Ų127.673%0.73276%0.761SS**  trans139.7134.1130.600000118.1
1802T33.1Very low30.8Very low130 Ų130124.5 Ų124.580%0.79876%0.757SS**  cis-159.6162.9-9.4-44.60000109.8
1803T33Very low30.7Very low135 Ų135122.6 Ų122.683%0.82876%0.755SS**  trans80.6132.6167.769.70000117.5
1804A31.8Very low30.8Very low92 Ų92118 Ų11876%0.7675%0.751SS**  cis-161.5154.2-11.600000114.1
1805A32Very low30.8Very low93 Ų93117.8 Ų117.877%0.76976%0.755SS**  trans67149.3150.200000120.6
1806T31.3Very low30.9Very low121 Ų121117.4 Ų117.474%0.74275%0.753SS**  cis-163.7135.5-18.2-910000110.4
1807T31.4Very low30.7Very low116 Ų116117.6 Ų117.671%0.71275%0.749SS**  trans-3.9161.6150.57.80000121.1
1808T30.3Very low30.4Very low109 Ų109114.9 Ų114.967%0.66975%0.748SS**  cis-171.5151.531.3-12.80000113.1
1809T29.2Very low30.2Very low119 Ų119117.4 Ų117.473%0.7375%0.75SS**  trans37.1154.6141.253.30000123.5
1810T31Very low29.9Very low115 Ų115115.5 Ų115.571%0.70674%0.743SS**  cis-165.7160.814.9-0.90000113.4
1811N30Very low29.8Very low148 Ų148119.4 Ų119.479%0.79174%0.739SS**  trans-0.9155.9143.9-59.73.7000121.3
1812S28.9Very low29.5Very low97 Ų97122 Ų12268%0.67874%0.736SS**  cis-175.7158.8-8.850.90000114.3
1813S28.7Very low29.2Very low103 Ų103120.6 Ų120.672%0.7273%0.732SS**  trans68.7128.7145.260.90000126
1814S29.4Very low28.8Very low99 Ų99120.9 Ų120.969%0.69273%0.733SS**  trans86107.7131.6650000125.9
1815N30.4Very low28.5Very low143 Ų143121.9 Ų121.977%0.76573%0.73SS**  57.9129.8123.3-57.312.1000124.7
1816N28.5Very low28.2Very low133 Ų133124.6 Ų124.671%0.71173%0.73SS**  172.6145.799.4-93.5-29.9000115.7
1817N26.7Very low28.2Very low142 Ų142124.5 Ų124.576%0.75973%0.73SS**  trans62.6155.3151.8-63-9.7000118.7
1818T30.8Very low27.9Very low127 Ų127126.8 Ų126.878%0.77973%0.73SS**  cis-168.3166.7-2.221.30000106.2
1819N25.6Very low27.7Very low141 Ų141124.1 Ų124.175%0.75472%0.715SS**  cis166.6146.2-16.4-173.724.4000107.3
1820V24.3Very low27.5Very low110 Ų110121.5 Ų121.567%0.66770%0.697SS**  trans83.9138.4164-153.30000123
1821H27.5Very low27.2Very low164 Ų164122.5 Ų122.576%0.75970%0.696SS**  trans103.7106154.5-84.5-53000124.3
1822D25.1Very low26.9Very low126 Ų126127 Ų12767%0.67470%0.703SS**  trans45.4129136.2-75.9-73000128.1
1823S26.7Very low26.6Very low100 Ų100127.8 Ų127.870%0.69971%0.708SS**  42.9137.5122.6-49.30000121.2
1824T26.2Very low26.2Very low140 Ų140130.3 Ų130.386%0.85971%0.71SS**  cis-145.3-146.634.454.70000114.4
1825T24.8Very low25.9Very low113 Ų113132 Ų13269%0.69371%0.712SS**  trans-124.6151.8-149.649.60000117.2
1826I25.5Very low25.6Very low150 Ų150129.5 Ų129.577%0.76971%0.705SS**  trans69.5124.2149.2-72.6162.8000115.2
1827T30.8Very low25.4Very low120 Ų120131.8 Ų131.874%0.73671%0.709SS**  cis-165.5160.56.521.30000108.2
1828K25.7Very low25.2Very low164 Ų164132.9 Ų132.971%0.71371%0.713SS**  cis176.4138.2-16.4164.9-170.9171.8-168.70108.9T1611T1611-K1828 HydrophobicContact CG2-CD 4.09Å; T1611-K1828 HydrophobicContact CG2-CG 3.87Å
1829S26.4Very low24.9Very low52 Ų52131 Ų13136%0.36471%0.71SS.*  trans-149.1-179.8179.3550000112.9T1611 S1612T1611-S1829 CarbonylContact C-O 3.54Å; T1611-S1829 WeakPolarHBondContact CA-O 3.4Å; S1612-S1829 PolarHBondContact N-O 3.04Å
1830D24.4Very low24.8Very low65 Ų65129.3 Ų129.335%0.34871%0.709SS.*  trans81.9112145.1-64.9-36.4000124T1611 S1612T1611-D1830 CarbonylContact C-O 3.44Å; T1611-D1830 WeakPolarHBondContact CA-O 3.48Å; T1611-D1830 PolarHBondContact N-O 2.86Å; S1612-D1830 WeakPolarHBondContact O-CB 3.47Å
1831I25.6Very low24.8Very low135 Ų135131.6 Ų131.669%0.69272%0.718SS**  78.9127.6103.5-83.1173.4000124.1
1832W23.2Very low24.7Very low244 Ų244131.8 Ų131.892%0.92472%0.723SS**  trans87179.2147.2-84.230.3000123.3
1833S21.6Very low24.7Very low112 Ų112134.8 Ų134.878%0.78374%0.739SS**  trans-148.3-178.5-144.2-174.10000113.5
1834M22.3Very low24.5Very low156 Ų156133 Ų13377%0.76874%0.735SS**  trans85.2125.8172.7-80.2-160.3157.200121
1835N23Very low24.4Very low136 Ų136131 Ų13173%0.72773%0.734SS**  trans69.5140137.4-69-23.9000120.1
1836S23.2Very low24.3Very low89 Ų89132.7 Ų132.762%0.62274%0.737SS**  cis-170.5173-1.557.20000112.9
1837K23.5Very low24.2Very low182 Ų182129.7 Ų129.779%0.79173%0.729SS**  trans69142.6147.3-82.4175.4177.6177.80120.7
1838I23.5Very low24Very low165 Ų165129.8 Ų129.885%0.84673%0.732SS**  trans71.8128156.9-64.2159.5000114.4
1839A24.9Very low23.9Very low87 Ų87124.8 Ų124.872%0.71972%0.717SS**  cis-153.2161.4-4.600000112.3
1840S23.3Very low23.9Very low105 Ų105126.5 Ų126.573%0.73473%0.729SS**  trans-72.3119.8152.848.80000109.9
1841N24Very low24Very low159 Ų159125.8 Ų125.885%0.8573%0.73SS**  trans172.268.8148.8-89.6-15.3000112.6
1842L25.4Very low23.9Very low167 Ų167122.1 Ų122.187%0.87471%0.711SS**  trans-159.473.5153.9-149.382000112.1
1843L24.9Very low24Very low190 Ų190118.4 Ų118.4100%0.99571%0.708SS**  trans-123.562172.1-150.875.2000111.8
1844G23.5Very low24.1Very low61 Ų61118.8 Ų118.863%0.62971%0.711SS**SBendtrans-146.7124.2168.200000108.8
1845A23.1Very low24.2Very low100 Ų100113.6 Ų113.683%0.82669%0.69SS**SBendtrans58.170.7177.900000117.3
1846I23.2Very low24.2Very low148 Ų148112.4 Ų112.476%0.75968%0.681SS**  trans-160.2137.4131.4-97.6148000108.1
1847S23.6Very low24.1Very low86 Ų86113 Ų11360%0.60168%0.677SS**  trans-77.3150.4-174.1-480000113.1S1849S1847-S1849 PolarHBondContact O-N 2.78Å
1848P26.2Very low24.1Very low123 Ų123108.7 Ų108.780%0.79967%0.665SS**  trans-7461.7147.834.6-32.9000109.4S1850P1848-S1850 PolarHBondContact O-N 2.67Å
1849S22.9Very low24.1Very low59 Ų59104.9 Ų104.941%0.41364%0.644SS.*  trans-76.772.5169.855.40000108.6S1847S1847-S1849 PolarHBondContact O-N 2.78Å
1850S26.2Very low24Very low88 Ų88105 Ų10562%0.61564%0.639SS**  trans-130.749.4175.860.60000109.7P1848 L1852P1848-S1850 PolarHBondContact O-N 2.67Å; S1850-L1852 PolarHBondContact O-N 3.05Å
1851S26.4Very low24Very low50 Ų50104.6 Ų104.635%0.3564%0.636SS.*  trans-61.5-17.3172.544.70000113.7E135 L1853 S1854E135-S1851 PolarHBondContact OE1-OG 2.61Å; S1851-L1853 PolarHBondContact O-N 3.43Å; S1851-S1854 PolarHBondContact O-N 3.25Å; S1851-S1854 VanDerWaalsContact O-N 3.09Å
1852L25Very low24Very low58 Ų5899.5 Ų99.530%0.30461%0.609SS.*THydrogen-bonded Turntrans-61.46.6-170.9-74.3163.2000117.5L550 S1850L550-L1852 HydrophobicContact CD2-CD2 3.65Å; L550-L1852 HydrophobicContact CG-CD2 4.01Å; S1850-L1852 PolarHBondContact O-N 3.05Å
1853L24.7Very low24Very low166 Ų16695.8 Ų95.887%0.86960%0.595SS**THydrogen-bonded Turntrans-133.44.2175.7-100.9149.7000113.8S1851S1851-L1853 PolarHBondContact O-N 3.43Å
1854S24Very low23.9Very low119 Ų11989.5 Ų89.583%0.83256%0.56SS**SBendtrans-110.98.8177.7-61.90000113.8S1851S1851-S1854 PolarHBondContact O-N 3.25Å; S1851-S1854 VanDerWaalsContact O-N 3.09Å
1855S23.2Very low23.8Very low47 Ų4790.1 Ų90.133%0.32955%0.553SS.*SBendtrans-124.425.2-170.363.50000114.1R142R142-S1855 WeakPolarHBondContact CD-O 3.4Å; R142-S1855 PolarHBondContact NH1-O 3.12Å; R142-S1855 PolarHBondContact NH1-OG 2.69Å
1856M22.8Very low23.8Very low112 Ų11291.5 Ų91.555%0.55256%0.557SS**SBendtrans-137.13.5-172-139.1170.6-166.400115.9D547D547-M1856 VanDerWaalsContact OD2-CE 3.25Å; D547-M1856 WeakPolarHBondContact OD2-CE 3.17Å
1857I22.3Very low23.7Very low102 Ų10288 Ų8852%0.52355%0.545SS..  trans-132.577.8177-46.3-179.7000111.3K1737K1737-I1857 WeakPolarHBondContact CE-O 3.5Å; K1737-I1857 PolarHBondContact NZ-O 3.42Å
1858V23.4Very low23.7Very low91 Ų9188.6 Ų88.655%0.55254%0.541SS*.  trans-133.484.9161.4-172.50000108.7
1859Q23.9Very low23.5Very low84 Ų8487.5 Ų87.539%0.39352%0.524SS..  trans-105139.5173.7-81.4-167.6-22.500112.3Y437Y437-Q1859 PolarHBondContact OH-NE2 2.97Å
1860S22.8Very low23.6Very low89 Ų8992 Ų9262%0.62254%0.54SS*.  trans32.886.6151480000118.5
1861S23Very low23.4Very low97 Ų9794.5 Ų94.568%0.67855%0.547SS*.  trans-103.270.7160-660000111.3P1863S1861-P1863 WeakPolarHBondContact O-CD 3.35Å
1862L24Very low23.2Very low53 Ų5395.6 Ų95.628%0.27756%0.555SS.*  trans-98.3106177.7-85.665.1000111.1A153 A156 F1864A153-L1862 HydrophobicContact CB-CD1 3.97Å; A156-L1862 HydrophobicContact CB-CB 4.39Å; A156-L1862 HydrophobicContact CB-CD2 3.46Å; A156-L1862 VanDerWaalsContact CB-CD2 3.46Å; A156-L1862 HydrophobicContact CB-CG 3.64Å; L1862-F1864 PolarHBondContact O-N 3.31Å
1863P24.4Very low23.1Very low89 Ų8998.5 Ų98.558%0.57858%0.58SS**  trans-85.564.8-175.234.4-36.3000113.7S1861 C1865S1861-P1863 WeakPolarHBondContact O-CD 3.35Å; P1863-C1865 PolarHBondContact O-N 2.96Å
1864F23.4Very low23.2Very low58 Ų5896 Ų9625%0.25457%0.573SS.*  trans-79.979179.2-120.3-73.6000113.5A156 A159 A160 T430 L1862 S1866A156-F1864 HydrophobicContact CB-CD2 4.12Å; A156-F1864 HydrophobicContact CB-CE2 4.01Å; A156-F1864 WeakPolarHBondContact O-CE2 3.43Å; A159-F1864 HydrophobicContact CB-CE2 4.31Å; A159-F1864 HydrophobicContact CB-CZ 3.93Å; A160-F1864 VanDerWaalsContact CA-CE1 3.42Å; A160-F1864 VanDerWaalsContact CA-CZ 3.46Å; A160-F1864 HydrophobicContact CB-CD1 3.73Å; A160-F1864 HydrophobicContact CB-CD2 4.08Å; A160-F1864 HydrophobicContact CB-CE1 3.52Å; A160-F1864 HydrophobicContact CB-CE2 3.9Å; A160-F1864 HydrophobicContact CB-CG 4.03Å; A160-F1864 HydrophobicContact CB-CZ 3.62Å; A160-F1864 VanDerWaalsContact N-CZ 3.34Å; T430-F1864 HydrophobicContact CG2-CD1 4.39Å; T430-F1864 HydrophobicContact CG2-CE1 3.9Å; T430-F1864 HydrophobicContact CG2-CE2 4.07Å; T430-F1864 HydrophobicContact CG2-CZ 3.72Å; L1862-F1864 PolarHBondContact O-N 3.31Å; F1864-S1866 PolarHBondContact O-N 3.08Å
1865C22.4Very low23.3Very low73 Ų7394 Ų9449%0.49357%0.571SS.*  trans32.570.2141.5-61.50000119K164 P1863K164-C1865 WeakPolarHBondContact CE-SG 3.02Å; K164-C1865 PolarHBondContact NZ-SG 2.99Å; P1863-C1865 PolarHBondContact O-N 2.96Å
1866S23.1Very low23.5Very low129 Ų12995.3 Ų95.390%0.90259%0.593SS**  trans-77.8121.6165.5-83.60000112.3F1864F1864-S1866 PolarHBondContact O-N 3.08Å
1867S20.8Very low23.8Very low74 Ų7493.1 Ų93.152%0.51760%0.599SS.*  trans-153.944.6177.91780000114K1491K1491-S1867 VanDerWaalsContact CE-O 3.24Å; K1491-S1867 WeakPolarHBondContact CE-O 3.42Å; K1491-S1867 WeakPolarHBondContact CE-OG 3.47Å; K1491-S1867 PolarHBondContact NZ-OG 3.48Å
1868I22.1Very low24Very low100 Ų10096.7 Ų96.751%0.51362%0.617SS.*SBendtrans-138.790.7164.8-106154.7000111.7K1491 K1493K1491-I1868 HydrophobicContact CG-CG1 4.24Å; K1493-I1868 HydrophobicContact CB-CG2 4.48Å; K1493-I1868 HydrophobicContact CG-CG2 3.75Å
1869F23.4Very low24.1Very low100 Ų10098.7 Ų98.744%0.43963%0.629SS.*  trans56.8118.3152.5-96.5-138.9000123.6K1491K1491-F1869 HydrophobicContact CB-CD2 4.06Å; K1491-F1869 HydrophobicContact CB-CE2 3.73Å; K1491-F1869 HydrophobicContact CB-CZ 4.38Å; K1491-F1869 HydrophobicContact CD-CD2 4.23Å; K1491-F1869 HydrophobicContact CD-CE2 3.96Å; K1491-F1869 HydrophobicContact CG-CD2 3.74Å; K1491-F1869 HydrophobicContact CG-CE2 3.74Å; K1491-F1869 WeakPolarHBondContact O-CD1 3.5Å; K1491-F1869 WeakPolarHBondContact O-CD2 3.35Å; K1491-F1869 WeakPolarHBondContact O-CE1 3.41Å; K1491-F1869 WeakPolarHBondContact O-CE2 3.43Å; K1491-F1869 WeakPolarHBondContact O-CG 3.35Å; K1491-F1869 WeakPolarHBondContact O-CZ 3.25Å
1870M23.3Very low24.2Very low153 Ų15399.2 Ų99.275%0.75465%0.648SS**  -82.8130.3128.3-72.6-70.5177.600109.8
1871D22.8Very low24.4Very low140 Ų14097.3 Ų97.375%0.74964%0.642SS**  -136.8105.8115.5-123.7-3.4000106.7
1872S23.2Very low24.7Very low74 Ų7496.7 Ų96.752%0.51764%0.638SS.*  72.759.185.4-540000114.4P1874S1872-P1874 WeakPolarHBondContact O-CD 3.43Å
1873S23.1Very low24.8Very low119 Ų11999.1 Ų99.183%0.83266%0.659SS**  trans-66.7120.3152.8-73.90000109.3
1874P26.7Very low25.1Very low112 Ų11297 Ų9773%0.72765%0.654SS**  trans-94.7116-17634-29000112.1S1872S1872-P1874 WeakPolarHBondContact O-CD 3.43Å
1875G25.6Very low25.3Very low77 Ų7799.2 Ų99.279%0.79467%0.672SS**  trans74.4160.1177.700000113.9
1876G26.7Very low25.6Very low76 Ų7698.7 Ų98.778%0.78468%0.679SS**  cis149.8140.14.100000109.2
1877G29.3Very low25.9Very low65 Ų6597.8 Ų97.867%0.6767%0.668SS**  trans81.3115.5-156.500000109
1878I27.7Very low26.3Very low178 Ų178100.3 Ų100.391%0.91368%0.681SS**  69132.255.7-53.1175.7000111.1
1879V25.2Very low26.7Very low132 Ų132101.6 Ų101.680%0.869%0.689SS**  trans-61.2159.3-167.4175.40000113.2
1880A25.4Very low26.9Very low95 Ų95102.4 Ų102.479%0.78570%0.702SS**  trans-48.1164170.100000114.5
1881G27.7Very low27.1Very low49 Ų49100.4 Ų100.451%0.50570%0.699SS.*  cis-171.2-170.15.800000110.3
1882S29.6Very low27.4Very low85 Ų8599.8 Ų99.859%0.59470%0.7SS**  cis-154.4174.415.2-71.20000113
1883S25.6Very low27.5Very low103 Ų103100.8 Ų100.872%0.7271%0.707SS**  trans-50.2157.5158.148.10000113
1884G29.8Very low27.8Very low45 Ų45101.5 Ų101.546%0.46471%0.706SS.*  cis-178.2-165.39.900000108.2
1885T28.2Very low27.8Very low104 Ų104101.3 Ų101.364%0.63870%0.703SS**  cis160.4132.3-1.327.70000104.4Q1382Q1382-T1885 VanDerWaalsContact NE2-CG2 3.34Å
1886G28.7Very low27.9Very low63 Ų63103.3 Ų103.365%0.64970%0.7SS**  trans151.161.2175.700000116
1887T29Very low27.7Very low109 Ų109105.9 Ų105.967%0.66970%0.701SS**  73.5105.281.2660000117.8
1888T29.8Very low27.6Very low127 Ų127108 Ų10878%0.77971%0.705SS**  trans70.3156140.763.50000119
1889N29.6Very low27.6Very low128 Ų128107.1 Ų107.168%0.68470%0.701SS**  cis-160.9149.922.1-140.1-0.2000114.9
1890T28.3Very low27.8Very low116 Ų116105.4 Ų105.471%0.71270%0.695SS**  trans60159.3152.651.10000120.3
1891T27.2Very low28.2Very low112 Ų112106.1 Ų106.169%0.68769%0.685SS**  cis-158.7162.312.1-15.10000113.5
1892T28.9Very low28.4Very low126 Ų126111 Ų11177%0.77370%0.7SS**  trans64.1155.3150.445.70000122.7
1893S26.2Very low28.3Very low95 Ų95114.8 Ų114.866%0.66471%0.713SS**  cis-178.4171.3-31.460.20000113
1894V29.2Very low28.5Very low134 Ų134114.2 Ų114.281%0.81271%0.705SS**  trans75.6150.8151.1163.20000120.5
1895T25.6Very low28.3Very low108 Ų108119 Ų11966%0.66372%0.72SS**  cis-168170.8-40.9-62.20000108.6
1896T27.4Very low28.4Very low119 Ų119122.4 Ų122.473%0.7373%0.73SS**  trans106.987.3153.666.80000121
1897T24.5Very low28.3Very low131 Ų131126 Ų12680%0.80474%0.735SS**  22.5128.7124.255.30000121.4
1898S25.6Very low28.1Very low109 Ų109125.9 Ų125.976%0.76274%0.738SS**  -165.9138.3125.339.90000114.9
1899I28.7Very low27.8Very low159 Ų159124.9 Ų124.982%0.81574%0.737SS**  trans65.9131.2144.6-63.3167.9000120.1
1900S28.4Very low27.8Very low97 Ų97123.7 Ų123.768%0.67874%0.739SS**  trans-41.7143.2173.152.20000117.1N1902S1900-N1902 PolarHBondContact O-N 3.46Å
1901D34.6Very low27.7Very low110 Ų110125 Ų12559%0.58874%0.74SS**  trans-57.7126.5170.4-54.2-32.3000112.6T1904D1901-T1904 HydrophobicContact CB-CG2 4.44Å; D1901-T1904 WeakPolarHBondContact CB-OG1 3.32Å; D1901-T1904 WeakPolarHBondContact OD2-CB 3.28Å; D1901-T1904 WeakPolarHBondContact OD2-CG2 3.34Å; D1901-T1904 PolarHBondContact OD2-OG1 2.99Å
1902N31Very low27.7Very low151 Ų151125.5 Ų125.581%0.80774%0.738SS**SBendtrans-105.6109.7148.2-83.1-38.5000107S1900S1900-N1902 PolarHBondContact O-N 3.46Å
1903N27.4Very low27.6Very low165 Ų165124.6 Ų124.688%0.88274%0.736SS**SBendtrans8459.6-176-44.9-52.4000116.9L1905N1903-L1905 PolarHBondContact O-N 3.49Å
1904T30.4Very low27.9Very low90 Ų90125.3 Ų125.355%0.55274%0.737SS**  trans-71.2123.7167.3-17.40000112D1901 M1906D1901-T1904 HydrophobicContact CB-CG2 4.44Å; D1901-T1904 WeakPolarHBondContact CB-OG1 3.32Å; D1901-T1904 WeakPolarHBondContact OD2-CB 3.28Å; D1901-T1904 WeakPolarHBondContact OD2-CG2 3.34Å; D1901-T1904 PolarHBondContact OD2-OG1 2.99Å; T1904-M1906 PolarHBondContact O-N 3.31Å
1905L26.7Very low27.8Very low146 Ų146124.7 Ų124.776%0.76473%0.725SS**  trans-92.882.5173.5-159.884.2000111N1903 N1907N1903-L1905 PolarHBondContact O-N 3.49Å; L1905-N1907 PolarHBondContact O-N 3.35Å
1906M28.8Very low28Very low175 Ų175127.9 Ų127.986%0.86273%0.73SS**  trans-81.1102.8165.4-83.6-156.9176.900110.4T1904 S1908T1904-M1906 PolarHBondContact O-N 3.31Å; M1906-S1908 PolarHBondContact O-N 2.91Å
1907N27.5Very low28Very low138 Ų138129 Ų12974%0.73873%0.731SS**  trans-81.6110.4172.5-90.6-38.2000110.8L1905L1905-N1907 PolarHBondContact O-N 3.35Å
1908S23.9Very low28.2Very low107 Ų107128.5 Ų128.575%0.74872%0.723SS**  trans-144.9111.4168.1-77.60000111.2M1906M1906-S1908 PolarHBondContact O-N 2.91Å
1909S24.1Very low28.2Very low106 Ų106127.5 Ų127.574%0.74172%0.715SS**  trans52.675.9148.3-550000119.5
1910S28.7Very low28.1Very low104 Ų104122.7 Ų122.773%0.72770%0.698SS**  68.3179.8126.271.40000119.9
1911I26.7Very low28Very low144 Ų144122.5 Ų122.574%0.73869%0.693SS**  trans68.6113168.3-51.8151.1000116.2
1912L27.6Very low27.6Very low122 Ų122123.1 Ų123.164%0.63970%0.695SS**  -158.9128.2122.7-132.153.6000108.3T1914L1912-T1914 HydrophobicContact CD2-CG2 4.47Å; L1912-T1914 HydrophobicContact CG-CG2 4.13Å
1913S27.8Very low27.4Very low106 Ų106122.8 Ų122.874%0.74169%0.693SS**SBend-167147.274.430.40000110.5
1914T30.9Very low27.2Very low111 Ų111119.6 Ų119.668%0.68168%0.684SS**  cis-166.9159.1-6.821.50000107.6L1912L1912-T1914 HydrophobicContact CD2-CG2 4.47Å; L1912-T1914 HydrophobicContact CG-CG2 4.13Å
1915Q28.2Very low26.9Very low121 Ų121120.6 Ų120.657%0.56570%0.695SS**  cis-175.9173.5-19.4-166.6172.725.500109.9
1916K29.6Very low26.8Very low175 Ų175118.5 Ų118.576%0.76169%0.692SS**  trans92.4106.1164.3-55.8-178.1-178.8-179.50114
1917N27.9Very low26.7Very low142 Ų142116.6 Ų116.676%0.75968%0.684SS**  80.614462.9-62.715.5000110.8
1918I28Very low26.5Very low121 Ų121117.8 Ų117.862%0.62169%0.685SS**  cis-133165.329.3-65.8167.3000111.9F1050F1050-I1918 HydrophobicContact CB-CG2 4.07Å
1919C24.4Very low26.6Very low88 Ų88117.3 Ų117.360%0.59568%0.681SS**  trans-82.8164.7-173.9-40.30000115.1S1051S1051-C1919 WeakPolarHBondContact CB-O 3.5Å
1920A26.7Very low26.6Very low57 Ų57120.5 Ų120.547%0.47169%0.69SS.*  trans-173120.9141.500000116.1F1050F1050-A1920 HydrophobicContact CD1-CB 3.86Å; F1050-A1920 HydrophobicContact CE1-CB 4.21Å
1921V28.1Very low26.4Very low94 Ų94120.3 Ų120.357%0.5769%0.689SS**  trans58.5122.1143.2-165.90000121.7L1053L1053-V1921 HydrophobicContact CD1-CB 4.02Å; L1053-V1921 HydrophobicContact CD1-CG1 3.95Å; L1053-V1921 HydrophobicContact CD1-CG2 3.74Å
1922I25.1Very low26.2Very low123 Ų123119 Ų11963%0.63169%0.688SS**  trans-82.5140.9170.6-68.2151000110.8
1923N26.3Very low26.1Very low143 Ų143121.6 Ų121.677%0.76570%0.701SS**  -170.9168.5115.5-124.1-45.3000115.9
1924S23.8Very low26.1Very low98 Ų98120.7 Ų120.769%0.68570%0.7SS**  trans-103.8144.5-167.160.70000115.6
1925S24.8Very low25.8Very low112 Ų112123.1 Ų123.178%0.78371%0.709SS**  -174.7130.9121.833.40000115.2
1926S24.5Very low25.6Very low102 Ų102122.4 Ų122.471%0.71371%0.706SS**  trans23.7161.1141.279.40000125.8
1927I25.7Very low25.4Very low134 Ų134122.7 Ų122.769%0.68771%0.714SS**  trans79.396.7155.1-63.2165.7000119.1
1928H24.1Very low25.2Very low164 Ų164120.5 Ų120.576%0.75971%0.709SS**  trans51.3114.8134.9-75.9-64.6000123.7
1929S24.6Very low24.9Very low96 Ų96121.1 Ų121.167%0.67172%0.719SS**  74.1115.8121-57.60000119.6
1930N24.1Very low25Very low174 Ų174122.5 Ų122.593%0.9373%0.729SS**  -148.6145.1111-113.2-44.2000112.2
1931S24.9Very low24.8Very low100 Ų100124.7 Ų124.770%0.69974%0.737SS**  trans-122.5126.7-178.967.90000111.2
1932T23.9Very low24.6Very low116 Ų116130.4 Ų130.471%0.71276%0.755SS**  trans169.897.5138.630.80000110K714K714-T1932 PolarHBondContact NZ-OG1 3.21Å
1933L24.6Very low24.6Very low176 Ų176128.3 Ų128.392%0.92176%0.763SS**  trans-134.587.4168.2-163.3166.4000109.2
1934A28.3Very low24.5Very low87 Ų87125.1 Ų125.172%0.71977%0.765SS**  trans177.691.8158.800000109.8
1935N23.6Very low24.5Very low163 Ų163128.5 Ų128.587%0.87278%0.775SS**  trans174.985.7136.2-96.97.1000110.4
1936E23.6Very low24.7Very low106 Ų106134.5 Ų134.550%0.49578%0.782SS.*  -169.1120.5120-106.7-177.5162.100108.5K732K732-E1936 VanDerWaalsContact CE-OE1 3.24Å; K732-E1936 WeakPolarHBondContact CE-OE1 3.47Å; K732-E1936 IonicContact NZ-OE1 3.7Å; K732-E1936 PolarHBondContact NZ-OE1 3.41Å
1937L25.6Very low24.8Very low180 Ų180133 Ų13394%0.94278%0.783SS**  trans-143.2126.7153.7-141.2170.8000105.5
1938C24.4Very low24.9Very low96 Ų96132.9 Ų132.965%0.64979%0.788SS**  trans-98175.6-144.8-61.70000115.2
1939T22.3Very low25Very low134 Ų134131.7 Ų131.782%0.82279%0.787SS**  trans-74.2142.6179.238.60000114.5
1940S25.1Very low25.1Very low117 Ų117134.1 Ų134.182%0.81879%0.792SS**  trans-149.3131.9141.245.10000106.3
1941T23.7Very low25.3Very low104 Ų104131.4 Ų131.464%0.63878%0.782SS**  cis100136.816.1-48.40000113.6
1942F24Very low25.3Very low213 Ų213131.3 Ų131.393%0.93478%0.781SS**  trans81.3151-179.8-66.3-76000119.4
1943G23.9Very low25.6Very low79 Ų79131.4 Ų131.481%0.81478%0.781SS**  trans126.991.1164.500000114.7
1944G24.5Very low25.8Very low77 Ų77129 Ų12979%0.79477%0.774SS**  trans-81.3164.117300000113.4Y1946G1944-Y1946 PolarHBondContact O-N 3.08Å
1945N25.1Very low26Very low169 Ų169130.7 Ų130.790%0.90478%0.778SS**  trans-72.6123.2174.3-89.9-1.7000111.9
1946Y28.9Very low26.8Very low237 Ų237128 Ų12893%0.92977%0.769SS**  trans-112144.1139.3-85.6-87.7000107.3G1944G1944-Y1946 PolarHBondContact O-N 3.08Å
1947G26.4Very low26.8Very low70 Ų70128.5 Ų128.572%0.72278%0.78SS**  trans-162.8117.6-177.700000114.1
1948T26.9Very low26.7Very low132 Ų132125.8 Ų125.881%0.8177%0.771SS**  trans-168.5148.4172.83.70000106.5
1949L26.9Very low26.7Very low140 Ų140127.4 Ų127.473%0.73378%0.778SS**  cis-141148.515-91.1164000111.2
1950L25.9Very low26.8Very low147 Ų147125.3 Ų125.377%0.7777%0.769SS**  trans62.4155144.5-63.6169.4000119.6
1951T29Very low26.8Very low117 Ų117126.9 Ų126.972%0.71877%0.768SS**  cis-125.6131.1747.30000113.4
1952S25.6Very low26.8Very low97 Ų97127.5 Ų127.568%0.67878%0.775SS**  trans33.9146.213372.70000122.2
1953T30.1Very low26.9Very low118 Ų118122.1 Ų122.172%0.72476%0.764SS**  cis-150.3138.228.443.30000114.9
1954T28.5Very low27.1Very low126 Ų126123.2 Ų123.277%0.77376%0.759SS**  trans39.7125.914259.80000123.9
1955P30.9Very low27.2Very low122 Ų122125.7 Ų125.779%0.79276%0.759SS**  trans-107.3-141.4155.531.4-11.9000111.2
1956P42.3Very low27.4Very low106 Ų106122.3 Ų122.369%0.68875%0.749SS**  -125.2-162.2-87.438-19.9000114.6
1957T23.5Very low27.5Very low118 Ų118117.1 Ų117.172%0.72474%0.741SS**  trans112.8125.6154.166.80000121.1
1958T23.4Very low27.6Very low123 Ų123122.2 Ų122.276%0.75574%0.744SS**  trans68.1150142.949.30000124.1
1959T23.6Very low27.7Very low130 Ų130120.4 Ų120.480%0.79873%0.732SS**  trans94.9134.2162.666.50000120.6
1960S24.1Very low27.8Very low90 Ų90119.4 Ų119.463%0.62973%0.732SS**  trans54.9119.8150.2510000122.7
1961D25.6Very low28Very low150 Ų150117.5 Ų117.580%0.80273%0.727SS**  74.999.1123.7-51.2-15.2000121.9
1962C23.8Very low27.9Very low116 Ų116117.7 Ų117.778%0.78473%0.728SS**  39.7120121.4-64.90000121.7
1963S25.5Very low27.9Very low100 Ų100118.5 Ų118.570%0.69973%0.729SS**  trans62.898.7134.8630000120.4
1964S27.6Very low27.6Very low103 Ų103120.9 Ų120.972%0.7273%0.732SS**  67155112.182.80000119.7
1965T28.4Very low27.4Very low128 Ų128120.4 Ų120.479%0.78573%0.729SS**  cis-152.4-178.911.6-13.50000107.6
1966S29.5Very low27Very low99 Ų99119.3 Ų119.369%0.69272%0.724SS**  cis-164.3-162.92.9-163.30000109.3
1967V29.1Very low26.2Very low127 Ų127124.2 Ų124.277%0.7774%0.735SS**  trans75135.1150.9158.40000118.5
1968K30.4Very low26.2Very low178 Ų178124.2 Ų124.277%0.77474%0.735SS**  cis178155.8-22-117.8-163.2168.8-172.60106.8
1969T28.5Very low26.3Very low93 Ų93125.1 Ų125.157%0.57174%0.741SS**  cis-163.7129-14.70.70000110
1970T29.1Very low26.2Very low120 Ų120123.8 Ų123.874%0.73674%0.736SS**  trans60.4177.8137.9630000119.8
1971T28.6Very low26.2Very low106 Ų106125.8 Ų125.865%0.6575%0.745SS**  cis-158.3137.214.5-19.80000114
1972T27.5Very low26.1Very low121 Ų121123.4 Ų123.474%0.74274%0.74SS**  trans52.6157.3145.152.50000122
1973T26.4Very low26.1Very low115 Ų115123.9 Ų123.971%0.70674%0.74SS**  cis-148.9163.415.9-22.20000113.7
1974E23Very low26.1Very low168 Ų168124.9 Ų124.979%0.78574%0.736SS**  trans86.9142.5146.8-94.9174.4-12300124.6
1975T24.7Very low25.9Very low115 Ų115125.3 Ų125.371%0.70673%0.734SS**  trans56.778.8160.8570000121.6
1976S22.7Very low25.8Very low99 Ų99125.9 Ų125.969%0.69272%0.723SS**  27.6118.4123.161.30000120.7
1977F26Very low25.9Very low210 Ų210123.2 Ų123.292%0.92170%0.703SS**  -137.9129.6130-102.5-73.8000111.1
1978T23.2Very low26Very low118 Ų118117.3 Ų117.372%0.72467%0.667SS**  trans-83.1135.2179.642.10000111.2
1979T24.9Very low26.3Very low142 Ų142109.6 Ų109.687%0.87163%0.633SS**  trans-111.682.1157.6-52.20000108.1T1981T1979-T1981 PolarHBondContact O-N 3.35Å; T1979-T1981 VanDerWaalsContact O-N 3.15Å
1980S22.5Very low26.5Very low101 Ų101109.8 Ų109.871%0.70662%0.623SS**  trans-75.797.7-176.9390000111.7S1982S1980-S1982 PolarHBondContact O-N 3.33Å; S1980-S1982 VanDerWaalsContact O-N 3.08Å
1981T24.1Very low26.9Very low133 Ų133107.3 Ų107.382%0.81660%0.604SS**  trans-63109.5159.944.60000108.6T1979 T1983T1979-T1981 PolarHBondContact O-N 3.35Å; T1979-T1981 VanDerWaalsContact O-N 3.15Å; T1981-T1983 PolarHBondContact O-N 2.97Å
1982S23.1Very low27.3Very low99 Ų99105 Ų10569%0.69259%0.587SS**  trans-65.7104-162.457.30000114.1S1980 I1984S1980-S1982 PolarHBondContact O-N 3.33Å; S1980-S1982 VanDerWaalsContact O-N 3.08Å; S1982-I1984 PolarHBondContact O-N 2.94Å
1983T24.2Very low28Very low127 Ų127100.9 Ų100.978%0.77956%0.564SS**  trans-63.3108.9155.146.80000108.6T1981 T1985T1981-T1983 PolarHBondContact O-N 2.97Å; T1983-T1985 PolarHBondContact O-N 3.47Å
1984I23.7Very low28.7Very low120 Ų120101 Ų10162%0.61557%0.569SS**  trans-70.1106.1178.8-63.2176.4000108.5S1982 Y1986S1982-I1984 PolarHBondContact O-N 2.94Å; I1984-Y1986 HydrophobicContact CB-CE2 4.26Å; I1984-Y1986 HydrophobicContact CG2-CD2 4.33Å; I1984-Y1986 HydrophobicContact CG2-CE2 3.94Å; I1984-Y1986 WeakPolarHBondContact O-CD2 3.1Å; I1984-Y1986 PolarHBondContact O-N 3.09Å
1985T24Very low30.2Very low112 Ų11295.7 Ų95.769%0.68755%0.546SS*.  trans-69.5112.2171.241.20000109.8T1983 R2067T1983-T1985 PolarHBondContact O-N 3.47Å; T1985-R2067 PolarHBondContact O-NH2 3.26Å
1986Y27.6Very low31.3Very low140 Ų14093.3 Ų93.355%0.54954%0.544SS..  trans-71.6157.3170.5-73.8-97.4000109.4I1984I1984-Y1986 HydrophobicContact CB-CE2 4.26Å; I1984-Y1986 HydrophobicContact CG2-CD2 4.33Å; I1984-Y1986 HydrophobicContact CG2-CE2 3.94Å; I1984-Y1986 WeakPolarHBondContact O-CD2 3.1Å; I1984-Y1986 PolarHBondContact O-N 3.09Å
1987V30Very low33.4Very low43 Ų4391.8 Ų91.826%0.26153%0.526SS..  trans-137.3126.9-173.8167.30000107W1989V1987-W1989 VanDerWaalsContact CG1-NE1 3.27Å
1988Q32.3Very low35.6Very low3 Ų382.5 Ų82.51%0.01449%0.486CS..  -132.3106-126.2172-172.3-10.300112.8F2006 I2015 Y2017Q1988-F2006 HydrophobicContact CB-CE2 4.06Å; Q1988-F2006 HydrophobicContact CB-CZ 3.99Å; Q1988-F2006 HydrophobicContact CG-CE2 4.25Å; Q1988-F2006 HydrophobicContact CG-CZ 4.02Å; Q1988-F2006 WeakPolarHBondContact O-CZ 2.94Å; Q1988-I2015 VanDerWaalsContact CD-C 3.48Å; Q1988-I2015 PolarHBondContact NE2-O 2.69Å; Q1988-I2015 VanDerWaalsContact NE2-O 3.16Å; Q1988-I2015 PolarHBondContact OE1-O 3.29Å; Q1988-Y2017 HydrophobicContact CG-CD2 3.58Å; Q1988-Y2017 HydrophobicContact CG-CE2 4.27Å; Q1988-Y2017 HydrophobicContact CG-CG 3.93Å; Q1988-Y2017 VanDerWaalsContact CG-N 3.28Å
1989W36Very low38.2Very low17 Ų1777.4 Ų77.46%0.06445%0.454CS..  trans-154.7144.7-163.3-58.3106000115.8V1987 F2000 L2001 H2002 F2006 C2018V1987-W1989 VanDerWaalsContact CG1-NE1 3.27Å; W1989-F2000 HydrophobicContact CB-CB 4.05Å; W1989-F2000 HydrophobicContact CB-CD1 3.39Å; W1989-F2000 HydrophobicContact CB-CE1 4.01Å; W1989-F2000 HydrophobicContact CB-CG 3.88Å; W1989-F2000 AromaticContact CD1-CD1 3.7Å; W1989-F2000 HydrophobicContact CG-CB 3.8Å; W1989-F2000 AromaticContact CG-CD1 3.76Å; W1989-F2000 HydrophobicContact CG-CD1 3.76Å; W1989-F2000 HydrophobicContact CG-CG 4.13Å; W1989-L2001 HydrophobicContact CD2-CB 4.41Å; W1989-L2001 HydrophobicContact CE3-CB 3.65Å; W1989-L2001 HydrophobicContact CH2-CB 3.88Å; W1989-L2001 HydrophobicContact CH2-CD2 3.61Å; W1989-L2001 HydrophobicContact CH2-CG 4.32Å; W1989-L2001 VanDerWaalsContact CZ2-C 3.46Å; W1989-L2001 HydrophobicContact CZ3-CB 3.33Å; W1989-L2001 HydrophobicContact CZ3-CD2 3.47Å; W1989-L2001 VanDerWaalsContact CZ3-CD2 3.47Å; W1989-L2001 HydrophobicContact CZ3-CG 3.96Å; W1989-H2002 VanDerWaalsContact CE2-N 3.32Å; W1989-H2002 VanDerWaalsContact CZ2-CA 3.48Å; W1989-F2006 HydrophobicContact CE3-CE1 4.22Å; W1989-F2006 AromaticContact CH2-CD1 3.44Å; W1989-F2006 HydrophobicContact CH2-CD1 3.44Å; W1989-F2006 VanDerWaalsContact CH2-CD1 3.44Å; W1989-F2006 AromaticContact CH2-CE1 3.03Å; W1989-F2006 HydrophobicContact CH2-CE1 3.03Å; W1989-F2006 HydrophobicContact CH2-CE2 4.38Å; W1989-F2006 HydrophobicContact CH2-CG 4.31Å; W1989-F2006 AromaticContact CH2-CZ 3.58Å; W1989-F2006 HydrophobicContact CH2-CZ 3.58Å; W1989-F2006 HydrophobicContact CZ2-CD1 4.33Å; W1989-F2006 AromaticContact CZ2-CE1 3.85Å; W1989-F2006 HydrophobicContact CZ2-CE1 3.85Å; W1989-F2006 HydrophobicContact CZ2-CE2 4.47Å; W1989-F2006 AromaticContact CZ2-CZ 3.92Å; W1989-F2006 HydrophobicContact CZ2-CZ 3.92Å; W1989-F2006 AromaticContact CZ3-CD1 3.96Å; W1989-F2006 HydrophobicContact CZ3-CD1 3.96Å; W1989-F2006 AromaticContact CZ3-CE1 3.26Å; W1989-F2006 HydrophobicContact CZ3-CE1 3.26Å; W1989-F2006 AromaticContact CZ3-CZ 3.92Å; W1989-F2006 HydrophobicContact CZ3-CZ 3.92Å; W1989-C2018 PolarHBondContact N-SG 2.96Å; W1989-C2018 PolarHBondContact O-SG 2.89Å
1990R33.5Very low40.7Very low97 Ų9770.8 Ų70.837%0.36641%0.413SS..  trans-170131131.7-108173.5-157.2-163.310.2114.9V1998 F2000 F2068R1990-V1998 HydrophobicContact CG-CG1 3.85Å; R1990-F2000 HydrophobicContact CG-CZ 4.41Å; R1990-F2068 PolarHBondContact NH2-O 3.48Å
1991M36.5Very low43.3Very low68 Ų6866.3 Ų66.334%0.33538%0.381SS..  trans4498.9142-163.9177.486.900120H1997 V1998 Y1999 F2042M1991-H1997 WeakPolarHBondContact CG-O 3.45Å; M1991-V1998 HydrophobicContact CB-CG1 4.29Å; M1991-V1998 HydrophobicContact SD-CB 4.5Å; M1991-V1998 HydrophobicContact SD-CG2 3.91Å; M1991-Y1999 PolarHBondContact N-O 3.48Å; M1991-F2042 HydrophobicContact CE-CE2 4.37Å; M1991-F2042 HydrophobicContact CE-CZ 4.37Å
1992L37.3Very low45.9Very low56 Ų5662.5 Ų62.529%0.29335%0.354SS..  trans-129.6114.6143.7-85.9154000107.5F1752 F2048F1752-L1992 HydrophobicContact CB-CB 4.06Å; F1752-L1992 HydrophobicContact CB-CD1 3.75Å; F1752-L1992 HydrophobicContact CB-CD2 4.43Å; F1752-L1992 HydrophobicContact CB-CG 4.29Å; F1752-L1992 VanDerWaalsContact O-CB 3.29Å; F1752-L1992 WeakPolarHBondContact O-CB 3.37Å; F1752-L1992 VanDerWaalsContact O-CD1 3.27Å; F1752-L1992 WeakPolarHBondContact O-CD1 3.21Å; L1992-F2048 HydrophobicContact CD1-CD1 3.82Å; L1992-F2048 HydrophobicContact CD1-CE1 3.77Å; L1992-F2048 HydrophobicContact CD2-CE1 4.48Å
1993S43.5Very low48.3Very low36 Ų3659.6 Ų59.625%0.25233%0.329SS..  trans-166.4144.6174.9178.10000110D1995 Y1999S1993-D1995 VanDerWaalsContact C-N 3.33Å; S1993-D1995 WeakPolarHBondContact CB-OD1 2.91Å; S1993-D1995 PolarHBondContact OG-N 2.8Å; S1993-D1995 PolarHBondContact OG-OD1 3.29Å; S1993-Y1999 WeakPolarHBondContact OG-CE2 3.37Å
1994S39.6Very low50.9Low116 Ų11658.1 Ų58.181%0.81132%0.317SS*.THydrogen-bonded Turntrans-75.6-14.5177.347.10000114.3G1996S1994-G1996 VanDerWaalsContact C-N 3.35Å; S1994-G1996 PolarHBondContact O-N 3.03Å
1995D54.1Low53.5Low58 Ų5853 Ų5331%0.3129%0.29SS..THydrogen-bonded Turntrans-84.6-0.3-177.276.4-17.3000115.1S1993 H1997 Y1999 K2056S1993-D1995 VanDerWaalsContact C-N 3.33Å; S1993-D1995 WeakPolarHBondContact CB-OD1 2.91Å; S1993-D1995 PolarHBondContact OG-N 2.8Å; S1993-D1995 PolarHBondContact OG-OD1 3.29Å; D1995-H1997 VanDerWaalsContact C-N 3.3Å; D1995-H1997 PolarHBondContact O-N 3.45Å; D1995-H1997 WeakPolarHBondContact OD1-CB 3.34Å; D1995-H1997 IonicContact OD1-CG 3.22Å; D1995-H1997 PolarHBondContact OD1-N 3.41Å; D1995-H1997 VanDerWaalsContact OD1-N 3.09Å; D1995-H1997 IonicContact OD2-CD2 3.04Å; D1995-H1997 PolarHBondContact OD2-CD2 3.35Å; D1995-H1997 VanDerWaalsContact OD2-CD2 3.24Å; D1995-H1997 IonicContact OD2-CG 2.74Å; D1995-Y1999 VanDerWaalsContact OD1-CE2 3.3Å; D1995-Y1999 WeakPolarHBondContact OD1-CE2 3.47Å; D1995-Y1999 PolarHBondContact OD1-OH 2.85Å; D1995-Y1999 PolarHBondContact OD2-OH 2.88Å; D1995-K2056 IonicContact OD2-NZ 3.55Å
1996G49.8Very low56.1Low64 Ų6447.6 Ų47.666%0.6626%0.258SS*.SBendtrans69.722.5-179.600000114.5S1994S1994-G1996 VanDerWaalsContact C-N 3.35Å; S1994-G1996 PolarHBondContact O-N 3.03Å
1997H66.3Low58.3Low68 Ų6849.1 Ų49.132%0.31527%0.267SS..  trans-105.2152.3175.6-66.1-8.5000112.8M1991 D1995 Y1999 Y2077M1991-H1997 WeakPolarHBondContact CG-O 3.45Å; D1995-H1997 VanDerWaalsContact C-N 3.3Å; D1995-H1997 PolarHBondContact O-N 3.45Å; D1995-H1997 WeakPolarHBondContact OD1-CB 3.34Å; D1995-H1997 IonicContact OD1-CG 3.22Å; D1995-H1997 PolarHBondContact OD1-N 3.41Å; D1995-H1997 VanDerWaalsContact OD1-N 3.09Å; D1995-H1997 IonicContact OD2-CD2 3.04Å; D1995-H1997 PolarHBondContact OD2-CD2 3.35Å; D1995-H1997 VanDerWaalsContact OD2-CD2 3.24Å; D1995-H1997 IonicContact OD2-CG 2.74Å; H1997-Y1999 HydrophobicContact CB-CE2 3.7Å; H1997-Y1999 WeakPolarHBondContact O-CD2 3.31Å; H1997-Y1999 VanDerWaalsContact O-CE2 3.27Å; H1997-Y1999 WeakPolarHBondContact O-CE2 3.38Å; H1997-Y2077 HydrophobicContact CB-CD2 3.84Å; H1997-Y2077 HydrophobicContact CB-CE2 3.73Å; H1997-Y2077 AromaticContact CD2-CE2 3.16Å; H1997-Y2077 WeakPolarHBondContact CD2-CE2 3.41Å; H1997-Y2077 AromaticContact CD2-CZ 3.63Å; H1997-Y2077 AromaticContact CG-CE2 3.59Å; H1997-Y2077 AromaticContact NE2-CE2 3.92Å; H1997-Y2077 PolarHBondContact NE2-OH 2.96Å
1998V72.4Confident60.3Low15 Ų1549.6 Ų49.69%0.09128%0.275CS..  trans-92.8123.8-178.7-170.20000111R1990 M1991 F2000 F2074 F2076 Y2077R1990-V1998 HydrophobicContact CG-CG1 3.85Å; M1991-V1998 HydrophobicContact CB-CG1 4.29Å; M1991-V1998 HydrophobicContact SD-CB 4.5Å; M1991-V1998 HydrophobicContact SD-CG2 3.91Å; V1998-F2000 HydrophobicContact CB-CE2 4.35Å; V1998-F2000 HydrophobicContact CG1-CD2 4.31Å; V1998-F2000 HydrophobicContact CG1-CE2 3.52Å; V1998-F2000 HydrophobicContact CG1-CZ 4.12Å; V1998-F2074 HydrophobicContact CB-CE1 4.09Å; V1998-F2074 HydrophobicContact CG2-CE1 3.53Å; V1998-F2074 HydrophobicContact CG2-CZ 3.58Å; V1998-F2076 HydrophobicContact CB-CB 4.34Å; V1998-F2076 WeakPolarHBondContact O-CA 3.3Å; V1998-Y2077 PolarHBondContact O-N 3.41Å
1999Y77.1Confident62.2Low10 Ų1049.7 Ų49.74%0.03928%0.276CS..EExtended strand (participates in β ladder)trans-112.6143.2-172.9-70-78.5000114.2M1991 S1993 D1995 H1997 Y2053 K2056 Y2077 V2079M1991-Y1999 PolarHBondContact N-O 3.48Å; S1993-Y1999 WeakPolarHBondContact OG-CE2 3.37Å; D1995-Y1999 VanDerWaalsContact OD1-CE2 3.3Å; D1995-Y1999 WeakPolarHBondContact OD1-CE2 3.47Å; D1995-Y1999 PolarHBondContact OD1-OH 2.85Å; D1995-Y1999 PolarHBondContact OD2-OH 2.88Å; H1997-Y1999 HydrophobicContact CB-CE2 3.7Å; H1997-Y1999 WeakPolarHBondContact O-CD2 3.31Å; H1997-Y1999 VanDerWaalsContact O-CE2 3.27Å; H1997-Y1999 WeakPolarHBondContact O-CE2 3.38Å; Y1999-Y2053 HydrophobicContact CD1-CE2 4.18Å; Y1999-Y2053 WeakPolarHBondContact CD1-OH 3.02Å; Y1999-Y2053 AromaticContact CE1-CE2 3.9Å; Y1999-Y2053 HydrophobicContact CE1-CE2 3.9Å; Y1999-Y2053 AromaticContact CE1-CZ 3.89Å; Y1999-Y2053 WeakPolarHBondContact CE1-OH 3.38Å; Y1999-K2056 HydrophobicContact CE1-CD 4.35Å; Y1999-K2056 WeakPolarHBondContact OH-CE 3.46Å; Y1999-K2056 PolarHBondContact OH-NZ 2.97Å; Y1999-Y2077 CarbonylContact C-O 3.57Å; Y1999-Y2077 WeakPolarHBondContact CA-O 3.33Å; Y1999-Y2077 HydrophobicContact CD1-CG 4.43Å; Y1999-Y2077 HydrophobicContact CE1-CD2 4.16Å; Y1999-Y2077 AromaticContact CE1-CG 3.94Å; Y1999-Y2077 HydrophobicContact CE1-CG 3.94Å; Y1999-V2079 HydrophobicContact CD1-CG2 3.63Å; Y1999-V2079 HydrophobicContact CG-CG2 4.24Å
2000F76.3Confident63.8Low4 Ų456 Ų562%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-136.6101.8-176.7-67.2-103.5000111.6W1989 R1990 V1998 F2068 L2070 F2076 Y2077 R2078 V2079W1989-F2000 HydrophobicContact CB-CB 4.05Å; W1989-F2000 HydrophobicContact CB-CD1 3.39Å; W1989-F2000 HydrophobicContact CB-CE1 4.01Å; W1989-F2000 HydrophobicContact CB-CG 3.88Å; W1989-F2000 AromaticContact CD1-CD1 3.7Å; W1989-F2000 HydrophobicContact CG-CB 3.8Å; W1989-F2000 AromaticContact CG-CD1 3.76Å; W1989-F2000 HydrophobicContact CG-CD1 3.76Å; W1989-F2000 HydrophobicContact CG-CG 4.13Å; R1990-F2000 HydrophobicContact CG-CZ 4.41Å; V1998-F2000 HydrophobicContact CB-CE2 4.35Å; V1998-F2000 HydrophobicContact CG1-CD2 4.31Å; V1998-F2000 HydrophobicContact CG1-CE2 3.52Å; V1998-F2000 HydrophobicContact CG1-CZ 4.12Å; F2000-F2068 AromaticContact CD1-CD1 3.81Å; F2000-F2068 HydrophobicContact CD1-CD1 3.81Å; F2000-F2068 AromaticContact CD1-CE1 3.98Å; F2000-F2068 HydrophobicContact CD1-CE1 3.98Å; F2000-F2068 HydrophobicContact CD1-CG 4.2Å; F2000-F2068 HydrophobicContact CE1-CB 3.74Å; F2000-F2068 AromaticContact CE1-CD1 3.43Å; F2000-F2068 HydrophobicContact CE1-CD1 3.43Å; F2000-F2068 VanDerWaalsContact CE1-CD1 3.43Å; F2000-F2068 HydrophobicContact CE1-CD2 4.34Å; F2000-F2068 HydrophobicContact CE1-CE1 4.09Å; F2000-F2068 AromaticContact CE1-CG 3.58Å; F2000-F2068 HydrophobicContact CE1-CG 3.58Å; F2000-F2068 HydrophobicContact CZ-CB 3.85Å; F2000-F2068 HydrophobicContact CZ-CD1 4.34Å; F2000-F2068 HydrophobicContact CZ-CG 4.04Å; F2000-L2070 HydrophobicContact CE2-CD1 4.1Å; F2000-L2070 HydrophobicContact CZ-CD1 4Å; F2000-F2076 HydrophobicContact CD2-CB 4.14Å; F2000-F2076 AromaticContact CD2-CD2 3.55Å; F2000-F2076 HydrophobicContact CD2-CD2 3.55Å; F2000-F2076 HydrophobicContact CD2-CE2 4.37Å; F2000-F2076 HydrophobicContact CD2-CG 4.24Å; F2000-F2076 HydrophobicContact CE2-CB 3.81Å; F2000-F2076 AromaticContact CE2-CD2 3.7Å; F2000-F2076 HydrophobicContact CE2-CD2 3.7Å; F2000-F2076 HydrophobicContact CE2-CG 4Å; F2000-F2076 HydrophobicContact CG-CD2 4.3Å; F2000-Y2077 PolarHBondContact N-O 3.14Å; F2000-R2078 HydrophobicContact CB-CG 4.38Å; F2000-R2078 CarbonylContact O-C 3.57Å; F2000-R2078 VanDerWaalsContact O-CA 3.25Å; F2000-R2078 WeakPolarHBondContact O-CA 3.32Å; F2000-V2079 PolarHBondContact O-N 3.12Å
2001L77.2Confident65.4Low6 Ų652 Ų523%0.03130%0.297CS..  trans-9714.7-153.8168.3159.6000119.8I1751 W1989 D2005 L2009 V2079 A2081I1751-L2001 HydrophobicContact CB-CD1 4.48Å; I1751-L2001 HydrophobicContact CD1-CD1 3.64Å; I1751-L2001 HydrophobicContact CG2-CD1 3.94Å; W1989-L2001 HydrophobicContact CD2-CB 4.41Å; W1989-L2001 HydrophobicContact CE3-CB 3.65Å; W1989-L2001 HydrophobicContact CH2-CB 3.88Å; W1989-L2001 HydrophobicContact CH2-CD2 3.61Å; W1989-L2001 HydrophobicContact CH2-CG 4.32Å; W1989-L2001 VanDerWaalsContact CZ2-C 3.46Å; W1989-L2001 HydrophobicContact CZ3-CB 3.33Å; W1989-L2001 HydrophobicContact CZ3-CD2 3.47Å; W1989-L2001 VanDerWaalsContact CZ3-CD2 3.47Å; W1989-L2001 HydrophobicContact CZ3-CG 3.96Å; L2001-D2005 HydrophobicContact CD2-CB 4.18Å; L2001-L2009 HydrophobicContact CD1-CD1 4.45Å; L2001-L2009 HydrophobicContact CD2-CD1 3.75Å; L2001-V2079 CarbonylContact C-O 3.54Å; L2001-V2079 VanDerWaalsContact C-O 3.24Å; L2001-V2079 HydrophobicContact CB-CB 3.79Å; L2001-V2079 HydrophobicContact CB-CG1 4.47Å; L2001-V2079 HydrophobicContact CB-CG2 4.06Å; L2001-V2079 HydrophobicContact CD1-CG1 4.38Å; L2001-V2079 HydrophobicContact CG-CB 4.22Å; L2001-V2079 HydrophobicContact CG-CG1 4.42Å; L2001-A2081 HydrophobicContact CD1-CB 3.56Å; L2001-A2081 HydrophobicContact CD2-CB 4.38Å; L2001-A2081 HydrophobicContact CG-CB 3.91Å
2002H80.2Confident66.9Low54 Ų5452 Ų5225%0.2530%0.298CS..  trans65.6127.9173.8-145.3-75.7000116.7W1989 D2004 D2005 R2078 V2079 R2080W1989-H2002 VanDerWaalsContact CE2-N 3.32Å; W1989-H2002 VanDerWaalsContact CZ2-CA 3.48Å; H2002-D2004 IonicContact CE1-OD1 3.77Å; H2002-D2004 PolarHBondContact CE1-OD1 2.81Å; H2002-D2004 IonicContact CE1-OD2 2.82Å; H2002-D2004 IonicContact ND1-OD1 3.71Å; H2002-D2004 PolarHBondContact ND1-OD1 2.78Å; H2002-D2004 IonicContact ND1-OD2 3.26Å; H2002-D2004 PolarHBondContact ND1-OD2 3.31Å; H2002-D2004 PolarHBondContact O-N 2.94Å; H2002-D2005 PolarHBondContact O-N 3.5Å; H2002-D2005 VanDerWaalsContact O-N 3.14Å; H2002-R2078 PolarHBondContact CD2-NH2 3.21Å; H2002-R2078 PolarHBondContact NE2-NH2 3.42Å; H2002-V2079 WeakPolarHBondContact CB-O 3.45Å; H2002-R2080 VanDerWaalsContact CB-CD 3.45Å; H2002-R2080 PolarHBondContact ND1-NH1 3.03Å
2003Q73.4Confident68.3Low37 Ų3752.2 Ų52.217%0.17330%0.299CS..G310 helixtrans-60.6-43.2-165.6-160.782.412.600112.9D2005 F2006 D2013Q2003-D2005 PolarHBondContact O-N 3.44Å; Q2003-F2006 HydrophobicContact CG-CD2 4.16Å; Q2003-F2006 VanDerWaalsContact NE2-CD2 3.34Å; Q2003-F2006 VanDerWaalsContact NE2-CE2 3.31Å; Q2003-F2006 VanDerWaalsContact O-CB 3.24Å; Q2003-F2006 WeakPolarHBondContact O-CB 3.42Å; Q2003-F2006 PolarHBondContact O-N 2.87Å; Q2003-D2013 PolarHBondContact NE2-O 2.9Å
2004D78.2Confident69.2Low97 Ų9758.7 Ų58.752%0.51933%0.325SS..G310 helixtrans-64-10.2-178.221.6-51000114.7H2002 R2080H2002-D2004 IonicContact CE1-OD1 3.77Å; H2002-D2004 PolarHBondContact CE1-OD1 2.81Å; H2002-D2004 IonicContact CE1-OD2 2.82Å; H2002-D2004 IonicContact ND1-OD1 3.71Å; H2002-D2004 PolarHBondContact ND1-OD1 2.78Å; H2002-D2004 IonicContact ND1-OD2 3.26Å; H2002-D2004 PolarHBondContact ND1-OD2 3.31Å; H2002-D2004 PolarHBondContact O-N 2.94Å; D2004-R2080 IonicContact OD2-CZ 3.61Å; D2004-R2080 IonicContact OD2-NH1 3.41Å; D2004-R2080 PolarHBondContact OD2-NH1 2.97Å; D2004-R2080 IonicContact OD2-NH2 2.65Å; D2004-R2080 PolarHBondContact OD2-NH2 3.02Å
2005D78.9Confident69.7Low11 Ų1156.6 Ų56.66%0.05930%0.304CS..G310 helixtrans-89.1-10.4170.3-64.7-13.7000113L2001 H2002 Q2003 A2008 L2009 R2080 A2081L2001-D2005 HydrophobicContact CD2-CB 4.18Å; H2002-D2005 PolarHBondContact O-N 3.5Å; H2002-D2005 VanDerWaalsContact O-N 3.14Å; Q2003-D2005 PolarHBondContact O-N 3.44Å; D2005-A2008 PolarHBondContact O-N 3.36Å; D2005-L2009 WeakPolarHBondContact O-CG 3.43Å; D2005-L2009 PolarHBondContact O-N 3.34Å; D2005-R2080 VanDerWaalsContact CG-NE 3.27Å; D2005-R2080 IonicContact OD1-CZ 3.42Å; D2005-R2080 VanDerWaalsContact OD1-CZ 3.3Å; D2005-R2080 IonicContact OD1-NE 3.39Å; D2005-R2080 PolarHBondContact OD1-NE 3.21Å; D2005-R2080 VanDerWaalsContact OD1-NE 3.13Å; D2005-R2080 IonicContact OD1-NH2 3.1Å; D2005-R2080 PolarHBondContact OD1-NH2 3Å; D2005-R2080 WeakPolarHBondContact OD2-CA 3.37Å; D2005-R2080 WeakPolarHBondContact OD2-CB 3.41Å; D2005-R2080 WeakPolarHBondContact OD2-CD 3.41Å; D2005-R2080 IonicContact OD2-CZ 3.63Å; D2005-R2080 IonicContact OD2-NE 2.69Å; D2005-R2080 PolarHBondContact OD2-NE 3.08Å; D2005-R2080 IonicContact OD2-NH2 3.79Å; D2005-A2081 PolarHBondContact OD2-N 2.83Å
2006F77.7Confident69.6Low0 Ų055.4 Ų55.40%030%0.298CS..THydrogen-bonded Turntrans-60.7-49.3176.3-82.9-17.2000112.7Q1988 W1989 Q2003 A2008 L2009 N2010 I2011 D2013 Y2017Q1988-F2006 HydrophobicContact CB-CE2 4.06Å; Q1988-F2006 HydrophobicContact CB-CZ 3.99Å; Q1988-F2006 HydrophobicContact CG-CE2 4.25Å; Q1988-F2006 HydrophobicContact CG-CZ 4.02Å; Q1988-F2006 WeakPolarHBondContact O-CZ 2.94Å; W1989-F2006 HydrophobicContact CE3-CE1 4.22Å; W1989-F2006 AromaticContact CH2-CD1 3.44Å; W1989-F2006 HydrophobicContact CH2-CD1 3.44Å; W1989-F2006 VanDerWaalsContact CH2-CD1 3.44Å; W1989-F2006 AromaticContact CH2-CE1 3.03Å; W1989-F2006 HydrophobicContact CH2-CE1 3.03Å; W1989-F2006 HydrophobicContact CH2-CE2 4.38Å; W1989-F2006 HydrophobicContact CH2-CG 4.31Å; W1989-F2006 AromaticContact CH2-CZ 3.58Å; W1989-F2006 HydrophobicContact CH2-CZ 3.58Å; W1989-F2006 HydrophobicContact CZ2-CD1 4.33Å; W1989-F2006 AromaticContact CZ2-CE1 3.85Å; W1989-F2006 HydrophobicContact CZ2-CE1 3.85Å; W1989-F2006 HydrophobicContact CZ2-CE2 4.47Å; W1989-F2006 AromaticContact CZ2-CZ 3.92Å; W1989-F2006 HydrophobicContact CZ2-CZ 3.92Å; W1989-F2006 AromaticContact CZ3-CD1 3.96Å; W1989-F2006 HydrophobicContact CZ3-CD1 3.96Å; W1989-F2006 AromaticContact CZ3-CE1 3.26Å; W1989-F2006 HydrophobicContact CZ3-CE1 3.26Å; W1989-F2006 AromaticContact CZ3-CZ 3.92Å; W1989-F2006 HydrophobicContact CZ3-CZ 3.92Å; Q2003-F2006 HydrophobicContact CG-CD2 4.16Å; Q2003-F2006 VanDerWaalsContact NE2-CD2 3.34Å; Q2003-F2006 VanDerWaalsContact NE2-CE2 3.31Å; Q2003-F2006 VanDerWaalsContact O-CB 3.24Å; Q2003-F2006 WeakPolarHBondContact O-CB 3.42Å; Q2003-F2006 PolarHBondContact O-N 2.87Å; F2006-A2008 PolarHBondContact O-N 3.26Å; F2006-L2009 CarbonylContact O-C 3.54Å; F2006-L2009 WeakPolarHBondContact O-CA 3.41Å; F2006-L2009 PolarHBondContact O-N 3.29Å; F2006-N2010 PolarHBondContact O-N 3.24Å; F2006-I2011 HydrophobicContact CB-CB 3.98Å; F2006-I2011 HydrophobicContact CB-CG2 4.44Å; F2006-I2011 HydrophobicContact CD1-CB 3.68Å; F2006-I2011 HydrophobicContact CD1-CD1 3.56Å; F2006-I2011 HydrophobicContact CD1-CG1 4.23Å; F2006-I2011 HydrophobicContact CD1-CG2 3.54Å; F2006-I2011 HydrophobicContact CD2-CG2 4.32Å; F2006-I2011 HydrophobicContact CE1-CB 4.24Å; F2006-I2011 HydrophobicContact CE1-CD1 4.02Å; F2006-I2011 HydrophobicContact CE1-CG2 3.58Å; F2006-I2011 HydrophobicContact CE2-CG2 4.41Å; F2006-I2011 HydrophobicContact CG-CB 3.94Å; F2006-I2011 HydrophobicContact CG-CG2 3.9Å; F2006-I2011 HydrophobicContact CZ-CG2 4.05Å; F2006-I2011 PolarHBondContact O-N 3.22Å; F2006-D2013 WeakPolarHBondContact CB-OD1 3.44Å; F2006-D2013 WeakPolarHBondContact CD2-OD1 3.5Å; F2006-Y2017 HydrophobicContact CE1-CE2 4.4Å; F2006-Y2017 HydrophobicContact CZ-CD2 4.12Å; F2006-Y2017 AromaticContact CZ-CE2 3.99Å; F2006-Y2017 HydrophobicContact CZ-CE2 3.99Å
2007K73.4Confident69.6Low172 Ų17255.1 Ų55.175%0.74828%0.277SS*.G310 helixtrans-58.1-36.7176.1-107.4-175.6178.3-178.40112.8L2009 N2010K2007-L2009 PolarHBondContact O-N 3.04Å; K2007-N2010 PolarHBondContact O-N 3.33Å
2008A72Confident68.3Low52 Ų5254.2 Ų54.243%0.4328%0.278SS..G310 helixtrans-71.5-16.8176.700000113.3D2005 F2006 P2083D2005-A2008 PolarHBondContact O-N 3.36Å; F2006-A2008 PolarHBondContact O-N 3.26Å; A2008-P2083 VanDerWaalsContact O-CD 3.27Å; A2008-P2083 WeakPolarHBondContact O-CD 3.27Å; A2008-P2083 WeakPolarHBondContact O-CG 3.07Å
2009L73.3Confident66.6Low6 Ų659.6 Ų59.63%0.03130%0.3CS..G310 helixtrans-110.14.1179.2-66.2176.9000113.1L2001 D2005 F2006 K2007 I2011 I2049 A2051 A2081 P2083L2001-L2009 HydrophobicContact CD1-CD1 4.45Å; L2001-L2009 HydrophobicContact CD2-CD1 3.75Å; D2005-L2009 WeakPolarHBondContact O-CG 3.43Å; D2005-L2009 PolarHBondContact O-N 3.34Å; F2006-L2009 CarbonylContact O-C 3.54Å; F2006-L2009 WeakPolarHBondContact O-CA 3.41Å; F2006-L2009 PolarHBondContact O-N 3.29Å; K2007-L2009 PolarHBondContact O-N 3.04Å; L2009-I2011 VanDerWaalsContact C-N 3.33Å; L2009-I2011 HydrophobicContact CB-CD1 3.53Å; L2009-I2011 HydrophobicContact CB-CG1 3.89Å; L2009-I2011 HydrophobicContact CD1-CD1 3.88Å; L2009-I2011 HydrophobicContact CG-CD1 4.37Å; L2009-I2011 PolarHBondContact O-N 3.13Å; L2009-I2049 HydrophobicContact CB-CG2 4.48Å; L2009-I2049 HydrophobicContact CD2-CG2 4.19Å; L2009-I2049 WeakPolarHBondContact O-CD1 3.37Å; L2009-A2051 HydrophobicContact CD1-CB 4.11Å; L2009-A2051 HydrophobicContact CD2-CB 3.55Å; L2009-A2081 HydrophobicContact CD1-CB 4.41Å; L2009-P2083 HydrophobicContact CD2-CB 4Å
2010N69.1Low64.4Low150 Ų15064.3 Ų64.380%0.80233%0.332SS*.THydrogen-bonded Turntrans58.439.5-176.1-153.137.4000113.8F2006 K2007F2006-N2010 PolarHBondContact O-N 3.24Å; K2007-N2010 PolarHBondContact O-N 3.33Å
2011I67.9Low61.9Low13 Ų1373.3 Ų73.37%0.06738%0.377CS..  trans-99.3138.5177.4-58.7161000109.3V1753 F2006 L2009 D2013 Y2017 I2049V1753-I2011 HydrophobicContact CB-CD1 4.17Å; V1753-I2011 HydrophobicContact CG1-CD1 3.67Å; V1753-I2011 HydrophobicContact CG1-CG1 4.31Å; V1753-I2011 HydrophobicContact CG2-CD1 4.28Å; F2006-I2011 HydrophobicContact CB-CB 3.98Å; F2006-I2011 HydrophobicContact CB-CG2 4.44Å; F2006-I2011 HydrophobicContact CD1-CB 3.68Å; F2006-I2011 HydrophobicContact CD1-CD1 3.56Å; F2006-I2011 HydrophobicContact CD1-CG1 4.23Å; F2006-I2011 HydrophobicContact CD1-CG2 3.54Å; F2006-I2011 HydrophobicContact CD2-CG2 4.32Å; F2006-I2011 HydrophobicContact CE1-CB 4.24Å; F2006-I2011 HydrophobicContact CE1-CD1 4.02Å; F2006-I2011 HydrophobicContact CE1-CG2 3.58Å; F2006-I2011 HydrophobicContact CE2-CG2 4.41Å; F2006-I2011 HydrophobicContact CG-CB 3.94Å; F2006-I2011 HydrophobicContact CG-CG2 3.9Å; F2006-I2011 HydrophobicContact CZ-CG2 4.05Å; F2006-I2011 PolarHBondContact O-N 3.22Å; L2009-I2011 VanDerWaalsContact C-N 3.33Å; L2009-I2011 HydrophobicContact CB-CD1 3.53Å; L2009-I2011 HydrophobicContact CB-CG1 3.89Å; L2009-I2011 HydrophobicContact CD1-CD1 3.88Å; L2009-I2011 HydrophobicContact CG-CD1 4.37Å; L2009-I2011 PolarHBondContact O-N 3.13Å; I2011-D2013 PolarHBondContact O-N 2.84Å; I2011-Y2017 HydrophobicContact CG2-CE2 3.53Å; I2011-I2049 HydrophobicContact CD1-CD1 4.33Å; I2011-I2049 HydrophobicContact CG1-CD1 3.63Å
2012D67.4Low59.5Low68 Ų6877.9 Ų77.936%0.36441%0.409SS..  trans-70120.7178.2-174.4-0.9000112.5H2014 I2015D2012-H2014 VanDerWaalsContact C-N 3.26Å; D2012-H2014 PolarHBondContact O-N 2.89Å; D2012-H2014 WeakPolarHBondContact OD1-CB 3.22Å; D2012-H2014 IonicContact OD1-CD2 2.9Å; D2012-H2014 PolarHBondContact OD1-CD2 3.07Å; D2012-H2014 IonicContact OD1-CG 3.77Å; D2012-H2014 PolarHBondContact OD1-N 3.28Å; D2012-I2015 HydrophobicContact CB-CD1 4.02Å; D2012-I2015 HydrophobicContact CB-CG1 4.44Å; D2012-I2015 VanDerWaalsContact OD2-CD1 3.3Å; D2012-I2015 WeakPolarHBondContact OD2-CD1 3.46Å; D2012-I2015 WeakPolarHBondContact OD2-CG1 3.23Å
2013D66.9Low56.8Low59 Ų5980.3 Ų80.332%0.31643%0.432SS..THydrogen-bonded Turntrans-66.9-17.6177.3-73.7-38.1000114Q2003 F2006 I2011Q2003-D2013 PolarHBondContact NE2-O 2.9Å; F2006-D2013 WeakPolarHBondContact CB-OD1 3.44Å; F2006-D2013 WeakPolarHBondContact CD2-OD1 3.5Å; I2011-D2013 PolarHBondContact O-N 2.84Å
2014H61.6Low54.4Low173 Ų17386.5 Ų86.580%0.80147%0.466SS*.THydrogen-bonded Turntrans-99.5-10.3-168.1-64.5-62.3000115.6D2012D2012-H2014 VanDerWaalsContact C-N 3.26Å; D2012-H2014 PolarHBondContact O-N 2.89Å; D2012-H2014 WeakPolarHBondContact OD1-CB 3.22Å; D2012-H2014 IonicContact OD1-CD2 2.9Å; D2012-H2014 PolarHBondContact OD1-CD2 3.07Å; D2012-H2014 IonicContact OD1-CG 3.77Å; D2012-H2014 PolarHBondContact OD1-N 3.28Å
2015I51.7Low51.9Low71 Ų7187.9 Ų87.936%0.36448%0.478SS..SBendtrans-82.2-179.7-179.4-69171000109.9P1756 Q1988 D2012 Y2017P1756-I2015 HydrophobicContact CB-CD1 4.09Å; P1756-I2015 HydrophobicContact CG-CD1 3.59Å; Q1988-I2015 VanDerWaalsContact CD-C 3.48Å; Q1988-I2015 PolarHBondContact NE2-O 2.69Å; Q1988-I2015 VanDerWaalsContact NE2-O 3.16Å; Q1988-I2015 PolarHBondContact OE1-O 3.29Å; D2012-I2015 HydrophobicContact CB-CD1 4.02Å; D2012-I2015 HydrophobicContact CB-CG1 4.44Å; D2012-I2015 VanDerWaalsContact OD2-CD1 3.3Å; D2012-I2015 WeakPolarHBondContact OD2-CD1 3.46Å; D2012-I2015 WeakPolarHBondContact OD2-CG1 3.23Å; I2015-Y2017 HydrophobicContact CB-CE1 4.08Å; I2015-Y2017 HydrophobicContact CG2-CD1 3.72Å; I2015-Y2017 HydrophobicContact CG2-CE1 3.42Å; I2015-Y2017 VanDerWaalsContact CG2-CE1 3.42Å
2016D50.9Low49.3Very low33 Ų3396.4 Ų96.418%0.17652%0.518CS..  trans-136.877171.1-168.1-5000112.3C2018 K2019D2016-C2018 PolarHBondContact O-N 2.95Å; D2016-C2018 VanDerWaalsContact OD1-CB 3.32Å; D2016-C2018 WeakPolarHBondContact OD1-CB 3.42Å; D2016-C2018 PolarHBondContact OD1-N 3.43Å; D2016-C2018 VanDerWaalsContact OD1-N 3.11Å; D2016-K2019 HydrophobicContact CB-CD 4.35Å; D2016-K2019 HydrophobicContact CB-CG 4.47Å; D2016-K2019 PolarHBondContact O-N 3.22Å; D2016-K2019 WeakPolarHBondContact OD2-CD 3.15Å; D2016-K2019 VanDerWaalsContact OD2-CE 3.27Å; D2016-K2019 WeakPolarHBondContact OD2-CE 3.22Å; D2016-K2019 WeakPolarHBondContact OD2-CG 3.45Å; D2016-K2019 IonicContact OD2-NZ 3.78Å; D2016-K2019 PolarHBondContact OD2-NZ 3.29Å
2017Y50.8Low46.8Very low58 Ų58105.4 Ų105.423%0.22756%0.56CS.*THydrogen-bonded Turntrans-57.4-3.8172.7-45-50.2000114.8P1756 Q1988 F2006 I2011 I2015P1756-Y2017 HydrophobicContact CB-CE1 4.44Å; P1756-Y2017 WeakPolarHBondContact CD-OH 3.41Å; P1756-Y2017 HydrophobicContact CG-CE1 3.98Å; P1756-Y2017 WeakPolarHBondContact CG-OH 3.24Å; Q1988-Y2017 HydrophobicContact CG-CD2 3.58Å; Q1988-Y2017 HydrophobicContact CG-CE2 4.27Å; Q1988-Y2017 HydrophobicContact CG-CG 3.93Å; Q1988-Y2017 VanDerWaalsContact CG-N 3.28Å; F2006-Y2017 HydrophobicContact CE1-CE2 4.4Å; F2006-Y2017 HydrophobicContact CZ-CD2 4.12Å; F2006-Y2017 AromaticContact CZ-CE2 3.99Å; F2006-Y2017 HydrophobicContact CZ-CE2 3.99Å; I2011-Y2017 HydrophobicContact CG2-CE2 3.53Å; I2015-Y2017 HydrophobicContact CB-CE1 4.08Å; I2015-Y2017 HydrophobicContact CG2-CD1 3.72Å; I2015-Y2017 HydrophobicContact CG2-CE1 3.42Å; I2015-Y2017 VanDerWaalsContact CG2-CE1 3.42Å
2018C38.6Very low44.4Very low50 Ų50103.8 Ų103.834%0.33856%0.564SS.*THydrogen-bonded Turntrans-86.2-15.9169.4-85.90000113.7W1989 D2016W1989-C2018 PolarHBondContact N-SG 2.96Å; W1989-C2018 PolarHBondContact O-SG 2.89Å; D2016-C2018 PolarHBondContact O-N 2.95Å; D2016-C2018 VanDerWaalsContact OD1-CB 3.32Å; D2016-C2018 WeakPolarHBondContact OD1-CB 3.42Å; D2016-C2018 PolarHBondContact OD1-N 3.43Å; D2016-C2018 VanDerWaalsContact OD1-N 3.11Å
2019K35.3Very low42.1Very low127 Ų127109.2 Ų109.255%0.55259%0.586SS**SBendtrans-92.1135.6179.6-76.7179.7-177.7116.50111.8D2016D2016-K2019 HydrophobicContact CB-CD 4.35Å; D2016-K2019 HydrophobicContact CB-CG 4.47Å; D2016-K2019 PolarHBondContact O-N 3.22Å; D2016-K2019 WeakPolarHBondContact OD2-CD 3.15Å; D2016-K2019 VanDerWaalsContact OD2-CE 3.27Å; D2016-K2019 WeakPolarHBondContact OD2-CE 3.22Å; D2016-K2019 WeakPolarHBondContact OD2-CG 3.45Å; D2016-K2019 IonicContact OD2-NZ 3.78Å; D2016-K2019 PolarHBondContact OD2-NZ 3.29Å
2020P31Very low39.8Very low109 Ų109113.3 Ų113.371%0.70862%0.615SS**  trans-57.4138.6155.5-16.230.5000108.9S2022P2020-S2022 VanDerWaalsContact C-N 3.34Å; P2020-S2022 PolarHBondContact O-N 3.1Å
2021M24.5Very low37.6Very low194 Ų194111.6 Ų111.696%0.95662%0.615SS**  trans-75.386.1-174.6-166.1156.36800110.6S2023M2021-S2023 PolarHBondContact O-N 3.38Å
2022S25.9Very low35.7Very low101 Ų101118.1 Ų118.171%0.70665%0.645SS**  trans-69112.5179.654.20000110.7P2020P2020-S2022 VanDerWaalsContact C-N 3.34Å; P2020-S2022 PolarHBondContact O-N 3.1Å
2023S24.6Very low33.7Very low105 Ų105122.2 Ų122.273%0.73466%0.661SS**  trans-64.8135.4166.743.50000110.4M2021 V2025M2021-S2023 PolarHBondContact O-N 3.38Å; S2023-V2025 PolarHBondContact O-N 2.97Å
2024N23.3Very low31.6Very low167 Ų167127.8 Ų127.889%0.89368%0.678SS**  trans-70.399175.8-82.8-26.4000110.4
2025V25.6Very low29.8Very low127 Ų127127.1 Ų127.177%0.7768%0.68SS**  trans-124.6135.6156.4-177.60000107.4S2023 E2027S2023-V2025 PolarHBondContact O-N 2.97Å; V2025-E2027 PolarHBondContact O-N 3.44Å
2026Q23.8Very low28.6Very low190 Ų190130 Ų13089%0.88870%0.701SS**  trans-75.9124.1-160.2-160.4163.8-7.400112.1T2028Q2026-T2028 PolarHBondContact O-N 3.46Å
2027E24.6Very low27.3Very low189 Ų189132.7 Ų132.788%0.88372%0.723SS**  trans-68.7127.1-173.4-68.7-170.6125.700113.6V2025V2025-E2027 PolarHBondContact O-N 3.44Å
2028T24Very low26.1Very low137 Ų137137.3 Ų137.384%0.8474%0.744SS**  trans-119129156.253.80000110.3Q2026Q2026-T2028 PolarHBondContact O-N 3.46Å
2029N23.9Very low25.5Very low167 Ų167139.9 Ų139.989%0.89375%0.75SS**  trans-64.8127.4-163.9-54.4-99.6000116.2
2030S24.8Very low25Very low92 Ų92140.9 Ų140.964%0.64376%0.756SS**  trans-166.2103.3132.158.40000114.8
2031S23.4Very low24.6Very low114 Ų114138.8 Ų138.880%0.79775%0.748SS**  trans13112.7150.855.90000120.8
2032H26.8Very low24.8Very low149 Ų149135.9 Ų135.969%0.6973%0.73SS**  trans-132144.7149.1-94.416000110.1
2033H25.8Very low24.7Very low154 Ų154137.2 Ų137.271%0.71374%0.736SS**  trans-137.7112.7-173.9-144.741.8000113.1
2034R23.8Very low25.1Very low176 Ų176135.6 Ų135.666%0.66473%0.729SS**  trans60.894.4156.3-64.4173.4171.7159.4-1118.2
2035N23.4Very low25.4Very low159 Ų159133.8 Ų133.885%0.8572%0.715SS**  -142.797117.3-107.1-27.9000109.1S2037N2035-S2037 PolarHBondContact O-N 2.96Å
2036V25.3Very low25.9Very low131 Ų131133.9 Ų133.979%0.79471%0.712SS**  trans-88.5105.8-175.4179.50000109.4
2037S24.4Very low26.6Very low91 Ų91132.1 Ų132.164%0.63670%0.698SS**  trans-76.9145.1169.1-171.40000110.5N2035 K2039N2035-S2037 PolarHBondContact O-N 2.96Å; S2037-K2039 PolarHBondContact O-N 3.42Å
2038F25Very low27.6Very low154 Ų154126.5 Ų126.568%0.67567%0.671SS**SBendtrans-80.231-173.7-115.7-95.2000113.6P2071 F2074F2038-P2071 HydrophobicContact CE2-CG 4.11Å; F2038-P2071 HydrophobicContact CZ-CG 4.34Å; F2038-F2074 HydrophobicContact CZ-CE2 4.49Å
2039K26.7Very low28.9Very low105 Ų105121.6 Ų121.646%0.45764%0.639SS.*  trans-114.916.2-167.6-149.9-167.4176.1-166.30114.7D161 S2037D161-K2039 IonicContact OD1-NZ 3.2Å; D161-K2039 PolarHBondContact OD1-NZ 2.95Å; S2037-K2039 PolarHBondContact O-N 3.42Å
2040E23.7Very low30.5Very low148 Ų148115.1 Ų115.169%0.69261%0.608SS**  trans-128.643.1-175.6-76.2-173.1151.200114.3R282R282-E2040 IonicContact CZ-OE1 3.96Å; R282-E2040 IonicContact NE-OE1 2.81Å; R282-E2040 IonicContact NH2-OE1 2.71Å; R282-E2040 PolarHBondContact NH2-OE1 3.49Å
2041A24.3Very low32.7Very low65 Ų65110.7 Ų110.754%0.53758%0.578SS.*  trans-119.115616100000109.5
2042F26.9Very low35.1Very low133 Ų133108.1 Ų108.158%0.58355%0.551SS**  trans72.969.3173.2-40-68.7000118.1M1991M1991-F2042 HydrophobicContact CE-CE2 4.37Å; M1991-F2042 HydrophobicContact CE-CZ 4.37Å
2043P24.9Very low37.2Very low128 Ų128102.6 Ų102.683%0.83152%0.524SS*.  -73.4112.6128.332.3-24.2000107.8
2044A32.6Very low39.8Very low71 Ų71102.3 Ų102.359%0.58752%0.52SS*.  trans-130.8110.7-176.300000110.8
2045H30Very low42.4Very low129 Ų12997 Ų9760%0.59751%0.51SS*.  trans-77.6161.1169.1-60.9-65.3000110.8
2046N35Very low45.1Very low130 Ų13093.6 Ų93.670%0.69549%0.488SS*.SBendtrans-67.4132.7-174.5-62-38.4000112.6
2047Y39.2Very low47.8Very low153 Ų15392.4 Ų92.460%0.647%0.474SS*.  trans165.7131.1134.4-83.4-54.7000108P1754 V1755P1754-Y2047 WeakPolarHBondContact CA-O 3.2Å; V1755-Y2047 PolarHBondContact N-O 3Å
2048F46.7Very low50.8Low70 Ų7095.8 Ų95.831%0.30747%0.472SS..EExtended strand (participates in β ladder)trans-130.5131-173.6-57.7-71000112.9F1752 V1753 P1754 L1992F1752-F2048 HydrophobicContact CB-CB 4.15Å; F1752-F2048 HydrophobicContact CB-CD1 4.19Å; F1752-F2048 HydrophobicContact CB-CG 4.31Å; F1752-F2048 HydrophobicContact CD1-CB 3.91Å; F1752-F2048 HydrophobicContact CD1-CG 4.45Å; F1752-F2048 HydrophobicContact CG-CB 4.49Å; V1753-F2048 WeakPolarHBondContact O-CA 3.38Å; P1754-F2048 HydrophobicContact CB-CD1 4.44Å; P1754-F2048 HydrophobicContact CB-CE1 4.3Å; L1992-F2048 HydrophobicContact CD1-CD1 3.82Å; L1992-F2048 HydrophobicContact CD1-CE1 3.77Å; L1992-F2048 HydrophobicContact CD2-CE1 4.48Å
2049I51.5Low53.8Low35 Ų3589.6 Ų89.618%0.17945%0.448CS..EExtended strand (participates in β ladder)trans-85.4133.5167.3-59.3142.4000108.9F1752 V1753 V1755 L2009 I2011F1752-I2049 CarbonylContact C-O 3.47Å; F1752-I2049 VanDerWaalsContact CA-O 3.26Å; F1752-I2049 WeakPolarHBondContact CA-O 3.33Å; V1753-I2049 PolarHBondContact N-O 2.99Å; V1753-I2049 PolarHBondContact O-N 3.13Å; V1755-I2049 HydrophobicContact CG2-CD1 3.49Å; V1755-I2049 VanDerWaalsContact CG2-CD1 3.49Å; V1755-I2049 HydrophobicContact CG2-CG1 3.69Å; L2009-I2049 HydrophobicContact CB-CG2 4.48Å; L2009-I2049 HydrophobicContact CD2-CG2 4.19Å; L2009-I2049 WeakPolarHBondContact O-CD1 3.37Å; I2011-I2049 HydrophobicContact CD1-CD1 4.33Å; I2011-I2049 HydrophobicContact CG1-CD1 3.63Å
2050A57.4Low56.7Low30 Ų3088.8 Ų88.825%0.24845%0.448CS..EExtended strand (participates in β ladder)trans-93.8124.1172.100000111.4V1750 L2084V1750-A2050 HydrophobicContact CG1-CB 3.98Å; A2050-L2084 HydrophobicContact CB-CD1 3.83Å; A2050-L2084 PolarHBondContact O-N 2.71Å
2051A70.8Confident59.7Low0 Ų082 Ų820%042%0.417CS..EExtended strand (participates in β ladder)trans-128.9140.1-17700000112V1750 I1751 L2009 A2081 R2082V1750-A2051 WeakPolarHBondContact CA-O 3.5Å; I1751-A2051 HydrophobicContact CB-CB 4.45Å; I1751-A2051 PolarHBondContact N-O 2.86Å; I1751-A2051 PolarHBondContact O-N 3.27Å; L2009-A2051 HydrophobicContact CD1-CB 4.11Å; L2009-A2051 HydrophobicContact CD2-CB 3.55Å; A2051-A2081 HydrophobicContact CB-CB 4.22Å; A2051-R2082 CarbonylContact C-O 3.54Å; A2051-R2082 VanDerWaalsContact CA-O 3.32Å; A2051-R2082 WeakPolarHBondContact CA-O 3.42Å; A2051-R2082 WeakPolarHBondContact CB-O 3.42Å
2052R72.4Confident62.5Low60 Ų6086.8 Ų86.823%0.22643%0.426CS..EExtended strand (participates in β ladder)trans-85.9134173.1-168.1-174.5-75.5-145.20.3110.3D1748 A2081 R2082D1748-R2052 WeakPolarHBondContact OD1-CD 3.3Å; D1748-R2052 IonicContact OD1-CZ 3.44Å; D1748-R2052 IonicContact OD1-NE 2.76Å; D1748-R2052 PolarHBondContact OD1-NE 3.24Å; D1748-R2052 IonicContact OD1-NH1 2.75Å; D1748-R2052 PolarHBondContact OD1-NH1 2.92Å; D1748-R2052 IonicContact OD1-NH2 3.55Å; D1748-R2052 IonicContact OD2-CZ 3.72Å; D1748-R2052 IonicContact OD2-NE 3.05Å; D1748-R2052 IonicContact OD2-NH1 3.13Å; D1748-R2052 PolarHBondContact OD2-NH1 3.16Å; D1748-R2052 IonicContact OD2-NH2 3.64Å; D1748-R2052 PolarHBondContact OD2-NH2 2.99Å; R2052-A2081 WeakPolarHBondContact O-CA 3.41Å; R2052-R2082 HydrophobicContact CB-CG 4.41Å; R2052-R2082 PolarHBondContact N-O 3.07Å; R2052-R2082 PolarHBondContact O-N 3.36Å
2053Y72.6Confident64.9Low33 Ų3389.7 Ų89.713%0.12943%0.433CS..EExtended strand (participates in β ladder)trans-54.5139.1172.9-131.7-73.5000112.4I1749 I1751 Y1999 S2055 K2056 V2079I1749-Y2053 HydrophobicContact CB-CD2 3.81Å; I1749-Y2053 HydrophobicContact CB-CG 4.42Å; I1749-Y2053 HydrophobicContact CG2-CD2 3.72Å; I1749-Y2053 HydrophobicContact CG2-CE2 4.23Å; I1749-Y2053 PolarHBondContact O-N 3.38Å; I1751-Y2053 HydrophobicContact CD1-CD2 3.59Å; I1751-Y2053 HydrophobicContact CD1-CE2 3.81Å; I1751-Y2053 HydrophobicContact CD1-CG 4.23Å; I1751-Y2053 HydrophobicContact CG1-CD2 3.88Å; I1751-Y2053 HydrophobicContact CG1-CE2 4.26Å; Y1999-Y2053 HydrophobicContact CD1-CE2 4.18Å; Y1999-Y2053 WeakPolarHBondContact CD1-OH 3.02Å; Y1999-Y2053 AromaticContact CE1-CE2 3.9Å; Y1999-Y2053 HydrophobicContact CE1-CE2 3.9Å; Y1999-Y2053 AromaticContact CE1-CZ 3.89Å; Y1999-Y2053 WeakPolarHBondContact CE1-OH 3.38Å; Y2053-S2055 WeakPolarHBondContact CE1-O 3.45Å; Y2053-K2056 HydrophobicContact CD1-CB 4.28Å; Y2053-K2056 HydrophobicContact CE1-CB 3.41Å; Y2053-K2056 VanDerWaalsContact CE1-CB 3.41Å; Y2053-K2056 HydrophobicContact CE1-CD 4.26Å; Y2053-K2056 HydrophobicContact CE1-CG 4.03Å; Y2053-K2056 WeakPolarHBondContact OH-CG 3.41Å; Y2053-V2079 HydrophobicContact CD1-CG1 3.77Å; Y2053-V2079 HydrophobicContact CD2-CG1 4.2Å; Y2053-V2079 HydrophobicContact CE1-CB 4.2Å; Y2053-V2079 HydrophobicContact CE1-CG1 3.25Å; Y2053-V2079 HydrophobicContact CE2-CG1 3.77Å; Y2053-V2079 HydrophobicContact CG-CG1 4.2Å; Y2053-V2079 VanDerWaalsContact OH-CG2 3.29Å; Y2053-V2079 WeakPolarHBondContact OH-CG2 3.42Å
2054K79.8Confident67.2Low147 Ų14786.2 Ų86.264%0.63942%0.415SS*.EExtended strand (participates in β ladder)trans-118.9-35.3178.3-165.3179.6-179-177.80113.6R2080K2054-R2080 WeakPolarHBondContact CA-O 3.2Å; K2054-R2080 HydrophobicContact CB-CB 4.07Å; K2054-R2080 WeakPolarHBondContact CB-O 3.49Å; K2054-R2080 PolarHBondContact N-O 3.25Å
2055S77.2Confident69.2Low64 Ų6489.2 Ų89.245%0.44842%0.421SS..EExtended strand (participates in β ladder)trans-162.4138.7169.261.60000113.1Y2053 V2079 R2080Y2053-S2055 WeakPolarHBondContact CE1-O 3.45Å; S2055-V2079 CarbonylContact O-C 3.59Å; S2055-V2079 WeakPolarHBondContact O-CA 3.44Å; S2055-R2080 PolarHBondContact N-O 3.5Å; S2055-R2080 PolarHBondContact O-N 3.4Å; S2055-R2080 WeakPolarHBondContact OG-CB 3.32Å; S2055-R2080 WeakPolarHBondContact OG-CG 3.41Å
2056K80.5Confident71.7Confident89 Ų8984.8 Ų84.839%0.38740%0.402SS..EExtended strand (participates in β ladder)trans-114.7115.2-174.7-173.1160.4172.4172.10111.8D1995 Y1999 Y2053 Y2077D1995-K2056 IonicContact OD2-NZ 3.55Å; Y1999-K2056 HydrophobicContact CE1-CD 4.35Å; Y1999-K2056 WeakPolarHBondContact OH-CE 3.46Å; Y1999-K2056 PolarHBondContact OH-NZ 2.97Å; Y2053-K2056 HydrophobicContact CD1-CB 4.28Å; Y2053-K2056 HydrophobicContact CE1-CB 3.41Å; Y2053-K2056 VanDerWaalsContact CE1-CB 3.41Å; Y2053-K2056 HydrophobicContact CE1-CD 4.26Å; Y2053-K2056 HydrophobicContact CE1-CG 4.03Å; Y2053-K2056 WeakPolarHBondContact OH-CG 3.41Å; K2056-Y2077 HydrophobicContact CD-CD1 4.11Å; K2056-Y2077 HydrophobicContact CD-CE1 4.44Å; K2056-Y2077 VanDerWaalsContact CE-CD1 3.47Å; K2056-Y2077 HydrophobicContact CG-CD1 3.58Å; K2056-Y2077 HydrophobicContact CG-CE1 4.22Å; K2056-Y2077 HydrophobicContact CG-CG 4.3Å
2057E82.4Confident73.3Confident105 Ų10585.9 Ų85.949%0.49140%0.396SS..EExtended strand (participates in β ladder)trans-112.8114-179.7179.5-177.9-124.800111.2C2059 Y2077 R2078E2057-C2059 PolarHBondContact O-N 3.07Å; E2057-Y2077 CarbonylContact O-C 3.5Å; E2057-Y2077 VanDerWaalsContact O-CA 3.3Å; E2057-Y2077 WeakPolarHBondContact O-CA 3.4Å; E2057-R2078 HydrophobicContact CB-CB 4.26Å; E2057-R2078 PolarHBondContact N-O 3.25Å; E2057-R2078 PolarHBondContact O-N 3.36Å; E2057-R2078 IonicContact OE2-CZ 2.82Å; E2057-R2078 IonicContact OE2-NH1 3.57Å; E2057-R2078 PolarHBondContact OE2-NH1 3.35Å
2058R88Confident74.9Confident162 Ų16280.6 Ų80.661%0.61138%0.376SS*.EExtended strand (participates in β ladder)trans-80.9110.9-176.8-172.8173.6177.7-91.67.4112.1I2075 Y2077R2058-I2075 HydrophobicContact CG-CG2 4.14Å; R2058-Y2077 HydrophobicContact CB-CD1 3.89Å; R2058-Y2077 HydrophobicContact CB-CE1 3.55Å; R2058-Y2077 HydrophobicContact CG-CD1 4.22Å; R2058-Y2077 HydrophobicContact CG-CE1 3.58Å
2059C86.5Confident76Confident24 Ų2483.7 Ų83.716%0.16240%0.396CS..EExtended strand (participates in β ladder)trans-104.5154.9-177.9-64.90000112.7E2057 I2075 F2076E2057-C2059 PolarHBondContact O-N 3.07Å; C2059-I2075 WeakPolarHBondContact O-CA 3.31Å; C2059-F2076 WeakPolarHBondContact CA-O 3.34Å; C2059-F2076 HydrophobicContact CB-CD1 3.87Å; C2059-F2076 HydrophobicContact CB-CD2 3.75Å; C2059-F2076 HydrophobicContact CB-CE1 3.56Å; C2059-F2076 HydrophobicContact CB-CE2 3.44Å; C2059-F2076 VanDerWaalsContact CB-CE2 3.44Å; C2059-F2076 HydrophobicContact CB-CG 3.97Å; C2059-F2076 HydrophobicContact CB-CZ 3.34Å; C2059-F2076 WeakPolarHBondContact CB-O 3.42Å; C2059-F2076 PolarHBondContact N-O 3.15Å; C2059-F2076 PolarHBondContact O-N 3.41Å; C2059-F2076 VanDerWaalsContact O-O 3.11Å
2060L87.6Confident77.4Confident89 Ų8982.1 Ų82.147%0.46639%0.388SS..EExtended strand (participates in β ladder)trans-131.9125.5176.1-172.275.7000111K2062 N2073 I2075L2060-K2062 PolarHBondContact O-N 2.92Å; L2060-N2073 WeakPolarHBondContact CD1-O 3.32Å; L2060-I2075 HydrophobicContact CD1-CG1 3.6Å
2061S86.7Confident78.3Confident5 Ų583.2 Ų83.24%0.03539%0.393CS..  trans-66.2114.7174.1170.30000111.5R2063 N2066 P2071 N2073 F2074S2061-R2063 PolarHBondContact OG-O 3.12Å; S2061-N2066 PolarHBondContact OG-ND2 2.92Å; S2061-N2066 VanDerWaalsContact OG-ND2 3.1Å; S2061-P2071 WeakPolarHBondContact CB-O 3.47Å; S2061-P2071 PolarHBondContact OG-O 2.98Å; S2061-N2073 VanDerWaalsContact O-CA 3.27Å; S2061-N2073 WeakPolarHBondContact O-CA 3.3Å; S2061-N2073 PolarHBondContact O-N 3.37Å; S2061-F2074 WeakPolarHBondContact CB-O 3.36Å; S2061-F2074 PolarHBondContact N-O 3.31Å
2062K84.8Confident78.8Confident165 Ų16591.4 Ų91.472%0.71742%0.424SS*.  trans-89.5-15.7177.6-66.3-175.8179.7178.40114.2L2060 R2072L2060-K2062 PolarHBondContact O-N 2.92Å; K2062-R2072 PolarHBondContact O-NE 3.12Å
2063R77.1Confident79.3Confident194 Ų19493.5 Ų93.573%0.73244%0.439SS*.SBendtrans-142140-174.3-62.1-179.2-179.4174.10.1109.7S2061 N2066S2061-R2063 PolarHBondContact OG-O 3.12Å; R2063-N2066 PolarHBondContact O-ND2 2.84Å
2064A72.4Confident79.9Confident55 Ų5594.6 Ų94.646%0.45545%0.445SS..SBendtrans-65.7-39.6179.700000112.7N2066 R2072A2064-N2066 PolarHBondContact O-N 3.23Å; A2064-R2072 HydrophobicContact CB-CB 4.38Å
2065N75.5Confident80.1Confident135 Ų13590.8 Ų90.872%0.72243%0.431SS*.SBendtrans-86.478.6171.1-61.931.7000108.9
2066N81.8Confident80.6Confident35 Ų3588.5 Ų88.519%0.18741%0.413CS..  trans-110.3166.8170.461.576.2000110.7S2061 R2063 A2064 F2068 N2069 L2070S2061-N2066 PolarHBondContact OG-ND2 2.92Å; S2061-N2066 VanDerWaalsContact OG-ND2 3.1Å; R2063-N2066 PolarHBondContact O-ND2 2.84Å; A2064-N2066 PolarHBondContact O-N 3.23Å; N2066-F2068 PolarHBondContact O-N 2.93Å; N2066-F2068 WeakPolarHBondContact OD1-CA 3.5Å; N2066-F2068 PolarHBondContact OD1-N 2.88Å; N2066-N2069 PolarHBondContact O-N 3.5Å; N2066-N2069 PolarHBondContact OD1-N 3.32Å; N2066-L2070 PolarHBondContact ND2-N 3.36Å; N2066-L2070 PolarHBondContact ND2-O 2.94Å; N2066-L2070 PolarHBondContact OD1-N 2.87Å
2067R69.2Low80.7Confident153 Ų15385.5 Ų85.558%0.57740%0.399SS*.THydrogen-bonded Turntrans-51-24.9-178.5-175.1175.8-178.3165.27.2114.3T1985T1985-R2067 PolarHBondContact O-NH2 3.26Å
2068F71.2Confident80.7Confident42 Ų4285 Ų8518%0.18439%0.393CS..THydrogen-bonded Turntrans-107.67.2-173.9-48.5-59.7000113.7R1990 F2000 N2066 L2070 F2076R1990-F2068 PolarHBondContact NH2-O 3.48Å; F2000-F2068 AromaticContact CD1-CD1 3.81Å; F2000-F2068 HydrophobicContact CD1-CD1 3.81Å; F2000-F2068 AromaticContact CD1-CE1 3.98Å; F2000-F2068 HydrophobicContact CD1-CE1 3.98Å; F2000-F2068 HydrophobicContact CD1-CG 4.2Å; F2000-F2068 HydrophobicContact CE1-CB 3.74Å; F2000-F2068 AromaticContact CE1-CD1 3.43Å; F2000-F2068 HydrophobicContact CE1-CD1 3.43Å; F2000-F2068 VanDerWaalsContact CE1-CD1 3.43Å; F2000-F2068 HydrophobicContact CE1-CD2 4.34Å; F2000-F2068 HydrophobicContact CE1-CE1 4.09Å; F2000-F2068 AromaticContact CE1-CG 3.58Å; F2000-F2068 HydrophobicContact CE1-CG 3.58Å; F2000-F2068 HydrophobicContact CZ-CB 3.85Å; F2000-F2068 HydrophobicContact CZ-CD1 4.34Å; F2000-F2068 HydrophobicContact CZ-CG 4.04Å; N2066-F2068 PolarHBondContact O-N 2.93Å; N2066-F2068 WeakPolarHBondContact OD1-CA 3.5Å; N2066-F2068 PolarHBondContact OD1-N 2.88Å; F2068-L2070 HydrophobicContact CB-CD1 4.03Å; F2068-L2070 HydrophobicContact CB-CG 3.95Å; F2068-L2070 PolarHBondContact O-N 2.89Å; F2068-L2070 VanDerWaalsContact O-N 3.11Å; F2068-F2076 HydrophobicContact CD2-CE2 4.04Å; F2068-F2076 AromaticContact CD2-CZ 3.94Å; F2068-F2076 HydrophobicContact CD2-CZ 3.94Å; F2068-F2076 AromaticContact CE2-CE2 3.89Å; F2068-F2076 HydrophobicContact CE2-CE2 3.89Å; F2068-F2076 AromaticContact CE2-CZ 3.93Å; F2068-F2076 HydrophobicContact CE2-CZ 3.93Å
2069N71.5Confident80.5Confident135 Ų13577.4 Ų77.472%0.72237%0.365SS*.  trans47.734.1-174.2-80.6-17.5000114.2N2066N2066-N2069 PolarHBondContact O-N 3.5Å; N2066-N2069 PolarHBondContact OD1-N 3.32Å
2070L79.4Confident80.5Confident2 Ų279.4 Ų79.41%0.0137%0.369CS..PPolyproline II helixtrans-81.2144.4176.5-65.6172.3000111.2F2000 N2066 F2068 F2074 F2076F2000-L2070 HydrophobicContact CE2-CD1 4.1Å; F2000-L2070 HydrophobicContact CZ-CD1 4Å; N2066-L2070 PolarHBondContact ND2-N 3.36Å; N2066-L2070 PolarHBondContact ND2-O 2.94Å; N2066-L2070 PolarHBondContact OD1-N 2.87Å; F2068-L2070 HydrophobicContact CB-CD1 4.03Å; F2068-L2070 HydrophobicContact CB-CG 3.95Å; F2068-L2070 PolarHBondContact O-N 2.89Å; F2068-L2070 VanDerWaalsContact O-N 3.11Å; L2070-F2074 HydrophobicContact CB-CB 4.18Å; L2070-F2074 HydrophobicContact CB-CD1 4.29Å; L2070-F2074 HydrophobicContact CB-CG 4.36Å; L2070-F2074 HydrophobicContact CD1-CD1 4.12Å; L2070-F2074 HydrophobicContact CD2-CD1 3.82Å; L2070-F2074 HydrophobicContact CD2-CE1 3.91Å; L2070-F2074 HydrophobicContact CD2-CG 4.4Å; L2070-F2074 HydrophobicContact CG-CD1 4.3Å; L2070-F2076 HydrophobicContact CD1-CB 3.93Å; L2070-F2076 HydrophobicContact CD1-CD1 3.39Å; L2070-F2076 HydrophobicContact CD1-CD2 4.31Å; L2070-F2076 HydrophobicContact CD1-CE1 3.88Å; L2070-F2076 HydrophobicContact CD1-CG 3.63Å
2071P76.8Confident80.3Confident53 Ų5375.3 Ų75.334%0.34435%0.348SS..PPolyproline II helixtrans-52.9155.7172.7-26.234.3000113F2038 S2061 F2074F2038-P2071 HydrophobicContact CE2-CG 4.11Å; F2038-P2071 HydrophobicContact CZ-CG 4.34Å; S2061-P2071 WeakPolarHBondContact CB-O 3.47Å; S2061-P2071 PolarHBondContact OG-O 2.98Å; P2071-F2074 HydrophobicContact CB-CB 4.26Å; P2071-F2074 HydrophobicContact CB-CD2 4.45Å; P2071-F2074 HydrophobicContact CG-CD2 4.07Å; P2071-F2074 WeakPolarHBondContact O-CB 3.22Å; P2071-F2074 PolarHBondContact O-N 3.41Å
2072R81.8Confident79.9Confident172 Ų17280.6 Ų80.665%0.64937%0.367SS*.THydrogen-bonded Turntrans-63.9139.5172.4-171.8174.1-174.2-128.8-1.6109.5K2062 A2064 F2074K2062-R2072 PolarHBondContact O-NE 3.12Å; A2064-R2072 HydrophobicContact CB-CB 4.38Å; R2072-F2074 PolarHBondContact O-N 3.22Å
2073N83.5Confident79.4Confident104 Ų10475 Ų7556%0.55635%0.348SS*.THydrogen-bonded Turntrans65.212.2-173.5-54.4-12.3000115.3L2060 S2061L2060-N2073 WeakPolarHBondContact CD1-O 3.32Å; S2061-N2073 VanDerWaalsContact O-CA 3.27Å; S2061-N2073 WeakPolarHBondContact O-CA 3.3Å; S2061-N2073 PolarHBondContact O-N 3.37Å
2074F84.2Confident78.7Confident56 Ų5667.9 Ų67.925%0.24632%0.324CS..  trans-70.2135.2173.1-164.8-83.4000111.7V1998 F2038 S2061 L2070 P2071 R2072V1998-F2074 HydrophobicContact CB-CE1 4.09Å; V1998-F2074 HydrophobicContact CG2-CE1 3.53Å; V1998-F2074 HydrophobicContact CG2-CZ 3.58Å; F2038-F2074 HydrophobicContact CZ-CE2 4.49Å; S2061-F2074 WeakPolarHBondContact CB-O 3.36Å; S2061-F2074 PolarHBondContact N-O 3.31Å; L2070-F2074 HydrophobicContact CB-CB 4.18Å; L2070-F2074 HydrophobicContact CB-CD1 4.29Å; L2070-F2074 HydrophobicContact CB-CG 4.36Å; L2070-F2074 HydrophobicContact CD1-CD1 4.12Å; L2070-F2074 HydrophobicContact CD2-CD1 3.82Å; L2070-F2074 HydrophobicContact CD2-CE1 3.91Å; L2070-F2074 HydrophobicContact CD2-CG 4.4Å; L2070-F2074 HydrophobicContact CG-CD1 4.3Å; P2071-F2074 HydrophobicContact CB-CB 4.26Å; P2071-F2074 HydrophobicContact CB-CD2 4.45Å; P2071-F2074 HydrophobicContact CG-CD2 4.07Å; P2071-F2074 WeakPolarHBondContact O-CB 3.22Å; P2071-F2074 PolarHBondContact O-N 3.41Å; R2072-F2074 PolarHBondContact O-N 3.22Å
2075I85Confident77.6Confident68 Ų6871.8 Ų71.835%0.34934%0.336SS..EExtended strand (participates in β ladder)trans-92.9133177.4-61.6156.9000109.3R2058 C2059 L2060 Y2077R2058-I2075 HydrophobicContact CG-CG2 4.14Å; C2059-I2075 WeakPolarHBondContact O-CA 3.31Å; L2060-I2075 HydrophobicContact CD1-CG1 3.6Å; I2075-Y2077 HydrophobicContact CG2-CE2 4.17Å
2076F86.4Confident75.8Confident16 Ų1671 Ų717%0.0733%0.332CS..EExtended strand (participates in β ladder)trans-142.8167.5174.565.9-80.6000110.1V1998 F2000 C2059 F2068 L2070 R2078V1998-F2076 HydrophobicContact CB-CB 4.34Å; V1998-F2076 WeakPolarHBondContact O-CA 3.3Å; F2000-F2076 HydrophobicContact CD2-CB 4.14Å; F2000-F2076 AromaticContact CD2-CD2 3.55Å; F2000-F2076 HydrophobicContact CD2-CD2 3.55Å; F2000-F2076 HydrophobicContact CD2-CE2 4.37Å; F2000-F2076 HydrophobicContact CD2-CG 4.24Å; F2000-F2076 HydrophobicContact CE2-CB 3.81Å; F2000-F2076 AromaticContact CE2-CD2 3.7Å; F2000-F2076 HydrophobicContact CE2-CD2 3.7Å; F2000-F2076 HydrophobicContact CE2-CG 4Å; F2000-F2076 HydrophobicContact CG-CD2 4.3Å; C2059-F2076 WeakPolarHBondContact CA-O 3.34Å; C2059-F2076 HydrophobicContact CB-CD1 3.87Å; C2059-F2076 HydrophobicContact CB-CD2 3.75Å; C2059-F2076 HydrophobicContact CB-CE1 3.56Å; C2059-F2076 HydrophobicContact CB-CE2 3.44Å; C2059-F2076 VanDerWaalsContact CB-CE2 3.44Å; C2059-F2076 HydrophobicContact CB-CG 3.97Å; C2059-F2076 HydrophobicContact CB-CZ 3.34Å; C2059-F2076 WeakPolarHBondContact CB-O 3.42Å; C2059-F2076 PolarHBondContact N-O 3.15Å; C2059-F2076 PolarHBondContact O-N 3.41Å; C2059-F2076 VanDerWaalsContact O-O 3.11Å; F2068-F2076 HydrophobicContact CD2-CE2 4.04Å; F2068-F2076 AromaticContact CD2-CZ 3.94Å; F2068-F2076 HydrophobicContact CD2-CZ 3.94Å; F2068-F2076 AromaticContact CE2-CE2 3.89Å; F2068-F2076 HydrophobicContact CE2-CE2 3.89Å; F2068-F2076 AromaticContact CE2-CZ 3.93Å; F2068-F2076 HydrophobicContact CE2-CZ 3.93Å; L2070-F2076 HydrophobicContact CD1-CB 3.93Å; L2070-F2076 HydrophobicContact CD1-CD1 3.39Å; L2070-F2076 HydrophobicContact CD1-CD2 4.31Å; L2070-F2076 HydrophobicContact CD1-CE1 3.88Å; L2070-F2076 HydrophobicContact CD1-CG 3.63Å; F2076-R2078 HydrophobicContact CE2-CG 4.23Å
2077Y84Confident73.4Confident25 Ų2573 Ų7310%0.09835%0.349CS..EExtended strand (participates in β ladder)trans-121.5134.4179.6-64.5-94.8000110.6H1997 V1998 Y1999 F2000 K2056 E2057 R2058 I2075H1997-Y2077 HydrophobicContact CB-CD2 3.84Å; H1997-Y2077 HydrophobicContact CB-CE2 3.73Å; H1997-Y2077 AromaticContact CD2-CE2 3.16Å; H1997-Y2077 WeakPolarHBondContact CD2-CE2 3.41Å; H1997-Y2077 AromaticContact CD2-CZ 3.63Å; H1997-Y2077 AromaticContact CG-CE2 3.59Å; H1997-Y2077 AromaticContact NE2-CE2 3.92Å; H1997-Y2077 PolarHBondContact NE2-OH 2.96Å; V1998-Y2077 PolarHBondContact O-N 3.41Å; Y1999-Y2077 CarbonylContact C-O 3.57Å; Y1999-Y2077 WeakPolarHBondContact CA-O 3.33Å; Y1999-Y2077 HydrophobicContact CD1-CG 4.43Å; Y1999-Y2077 HydrophobicContact CE1-CD2 4.16Å; Y1999-Y2077 AromaticContact CE1-CG 3.94Å; Y1999-Y2077 HydrophobicContact CE1-CG 3.94Å; F2000-Y2077 PolarHBondContact N-O 3.14Å; K2056-Y2077 HydrophobicContact CD-CD1 4.11Å; K2056-Y2077 HydrophobicContact CD-CE1 4.44Å; K2056-Y2077 VanDerWaalsContact CE-CD1 3.47Å; K2056-Y2077 HydrophobicContact CG-CD1 3.58Å; K2056-Y2077 HydrophobicContact CG-CE1 4.22Å; K2056-Y2077 HydrophobicContact CG-CG 4.3Å; E2057-Y2077 CarbonylContact O-C 3.5Å; E2057-Y2077 VanDerWaalsContact O-CA 3.3Å; E2057-Y2077 WeakPolarHBondContact O-CA 3.4Å; R2058-Y2077 HydrophobicContact CB-CD1 3.89Å; R2058-Y2077 HydrophobicContact CB-CE1 3.55Å; R2058-Y2077 HydrophobicContact CG-CD1 4.22Å; R2058-Y2077 HydrophobicContact CG-CE1 3.58Å; I2075-Y2077 HydrophobicContact CG2-CE2 4.17Å
2078R82.5Confident71.4Confident94 Ų9471.9 Ų71.936%0.35535%0.354SS..EExtended strand (participates in β ladder)trans-87.8146.1162.3-64.417674.4-138.16.4108.7F2000 H2002 E2057 F2076F2000-R2078 HydrophobicContact CB-CG 4.38Å; F2000-R2078 CarbonylContact O-C 3.57Å; F2000-R2078 VanDerWaalsContact O-CA 3.25Å; F2000-R2078 WeakPolarHBondContact O-CA 3.32Å; H2002-R2078 PolarHBondContact CD2-NH2 3.21Å; H2002-R2078 PolarHBondContact NE2-NH2 3.42Å; E2057-R2078 HydrophobicContact CB-CB 4.26Å; E2057-R2078 PolarHBondContact N-O 3.25Å; E2057-R2078 PolarHBondContact O-N 3.36Å; E2057-R2078 IonicContact OE2-CZ 2.82Å; E2057-R2078 IonicContact OE2-NH1 3.57Å; E2057-R2078 PolarHBondContact OE2-NH1 3.35Å; F2076-R2078 HydrophobicContact CE2-CG 4.23Å
2079V83.8Confident69.3Low3 Ų375.4 Ų75.42%0.01838%0.384CS..EExtended strand (participates in β ladder)trans-126.4150.1-173.5-161.90000109.1I1751 Y1999 F2000 L2001 H2002 Y2053 S2055I1751-V2079 HydrophobicContact CD1-CG1 3.59Å; Y1999-V2079 HydrophobicContact CD1-CG2 3.63Å; Y1999-V2079 HydrophobicContact CG-CG2 4.24Å; F2000-V2079 PolarHBondContact O-N 3.12Å; L2001-V2079 CarbonylContact C-O 3.54Å; L2001-V2079 VanDerWaalsContact C-O 3.24Å; L2001-V2079 HydrophobicContact CB-CB 3.79Å; L2001-V2079 HydrophobicContact CB-CG1 4.47Å; L2001-V2079 HydrophobicContact CB-CG2 4.06Å; L2001-V2079 HydrophobicContact CD1-CG1 4.38Å; L2001-V2079 HydrophobicContact CG-CB 4.22Å; L2001-V2079 HydrophobicContact CG-CG1 4.42Å; H2002-V2079 WeakPolarHBondContact CB-O 3.45Å; Y2053-V2079 HydrophobicContact CD1-CG1 3.77Å; Y2053-V2079 HydrophobicContact CD2-CG1 4.2Å; Y2053-V2079 HydrophobicContact CE1-CB 4.2Å; Y2053-V2079 HydrophobicContact CE1-CG1 3.25Å; Y2053-V2079 HydrophobicContact CE2-CG1 3.77Å; Y2053-V2079 HydrophobicContact CG-CG1 4.2Å; Y2053-V2079 VanDerWaalsContact OH-CG2 3.29Å; Y2053-V2079 WeakPolarHBondContact OH-CG2 3.42Å; S2055-V2079 CarbonylContact O-C 3.59Å; S2055-V2079 WeakPolarHBondContact O-CA 3.44Å
2080R85.4Confident67.1Low67 Ų6774.3 Ų74.325%0.25339%0.387SS..EExtended strand (participates in β ladder)trans-114.8147.6145.8-59.2-59.3-64.2-121.83.2108.2H2002 D2004 D2005 K2054 S2055H2002-R2080 VanDerWaalsContact CB-CD 3.45Å; H2002-R2080 PolarHBondContact ND1-NH1 3.03Å; D2004-R2080 IonicContact OD2-CZ 3.61Å; D2004-R2080 IonicContact OD2-NH1 3.41Å; D2004-R2080 PolarHBondContact OD2-NH1 2.97Å; D2004-R2080 IonicContact OD2-NH2 2.65Å; D2004-R2080 PolarHBondContact OD2-NH2 3.02Å; D2005-R2080 VanDerWaalsContact CG-NE 3.27Å; D2005-R2080 IonicContact OD1-CZ 3.42Å; D2005-R2080 VanDerWaalsContact OD1-CZ 3.3Å; D2005-R2080 IonicContact OD1-NE 3.39Å; D2005-R2080 PolarHBondContact OD1-NE 3.21Å; D2005-R2080 VanDerWaalsContact OD1-NE 3.13Å; D2005-R2080 IonicContact OD1-NH2 3.1Å; D2005-R2080 PolarHBondContact OD1-NH2 3Å; D2005-R2080 WeakPolarHBondContact OD2-CA 3.37Å; D2005-R2080 WeakPolarHBondContact OD2-CB 3.41Å; D2005-R2080 WeakPolarHBondContact OD2-CD 3.41Å; D2005-R2080 IonicContact OD2-CZ 3.63Å; D2005-R2080 IonicContact OD2-NE 2.69Å; D2005-R2080 PolarHBondContact OD2-NE 3.08Å; D2005-R2080 IonicContact OD2-NH2 3.79Å; K2054-R2080 WeakPolarHBondContact CA-O 3.2Å; K2054-R2080 HydrophobicContact CB-CB 4.07Å; K2054-R2080 WeakPolarHBondContact CB-O 3.49Å; K2054-R2080 PolarHBondContact N-O 3.25Å; S2055-R2080 PolarHBondContact N-O 3.5Å; S2055-R2080 PolarHBondContact O-N 3.4Å; S2055-R2080 WeakPolarHBondContact OG-CB 3.32Å; S2055-R2080 WeakPolarHBondContact OG-CG 3.41Å
2081A83.4Confident64.5Low3 Ų382.2 Ų82.23%0.02543%0.429CS..EExtended strand (participates in β ladder)trans-138.8170.6-179.600000111.7I1751 L2001 D2005 L2009 A2051 R2052I1751-A2081 HydrophobicContact CD1-CB 4.15Å; L2001-A2081 HydrophobicContact CD1-CB 3.56Å; L2001-A2081 HydrophobicContact CD2-CB 4.38Å; L2001-A2081 HydrophobicContact CG-CB 3.91Å; D2005-A2081 PolarHBondContact OD2-N 2.83Å; L2009-A2081 HydrophobicContact CD1-CB 4.41Å; A2051-A2081 HydrophobicContact CB-CB 4.22Å; R2052-A2081 WeakPolarHBondContact O-CA 3.41Å
2082R79.2Confident62.2Low115 Ų11587 Ų8743%0.43445%0.452SS..EExtended strand (participates in β ladder)trans-141.1150.9170.861.1178178.3129.4-5.2110.2A2051 R2052A2051-R2082 CarbonylContact C-O 3.54Å; A2051-R2082 VanDerWaalsContact CA-O 3.32Å; A2051-R2082 WeakPolarHBondContact CA-O 3.42Å; A2051-R2082 WeakPolarHBondContact CB-O 3.42Å; R2052-R2082 HydrophobicContact CB-CG 4.41Å; R2052-R2082 PolarHBondContact N-O 3.07Å; R2052-R2082 PolarHBondContact O-N 3.36Å
2083P73.2Confident59.6Low49 Ų4984.3 Ų84.332%0.31846%0.458SS..EExtended strand (participates in β ladder)trans-58149.9173.226.9-36.4000110.3A2008 L2009 L2085A2008-P2083 VanDerWaalsContact O-CD 3.27Å; A2008-P2083 WeakPolarHBondContact O-CD 3.27Å; A2008-P2083 WeakPolarHBondContact O-CG 3.07Å; L2009-P2083 HydrophobicContact CD2-CB 4Å; P2083-L2085 PolarHBondContact O-N 2.91Å
2084L62.2Low56.9Low44 Ų4486.4 Ų86.423%0.2348%0.475CS..  trans-71.1110.8162.1-90.5152.2000108.5V1740 F1744 V1750 A2050 N2086V1740-L2084 HydrophobicContact CG1-CD1 4.29Å; F1744-L2084 HydrophobicContact CE1-CD1 3.98Å; F1744-L2084 HydrophobicContact CE1-CD2 3.71Å; F1744-L2084 HydrophobicContact CE1-CG 4.44Å; F1744-L2084 HydrophobicContact CZ-CD1 3.67Å; F1744-L2084 HydrophobicContact CZ-CD2 3.66Å; F1744-L2084 HydrophobicContact CZ-CG 4.32Å; V1750-L2084 HydrophobicContact CG1-CD1 4.41Å; V1750-L2084 HydrophobicContact CG2-CD1 4.39Å; A2050-L2084 HydrophobicContact CB-CD1 3.83Å; A2050-L2084 PolarHBondContact O-N 2.71Å; L2084-N2086 PolarHBondContact O-N 2.75Å
2085L50.4Low54.1Low137 Ų13786.8 Ų86.872%0.71749%0.494SS*.  trans-66.3121.9165.5-73.9161.4000107.5P2083 S2087P2083-L2085 PolarHBondContact O-N 2.91Å; L2085-S2087 PolarHBondContact O-N 3.45Å; L2085-S2087 VanDerWaalsContact O-N 3.11Å
2086N37.3Very low51.4Low118 Ų11894 Ų9463%0.63152%0.523SS*.  trans-60.6114.1164.8-9820.6000107.9L2084 D2088L2084-N2086 PolarHBondContact O-N 2.75Å; N2086-D2088 PolarHBondContact O-N 3.39Å
2087S30.6Very low48.5Very low78 Ų7896.7 Ų96.755%0.54556%0.556SS.*  trans-8163.1172.160.40000110.2L2085L2085-S2087 PolarHBondContact O-N 3.45Å; L2085-S2087 VanDerWaalsContact O-N 3.11Å
2088D27.1Very low45.9Very low128 Ų12899.1 Ų99.168%0.68459%0.589SS**  trans-64.8130.1155.9-77-59.8000107.7N2086N2086-D2088 PolarHBondContact O-N 3.39Å
2089S27.1Very low43.4Very low117 Ų117102.4 Ų102.482%0.81861%0.612SS**SBendtrans54.7100.3-179.163.60000117.2
2090S26.3Very low41.1Very low111 Ų111107.9 Ų107.978%0.77665%0.647SS**  -170.8101.6112.863.10000111.6
2091N25.3Very low38.5Very low168 Ų168109 Ų10990%0.89867%0.665SS**SBendtrans-146.460.9149.1-138.75.5000111.1
2092N27Very low36.2Very low154 Ų154113.8 Ų113.882%0.82470%0.699SS**SBendtrans-153.1138.4150.1-120.9-19000110.9
2093C27.3Very low34.2Very low115 Ų115114.2 Ų114.278%0.77772%0.716SS**  trans27.2118.8169.5-62.60000121
2094V27.9Very low32.1Very low149 Ų149117.4 Ų117.490%0.90374%0.74SS**  trans-35.8138.7146.7174.70000112.1
2095G25.2Very low31.2Very low64 Ų64121 Ų12166%0.6677%0.765SS**  trans-54.8149.1-16600000118.3
2096F27.2Very low30.3Very low218 Ų218120.3 Ų120.396%0.95677%0.767SS**  trans-110.7122.3133.4-112.8-86.9000108.8
2097G26.4Very low29.9Very low74 Ų74124.9 Ų124.976%0.76378%0.776SS**  trans-84.8147-178.500000112.6
2098G28.7Very low29.9Very low75 Ų75126.9 Ų126.977%0.77378%0.78SS**  trans-122.143.6-179.100000114.1P2100G2098-P2100 WeakPolarHBondContact O-CD 3.06Å
2099I30.2Very low29.9Very low164 Ų164128.3 Ų128.384%0.84179%0.787SS**  trans-98.6108.2171.9-57.5177.9000109.7S2101I2099-S2101 PolarHBondContact O-N 2.66Å
2100P36.4Very low30.2Very low117 Ų117130.8 Ų130.876%0.7679%0.791SS**  trans-77.686.9168.631.5-33.1000111.1G2098G2098-P2100 WeakPolarHBondContact O-CD 3.06Å
2101S30.2Very low30.4Very low91 Ų91136.5 Ų136.564%0.63680%0.796SS**  trans34.3113.114061.60000120.1I2099I2099-S2101 PolarHBondContact O-N 2.66Å
2102S34.7Very low30.5Very low104 Ų104136.4 Ų136.473%0.72779%0.79SS**  -5.6157.3128.960.30000119.6
2103P37.9Very low30.7Very low123 Ų123136.6 Ų136.680%0.79979%0.786SS**  trans-125.3122.8142.935.1-23000113.5
2104S28.6Very low30.9Very low116 Ų116138.6 Ų138.681%0.81178%0.783SS**  trans-145.699.8164.9-800000110T2106S2104-T2106 PolarHBondContact O-N 2.89Å
2105P44.1Very low31.2Very low119 Ų119138.2 Ų138.277%0.77378%0.776SS**  trans-81.3121.2-17530.3-32.7000112.9
2106T30.6Very low31.3Very low123 Ų123142.5 Ų142.576%0.75578%0.784SS**  trans10.7149.4131.863.20000118.5S2104S2104-T2106 PolarHBondContact O-N 2.89Å
2107R29.2Very low31.3Very low214 Ų214136 Ų13681%0.80878%0.778SS**  -174.7153.955.2-150.8-176.1-177.2158.92.4114.6
2108N30.5Very low31.4Very low121 Ų121137.4 Ų137.465%0.64778%0.777SS**  trans64.3133.5162.6-66.2-15000118.4
2109L26.8Very low31.4Very low157 Ų157141 Ų14182%0.82278%0.776SS**  cis89.4110.729.3-67.7161.7000115.5
2110N32.9Very low31.1Very low169 Ų169142 Ų14290%0.90478%0.775SS**  trans-154.2156.8146.6-132.2-20.4000110.3
2111R30.8Very low30.8Very low231 Ų231143.7 Ų143.787%0.87278%0.777SS**  trans-156.2169.1-170.9-143.3-178.9-168.5-158.64.8111.1
2112Q28.9Very low30.7Very low166 Ų166143.6 Ų143.678%0.77678%0.776SS**  trans81120.4177.9-49.8-164.7-15.500113.9
2113H29.5Very low30.5Very low159 Ų159144.8 Ų144.874%0.73678%0.779SS**  90.2144.770-74.2-60.3000113.2
2114Q32.1Very low30Very low156 Ų156145.4 Ų145.473%0.72977%0.774SS**  cis-177.6156-14.2177.7174.960.300109.3
2115N34.3Very low29.9Very low142 Ų142144.4 Ų144.476%0.75977%0.766SS**  trans-162.7122.1144.2-123.6-28.7000117.1
2116N27.6Very low29Very low154 Ų154146.4 Ų146.482%0.82477%0.765SS**  trans41.2134.9151.9-72-27000125.8
2117G27.1Very low28.9Very low80 Ų80144.8 Ų144.883%0.82576%0.759SS**  trans115.7104.6169.200000112
2118S28.1Very low28.7Very low105 Ų105139.5 Ų139.573%0.73476%0.755SS**SBendcis-148.8157.68.6-169.40000111.8
2119I28.7Very low29Very low149 Ų149138.3 Ų138.376%0.76475%0.754SS**  trans34104.6156-64.1167.1000116.8
2120K24.5Very low28.8Very low186 Ų186139.9 Ų139.981%0.80975%0.754SS**  56.510563-70.1-168.3172.2-176.10116.7
2121N29.5Very low28.4Very low153 Ų153137.2 Ų137.282%0.81874%0.744SS**  167.7146.9124.9-86.3-6.4000110
2122S29.1Very low28.1Very low88 Ų88132.9 Ų132.962%0.61574%0.737SS**  cis-169140.4-1253.20000111.2
2123V28.9Very low27.9Very low129 Ų129129.1 Ų129.178%0.78273%0.729SS**  64.4138123.7169.10000120.1
2124I27.8Very low27.6Very low136 Ų136128.5 Ų128.570%0.69773%0.731SS**  cis-172.2154.6-20-146.2168.4000109
2125C27.1Very low27.6Very low95 Ų95127.2 Ų127.264%0.64274%0.735SS**  trans57.9152.9159.6-69.20000119.1
2126E25.4Very low27.1Very low161 Ų161127.2 Ų127.275%0.75273%0.734SS**  cis-170.7-179.7-20.5-120.2-174.1-96.800107.4
2127S27.4Very low27.1Very low89 Ų89124.9 Ų124.962%0.62273%0.725SS**  cis-145.7-1392.2-155.90000110.7
2128S25.8Very low27.1Very low104 Ų104127.2 Ų127.273%0.72772%0.719SS**  trans-149.4-164.2166.9-50.80000107.3
2129P36.4Very low27.2Very low96 Ų96127.2 Ų127.262%0.62371%0.706SS**  cis-135.1-167.8-13.522.64.4000113.6
2130F22.6Very low27.2Very low190 Ų190128 Ų12883%0.83371%0.707SS**  trans70.7158.8164.6-58.8-64.1000116.3
2131V24.7Very low27.4Very low113 Ų113125.2 Ų125.269%0.68570%0.701SS**  cis-152.6166.8-0.3100.40000110.5
2132L24.2Very low27.3Very low140 Ų140123.7 Ų123.773%0.73370%0.695SS**  trans16.6124.8160.2-57.2165.9000119
2133S24.3Very low27.2Very low86 Ų86125.7 Ų125.760%0.60170%0.7SS**  37.4101.883.672.30000116
2134D24.9Very low27Very low146 Ų146125.5 Ų125.578%0.78170%0.695SS**  178.4153.4118.9-90.9-18.8000111.7
2135T30.6Very low27Very low130 Ų130124.8 Ų124.880%0.79870%0.695SS**  trans60.9147.3164.254.30000119.5
2136D24.4Very low27Very low141 Ų141126.8 Ų126.875%0.75470%0.698SS**  cis-167.6177.5-31.7-146.7-34.4000108.6
2137V28.1Very low27.1Very low105 Ų105124.4 Ų124.464%0.63669%0.694SS**  trans65.4101154.8-178.90000117.4
2138N27.6Very low27.1Very low130 Ų130127.1 Ų127.170%0.69570%0.7SS**  trans77.4109.6143.8-65.4-19.6000121.8
2139K28.5Very low27.2Very low104 Ų104129 Ų12945%0.45270%0.698SS.*  trans75.8135.4148.8-57.3151.7155.5-95.90116.3V1593 S1594 I1595V1593-K2139 HydrophobicContact CB-CB 3.85Å; V1593-K2139 HydrophobicContact CB-CD 4.26Å; V1593-K2139 HydrophobicContact CG1-CB 3.64Å; V1593-K2139 PolarHBondContact O-NZ 3.37Å; V1593-K2139 VanDerWaalsContact O-NZ 3.14Å; S1594-K2139 WeakPolarHBondContact O-CD 3.22Å; S1594-K2139 WeakPolarHBondContact O-CG 3.4Å; S1594-K2139 PolarHBondContact O-NZ 2.71Å; I1595-K2139 HydrophobicContact CD1-CG 3.81Å; I1595-K2139 HydrophobicContact CG1-CG 4.06Å
2140E30.1Very low26.4Very low167 Ų167132 Ų13278%0.7870%0.704SS**  cis-133.50-4.9-179176.1-133.600109.1S1594 I1595 S1596S1594-E2140 WeakPolarHBondContact CB-OE2 3.36Å; S1594-E2140 PolarHBondContact OG-OE2 3.18Å; I1595-E2140 VanDerWaalsContact CA-OE1 3.29Å; I1595-E2140 WeakPolarHBondContact CA-OE1 3.33Å; S1596-E2140 PolarHBondContact N-OE1 2.75Å

Retrieved 2,140 of 2,140 residues in 580.4 ms (Link to these results)

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