X2JFG0_DROME Loading...

Rudimentary, isoform D

Multifunctional protein that encodes the first 3 enzymatic activities of the de novo pyrimidine pathway: carbamoylphosphate synthetase (CPSase; EC 6.3.5.5), aspartate transcarbamylase (ATCase; EC 2.1.3.2) and dihydroorotase (DHOase; EC 3.5.2.3). The CPSase-function is accomplished in 2 steps, by a glutamine-dependent amidotransferase activity (GATase) that binds and cleaves glutamine to produce ammonia, followed by an ammonium-dependent carbamoyl phosphate synthetase, which reacts with the ammonia, hydrogencarbonate and ATP to form carbamoyl phosphate. The endogenously produced carbamoyl phosphate is sequestered and channeled to the ATCase active site. ATCase then catalyzes the formation of carbamoyl-L-aspartate from L-aspartate and carbamoyl phosphate. In the last step, DHOase catalyzes the cyclization of carbamoyl aspartate to dihydroorotate.

AlphaFold DB (P05990), UniProt , Accession X2JFG0, Species DROME (Drosophila melanogaster, Fruit fly), Gene r, Length 2,224 aa.

>X2JFG0_DROME|X2JFG0|r
MASTDCYLALEDGTVLPGYSFGYVPSENESKVGFGGEVVFQTGMVGYTEALTDRSYSGQILVLTYPLIGNYGVPAPDEDEHGLPLHFEWMKGVVQATALVVGEVAEEAFHWRKWKTLPDWLKQHKVPGIQDIDTRALTKKLREQGSMLGKIVYEKPPVEGLPKSSFVDPNVRNLAKECSVKERQVYGNPNGKGPRIAILDCGLKLNQLRCLLQRGASVTLLPWSARLEDEQFDALFLSNGPGNPESCDQIVQQVRKVIEEGQKPVFGICLGHQLLAKAIGCSTYKMKYGNRGHNLPCLHRATGRCLMTSQNHGYAVDLEQLPDGWSELFVNANDGTNEGIVHASKPYFSVQFHPEHHAGPQDTEFLFDVFMESIQQKDLTIPQLIEQRLRPTTPAIDSAPVMPRKVLILGSGGLSIGQAGEFDYSGSQAIKAMRESNIQTVLINPNIATVQTSKGMADKCYFLPLTPHYVEQVIKSERPNGVLLTFGGQTALNCGVQLERAGVFSKYNVRILGTPIQSIIETEDRKLFAERVNEIGEQVAPSEAVYSVAQALDAASRLGYPVMARAAFSLGGLGSGFANNEEELQSLAQQALAHSSQLIVDKSLKGWKEVEYEVVRDAYNNCITVCNMENFDPLGIHTGESIVVAPSQTLSDREYQMLRSTALKVIRHFGVVGECNIQYALCPHSEQYYIIEVNARLSRSSALASKATGYPLAYVAAKLALGLPLPDIKNSVTGNTTACFEPSLDYCVVKIPRWDLAKFVRVSKHIGSSMKSVGEVMAIGRNFEEAFQKALRMVDSDVLGFDPDVVPLNKEQLAEQLSEPTDRRPFVIAAALQLGMSLRELHQLTNIDYWFLEKLERIILLQSLLTRNGSRTDAALLLKAKRFGFSDKQIAKYIKSTELAVRHQRQEFGIRPHVKQIDTVAGEWPASTNYLYHTYNGSEHDVDFPGGHTIVVGSGVYRIGSSVEFDWCAVGCLRELRKLQRPTIMINYNPETVSTDYDMCDRLYFEEISFEVVMDIYEMENSEGIILSMGGQLPNNIAMDLHRQQAKVLGTSPESIDCAENRFKFSRMLDRKGILQPRWKELTNLQSAIEFCEEVGYPCLVRPSYVLSGAAMNVAYSNQDLETYLNAASEVSREHPVVISKFLTEAKEIDVDAVASDGRILCMAVSEHVENAGVHSGDATLVTPPQDLNAETLEAIKRITCDLASVLDVTGPFNMQLIAKNNELKVIECNVRVSRSFPFVSKTLDHDFVATATRAIVGLDVEPLDVLHGVGKVGVKVPQFSFSRLAGADVQLGVEMASTGEVACFGDNRYEAYLKAMMSTGFQIPKNAVLLSIGSFKHKMELLPSIRDLAKMGYKLYASMGTGDFYAEHGVNVESVQWTFDKTTPDDINGELRHLAEFLANKQFDLVINLPMSGGGARRVSSFMTHGYRTRRLAVDYSIPLVTDVKCTKLLVESMRMNGGKPPMKTHTDCMTSRRIVKLPGFIDVHVHLREPGATHKEDFASGTAAALAGGVTLVCAMPNTNPSIVDRETFTQFQELAKAGARCDYALYVGASDDNWAQVNELASHACGLKMYLNDTFGTLKLSDMTSWQRHLSHWPKRSPIVCHAERQSTAAVIMLAHLLDRSVHICHVARKEEIQLIRSAKEKGVKVTCEVCPHHLFLSTKDVERLGHGMSEVRPLLCSPEDQEALWENIDYIDVFATDHAPHTLAEKRSERPPPGFPGVETILPLLLQAVHEGRLTMEDIKRKFHRNPKIIFNLPDQAQTYVEVDLDEEWTITGNEMKSKSGWTPFEGTKVKGRVHRVVLRGEVAFVDGQVLVQPGFGQNVRPKQSPLASEASQDLLPSDNDANDTFTRLLTSEGPGGGVHGISTKVHFVDGANFLRPNSPSPRIRLDSASNTTLREYLQRTTNSNPVAHSLMGKHILAVDMFNKDHLNDIFNLAQLLKLRGTKDRPVDELLPGKIMASVFYEVSTRTQCSFAAAMLRLGGRVISMDNITSSVKKGESLEDSIKVVSSYADVVVLRHPSPGAVARAATFSRKPLINAGDGVGEHPTQALLDIFTIREEFGTVNGLTITMVGDLKNGRTVHSLARLLTLYNVNLQYVAPNSLQMPDEVVQFVHQRGVKQLFARDLKNVLPDTDVLYMTRIQRERFDNVEDYEKCCGHLVLTPEHMMRAKKRSIVLHPLPRLNEISREIDSDPRAAYFRQAEYGMYIRMALLAMVVGGRNTAL
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.2Very low80Confident210 Ų21057.1 Ų57.1100%1.03433%0.329SS*.  0154.50-71.1-179.9-175.800108.3S3M1-S3 PolarHBondContact O-N 2.87Å
2A47.4Very low81Confident103 Ų10357.8 Ų57.885%0.85133%0.33SS*.  trans-67.7100.6169.600000107.9T4A2-T4 PolarHBondContact O-N 3.29Å
3S65.4Low81.7Confident53 Ų5354.9 Ų54.937%0.37132%0.322SS..PPolyproline II helixtrans-64.5129.3175.949.20000109.2M1 Y19M1-S3 PolarHBondContact O-N 2.87Å; S3-Y19 WeakPolarHBondContact OG-CD1 3.33Å
4T82.6Confident82.4Confident72 Ų7253.4 Ų53.444%0.44231%0.313SS..PPolyproline II helixtrans-78.7133.9177.9-50.40000109.2A2 C6 S20A2-T4 PolarHBondContact O-N 3.29Å; T4-C6 PolarHBondContact O-N 2.66Å; T4-S20 WeakPolarHBondContact CB-OG 3.46Å; T4-S20 PolarHBondContact N-OG 3.11Å; T4-S20 WeakPolarHBondContact O-CB 3.37Å; T4-S20 PolarHBondContact O-N 3.44Å; T4-S20 PolarHBondContact O-OG 3.15Å
5D88.2Confident83.1Confident87 Ų8753 Ų5347%0.46531%0.312SS..EExtended strand (participates in β ladder)trans-57.8136.6173.8-64.3-17000110.4Y19D5-Y19 VanDerWaalsContact OD1-CE1 3.29Å; D5-Y19 WeakPolarHBondContact OD1-CE1 3.49Å
6C92.5Very high83.7Confident0 Ų051.9 Ų51.90%030%0.304CS..EExtended strand (participates in β ladder)trans-145.5165.5171.564.20000110.9T4 G18 Y19 S20 I129 I151 V152 Y153T4-C6 PolarHBondContact O-N 2.66Å; C6-G18 PolarHBondContact N-O 2.99Å; C6-G18 CarbonylContact O-C 3.52Å; C6-G18 PolarHBondContact O-N 2.96Å; C6-Y19 VanDerWaalsContact SG-C 3.55Å; C6-S20 VanDerWaalsContact SG-CA 3.56Å; C6-S20 PolarHBondContact SG-N 2.65Å; C6-I129 VanDerWaalsContact SG-CD1 3.51Å; C6-I129 WeakPolarHBondContact SG-CG1 3.18Å; C6-I151 HydrophobicContact CB-CG2 4.38Å; C6-V152 CarbonylContact C-O 3.54Å; C6-V152 WeakPolarHBondContact CA-O 3.49Å; C6-V152 WeakPolarHBondContact CB-O 3.27Å; C6-Y153 HydrophobicContact CB-CD1 3.82Å; C6-Y153 HydrophobicContact CB-CE1 3.95Å; C6-Y153 HydrophobicContact CB-CG 4.41Å
7Y94.3Very high84.2Confident37 Ų3754 Ų5415%0.14532%0.319CS..EExtended strand (participates in β ladder)trans-134.7132.9-171.4-53.9-95.3000110V15 L16 P17 I151 V152 K155 P156Y7-V15 HydrophobicContact CD1-CG1 3.98Å; Y7-V15 HydrophobicContact CG-CG1 4.37Å; Y7-L16 WeakPolarHBondContact CA-O 3.42Å; Y7-P17 HydrophobicContact CD1-CB 3.95Å; Y7-P17 HydrophobicContact CE1-CB 3.95Å; Y7-I151 WeakPolarHBondContact O-CA 3.46Å; Y7-V152 PolarHBondContact N-O 2.66Å; Y7-V152 PolarHBondContact O-N 3.46Å; Y7-K155 HydrophobicContact CE1-CB 4.36Å; Y7-K155 HydrophobicContact CE1-CG 3.99Å; Y7-K155 VanDerWaalsContact CE2-CA 3.5Å; Y7-K155 HydrophobicContact CE2-CB 3.89Å; Y7-K155 HydrophobicContact CE2-CG 4.42Å; Y7-P156 HydrophobicContact CG-CG 4.39Å
8L95.5Very high84.7Confident0 Ų051.4 Ų51.40%031%0.306CS..EExtended strand (participates in β ladder)trans-90.8107166.4176.964.2000108.5L10 V15 L16 V100 I129 L137 I151L8-L10 HydrophobicContact CD1-CD2 4.34Å; L8-L10 HydrophobicContact CD2-CD2 4.34Å; L8-L10 HydrophobicContact CG-CD2 4.08Å; L8-V15 WeakPolarHBondContact O-CA 3.36Å; L8-L16 HydrophobicContact CB-CB 4.37Å; L8-L16 HydrophobicContact CD2-CD1 4.38Å; L8-L16 PolarHBondContact N-O 3.43Å; L8-L16 PolarHBondContact O-N 2.93Å; L8-V100 HydrophobicContact CD2-CG1 4.38Å; L8-V100 HydrophobicContact CD2-CG2 4.08Å; L8-I129 HydrophobicContact CB-CD1 4.29Å; L8-L137 HydrophobicContact CD2-CD2 3.72Å; L8-I151 HydrophobicContact CD1-CG1 4.12Å
9A94.1Very high85.2Confident0 Ų053.6 Ų53.60%031%0.309CS..EExtended strand (participates in β ladder)trans-95.1131.1174.100000110T14 V15 G149 K150 P156 L161 F166A9-T14 CarbonylContact C-O 3.52Å; A9-T14 WeakPolarHBondContact CA-O 3.12Å; A9-V15 HydrophobicContact CB-CG2 4.4Å; A9-G149 CarbonylContact O-C 3.59Å; A9-G149 VanDerWaalsContact O-CA 3.23Å; A9-G149 WeakPolarHBondContact O-CA 3.26Å; A9-K150 PolarHBondContact N-O 3.4Å; A9-K150 PolarHBondContact O-N 3.18Å; A9-P156 HydrophobicContact CB-CG 4.33Å; A9-L161 HydrophobicContact CB-CD1 3.59Å; A9-L161 HydrophobicContact CB-CG 3.92Å; A9-F166 WeakPolarHBondContact O-CE1 3.37Å
10L94.6Very high85.6Confident0 Ų051.4 Ų51.40%030%0.297CS..EExtended strand (participates in β ladder)trans-104.3156.5176.2-54.4-177000110.7L8 D12 G13 T14 V38 L137 K140 F166L8-L10 HydrophobicContact CD1-CD2 4.34Å; L8-L10 HydrophobicContact CD2-CD2 4.34Å; L8-L10 HydrophobicContact CG-CD2 4.08Å; L10-D12 WeakPolarHBondContact CB-OD1 3.45Å; L10-D12 PolarHBondContact O-N 3.07Å; L10-G13 PolarHBondContact O-N 3.05Å; L10-T14 HydrophobicContact CD1-CG2 4.32Å; L10-T14 PolarHBondContact N-O 3.23Å; L10-V38 HydrophobicContact CD2-CG2 3.85Å; L10-L137 HydrophobicContact CD1-CD1 3.98Å; L10-K140 HydrophobicContact CD1-CD 3.7Å; L10-F166 WeakPolarHBondContact O-CZ 3.47Å
11E92.9Very high86Confident66 Ų6649.6 Ų49.631%0.30829%0.285SS..THydrogen-bonded Turntrans-66.6-15.4-176.169.7-177.7147.700115.5G13 M147 L148 F166E11-G13 VanDerWaalsContact C-N 3.26Å; E11-M147 HydrophobicContact CG-CB 4.32Å; E11-M147 HydrophobicContact CG-CE 4.07Å; E11-M147 WeakPolarHBondContact OE1-CA 3.44Å; E11-L148 HydrophobicContact CB-CB 4.18Å; E11-L148 HydrophobicContact CG-CB 4.36Å; E11-L148 PolarHBondContact N-O 3.17Å; E11-L148 PolarHBondContact OE1-N 2.98Å; E11-F166 HydrophobicContact CB-CD1 4.31Å; E11-F166 HydrophobicContact CB-CD2 4.19Å; E11-F166 HydrophobicContact CB-CE1 4.4Å; E11-F166 HydrophobicContact CB-CE2 4.28Å; E11-F166 HydrophobicContact CB-CG 4.2Å; E11-F166 HydrophobicContact CB-CZ 4.39Å
12D91.6Very high88.9Confident65 Ų6540.2 Ų40.235%0.34824%0.242SC..THydrogen-bonded Turntrans-81.8-3.7172.272.1-14.7000113.4L10 T14 K140 Q144 M147L10-D12 WeakPolarHBondContact CB-OD1 3.45Å; L10-D12 PolarHBondContact O-N 3.07Å; D12-T14 WeakPolarHBondContact OD1-CB 3.4Å; D12-T14 PolarHBondContact OD1-N 2.67Å; D12-T14 PolarHBondContact OD1-OG1 2.9Å; D12-T14 PolarHBondContact OD2-OG1 3.49Å; D12-K140 IonicContact OD2-NZ 2.75Å; D12-K140 PolarHBondContact OD2-NZ 3.1Å; D12-Q144 PolarHBondContact OD2-OE1 3.13Å; D12-M147 HydrophobicContact CB-CE 3.52Å
13G90.6Very high91.1Very high21 Ų2136.9 Ų36.922%0.21621%0.208CC..SBendtrans96.3-2.4-177.300000114.5L10 E11 V15L10-G13 PolarHBondContact O-N 3.05Å; E11-G13 VanDerWaalsContact C-N 3.26Å; G13-V15 PolarHBondContact O-N 3.32Å
14T91.8Very high92.2Very high33 Ų3337.4 Ų37.420%0.20221%0.209CC..  trans-64.8134.2174.9-53.30000110.4A9 L10 D12 L16 K140A9-T14 CarbonylContact C-O 3.52Å; A9-T14 WeakPolarHBondContact CA-O 3.12Å; L10-T14 HydrophobicContact CD1-CG2 4.32Å; L10-T14 PolarHBondContact N-O 3.23Å; D12-T14 WeakPolarHBondContact OD1-CB 3.4Å; D12-T14 PolarHBondContact OD1-N 2.67Å; D12-T14 PolarHBondContact OD1-OG1 2.9Å; D12-T14 PolarHBondContact OD2-OG1 3.49Å; T14-L16 HydrophobicContact CG2-CD2 4.11Å; T14-L16 HydrophobicContact CG2-CG 4.21Å; T14-K140 HydrophobicContact CG2-CD 4.42Å; T14-K140 VanDerWaalsContact OG1-CE 3.27Å; T14-K140 WeakPolarHBondContact OG1-CE 3.48Å; T14-K140 PolarHBondContact OG1-NZ 2.88Å; T14-K140 VanDerWaalsContact OG1-NZ 3.1Å
15V92.7Very high92.2Very high48 Ų4834.5 Ų34.529%0.29119%0.191SC..EExtended strand (participates in β ladder)trans-127115.7176.6178.50000109.1Y7 L8 A9 G13 P156Y7-V15 HydrophobicContact CD1-CG1 3.98Å; Y7-V15 HydrophobicContact CG-CG1 4.37Å; L8-V15 WeakPolarHBondContact O-CA 3.36Å; A9-V15 HydrophobicContact CB-CG2 4.4Å; G13-V15 PolarHBondContact O-N 3.32Å; V15-P156 HydrophobicContact CG1-CB 4.25Å; V15-P156 HydrophobicContact CG1-CG 3.67Å; V15-P156 HydrophobicContact CG2-CB 3.83Å; V15-P156 HydrophobicContact CG2-CG 4.01Å
16L92.7Very high91.8Very high36 Ų3633.6 Ų33.619%0.18819%0.191CC..EExtended strand (participates in β ladder)trans-103.9113.8178.6-58.6174.9000109.6Y7 L8 T14 I132 L137Y7-L16 WeakPolarHBondContact CA-O 3.42Å; L8-L16 HydrophobicContact CB-CB 4.37Å; L8-L16 HydrophobicContact CD2-CD1 4.38Å; L8-L16 PolarHBondContact N-O 3.43Å; L8-L16 PolarHBondContact O-N 2.93Å; T14-L16 HydrophobicContact CG2-CD2 4.11Å; T14-L16 HydrophobicContact CG2-CG 4.21Å; L16-I132 HydrophobicContact CB-CD1 3.94Å; L16-I132 HydrophobicContact CD1-CG2 4.24Å; L16-L137 HydrophobicContact CD1-CB 4.19Å; L16-L137 HydrophobicContact CD1-CD1 3.97Å; L16-L137 HydrophobicContact CD1-CD2 4.27Å; L16-L137 HydrophobicContact CD1-CG 4.37Å
17P92.2Very high90.7Very high87 Ų8741.8 Ų41.857%0.56523%0.23SC*.EExtended strand (participates in β ladder)trans-75.3145.7176.131.9-33.8000111Y7 I132Y7-P17 HydrophobicContact CD1-CB 3.95Å; Y7-P17 HydrophobicContact CE1-CB 3.95Å; P17-I132 WeakPolarHBondContact O-CD1 3.31Å
18G93.3Very high89.3Confident7 Ų746.4 Ų46.47%0.07226%0.257CS..EExtended strand (participates in β ladder)trans-163.7-170174.900000111.9C6 Q130C6-G18 PolarHBondContact N-O 2.99Å; C6-G18 CarbonylContact O-C 3.52Å; C6-G18 PolarHBondContact O-N 2.96Å; G18-Q130 CarbonylContact C-O 3.49Å; G18-Q130 VanDerWaalsContact CA-O 3.24Å; G18-Q130 WeakPolarHBondContact CA-O 3.26Å
19Y93.9Very high87.7Confident94 Ų9450.2 Ų50.237%0.36928%0.275SS..EExtended strand (participates in β ladder)trans-112.6135.5-179-66.4-66.9000111.5S3 D5 C6 I129 Q130 D131S3-Y19 WeakPolarHBondContact OG-CD1 3.33Å; D5-Y19 VanDerWaalsContact OD1-CE1 3.29Å; D5-Y19 WeakPolarHBondContact OD1-CE1 3.49Å; C6-Y19 VanDerWaalsContact SG-C 3.55Å; Y19-I129 WeakPolarHBondContact O-CA 3.09Å; Y19-Q130 PolarHBondContact N-O 3.14Å; Y19-Q130 WeakPolarHBondContact O-CG 3.24Å; Y19-Q130 PolarHBondContact O-N 2.8Å; Y19-D131 HydrophobicContact CD2-CB 3.83Å; Y19-D131 HydrophobicContact CE2-CB 4.29Å
20S93.8Very high86.2Confident9 Ų951 Ų516%0.06328%0.28CS..EExtended strand (participates in β ladder)trans-74143.8179.259.40000112.3T4 C6 G128T4-S20 WeakPolarHBondContact CB-OG 3.46Å; T4-S20 PolarHBondContact N-OG 3.11Å; T4-S20 WeakPolarHBondContact O-CB 3.37Å; T4-S20 PolarHBondContact O-N 3.44Å; T4-S20 PolarHBondContact O-OG 3.15Å; C6-S20 VanDerWaalsContact SG-CA 3.56Å; C6-S20 PolarHBondContact SG-N 2.65Å; S20-G128 WeakPolarHBondContact CA-O 3.29Å
21F94.7Very high84.7Confident14 Ų1458.1 Ų58.16%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-142.2169.316570.4-86.9000109.6L99 V101 V104 P118 L121 G128 I129 Q130F21-L99 HydrophobicContact CE2-CD2 4.12Å; F21-L99 HydrophobicContact CZ-CD2 3.94Å; F21-L99 HydrophobicContact CZ-CG 4.27Å; F21-V101 HydrophobicContact CE1-CG2 3.72Å; F21-V101 HydrophobicContact CZ-CG2 3.79Å; F21-V104 HydrophobicContact CB-CG1 4.34Å; F21-V104 HydrophobicContact CD1-CB 4.49Å; F21-V104 HydrophobicContact CD1-CG1 4.22Å; F21-V104 HydrophobicContact CD2-CB 4.41Å; F21-V104 HydrophobicContact CD2-CG1 4.24Å; F21-V104 HydrophobicContact CD2-CG2 4.1Å; F21-V104 HydrophobicContact CE1-CB 4.37Å; F21-V104 HydrophobicContact CE2-CB 4.29Å; F21-V104 HydrophobicContact CE2-CG2 3.87Å; F21-V104 HydrophobicContact CG-CG1 4.03Å; F21-V104 HydrophobicContact CZ-CB 4.28Å; F21-V104 HydrophobicContact CZ-CG2 4.24Å; F21-P118 HydrophobicContact CD2-CB 4.34Å; F21-P118 HydrophobicContact CD2-CG 4.15Å; F21-L121 HydrophobicContact CD2-CD1 4.16Å; F21-L121 HydrophobicContact CE2-CD1 3.59Å; F21-L121 HydrophobicContact CZ-CD1 4.48Å; F21-G128 VanDerWaalsContact CD1-C 3.48Å; F21-G128 VanDerWaalsContact CE1-C 3.45Å; F21-G128 PolarHBondContact N-O 3.22Å; F21-G128 WeakPolarHBondContact O-CA 3.22Å; F21-G128 PolarHBondContact O-N 3.23Å; F21-I129 VanDerWaalsContact CE1-C 3.42Å; F21-I129 VanDerWaalsContact CE1-N 3.3Å; F21-Q130 HydrophobicContact CD1-CB 3.97Å; F21-Q130 HydrophobicContact CD1-CG 4.13Å; F21-Q130 HydrophobicContact CE1-CB 3.95Å
22G93.2Very high83.6Confident12 Ų1259.6 Ų59.612%0.12432%0.324CS..EExtended strand (participates in β ladder)trans76.1-132-17600000112.9V24 P118G22-V24 PolarHBondContact O-N 3.35Å; G22-P118 WeakPolarHBondContact CA-O 3.43Å
23Y92.9Very high83.1Confident34 Ų3457 Ų5713%0.13331%0.314CS..  trans-79.4115.1177.8-176-108.2000111.8P25 E29 F34 K125 V126 P127 Y153Y23-P25 HydrophobicContact CE1-CB 4.07Å; Y23-E29 PolarHBondContact OH-OE2 3.02Å; Y23-F34 HydrophobicContact CD1-CE2 4.38Å; Y23-F34 AromaticContact CD1-CZ 3.74Å; Y23-F34 HydrophobicContact CD1-CZ 3.74Å; Y23-F34 AromaticContact CE1-CZ 3.77Å; Y23-F34 HydrophobicContact CE1-CZ 3.77Å; Y23-K125 VanDerWaalsContact CB-C 3.41Å; Y23-K125 HydrophobicContact CD1-CB 4.14Å; Y23-K125 HydrophobicContact CD2-CB 3.93Å; Y23-K125 HydrophobicContact CD2-CG 3.99Å; Y23-K125 HydrophobicContact CE1-CB 4.26Å; Y23-K125 HydrophobicContact CE2-CB 4.03Å; Y23-K125 HydrophobicContact CE2-CD 4.22Å; Y23-K125 HydrophobicContact CE2-CG 3.79Å; Y23-K125 VanDerWaalsContact CG-CA 3.44Å; Y23-K125 HydrophobicContact CG-CB 3.97Å; Y23-V126 WeakPolarHBondContact CB-O 3.47Å; Y23-V126 PolarHBondContact N-O 2.8Å; Y23-P127 WeakPolarHBondContact O-CA 3.47Å; Y23-P127 WeakPolarHBondContact O-CB 3.35Å; Y23-Y153 PolarHBondContact O-OH 2.71Å
24V88.2Confident83.1Confident64 Ų6458.3 Ų58.339%0.38831%0.313SS..PPolyproline II helixtrans-97.6118.2167.7-176.70000108.1G22 Y153G22-V24 PolarHBondContact O-N 3.35Å; V24-Y153 HydrophobicContact CG1-CD1 4.32Å; V24-Y153 HydrophobicContact CG1-CE1 4.03Å
25P83.3Confident83.1Confident11 Ų1158.4 Ų58.47%0.07132%0.321CS..PPolyproline II helixtrans-65.8154.3-179.528-34.8000112Y23 E29 F34 Y153Y23-P25 HydrophobicContact CE1-CB 4.07Å; P25-E29 HydrophobicContact CB-CB 3.49Å; P25-E29 VanDerWaalsContact CB-CB 3.49Å; P25-F34 HydrophobicContact CB-CE2 4.05Å; P25-F34 HydrophobicContact CB-CZ 4.48Å; P25-F34 HydrophobicContact CG-CE2 3.94Å; P25-Y153 WeakPolarHBondContact CD-OH 3.13Å; P25-Y153 HydrophobicContact CG-CD2 3.52Å; P25-Y153 HydrophobicContact CG-CE1 4.5Å; P25-Y153 HydrophobicContact CG-CE2 3.28Å; P25-Y153 HydrophobicContact CG-CG 4.27Å
26S79.7Confident83.1Confident68 Ų6856.2 Ų56.248%0.47631%0.308SS..PPolyproline II helixtrans-67.7162.6169.964.40000111.9N28 E29 S30S26-N28 PolarHBondContact O-N 3.01Å; S26-E29 CarbonylContact O-C 3.6Å; S26-E29 WeakPolarHBondContact O-CA 3.39Å; S26-E29 PolarHBondContact O-N 2.92Å; S26-S30 PolarHBondContact O-N 3.01Å
27E69.5Low83.2Confident172 Ų17254.9 Ų54.980%0.80430%0.301SS*.THydrogen-bonded Turntrans-51.5-27-176.5-73.1-175.6169.700115.6S30E27-S30 VanDerWaalsContact C-OG 3.29Å; E27-S30 WeakPolarHBondContact CA-OG 3.37Å; E27-S30 PolarHBondContact O-OG 3.3Å
28N65Low83.5Confident134 Ų13450.7 Ų50.772%0.71727%0.274SS*.THydrogen-bonded Turntrans-82.3-34.7175.9-76.3-27.7000112.6S26S26-N28 PolarHBondContact O-N 3.01Å
29E61.5Low83.6Confident80 Ų8050.5 Ų50.537%0.37427%0.271SS..THydrogen-bonded Turntrans-78.1-29.1177.1-72.7177.3173.400111.5Y23 P25 S26 K31 V32 G33Y23-E29 PolarHBondContact OH-OE2 3.02Å; P25-E29 HydrophobicContact CB-CB 3.49Å; P25-E29 VanDerWaalsContact CB-CB 3.49Å; S26-E29 CarbonylContact O-C 3.6Å; S26-E29 WeakPolarHBondContact O-CA 3.39Å; S26-E29 PolarHBondContact O-N 2.92Å; E29-K31 PolarHBondContact O-N 3.04Å; E29-V32 PolarHBondContact O-N 3.44Å; E29-V32 VanDerWaalsContact O-N 3.08Å; E29-G33 PolarHBondContact O-N 3.22Å
30S61.5Low83.6Confident16 Ų1646.7 Ų46.711%0.11226%0.257CS..THydrogen-bonded Turntrans-61.8-29179.562.60000113.4S26 E27S26-S30 PolarHBondContact O-N 3.01Å; E27-S30 VanDerWaalsContact C-OG 3.29Å; E27-S30 WeakPolarHBondContact CA-OG 3.37Å; E27-S30 PolarHBondContact O-OG 3.3Å
31K63.7Low83.6Confident149 Ų14946.5 Ų46.565%0.64826%0.255SS*.THydrogen-bonded Turntrans-69.1-30.7174.7-70.6-175.3179.7177.50113.6E29E29-K31 PolarHBondContact O-N 3.04Å
32V70.4Confident83.5Confident97 Ų9746.4 Ų46.459%0.58826%0.255SS*.THydrogen-bonded Turntrans-81.8-36.1-177.2-1770000110.5E29 K150E29-V32 PolarHBondContact O-N 3.44Å; E29-V32 VanDerWaalsContact O-N 3.08Å; V32-K150 WeakPolarHBondContact O-CE 3.48Å; V32-K150 PolarHBondContact O-NZ 2.87Å
33G81.6Confident83.5Confident12 Ų1246 Ų4612%0.12425%0.252CS..  trans64.9174.5-175.800000113.6E29 I151E29-G33 PolarHBondContact O-N 3.22Å; G33-I151 CarbonylContact C-O 3.6Å; G33-I151 WeakPolarHBondContact CA-O 3.32Å
34F89.8Confident83.4Confident47 Ų4745.2 Ų45.221%0.20625%0.249CC..EExtended strand (participates in β ladder)trans-114.3110.3-178.1-67.3-100.2000109.8Y23 P25 T97 P127 K150 I151 Y153Y23-F34 HydrophobicContact CD1-CE2 4.38Å; Y23-F34 AromaticContact CD1-CZ 3.74Å; Y23-F34 HydrophobicContact CD1-CZ 3.74Å; Y23-F34 AromaticContact CE1-CZ 3.77Å; Y23-F34 HydrophobicContact CE1-CZ 3.77Å; P25-F34 HydrophobicContact CB-CE2 4.05Å; P25-F34 HydrophobicContact CB-CZ 4.48Å; P25-F34 HydrophobicContact CG-CE2 3.94Å; F34-T97 HydrophobicContact CB-CG2 4.38Å; F34-P127 HydrophobicContact CB-CG 3.83Å; F34-P127 HydrophobicContact CD1-CG 3.84Å; F34-P127 HydrophobicContact CD2-CB 4.23Å; F34-P127 HydrophobicContact CD2-CG 3.64Å; F34-P127 HydrophobicContact CE1-CG 4.28Å; F34-P127 HydrophobicContact CE2-CB 4.41Å; F34-P127 HydrophobicContact CE2-CG 4.09Å; F34-P127 HydrophobicContact CG-CG 3.51Å; F34-P127 HydrophobicContact CZ-CG 4.39Å; F34-K150 CarbonylContact O-C 3.58Å; F34-K150 VanDerWaalsContact O-CA 3.28Å; F34-K150 WeakPolarHBondContact O-CA 3.34Å; F34-I151 PolarHBondContact N-O 3.42Å; F34-I151 PolarHBondContact O-N 3.2Å; F34-Y153 HydrophobicContact CD2-CE2 4.46Å; F34-Y153 HydrophobicContact CE2-CE2 4.49Å
35G91.2Very high83.7Confident36 Ų3642.6 Ų42.637%0.37123%0.233SC..EExtended strand (participates in β ladder)trans-109.7145.6-174.400000113.5G149G35-G149 VanDerWaalsContact CA-O 3.26Å; G35-G149 WeakPolarHBondContact CA-O 3.3Å
36G93.9Very high84.2Confident2 Ų242.1 Ų42.12%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-172.3179.4177.200000112V38 G58 G149G36-V38 PolarHBondContact O-N 3.12Å; G36-G58 WeakPolarHBondContact CA-O 3.49Å; G36-G149 PolarHBondContact N-O 3.47Å; G36-G149 PolarHBondContact O-N 3.41Å
37E95Very high84.9Confident7 Ų739.1 Ų39.13%0.03321%0.209CC..EExtended strand (participates in β ladder)trans-76.7119171.9178.7-176.4-159.300109.1V39 G58 Q59 I60 S146 M147 L148 P169 N170 K285E37-V39 HydrophobicContact CG-CG1 3.96Å; E37-V39 PolarHBondContact O-N 3.22Å; E37-G58 PolarHBondContact N-O 3.21Å; E37-Q59 HydrophobicContact CB-CG 4.24Å; E37-Q59 CarbonylContact O-C 3.52Å; E37-Q59 WeakPolarHBondContact O-CA 3.29Å; E37-Q59 WeakPolarHBondContact O-CB 3.16Å; E37-Q59 PolarHBondContact OE2-NE2 3.08Å; E37-I60 PolarHBondContact O-N 2.89Å; E37-S146 PolarHBondContact OE1-OG 3.45Å; E37-S146 VanDerWaalsContact OE1-OG 3.09Å; E37-M147 CarbonylContact C-O 3.59Å; E37-L148 HydrophobicContact CB-CD2 4.37Å; E37-P169 HydrophobicContact CB-CG 3.87Å; E37-N170 PolarHBondContact OE2-ND2 3.35Å; E37-K285 WeakPolarHBondContact OE1-CE 3.33Å; E37-K285 IonicContact OE1-NZ 3.77Å; E37-K285 PolarHBondContact OE1-NZ 3.11Å; E37-K285 IonicContact OE2-NZ 2.72Å
38V96.6Very high86.1Confident0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-77.8120.4178.4-171.90000109.1L10 G36 I60 V62 L141 M147 G149L10-V38 HydrophobicContact CD2-CG2 3.85Å; G36-V38 PolarHBondContact O-N 3.12Å; V38-I60 WeakPolarHBondContact CA-O 3.48Å; V38-I60 HydrophobicContact CG2-CB 4.19Å; V38-I60 HydrophobicContact CG2-CD1 4.28Å; V38-I60 HydrophobicContact CG2-CG2 4.49Å; V38-V62 HydrophobicContact CG1-CG2 3.62Å; V38-L141 HydrophobicContact CB-CD2 4.29Å; V38-L141 HydrophobicContact CG1-CD1 3.88Å; V38-L141 HydrophobicContact CG1-CD2 4.24Å; V38-M147 PolarHBondContact N-O 3.42Å; V38-G149 VanDerWaalsContact CG2-CA 3.47Å
39V95.5Very high87.4Confident2 Ų225 Ų251%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-133149.6-179.2-56.90000109E37 Y56 Q59 I60 L61 V62E37-V39 HydrophobicContact CG-CG1 3.96Å; E37-V39 PolarHBondContact O-N 3.22Å; V39-Y56 HydrophobicContact CG2-CD1 4.19Å; V39-Y56 HydrophobicContact CG2-CE1 4.23Å; V39-Q59 HydrophobicContact CG1-CG 4.35Å; V39-Q59 HydrophobicContact CG2-CB 4Å; V39-I60 PolarHBondContact N-O 2.88Å; V39-L61 HydrophobicContact CG2-CD1 4.14Å; V39-V62 WeakPolarHBondContact O-CB 3.34Å; V39-V62 PolarHBondContact O-N 2.87Å
40F95Very high88.9Confident15 Ų1521.2 Ų21.27%0.06612%0.121CC..EExtended strand (participates in β ladder)trans-109.8152.2175.865.3-88.7000111.4T42 V62 T64 T138 L141 R142 Y288 R291F40-T42 HydrophobicContact CD2-CG2 4.22Å; F40-T42 HydrophobicContact CE2-CG2 4.26Å; F40-V62 CarbonylContact C-O 3.56Å; F40-V62 WeakPolarHBondContact CA-O 3.46Å; F40-V62 HydrophobicContact CB-CB 4.02Å; F40-V62 HydrophobicContact CB-CG1 4.48Å; F40-T64 HydrophobicContact CB-CG2 4.21Å; F40-T64 HydrophobicContact CD2-CG2 4.08Å; F40-T138 HydrophobicContact CD1-CG2 4.22Å; F40-T138 HydrophobicContact CD2-CG2 3.8Å; F40-T138 HydrophobicContact CE1-CG2 4.39Å; F40-T138 HydrophobicContact CE2-CG2 3.99Å; F40-T138 HydrophobicContact CG-CG2 3.93Å; F40-T138 HydrophobicContact CZ-CG2 4.3Å; F40-L141 HydrophobicContact CB-CD1 4.36Å; F40-L141 HydrophobicContact CD1-CB 3.75Å; F40-L141 HydrophobicContact CD1-CD1 3.85Å; F40-L141 HydrophobicContact CD1-CG 4.47Å; F40-L141 HydrophobicContact CE1-CB 3.92Å; F40-R142 HydrophobicContact CE1-CG 4.13Å; F40-R142 HydrophobicContact CZ-CG 3.85Å; F40-Y288 HydrophobicContact CE1-CG 4.48Å; F40-Y288 HydrophobicContact CZ-CD2 4.09Å; F40-Y288 HydrophobicContact CZ-CG 4.4Å; F40-R291 WeakPolarHBondContact O-CB 3.43Å; F40-R291 WeakPolarHBondContact O-CD 3.47Å
41Q93.8Very high90.5Very high4 Ų420.5 Ų20.52%0.01912%0.116CC..EExtended strand (participates in β ladder)trans-131.4137.3175.8-178.8-80.5-9.200109.5G43 L61 V62 L63 T64 R291 H293Q41-G43 VanDerWaalsContact OE1-N 3.15Å; Q41-G43 PolarHBondContact OE1-O 3.37Å; Q41-L61 HydrophobicContact CB-CD1 3.83Å; Q41-V62 PolarHBondContact N-O 2.85Å; Q41-L63 HydrophobicContact CB-CD2 4.24Å; Q41-T64 WeakPolarHBondContact O-CG2 3.34Å; Q41-T64 PolarHBondContact O-N 3.2Å; Q41-T64 VanDerWaalsContact O-N 3.12Å; Q41-T64 PolarHBondContact O-OG1 3.42Å; Q41-R291 VanDerWaalsContact CA-O 3.27Å; Q41-R291 WeakPolarHBondContact CA-O 3.07Å; Q41-R291 HydrophobicContact CB-CB 4.32Å; Q41-H293 PolarHBondContact NE2-CD2 2.93Å; Q41-H293 PolarHBondContact NE2-CE1 3.31Å; Q41-H293 PolarHBondContact NE2-NE2 3.08Å
42T93Very high92Very high12 Ų1213.4 Ų13.47%0.0749%0.085CC..  trans-98.3-4.8-167.257.50000116F40 T64 R291 G292 S743 V920F40-T42 HydrophobicContact CD2-CG2 4.22Å; F40-T42 HydrophobicContact CE2-CG2 4.26Å; T42-T64 WeakPolarHBondContact CA-OG1 3.27Å; T42-T64 HydrophobicContact CG2-CG2 4.23Å; T42-R291 PolarHBondContact N-O 3.49Å; T42-R291 VanDerWaalsContact N-O 3.07Å; T42-R291 PolarHBondContact OG1-O 3.24Å; T42-G292 VanDerWaalsContact OG1-CA 3.3Å; T42-G292 WeakPolarHBondContact OG1-CA 3.44Å; T42-S743 VanDerWaalsContact O-CB 3.25Å; T42-S743 WeakPolarHBondContact O-CB 3.41Å; T42-S743 PolarHBondContact O-OG 3.29Å; T42-V920 WeakPolarHBondContact CB-O 3.42Å; T42-V920 WeakPolarHBondContact CG2-O 3.37Å
43G91.5Very high93.1Very high5 Ų58.8 Ų8.85%0.0526%0.057CC..  trans-69.6137-178.500000112.4Q41 V45Q41-G43 VanDerWaalsContact OE1-N 3.15Å; Q41-G43 PolarHBondContact OE1-O 3.37Å; G43-V45 VanDerWaalsContact C-N 3.3Å
44M92.3Very high93.7Very high17 Ų179.2 Ų9.28%0.0846%0.055CC..SBendtrans-79.3-15-179.6-58.8178.1-67.600113P646 L744M44-P646 HydrophobicContact CB-CG 4.36Å; M44-P646 HydrophobicContact CE-CB 4.19Å; M44-P646 HydrophobicContact CG-CG 4.4Å; M44-P646 HydrophobicContact SD-CB 3.56Å; M44-P646 VanDerWaalsContact SD-CB 3.56Å; M44-P646 HydrophobicContact SD-CG 3.73Å; M44-L744 HydrophobicContact SD-CB 3.96Å; M44-L744 HydrophobicContact SD-CG 4.07Å; M44-L744 PolarHBondContact SD-N 3.35Å
45V93.5Very high93.8Very high8 Ų87.2 Ų7.25%0.0485%0.047CC..SBendtrans-139171.7177.2-670000109.4G43 Y71 H293 D652 Y655G43-V45 VanDerWaalsContact C-N 3.3Å; V45-Y71 HydrophobicContact CB-CE1 4.37Å; V45-Y71 HydrophobicContact CG1-CE1 4.22Å; V45-H293 PolarHBondContact O-CE1 3.09Å; V45-H293 PolarHBondContact O-ND1 3.08Å; V45-D652 HydrophobicContact CB-CB 4.23Å; V45-D652 HydrophobicContact CG2-CB 4.17Å; V45-D652 WeakPolarHBondContact CG2-OD1 3.32Å; V45-Y655 HydrophobicContact CG1-CD2 4.33Å; V45-Y655 HydrophobicContact CG2-CD1 4.09Å; V45-Y655 HydrophobicContact CG2-CD2 4.08Å; V45-Y655 HydrophobicContact CG2-CG 3.81Å
46G93.4Very high94Very high1 Ų15.6 Ų5.61%0.013%0.03CC..  trans93.220.917500000114.9T48 E49 A50 Y71G46-T48 VanDerWaalsContact C-N 3.28Å; G46-T48 PolarHBondContact O-N 3.29Å; G46-E49 VanDerWaalsContact C-OE2 3.3Å; G46-E49 WeakPolarHBondContact CA-OE2 3.35Å; G46-E49 PolarHBondContact O-N 3.14Å; G46-A50 WeakPolarHBondContact O-CB 3.46Å; G46-A50 PolarHBondContact O-N 2.92Å; G46-Y71 PolarHBondContact N-OH 3.15Å
47Y94.6Very high94Very high5 Ų56 Ų62%0.023%0.032CC..Hα-helixtrans-64.8-28.6-177.158.5-108.8000113.2L51 I68 G69 Y71 G72 L117Y47-L51 WeakPolarHBondContact O-CB 3.28Å; Y47-L51 VanDerWaalsContact O-CD1 3.3Å; Y47-L51 WeakPolarHBondContact O-CD1 3.19Å; Y47-L51 WeakPolarHBondContact O-CG 3.46Å; Y47-L51 PolarHBondContact O-N 3.19Å; Y47-I68 HydrophobicContact CD1-CG2 3.83Å; Y47-I68 HydrophobicContact CE1-CG2 4.37Å; Y47-I68 HydrophobicContact CG-CG2 4Å; Y47-G69 WeakPolarHBondContact OH-CA 3.49Å; Y47-Y71 AromaticContact CD1-CE1 3.89Å; Y47-Y71 HydrophobicContact CD1-CE1 3.89Å; Y47-Y71 HydrophobicContact CD1-CE2 4.34Å; Y47-Y71 AromaticContact CD1-CZ 3.58Å; Y47-Y71 VanDerWaalsContact CD1-OH 3.24Å; Y47-Y71 WeakPolarHBondContact CD1-OH 3.2Å; Y47-Y71 AromaticContact CE1-CD1 3.86Å; Y47-Y71 HydrophobicContact CE1-CD1 3.86Å; Y47-Y71 HydrophobicContact CE1-CD2 4.2Å; Y47-Y71 AromaticContact CE1-CE1 3.24Å; Y47-Y71 HydrophobicContact CE1-CE1 3.24Å; Y47-Y71 AromaticContact CE1-CE2 3.63Å; Y47-Y71 HydrophobicContact CE1-CE2 3.63Å; Y47-Y71 HydrophobicContact CE1-CG 4.3Å; Y47-Y71 AromaticContact CE1-CZ 3.1Å; Y47-Y71 WeakPolarHBondContact CE1-OH 3.22Å; Y47-Y71 AromaticContact CE2-CE2 3.97Å; Y47-Y71 HydrophobicContact CE2-CE2 3.97Å; Y47-Y71 AromaticContact CZ-CD2 3.78Å; Y47-Y71 AromaticContact CZ-CE1 3.85Å; Y47-Y71 AromaticContact CZ-CE2 3.36Å; Y47-Y71 AromaticContact CZ-CZ 3.4Å; Y47-Y71 VanDerWaalsContact CZ-CZ 3.4Å; Y47-Y71 PolarHBondContact N-OH 2.92Å; Y47-Y71 WeakPolarHBondContact OH-CD2 3.44Å; Y47-Y71 VanDerWaalsContact OH-CE2 3.3Å; Y47-Y71 WeakPolarHBondContact OH-CE2 3.33Å; Y47-Y71 PolarHBondContact OH-N 2.57Å; Y47-G72 PolarHBondContact OH-N 3.09Å; Y47-G72 PolarHBondContact OH-O 3.41Å; Y47-L117 HydrophobicContact CD2-CD1 4.39Å; Y47-L117 HydrophobicContact CD2-CD2 4.37Å; Y47-L117 HydrophobicContact CE2-CD2 4.48Å
48T94.5Very high93.9Very high2 Ų26.1 Ų6.11%0.0124%0.035CC..Hα-helixtrans-70.1-42.7178.627.60000112.5G46 T52 V73 F87 W120G46-T48 VanDerWaalsContact C-N 3.28Å; G46-T48 PolarHBondContact O-N 3.29Å; T48-T52 PolarHBondContact O-N 3.03Å; T48-T52 PolarHBondContact O-OG1 3.19Å; T48-V73 HydrophobicContact CG2-CB 4.22Å; T48-V73 HydrophobicContact CG2-CG1 3.96Å; T48-V73 HydrophobicContact CG2-CG2 3.93Å; T48-F87 HydrophobicContact CG2-CE1 4.41Å; T48-W120 HydrophobicContact CG2-CH2 4.47Å; T48-W120 HydrophobicContact CG2-CZ3 4.36Å
49E93.4Very high93.9Very high8 Ų86.7 Ų6.74%0.0374%0.037CC..Hα-helixtrans-70.2-48.4178.5-63.680.517600109.6G46 L51 T52 D53 E88 H357 A358G46-E49 VanDerWaalsContact C-OE2 3.3Å; G46-E49 WeakPolarHBondContact CA-OE2 3.35Å; G46-E49 PolarHBondContact O-N 3.14Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 2.73Å; E49-T52 CarbonylContact O-C 3.54Å; E49-T52 PolarHBondContact O-N 3.44Å; E49-T52 VanDerWaalsContact O-N 3.11Å; E49-T52 PolarHBondContact O-OG1 3.31Å; E49-D53 PolarHBondContact O-N 3.46Å; E49-E88 HydrophobicContact CB-CG 4.38Å; E49-H357 HydrophobicContact CG-CB 4.19Å; E49-A358 HydrophobicContact CB-CB 3.42Å; E49-A358 VanDerWaalsContact CB-CB 3.42Å; E49-A358 HydrophobicContact CG-CB 3.82Å
50A93.3Very high93.9Very high1 Ų16.6 Ų6.61%0.0084%0.037CC..Hα-helixtrans-59.1-43175.900000111.8G46 T52 D53 Y56 L61G46-A50 WeakPolarHBondContact O-CB 3.46Å; G46-A50 PolarHBondContact O-N 2.92Å; A50-T52 PolarHBondContact O-N 3Å; A50-D53 WeakPolarHBondContact O-CB 3.41Å; A50-D53 PolarHBondContact O-N 2.96Å; A50-Y56 HydrophobicContact CB-CE2 4Å; A50-Y56 WeakPolarHBondContact O-CD2 3.42Å; A50-L61 HydrophobicContact CB-CD2 4.22Å
51L95.4Very high94Very high0 Ų05.9 Ų5.90%03%0.034CC..Hα-helixtrans-67.3-23.8178.5-77.3169.3000113.5Y47 E49 L61 V94 Q95 A96 L99 L117 W120 L121Y47-L51 WeakPolarHBondContact O-CB 3.28Å; Y47-L51 VanDerWaalsContact O-CD1 3.3Å; Y47-L51 WeakPolarHBondContact O-CD1 3.19Å; Y47-L51 WeakPolarHBondContact O-CG 3.46Å; Y47-L51 PolarHBondContact O-N 3.19Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 2.73Å; L51-L61 HydrophobicContact CD2-CD2 4.32Å; L51-V94 HydrophobicContact CB-CG1 4.17Å; L51-V94 HydrophobicContact CD2-CG1 4.16Å; L51-V94 CarbonylContact O-C 3.52Å; L51-V94 WeakPolarHBondContact O-CA 2.88Å; L51-V94 WeakPolarHBondContact O-CG1 3.33Å; L51-Q95 PolarHBondContact O-N 3.02Å; L51-A96 HydrophobicContact CD2-CB 3.8Å; L51-L99 HydrophobicContact CD1-CD2 4.21Å; L51-L99 HydrophobicContact CD2-CB 4.48Å; L51-L99 HydrophobicContact CD2-CD1 4.31Å; L51-L117 HydrophobicContact CD1-CD1 3.95Å; L51-W120 HydrophobicContact CB-CH2 3.98Å; L51-W120 HydrophobicContact CB-CZ3 3.97Å; L51-W120 HydrophobicContact CD1-CZ3 3.72Å; L51-L121 HydrophobicContact CD1-CD2 4.21Å
52T95Very high94.1Very high0 Ų05.7 Ų5.70%03%0.033CC..Hα-helixtrans-97.8-3.3176.753.40000113.6T48 E49 A50 R54 F87 E88 W89 Q95 W120T48-T52 PolarHBondContact O-N 3.03Å; T48-T52 PolarHBondContact O-OG1 3.19Å; E49-T52 CarbonylContact O-C 3.54Å; E49-T52 PolarHBondContact O-N 3.44Å; E49-T52 VanDerWaalsContact O-N 3.11Å; E49-T52 PolarHBondContact O-OG1 3.31Å; A50-T52 PolarHBondContact O-N 3Å; T52-R54 PolarHBondContact O-N 3.35Å; T52-F87 HydrophobicContact CG2-CB 4.16Å; T52-F87 HydrophobicContact CG2-CD1 3.65Å; T52-F87 HydrophobicContact CG2-CE1 4.47Å; T52-F87 HydrophobicContact CG2-CG 4.25Å; T52-E88 PolarHBondContact OG1-N 3.08Å; T52-W89 WeakPolarHBondContact O-CB 3.37Å; T52-Q95 VanDerWaalsContact O-CG 3.3Å; T52-Q95 WeakPolarHBondContact O-CG 3.17Å; T52-W120 HydrophobicContact CG2-CH2 3.81Å; T52-W120 HydrophobicContact CG2-CZ2 3.75Å
53D93.8Very high94.3Very high0 Ų05.2 Ų5.20%03%0.03CC..  trans-73.2119.2174.8172.713.4000110.8E49 A50 S55 Y56 E88 Q95 K204 N311E49-D53 PolarHBondContact O-N 3.46Å; A50-D53 WeakPolarHBondContact O-CB 3.41Å; A50-D53 PolarHBondContact O-N 2.96Å; D53-S55 PolarHBondContact O-N 3.23Å; D53-S55 VanDerWaalsContact OD1-CB 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.27Å; D53-S55 PolarHBondContact OD1-N 2.71Å; D53-S55 PolarHBondContact OD1-OG 2.68Å; D53-Y56 HydrophobicContact CB-CD2 3.89Å; D53-Y56 HydrophobicContact CB-CE2 4.27Å; D53-Y56 PolarHBondContact O-N 3.13Å; D53-Y56 VanDerWaalsContact O-N 3.08Å; D53-E88 HydrophobicContact CB-CB 4.43Å; D53-Q95 WeakPolarHBondContact O-CB 3.41Å; D53-K204 WeakPolarHBondContact OD1-CE 3.32Å; D53-K204 IonicContact OD1-NZ 3.61Å; D53-K204 WeakPolarHBondContact OD2-CE 3.25Å; D53-K204 IonicContact OD2-NZ 2.91Å; D53-K204 PolarHBondContact OD2-NZ 2.89Å; D53-N311 PolarHBondContact OD2-ND2 2.86Å
54R93.1Very high94.5Very high22 Ų225 Ų58%0.0833%0.028CC..G310 helixtrans-64.1-20.7-180-75.6176.9149.9-156.4-14114.1T52 Y56 S57 W89 Q95 C178 D200 G202 P241T52-R54 PolarHBondContact O-N 3.35Å; R54-Y56 PolarHBondContact O-N 3.22Å; R54-S57 VanDerWaalsContact O-CB 3.28Å; R54-S57 WeakPolarHBondContact O-CB 3.32Å; R54-S57 PolarHBondContact O-N 2.91Å; R54-S57 PolarHBondContact O-OG 3Å; R54-W89 HydrophobicContact CG-CD2 4.4Å; R54-W89 HydrophobicContact CG-CG 4.34Å; R54-W89 VanDerWaalsContact NH1-CZ3 3.26Å; R54-Q95 HydrophobicContact CB-CG 4.44Å; R54-Q95 HydrophobicContact CG-CG 3.68Å; R54-C178 PolarHBondContact NH1-O 3.25Å; R54-C178 PolarHBondContact NH2-O 2.94Å; R54-D200 IonicContact NH1-OD1 3.36Å; R54-D200 IonicContact NH1-OD2 2.57Å; R54-D200 PolarHBondContact NH1-OD2 2.8Å; R54-G202 WeakPolarHBondContact CB-O 3.37Å; R54-P241 WeakPolarHBondContact O-CB 3.3Å; R54-P241 VanDerWaalsContact O-CG 3.32Å; R54-P241 WeakPolarHBondContact O-CG 3.49Å
55S93Very high94.6Very high5 Ų54.2 Ų4.24%0.0352%0.024CC..G310 helixtrans-60.1-22.8172-70.10000112.8D53 S57 N239 N311D53-S55 PolarHBondContact O-N 3.23Å; D53-S55 VanDerWaalsContact OD1-CB 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.27Å; D53-S55 PolarHBondContact OD1-N 2.71Å; D53-S55 PolarHBondContact OD1-OG 2.68Å; S55-S57 VanDerWaalsContact C-N 3.35Å; S55-N239 PolarHBondContact OG-ND2 3.36Å; S55-N311 VanDerWaalsContact CB-ND2 3.33Å; S55-N311 WeakPolarHBondContact CB-ND2 3.34Å
56Y94Very high94.3Very high2 Ų24 Ų41%0.0082%0.022CC..G310 helixtrans-87.64.9174.6-67.6-70000114.4V39 A50 D53 R54 G58 Q59 L61 N311V39-Y56 HydrophobicContact CG2-CD1 4.19Å; V39-Y56 HydrophobicContact CG2-CE1 4.23Å; A50-Y56 HydrophobicContact CB-CE2 4Å; A50-Y56 WeakPolarHBondContact O-CD2 3.42Å; D53-Y56 HydrophobicContact CB-CD2 3.89Å; D53-Y56 HydrophobicContact CB-CE2 4.27Å; D53-Y56 PolarHBondContact O-N 3.13Å; D53-Y56 VanDerWaalsContact O-N 3.08Å; R54-Y56 PolarHBondContact O-N 3.22Å; Y56-G58 PolarHBondContact O-N 3.37Å; Y56-Q59 WeakPolarHBondContact O-CB 3.27Å; Y56-Q59 PolarHBondContact O-N 2.87Å; Y56-L61 HydrophobicContact CD1-CD1 3.91Å; Y56-L61 HydrophobicContact CE1-CD1 3.5Å; Y56-N311 WeakPolarHBondContact CD2-ND2 3.47Å; Y56-N311 WeakPolarHBondContact CE1-OD1 3.47Å; Y56-N311 WeakPolarHBondContact CE2-ND2 3.36Å; Y56-N311 VanDerWaalsContact CZ-OD1 3.29Å; Y56-N311 PolarHBondContact OH-OD1 3.1Å
57S94.1Very high94.3Very high11 Ų114.2 Ų4.28%0.0772%0.023CC..BIsolated β-bridgetrans-59.8128.5179.8-57.90000111.2R54 S55 Q59 C178R54-S57 VanDerWaalsContact O-CB 3.28Å; R54-S57 WeakPolarHBondContact O-CB 3.32Å; R54-S57 PolarHBondContact O-N 2.91Å; R54-S57 PolarHBondContact O-OG 3Å; S55-S57 VanDerWaalsContact C-N 3.35Å; S57-Q59 VanDerWaalsContact C-N 3.27Å; S57-Q59 PolarHBondContact O-N 2.94Å; S57-C178 PolarHBondContact OG-SG 3.44Å
58G93.4Very high94.3Very high8 Ų84.1 Ų4.18%0.0822%0.023CC..THydrogen-bonded Turntrans80.90.4-176.200000114.7G36 E37 Y56 T97 P169G36-G58 WeakPolarHBondContact CA-O 3.49Å; E37-G58 PolarHBondContact N-O 3.21Å; Y56-G58 PolarHBondContact O-N 3.37Å; G58-T97 VanDerWaalsContact C-OG1 3.3Å; G58-T97 VanDerWaalsContact CA-OG1 3.31Å; G58-T97 WeakPolarHBondContact CA-OG1 3.38Å; G58-P169 WeakPolarHBondContact O-CG 3.45Å
59Q95.5Very high94.3Very high12 Ų124 Ų46%0.0562%0.022CC..EExtended strand (participates in β ladder)trans-103.8148.7179.3-62.1177-9.900111.8E37 V39 Y56 S57 T97E37-Q59 HydrophobicContact CB-CG 4.24Å; E37-Q59 CarbonylContact O-C 3.52Å; E37-Q59 WeakPolarHBondContact O-CA 3.29Å; E37-Q59 WeakPolarHBondContact O-CB 3.16Å; E37-Q59 PolarHBondContact OE2-NE2 3.08Å; V39-Q59 HydrophobicContact CG1-CG 4.35Å; V39-Q59 HydrophobicContact CG2-CB 4Å; Y56-Q59 WeakPolarHBondContact O-CB 3.27Å; Y56-Q59 PolarHBondContact O-N 2.87Å; S57-Q59 VanDerWaalsContact C-N 3.27Å; S57-Q59 PolarHBondContact O-N 2.94Å; Q59-T97 WeakPolarHBondContact O-CB 3.38Å; Q59-T97 PolarHBondContact O-N 2.72Å
60I96.8Very high94.3Very high0 Ų03.9 Ų3.90%02%0.022CC..EExtended strand (participates in β ladder)trans-95.7115.9168-62.8178.1000106.6E37 V38 V39 A98 V100 G149E37-I60 PolarHBondContact O-N 2.89Å; V38-I60 WeakPolarHBondContact CA-O 3.48Å; V38-I60 HydrophobicContact CG2-CB 4.19Å; V38-I60 HydrophobicContact CG2-CD1 4.28Å; V38-I60 HydrophobicContact CG2-CG2 4.49Å; V39-I60 PolarHBondContact N-O 2.88Å; I60-A98 HydrophobicContact CG1-CB 4.15Å; I60-A98 HydrophobicContact CG2-CB 4.14Å; I60-V100 HydrophobicContact CG2-CG2 3.64Å; I60-G149 VanDerWaalsContact CD1-O 3.3Å; I60-G149 WeakPolarHBondContact CD1-O 3.32Å
61L96.4Very high94.3Very high0 Ų04.1 Ų4.10%02%0.023CC..EExtended strand (participates in β ladder)trans-91.1122.9-173.4-174.359000110.9V39 Q41 A50 L51 Y56 L63 A96 A98 L99 V100V39-L61 HydrophobicContact CG2-CD1 4.14Å; Q41-L61 HydrophobicContact CB-CD1 3.83Å; A50-L61 HydrophobicContact CB-CD2 4.22Å; L51-L61 HydrophobicContact CD2-CD2 4.32Å; Y56-L61 HydrophobicContact CD1-CD1 3.91Å; Y56-L61 HydrophobicContact CE1-CD1 3.5Å; L61-L63 HydrophobicContact CD1-CD2 4.48Å; L61-L63 HydrophobicContact CD2-CD2 3.96Å; L61-L63 HydrophobicContact CG-CD2 3.98Å; L61-A96 HydrophobicContact CB-CB 4.37Å; L61-A98 PolarHBondContact N-O 3.39Å; L61-L99 CarbonylContact O-C 3.43Å; L61-L99 WeakPolarHBondContact O-CA 3.35Å; L61-V100 PolarHBondContact O-N 3.11Å
62V96.9Very high94.3Very high0 Ų04.1 Ų4.10%02%0.023CC..EExtended strand (participates in β ladder)trans-101.3119.1171.3-173.90000108.3V38 V39 F40 Q41 V100 T134 L137 L141V38-V62 HydrophobicContact CG1-CG2 3.62Å; V39-V62 WeakPolarHBondContact O-CB 3.34Å; V39-V62 PolarHBondContact O-N 2.87Å; F40-V62 CarbonylContact C-O 3.56Å; F40-V62 WeakPolarHBondContact CA-O 3.46Å; F40-V62 HydrophobicContact CB-CB 4.02Å; F40-V62 HydrophobicContact CB-CG1 4.48Å; Q41-V62 PolarHBondContact N-O 2.85Å; V62-V100 WeakPolarHBondContact CA-O 3.36Å; V62-V100 HydrophobicContact CB-CB 4.32Å; V62-V100 HydrophobicContact CG1-CB 4.35Å; V62-V100 HydrophobicContact CG1-CG1 4.24Å; V62-V100 HydrophobicContact CG2-CB 3.94Å; V62-V100 HydrophobicContact CG2-CG1 4.28Å; V62-V100 HydrophobicContact CG2-CG2 4.22Å; V62-T134 HydrophobicContact CG1-CG2 4.2Å; V62-L137 HydrophobicContact CB-CD2 4.44Å; V62-L137 HydrophobicContact CG1-CD2 3.93Å; V62-L137 HydrophobicContact CG1-CG 4.47Å; V62-L137 HydrophobicContact CG2-CD2 3.6Å; V62-L137 HydrophobicContact CG2-CG 4.31Å; V62-L141 HydrophobicContact CG2-CD1 4.42Å
63L96.6Very high94.3Very high2 Ų24.1 Ų4.11%0.012%0.023CC..EExtended strand (participates in β ladder)trans-91.9126171.8-58.3178.9000108.5Q41 L61 I68 L99 V100 V101Q41-L63 HydrophobicContact CB-CD2 4.24Å; L61-L63 HydrophobicContact CD1-CD2 4.48Å; L61-L63 HydrophobicContact CD2-CD2 3.96Å; L61-L63 HydrophobicContact CG-CD2 3.98Å; L63-I68 HydrophobicContact CB-CD1 3.99Å; L63-I68 HydrophobicContact CB-CG1 4.06Å; L63-I68 HydrophobicContact CD1-CB 4.46Å; L63-I68 HydrophobicContact CD1-CD1 3.75Å; L63-I68 HydrophobicContact CD1-CG1 3.87Å; L63-I68 HydrophobicContact CD1-CG2 3.75Å; L63-L99 HydrophobicContact CD1-CD1 3.81Å; L63-L99 HydrophobicContact CG-CD1 3.88Å; L63-V100 PolarHBondContact N-O 2.81Å; L63-V101 HydrophobicContact CB-CG1 4.39Å; L63-V101 HydrophobicContact CD1-CG1 4.37Å
64T95Very high94.3Very high1 Ų14.9 Ų4.91%0.0063%0.028CC..SBendtrans-73.2-38.4-173.760.60000111.7F40 Q41 T42 T134 T138 D745 A921F40-T64 HydrophobicContact CB-CG2 4.21Å; F40-T64 HydrophobicContact CD2-CG2 4.08Å; Q41-T64 WeakPolarHBondContact O-CG2 3.34Å; Q41-T64 PolarHBondContact O-N 3.2Å; Q41-T64 VanDerWaalsContact O-N 3.12Å; Q41-T64 PolarHBondContact O-OG1 3.42Å; T42-T64 WeakPolarHBondContact CA-OG1 3.27Å; T42-T64 HydrophobicContact CG2-CG2 4.23Å; T64-T134 PolarHBondContact O-OG1 3.18Å; T64-T134 VanDerWaalsContact O-OG1 3.08Å; T64-T138 HydrophobicContact CG2-CG2 4.22Å; T64-D745 WeakPolarHBondContact O-CB 3.23Å; T64-A921 WeakPolarHBondContact CB-O 3.18Å; T64-A921 VanDerWaalsContact CG2-O 3.29Å; T64-A921 WeakPolarHBondContact CG2-O 3.39Å; T64-A921 WeakPolarHBondContact OG1-CB 3.29Å
65Y94.9Very high94.3Very high1 Ų14.8 Ų4.80%0.0043%0.032CC..SBendtrans-60.5125.3175-173-117.1000110.2L67 I68 P646 Q648 L744Y65-L67 VanDerWaalsContact C-N 3.33Å; Y65-L67 HydrophobicContact CD1-CB 4.37Å; Y65-L67 WeakPolarHBondContact CD1-O 3.48Å; Y65-L67 HydrophobicContact CE1-CB 3.68Å; Y65-L67 WeakPolarHBondContact CE1-O 3.23Å; Y65-L67 PolarHBondContact O-N 3.19Å; Y65-I68 HydrophobicContact CD1-CD1 4.23Å; Y65-I68 WeakPolarHBondContact O-CG1 3.29Å; Y65-P646 HydrophobicContact CD2-CG 4.22Å; Y65-P646 HydrophobicContact CE1-CG 4.45Å; Y65-P646 HydrophobicContact CE2-CG 3.56Å; Y65-Q648 PolarHBondContact OH-NE2 2.9Å; Y65-Q648 PolarHBondContact OH-OE1 3.38Å; Y65-L744 VanDerWaalsContact CD2-O 3.27Å; Y65-L744 WeakPolarHBondContact CD2-O 3.32Å
66P88.1Confident94Very high3 Ų36.9 Ų6.92%0.0195%0.045CC..SBendtrans-72.5-22-167.725.1-35.8000114G102 E103 D745 R781P66-G102 CarbonylContact O-C 3.46Å; P66-E103 WeakPolarHBondContact O-CA 3.34Å; P66-E103 PolarHBondContact O-N 2.86Å; P66-E103 VanDerWaalsContact O-O 3.1Å; P66-D745 WeakPolarHBondContact CD-O 3.46Å; P66-D745 WeakPolarHBondContact CG-O 3.49Å; P66-R781 WeakPolarHBondContact CB-O 3.33Å; P66-R781 WeakPolarHBondContact CG-O 3.32Å
67L91.9Very high93.8Very high5 Ų511.2 Ų11.23%0.0267%0.068CC..EExtended strand (participates in β ladder)trans-109.3107.4-175.8-69.5163.7000110.8Y65 E103 C747 N782 F783 W850Y65-L67 VanDerWaalsContact C-N 3.33Å; Y65-L67 HydrophobicContact CD1-CB 4.37Å; Y65-L67 WeakPolarHBondContact CD1-O 3.48Å; Y65-L67 HydrophobicContact CE1-CB 3.68Å; Y65-L67 WeakPolarHBondContact CE1-O 3.23Å; Y65-L67 PolarHBondContact O-N 3.19Å; L67-E103 HydrophobicContact CD2-CB 4.11Å; L67-E103 HydrophobicContact CD2-CG 4.19Å; L67-E103 WeakPolarHBondContact CD2-OE2 3.5Å; L67-C747 HydrophobicContact CD1-CB 4.43Å; L67-N782 HydrophobicContact CD2-CB 4.33Å; L67-F783 HydrophobicContact CD1-CB 4.42Å; L67-W850 HydrophobicContact CD1-CH2 4.43Å; L67-W850 HydrophobicContact CD1-CZ2 4.43Å
68I95Very high93.5Very high3 Ų317.4 Ų17.42%0.01510%0.096CC..EExtended strand (participates in β ladder)trans-123.8143.3-174.4-60.6-62.1000111.7Y47 L63 Y65 V101 E103 V104 A105 L117Y47-I68 HydrophobicContact CD1-CG2 3.83Å; Y47-I68 HydrophobicContact CE1-CG2 4.37Å; Y47-I68 HydrophobicContact CG-CG2 4Å; L63-I68 HydrophobicContact CB-CD1 3.99Å; L63-I68 HydrophobicContact CB-CG1 4.06Å; L63-I68 HydrophobicContact CD1-CB 4.46Å; L63-I68 HydrophobicContact CD1-CD1 3.75Å; L63-I68 HydrophobicContact CD1-CG1 3.87Å; L63-I68 HydrophobicContact CD1-CG2 3.75Å; Y65-I68 HydrophobicContact CD1-CD1 4.23Å; Y65-I68 WeakPolarHBondContact O-CG1 3.29Å; I68-V101 HydrophobicContact CB-CB 4.36Å; I68-V101 HydrophobicContact CB-CG1 3.86Å; I68-V101 HydrophobicContact CG1-CB 4.2Å; I68-V101 HydrophobicContact CG1-CG1 3.74Å; I68-V101 HydrophobicContact CG2-CG1 4.1Å; I68-E103 PolarHBondContact N-O 2.9Å; I68-V104 CarbonylContact O-C 3.57Å; I68-V104 WeakPolarHBondContact O-CA 3.42Å; I68-A105 PolarHBondContact O-N 2.84Å; I68-L117 HydrophobicContact CG2-CD2 3.58Å
69G94.4Very high93.3Very high0 Ų018.5 Ų18.50%010%0.1CC..  trans98.8-0.9177.400000114.5Y47 Y71 G72 A108Y47-G69 WeakPolarHBondContact OH-CA 3.49Å; G69-Y71 VanDerWaalsContact C-N 3.34Å; G69-Y71 PolarHBondContact O-N 2.76Å; G69-G72 PolarHBondContact O-N 3.33Å; G69-A108 WeakPolarHBondContact O-CB 3.38Å
70N93.6Very high92.9Very high5 Ų525.9 Ų25.93%0.02714%0.135CC..THydrogen-bonded Turntrans-53.1-34.6-177.648.3-32.1000115.6Q648N70-Q648 VanDerWaalsContact CB-O 3.3Å; N70-Q648 WeakPolarHBondContact CB-O 3.35Å; N70-Q648 PolarHBondContact ND2-O 2.98Å
71Y94.3Very high92.4Very high7 Ų728.5 Ų28.53%0.02715%0.147CC..THydrogen-bonded Turntrans-103.57.2176.357.2-100.3000113.9V45 G46 Y47 G69 H110 L650V45-Y71 HydrophobicContact CB-CE1 4.37Å; V45-Y71 HydrophobicContact CG1-CE1 4.22Å; G46-Y71 PolarHBondContact N-OH 3.15Å; Y47-Y71 AromaticContact CD1-CE1 3.89Å; Y47-Y71 HydrophobicContact CD1-CE1 3.89Å; Y47-Y71 HydrophobicContact CD1-CE2 4.34Å; Y47-Y71 AromaticContact CD1-CZ 3.58Å; Y47-Y71 VanDerWaalsContact CD1-OH 3.24Å; Y47-Y71 WeakPolarHBondContact CD1-OH 3.2Å; Y47-Y71 AromaticContact CE1-CD1 3.86Å; Y47-Y71 HydrophobicContact CE1-CD1 3.86Å; Y47-Y71 HydrophobicContact CE1-CD2 4.2Å; Y47-Y71 AromaticContact CE1-CE1 3.24Å; Y47-Y71 HydrophobicContact CE1-CE1 3.24Å; Y47-Y71 AromaticContact CE1-CE2 3.63Å; Y47-Y71 HydrophobicContact CE1-CE2 3.63Å; Y47-Y71 HydrophobicContact CE1-CG 4.3Å; Y47-Y71 AromaticContact CE1-CZ 3.1Å; Y47-Y71 WeakPolarHBondContact CE1-OH 3.22Å; Y47-Y71 AromaticContact CE2-CE2 3.97Å; Y47-Y71 HydrophobicContact CE2-CE2 3.97Å; Y47-Y71 AromaticContact CZ-CD2 3.78Å; Y47-Y71 AromaticContact CZ-CE1 3.85Å; Y47-Y71 AromaticContact CZ-CE2 3.36Å; Y47-Y71 AromaticContact CZ-CZ 3.4Å; Y47-Y71 VanDerWaalsContact CZ-CZ 3.4Å; Y47-Y71 PolarHBondContact N-OH 2.92Å; Y47-Y71 WeakPolarHBondContact OH-CD2 3.44Å; Y47-Y71 VanDerWaalsContact OH-CE2 3.3Å; Y47-Y71 WeakPolarHBondContact OH-CE2 3.33Å; Y47-Y71 PolarHBondContact OH-N 2.57Å; G69-Y71 VanDerWaalsContact C-N 3.34Å; G69-Y71 PolarHBondContact O-N 2.76Å; Y71-H110 VanDerWaalsContact O-CB 3.23Å; Y71-H110 WeakPolarHBondContact O-CB 3.4Å; Y71-L650 WeakPolarHBondContact CD1-O 3.46Å
72G94.6Very high92Very high0 Ų030.2 Ų30.20%016%0.164CC..  trans70-168.417600000114.1Y47 G69 A108Y47-G72 PolarHBondContact OH-N 3.09Å; Y47-G72 PolarHBondContact OH-O 3.41Å; G69-G72 PolarHBondContact O-N 3.33Å; G72-A108 VanDerWaalsContact CA-CB 3.48Å; G72-A108 VanDerWaalsContact N-CB 3.27Å
73V95.5Very high91.6Very high0 Ų030.2 Ų30.20%016%0.164CC..EExtended strand (participates in β ladder)trans-115.9126.8178.1-179.30000108.9T48 F87 W114 K115 L117 W120T48-V73 HydrophobicContact CG2-CB 4.22Å; T48-V73 HydrophobicContact CG2-CG1 3.96Å; T48-V73 HydrophobicContact CG2-CG2 3.93Å; V73-F87 HydrophobicContact CG1-CE1 4.04Å; V73-F87 HydrophobicContact CG1-CZ 3.86Å; V73-W114 WeakPolarHBondContact O-CB 3.28Å; V73-W114 PolarHBondContact O-N 3.29Å; V73-K115 PolarHBondContact N-O 3.2Å; V73-K115 PolarHBondContact O-N 3.38Å; V73-K115 VanDerWaalsContact O-N 3.13Å; V73-L117 HydrophobicContact CG2-CB 4.44Å; V73-L117 HydrophobicContact CG2-CD1 4.42Å; V73-W120 HydrophobicContact CB-CB 4.32Å; V73-W120 HydrophobicContact CB-CD2 4.4Å; V73-W120 HydrophobicContact CB-CG 4.28Å; V73-W120 HydrophobicContact CG1-CB 4.34Å; V73-W120 HydrophobicContact CG1-CD2 3.72Å; V73-W120 HydrophobicContact CG1-CE3 4.2Å; V73-W120 HydrophobicContact CG1-CG 3.78Å; V73-W120 HydrophobicContact CG1-CZ2 4.4Å; V73-W120 HydrophobicContact CG2-CB 3.91Å; V73-W120 HydrophobicContact CG2-CD2 3.93Å; V73-W120 HydrophobicContact CG2-CE3 3.75Å; V73-W120 HydrophobicContact CG2-CG 4.04Å; V73-W120 HydrophobicContact CG2-CZ3 4.45Å
74P94.1Very high91.3Very high16 Ų1630.3 Ų30.310%0.10417%0.165CC..EExtended strand (participates in β ladder)trans-73.2165178.931.4-34.5000112.5H86 F87 R112P74-H86 HydrophobicContact CB-CB 4.3Å; P74-H86 HydrophobicContact CG-CB 3.51Å; P74-F87 HydrophobicContact CG-CZ 4.25Å; P74-F87 WeakPolarHBondContact O-CZ 3.44Å; P74-R112 WeakPolarHBondContact CA-O 3.17Å; P74-R112 HydrophobicContact CB-CB 4.37Å
75A91.2Very high90.9Very high20 Ų2033.2 Ų33.217%0.16518%0.18CC..  trans-67.4149.4173.100000110.3D77 W114A75-D77 PolarHBondContact O-N 3.42Å; A75-W114 HydrophobicContact CB-CB 3.91Å; A75-W114 HydrophobicContact CB-CD2 4.41Å; A75-W114 HydrophobicContact CB-CG 3.96Å
76P88.3Confident90.5Very high48 Ų4833.8 Ų33.831%0.31218%0.182SC..  trans-7752.3173.835.2-36.7000111.2F87P76-F87 HydrophobicContact CB-CD2 4.13Å; P76-F87 HydrophobicContact CB-CE2 3.82Å
77D88.3Confident90.7Very high94 Ų9433.7 Ų33.750%0.50318%0.182SC..  trans-61.3144.8175.1-62.9-29.7000109.5A75 P84 L85A75-D77 PolarHBondContact O-N 3.42Å; D77-P84 CarbonylContact O-C 3.52Å; D77-P84 WeakPolarHBondContact O-CA 3.21Å; D77-L85 WeakPolarHBondContact O-CB 3.46Å; D77-L85 PolarHBondContact O-N 2.97Å
78E89.1Confident90.8Very high140 Ų14033.4 Ų33.465%0.65418%0.18SC*.BIsolated β-bridgetrans-96.6143.6-179.1-68177.1179.200111.1L83E78-L83 CarbonylContact C-O 3.55Å; E78-L83 VanDerWaalsContact CA-O 3.3Å; E78-L83 WeakPolarHBondContact CA-O 3.45Å
79D88.5Confident90.7Very high32 Ų3234.7 Ų34.717%0.17119%0.185CC..  trans-78.7-178.1170.468.219.9000112H81 G82 L83 L85 R209D79-H81 PolarHBondContact O-N 3.15Å; D79-H81 WeakPolarHBondContact OD1-CA 3.31Å; D79-H81 WeakPolarHBondContact OD1-CB 3.45Å; D79-H81 PolarHBondContact OD1-N 2.85Å; D79-G82 PolarHBondContact O-N 2.77Å; D79-G82 PolarHBondContact OD1-N 2.82Å; D79-L83 VanDerWaalsContact CG-O 3.31Å; D79-L83 PolarHBondContact N-O 3.39Å; D79-L83 PolarHBondContact OD1-N 2.82Å; D79-L85 HydrophobicContact CB-CD1 4.2Å; D79-R209 WeakPolarHBondContact OD2-CD 2.97Å; D79-R209 IonicContact OD2-NE 3.54Å; D79-R209 PolarHBondContact OD2-NE 2.98Å
80E86.6Confident90.5Very high167 Ų16737 Ų3778%0.7820%0.196SC*.THydrogen-bonded Turntrans-62.7-11.8179.761.5178.4-159.600114.7
81H86.9Confident90Very high55 Ų5544.9 Ų44.926%0.25523%0.23SC..THydrogen-bonded Turntrans-101.22.8176.6-54.6-42.8000112.7D79 L83 L212D79-H81 PolarHBondContact O-N 3.15Å; D79-H81 WeakPolarHBondContact OD1-CA 3.31Å; D79-H81 WeakPolarHBondContact OD1-CB 3.45Å; D79-H81 PolarHBondContact OD1-N 2.85Å; H81-L83 VanDerWaalsContact C-N 3.32Å; H81-L83 HydrophobicContact CB-CD1 4.28Å; H81-L83 HydrophobicContact CB-CG 4.2Å; H81-L212 HydrophobicContact CB-CD1 3.86Å; H81-L212 WeakPolarHBondContact NE2-CB 3.26Å
82G87.3Confident89.5Confident35 Ų3544.5 Ų44.536%0.36123%0.229SC..SBendtrans74.620.7-176.100000113.3D79D79-G82 PolarHBondContact O-N 2.77Å; D79-G82 PolarHBondContact OD1-N 2.82Å
83L89.9Confident89.4Confident0 Ų047.1 Ų47.10%025%0.245CC..SBendtrans-100141.2177.6-55.9175.3000109.6E78 D79 H81 L85 M90 Y186 L205 L208 R209 L212E78-L83 CarbonylContact C-O 3.55Å; E78-L83 VanDerWaalsContact CA-O 3.3Å; E78-L83 WeakPolarHBondContact CA-O 3.45Å; D79-L83 VanDerWaalsContact CG-O 3.31Å; D79-L83 PolarHBondContact N-O 3.39Å; D79-L83 PolarHBondContact OD1-N 2.82Å; H81-L83 VanDerWaalsContact C-N 3.32Å; H81-L83 HydrophobicContact CB-CD1 4.28Å; H81-L83 HydrophobicContact CB-CG 4.2Å; L83-L85 PolarHBondContact O-N 2.84Å; L83-M90 HydrophobicContact CD2-CE 3.85Å; L83-Y186 HydrophobicContact CD2-CD1 4.28Å; L83-Y186 HydrophobicContact CD2-CE1 3.72Å; L83-L205 HydrophobicContact CD2-CD2 4.35Å; L83-L208 HydrophobicContact CD1-CB 4.4Å; L83-L208 HydrophobicContact CD1-CD2 3.66Å; L83-L208 HydrophobicContact CD1-CG 3.89Å; L83-L208 HydrophobicContact CD2-CD2 3.9Å; L83-L208 HydrophobicContact CG-CD2 4.42Å; L83-R209 HydrophobicContact CD1-CG 3.95Å; L83-L212 HydrophobicContact CD1-CD1 4.17Å
84P89.8Confident89.3Confident4 Ų447.7 Ų47.73%0.02625%0.248CC..BIsolated β-bridgetrans-55.6130.5175-23.631.7000111.3D77 F87 L205 R209D77-P84 CarbonylContact O-C 3.52Å; D77-P84 WeakPolarHBondContact O-CA 3.21Å; P84-F87 HydrophobicContact CB-CB 4.3Å; P84-F87 HydrophobicContact CB-CD2 4.21Å; P84-L205 HydrophobicContact CG-CD1 4.38Å; P84-R209 PolarHBondContact O-NH2 2.75Å
85L86.3Confident89.3Confident62 Ų6248.7 Ų48.733%0.32525%0.251SS..THydrogen-bonded Turntrans-70.5-37.8-169.4-17861.4000113.5D77 D79 L83 H357D77-L85 WeakPolarHBondContact O-CB 3.46Å; D77-L85 PolarHBondContact O-N 2.97Å; D79-L85 HydrophobicContact CB-CD1 4.2Å; L83-L85 PolarHBondContact O-N 2.84Å; L85-H357 PolarHBondContact O-NE2 2.97Å
86H87.7Confident89.5Confident13 Ų1347.8 Ų47.86%0.0624%0.244CC..THydrogen-bonded Turntrans-111.87.1-167.8-59-55.1000114.7P74 R112P74-H86 HydrophobicContact CB-CB 4.3Å; P74-H86 HydrophobicContact CG-CB 3.51Å; H86-R112 PolarHBondContact CE1-NH1 2.7Å; H86-R112 VanDerWaalsContact CE1-NH1 3.34Å
87F92.2Very high89.8Confident1 Ų147.2 Ų47.20%0.00424%0.24CC..  trans-127.4149.1-173.2-60.5-68.2000110.9T48 T52 V73 P74 P76 P84 W89 W120 R209T48-F87 HydrophobicContact CG2-CE1 4.41Å; T52-F87 HydrophobicContact CG2-CB 4.16Å; T52-F87 HydrophobicContact CG2-CD1 3.65Å; T52-F87 HydrophobicContact CG2-CE1 4.47Å; T52-F87 HydrophobicContact CG2-CG 4.25Å; V73-F87 HydrophobicContact CG1-CE1 4.04Å; V73-F87 HydrophobicContact CG1-CZ 3.86Å; P74-F87 HydrophobicContact CG-CZ 4.25Å; P74-F87 WeakPolarHBondContact O-CZ 3.44Å; P76-F87 HydrophobicContact CB-CD2 4.13Å; P76-F87 HydrophobicContact CB-CE2 3.82Å; P84-F87 HydrophobicContact CB-CB 4.3Å; P84-F87 HydrophobicContact CB-CD2 4.21Å; F87-W89 VanDerWaalsContact C-N 3.26Å; F87-W89 PolarHBondContact O-N 2.74Å; F87-W120 HydrophobicContact CD1-CZ2 4.09Å; F87-W120 HydrophobicContact CE1-CH2 4.17Å; F87-W120 AromaticContact CE1-CZ2 3.59Å; F87-W120 HydrophobicContact CE1-CZ2 3.59Å; F87-W120 HydrophobicContact CZ-CZ2 4.4Å; F87-R209 PolarHBondContact O-NH2 3.19Å
88E92.9Very high90.2Very high0 Ų042.7 Ų42.70%022%0.216CC..SBendtrans-84.6-2.4177.5-71.5-71.8-160.600113.1E49 T52 D53 K204 L205 N206 H357E49-E88 HydrophobicContact CB-CG 4.38Å; T52-E88 PolarHBondContact OG1-N 3.08Å; D53-E88 HydrophobicContact CB-CB 4.43Å; E88-K204 HydrophobicContact CB-CG 4.34Å; E88-K204 HydrophobicContact CG-CG 4.35Å; E88-K204 WeakPolarHBondContact OE2-CB 3.32Å; E88-L205 WeakPolarHBondContact O-CG 3.37Å; E88-L205 PolarHBondContact O-N 2.85Å; E88-L205 PolarHBondContact OE2-N 3.4Å; E88-N206 PolarHBondContact OE2-N 2.78Å; E88-N206 VanDerWaalsContact OE2-N 3.08Å; E88-H357 HydrophobicContact CG-CB 4.33Å; E88-H357 WeakPolarHBondContact OE1-CB 3.35Å; E88-H357 PolarHBondContact OE1-N 3.28Å
89W93.5Very high90.6Very high29 Ų2936 Ų3611%0.1119%0.185CC..SBendtrans-146.9160.4174.2-165.4-112.5000114.3T52 R54 F87 G92 V180 L205T52-W89 WeakPolarHBondContact O-CB 3.37Å; R54-W89 HydrophobicContact CG-CD2 4.4Å; R54-W89 HydrophobicContact CG-CG 4.34Å; R54-W89 VanDerWaalsContact NH1-CZ3 3.26Å; F87-W89 VanDerWaalsContact C-N 3.26Å; F87-W89 PolarHBondContact O-N 2.74Å; W89-G92 PolarHBondContact O-N 2.97Å; W89-V180 HydrophobicContact CH2-CG1 4.11Å; W89-L205 HydrophobicContact CE3-CD2 4.13Å; W89-L205 HydrophobicContact CE3-CG 4.1Å; W89-L205 HydrophobicContact CZ3-CD2 4.04Å
90M89.9Confident91Very high49 Ų4934.5 Ų34.524%0.24118%0.177CC..G310 helixtrans-51.2136.9-175.6-64.5-63.4-173.600112.6L83 G92 V93 Y186 L205L83-M90 HydrophobicContact CD2-CE 3.85Å; M90-G92 PolarHBondContact O-N 2.87Å; M90-G92 VanDerWaalsContact O-N 3.08Å; M90-V93 WeakPolarHBondContact O-CG2 3.37Å; M90-V93 PolarHBondContact O-N 3.02Å; M90-Y186 VanDerWaalsContact CE-OH 3.27Å; M90-Y186 WeakPolarHBondContact CE-OH 3.43Å; M90-L205 HydrophobicContact CE-CD2 3.99Å; M90-L205 HydrophobicContact CG-CD1 4.45Å; M90-L205 HydrophobicContact SD-CD1 4.08Å
91K83Confident91.5Very high170 Ų17026.6 Ų26.674%0.73914%0.139SC*.G310 helixtrans57.414.4179.3-55.1179.6179.2179.70115.2V93K91-V93 VanDerWaalsContact C-N 3.27Å; K91-V93 HydrophobicContact CB-CG2 4.23Å; K91-V93 PolarHBondContact O-N 3.42Å
92G83.8Confident91.9Very high0 Ų024.6 Ų24.60%013%0.134CC..G310 helixtrans64.730.8-175.800000113.3W89 M90 V94 W120 H124W89-G92 PolarHBondContact O-N 2.97Å; M90-G92 PolarHBondContact O-N 2.87Å; M90-G92 VanDerWaalsContact O-N 3.08Å; G92-V94 PolarHBondContact O-N 3.08Å; G92-W120 VanDerWaalsContact O-CZ2 3.22Å; G92-W120 WeakPolarHBondContact O-CZ2 3.25Å; G92-W120 PolarHBondContact O-NE1 2.97Å; G92-H124 PolarHBondContact O-CE1 2.7Å
93V91.8Very high92.2Very high55 Ų5524.1 Ų24.133%0.33312%0.122SC..  trans-69.8119.4179.4176.60000110M90 K91 Q95M90-V93 WeakPolarHBondContact O-CG2 3.37Å; M90-V93 PolarHBondContact O-N 3.02Å; K91-V93 VanDerWaalsContact C-N 3.27Å; K91-V93 HydrophobicContact CB-CG2 4.23Å; K91-V93 PolarHBondContact O-N 3.42Å; V93-Q95 PolarHBondContact O-N 3.37Å; V93-Q95 PolarHBondContact O-NE2 3.13Å
94V94.5Very high92.4Very high12 Ų1224.3 Ų24.37%0.07312%0.123CC..  trans-61.3130174-177.50000110.2L51 G92 W120 L121 H124 V126L51-V94 HydrophobicContact CB-CG1 4.17Å; L51-V94 HydrophobicContact CD2-CG1 4.16Å; L51-V94 CarbonylContact O-C 3.52Å; L51-V94 WeakPolarHBondContact O-CA 2.88Å; L51-V94 WeakPolarHBondContact O-CG1 3.33Å; G92-V94 PolarHBondContact O-N 3.08Å; V94-W120 HydrophobicContact CG2-CD2 4.17Å; V94-W120 HydrophobicContact CG2-CE3 4.06Å; V94-W120 HydrophobicContact CG2-CH2 3.61Å; V94-W120 HydrophobicContact CG2-CZ2 3.67Å; V94-W120 HydrophobicContact CG2-CZ3 3.8Å; V94-L121 HydrophobicContact CG1-CD2 4.3Å; V94-L121 HydrophobicContact CG2-CD2 4.12Å; V94-H124 HydrophobicContact CB-CB 4.16Å; V94-H124 HydrophobicContact CG2-CB 4.06Å; V94-V126 HydrophobicContact CB-CG2 3.9Å; V94-V126 HydrophobicContact CG1-CB 4.28Å; V94-V126 HydrophobicContact CG1-CG1 4.14Å; V94-V126 HydrophobicContact CG1-CG2 3.73Å
95Q94.5Very high92.5Very high36 Ų3624.4 Ų24.417%0.16812%0.124CC..  trans-102-31.1-178.2-59.2-58.3-54.500112.8L51 T52 D53 R54 V93L51-Q95 PolarHBondContact O-N 3.02Å; T52-Q95 VanDerWaalsContact O-CG 3.3Å; T52-Q95 WeakPolarHBondContact O-CG 3.17Å; D53-Q95 WeakPolarHBondContact O-CB 3.41Å; R54-Q95 HydrophobicContact CB-CG 4.44Å; R54-Q95 HydrophobicContact CG-CG 3.68Å; V93-Q95 PolarHBondContact O-N 3.37Å; V93-Q95 PolarHBondContact O-NE2 3.13Å
96A94.9Very high92.5Very high2 Ų226.8 Ų26.82%0.01713%0.134CC..BIsolated β-bridgetrans-61.7140.8174.800000111L51 L61L51-A96 HydrophobicContact CD2-CB 3.8Å; L61-A96 HydrophobicContact CB-CB 4.37Å
97T95Very high92.5Very high35 Ų3530.2 Ų30.222%0.21515%0.15CC..SBendtrans-68.1-37.2-178.9-60.10000112F34 G58 Q59 P127F34-T97 HydrophobicContact CB-CG2 4.38Å; G58-T97 VanDerWaalsContact C-OG1 3.3Å; G58-T97 VanDerWaalsContact CA-OG1 3.31Å; G58-T97 WeakPolarHBondContact CA-OG1 3.38Å; Q59-T97 WeakPolarHBondContact O-CB 3.38Å; Q59-T97 PolarHBondContact O-N 2.72Å; T97-P127 WeakPolarHBondContact O-CD 3.49Å
98A96.3Very high92.4Very high0 Ų030.2 Ų30.20%015%0.15CC..EExtended strand (participates in β ladder)trans-160.3162.5179.300000110.8I60 L61 P127 I151I60-A98 HydrophobicContact CG1-CB 4.15Å; I60-A98 HydrophobicContact CG2-CB 4.14Å; L61-A98 PolarHBondContact N-O 3.39Å; A98-P127 WeakPolarHBondContact CA-O 3.33Å; A98-P127 HydrophobicContact CB-CG 3.86Å; A98-I151 HydrophobicContact CB-CD1 3.62Å; A98-I151 HydrophobicContact CB-CG1 4.41Å
99L97.3Very high92.2Very high0 Ų033.1 Ų33.10%016%0.163CC..EExtended strand (participates in β ladder)trans-119.1135.4178.6179.565000111.7F21 L51 L61 L63 V101 L117 L121 P127 G128 I129F21-L99 HydrophobicContact CE2-CD2 4.12Å; F21-L99 HydrophobicContact CZ-CD2 3.94Å; F21-L99 HydrophobicContact CZ-CG 4.27Å; L51-L99 HydrophobicContact CD1-CD2 4.21Å; L51-L99 HydrophobicContact CD2-CB 4.48Å; L51-L99 HydrophobicContact CD2-CD1 4.31Å; L61-L99 CarbonylContact O-C 3.43Å; L61-L99 WeakPolarHBondContact O-CA 3.35Å; L63-L99 HydrophobicContact CD1-CD1 3.81Å; L63-L99 HydrophobicContact CG-CD1 3.88Å; L99-V101 HydrophobicContact CD1-CG1 4.02Å; L99-V101 HydrophobicContact CD2-CG1 4.09Å; L99-V101 HydrophobicContact CG-CG1 3.89Å; L99-L117 HydrophobicContact CD2-CD2 4Å; L99-L121 HydrophobicContact CB-CD1 4.3Å; L99-L121 HydrophobicContact CD2-CD1 3.91Å; L99-P127 PolarHBondContact N-O 2.82Å; L99-P127 VanDerWaalsContact N-O 3.09Å; L99-G128 CarbonylContact O-C 3.47Å; L99-G128 VanDerWaalsContact O-CA 3.24Å; L99-G128 WeakPolarHBondContact O-CA 3.38Å; L99-I129 PolarHBondContact O-N 2.7Å
100V97.6Very high92.3Very high0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-122.3125.2176.5-178.30000108.8L8 I60 L61 V62 L63 I129 I132 L137L8-V100 HydrophobicContact CD2-CG1 4.38Å; L8-V100 HydrophobicContact CD2-CG2 4.08Å; I60-V100 HydrophobicContact CG2-CG2 3.64Å; L61-V100 PolarHBondContact O-N 3.11Å; V62-V100 WeakPolarHBondContact CA-O 3.36Å; V62-V100 HydrophobicContact CB-CB 4.32Å; V62-V100 HydrophobicContact CG1-CB 4.35Å; V62-V100 HydrophobicContact CG1-CG1 4.24Å; V62-V100 HydrophobicContact CG2-CB 3.94Å; V62-V100 HydrophobicContact CG2-CG1 4.28Å; V62-V100 HydrophobicContact CG2-CG2 4.22Å; L63-V100 PolarHBondContact N-O 2.81Å; V100-I129 HydrophobicContact CB-CG2 4.08Å; V100-I129 HydrophobicContact CG1-CG2 4.04Å; V100-I129 HydrophobicContact CG2-CG2 3.68Å; V100-I132 HydrophobicContact CG1-CB 4.09Å; V100-I132 HydrophobicContact CG1-CG1 4.04Å; V100-I132 HydrophobicContact CG1-CG2 3.95Å; V100-L137 HydrophobicContact CG1-CD2 3.96Å
101V96.6Very high92.4Very high0 Ų035 Ų350%017%0.168CC..  trans-139.1164.5-179.1-59.30000111.4F21 L63 I68 L99 V104 I129 Q130F21-V101 HydrophobicContact CE1-CG2 3.72Å; F21-V101 HydrophobicContact CZ-CG2 3.79Å; L63-V101 HydrophobicContact CB-CG1 4.39Å; L63-V101 HydrophobicContact CD1-CG1 4.37Å; I68-V101 HydrophobicContact CB-CB 4.36Å; I68-V101 HydrophobicContact CB-CG1 3.86Å; I68-V101 HydrophobicContact CG1-CB 4.2Å; I68-V101 HydrophobicContact CG1-CG1 3.74Å; I68-V101 HydrophobicContact CG2-CG1 4.1Å; L99-V101 HydrophobicContact CD1-CG1 4.02Å; L99-V101 HydrophobicContact CD2-CG1 4.09Å; L99-V101 HydrophobicContact CG-CG1 3.89Å; V101-V104 HydrophobicContact CG2-CB 4.25Å; V101-I129 PolarHBondContact N-O 2.64Å; V101-Q130 HydrophobicContact CG2-CB 3.97Å; V101-Q130 WeakPolarHBondContact O-CA 3.28Å
102G94.5Very high92.8Very high13 Ų1329.6 Ų29.613%0.13414%0.143CC..SBendtrans-70.9-55.7170.400000111.4P66 D131P66-G102 CarbonylContact O-C 3.46Å; G102-D131 VanDerWaalsContact O-CA 3.29Å; G102-D131 WeakPolarHBondContact O-CA 3.04Å; G102-D131 PolarHBondContact O-N 3.21Å
103E94.1Very high93.3Very high26 Ų2632.8 Ų32.812%0.12116%0.157CC..EExtended strand (participates in β ladder)trans-141.9134179.8-177.9-174.3162.500109.3P66 L67 I68 N782 K854 R857P66-E103 WeakPolarHBondContact O-CA 3.34Å; P66-E103 PolarHBondContact O-N 2.86Å; P66-E103 VanDerWaalsContact O-O 3.1Å; L67-E103 HydrophobicContact CD2-CB 4.11Å; L67-E103 HydrophobicContact CD2-CG 4.19Å; L67-E103 WeakPolarHBondContact CD2-OE2 3.5Å; I68-E103 PolarHBondContact N-O 2.9Å; E103-N782 WeakPolarHBondContact OE2-CB 3.21Å; E103-K854 IonicContact OE1-NZ 2.93Å; E103-K854 PolarHBondContact OE1-NZ 2.99Å; E103-K854 IonicContact OE2-NZ 3.93Å; E103-R857 IonicContact OE1-NH1 2.74Å; E103-R857 PolarHBondContact OE1-NH1 2.88Å
104V94.7Very high93.4Very high3 Ų335.4 Ų35.42%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-97.7135.3170.777.60000110.6F21 I68 V101 E106 L117 P118F21-V104 HydrophobicContact CB-CG1 4.34Å; F21-V104 HydrophobicContact CD1-CB 4.49Å; F21-V104 HydrophobicContact CD1-CG1 4.22Å; F21-V104 HydrophobicContact CD2-CB 4.41Å; F21-V104 HydrophobicContact CD2-CG1 4.24Å; F21-V104 HydrophobicContact CD2-CG2 4.1Å; F21-V104 HydrophobicContact CE1-CB 4.37Å; F21-V104 HydrophobicContact CE2-CB 4.29Å; F21-V104 HydrophobicContact CE2-CG2 3.87Å; F21-V104 HydrophobicContact CG-CG1 4.03Å; F21-V104 HydrophobicContact CZ-CB 4.28Å; F21-V104 HydrophobicContact CZ-CG2 4.24Å; I68-V104 CarbonylContact O-C 3.57Å; I68-V104 WeakPolarHBondContact O-CA 3.42Å; V101-V104 HydrophobicContact CG2-CB 4.25Å; V104-E106 PolarHBondContact O-N 3.39Å; V104-L117 HydrophobicContact CG2-CD2 4.07Å; V104-P118 HydrophobicContact CG1-CG 4.32Å; V104-P118 HydrophobicContact CG2-CG 4.03Å
105A91.7Very high93.4Very high6 Ų637.6 Ų37.65%0.0517%0.169CC..  trans-69.9116.7169.300000109.3I68 E107I68-A105 PolarHBondContact O-N 2.84Å; A105-E107 WeakPolarHBondContact CB-O 3.38Å
106E85.6Confident93.5Very high113 Ų11336.2 Ų36.253%0.52816%0.164SC..SBendtrans-68.2-39.2178.5-64.2-165.7166.200111.2V104 T116V104-E106 PolarHBondContact O-N 3.39Å; E106-T116 WeakPolarHBondContact O-CG2 3.42Å
107E88.8Confident93.5Very high84 Ų8436.1 Ų36.139%0.39316%0.163SC..SBendtrans-117.3158.8171.2-74.3-62.5161.700110.9A105 F109 K113A105-E107 WeakPolarHBondContact CB-O 3.38Å; E107-F109 HydrophobicContact CB-CE2 3.97Å; E107-F109 HydrophobicContact CB-CZ 4.1Å; E107-K113 IonicContact OE2-NZ 3.11Å; E107-K113 PolarHBondContact OE2-NZ 3.36Å
108A89.5Confident93.5Very high2 Ų235.6 Ų35.62%0.01716%0.16CC..  trans-142142.1177.700000109.7G69 G72 K113G69-A108 WeakPolarHBondContact O-CB 3.38Å; G72-A108 VanDerWaalsContact CA-CB 3.48Å; G72-A108 VanDerWaalsContact N-CB 3.27Å; A108-K113 HydrophobicContact CB-CG 4.38Å; A108-K113 WeakPolarHBondContact O-CD 3.4Å; A108-K113 WeakPolarHBondContact O-CE 3.49Å; A108-K113 PolarHBondContact O-NZ 3.26Å
109F89.4Confident93.5Very high60 Ų6039.5 Ų39.526%0.26318%0.181SC..  trans-12873.7-172.3-59.7-83.5000110.6E107 Y849 W850 E853E107-F109 HydrophobicContact CB-CE2 3.97Å; E107-F109 HydrophobicContact CB-CZ 4.1Å; F109-Y849 HydrophobicContact CB-CG 4.45Å; F109-Y849 HydrophobicContact CD1-CD1 4.35Å; F109-Y849 HydrophobicContact CD1-CD2 4.16Å; F109-Y849 AromaticContact CD1-CG 3.73Å; F109-Y849 HydrophobicContact CD1-CG 3.73Å; F109-Y849 HydrophobicContact CE1-CD1 4.26Å; F109-Y849 HydrophobicContact CE1-CG 4.09Å; F109-Y849 HydrophobicContact CG-CG 4.08Å; F109-W850 HydrophobicContact CD2-CB 4.39Å; F109-E853 HydrophobicContact CE2-CB 4.13Å; F109-E853 HydrophobicContact CE2-CG 4.44Å
110H94.1Very high93.4Very high18 Ų1839.6 Ų39.68%0.08318%0.181CC..  trans-126.9143174.6-176.2-95000109Y71 R112 K113 E654Y71-H110 VanDerWaalsContact O-CB 3.23Å; Y71-H110 WeakPolarHBondContact O-CB 3.4Å; H110-R112 PolarHBondContact ND1-N 2.9Å; H110-R112 VanDerWaalsContact ND1-N 3.18Å; H110-R112 PolarHBondContact O-N 2.9Å; H110-K113 WeakPolarHBondContact O-CB 3.46Å; H110-K113 PolarHBondContact O-N 3.41Å; H110-E654 IonicContact CD2-OE2 2.71Å; H110-E654 IonicContact NE2-OE1 2.66Å; H110-E654 PolarHBondContact NE2-OE1 3.3Å; H110-E654 IonicContact NE2-OE2 2.85Å; H110-E654 PolarHBondContact NE2-OE2 2.91Å; H110-E654 VanDerWaalsContact NE2-OE2 3.09Å
111W92.4Very high93.3Very high99 Ų9939.6 Ų39.638%0.37518%0.181SC..THydrogen-bonded Turntrans-64.6-24.5-172.866.6-88.7000113.5E686W111-E686 HydrophobicContact CZ2-CG 4.27Å
112R92.4Very high93.2Very high58 Ų5845.6 Ų45.622%0.21921%0.207CC..THydrogen-bonded Turntrans-86.6-2.3171.1-65.1-171.6172.7159.22.7114.7P74 H86 H110 W114 E686P74-R112 WeakPolarHBondContact CA-O 3.17Å; P74-R112 HydrophobicContact CB-CB 4.37Å; H86-R112 PolarHBondContact CE1-NH1 2.7Å; H86-R112 VanDerWaalsContact CE1-NH1 3.34Å; H110-R112 PolarHBondContact ND1-N 2.9Å; H110-R112 VanDerWaalsContact ND1-N 3.18Å; H110-R112 PolarHBondContact O-N 2.9Å; R112-W114 PolarHBondContact O-N 3.14Å; R112-E686 IonicContact CZ-OE1 2.75Å; R112-E686 IonicContact CZ-OE2 2.76Å; R112-E686 IonicContact NH1-OE1 2.77Å; R112-E686 PolarHBondContact NH1-OE1 3.11Å; R112-E686 IonicContact NH2-OE1 3.78Å; R112-E686 PolarHBondContact NH2-OE1 3.42Å; R112-E686 IonicContact NH2-OE2 2.83Å; R112-E686 PolarHBondContact NH2-OE2 3.05Å
113K92.8Very high93.2Very high66 Ų6649.3 Ų49.329%0.28722%0.221SC..EExtended strand (participates in β ladder)trans-59.6113.8-176.5179.3-126.3-169.3158.10110.2E107 A108 H110E107-K113 IonicContact OE2-NZ 3.11Å; E107-K113 PolarHBondContact OE2-NZ 3.36Å; A108-K113 HydrophobicContact CB-CG 4.38Å; A108-K113 WeakPolarHBondContact O-CD 3.4Å; A108-K113 WeakPolarHBondContact O-CE 3.49Å; A108-K113 PolarHBondContact O-NZ 3.26Å; H110-K113 WeakPolarHBondContact O-CB 3.46Å; H110-K113 PolarHBondContact O-N 3.41Å
114W94.4Very high93.2Very high111 Ų11150.2 Ų50.242%0.4223%0.225SC..EExtended strand (participates in β ladder)trans-92.9-42.8169.8172.957.4000111.3V73 A75 R112V73-W114 WeakPolarHBondContact O-CB 3.28Å; V73-W114 PolarHBondContact O-N 3.29Å; A75-W114 HydrophobicContact CB-CB 3.91Å; A75-W114 HydrophobicContact CB-CD2 4.41Å; A75-W114 HydrophobicContact CB-CG 3.96Å; R112-W114 PolarHBondContact O-N 3.14Å
115K94.9Very high93.1Very high57 Ų5756.1 Ų56.125%0.24825%0.251CS..EExtended strand (participates in β ladder)trans-138.4159.6178.1-71.9-170.1174.2-155.70112V73 W120V73-K115 PolarHBondContact N-O 3.2Å; V73-K115 PolarHBondContact O-N 3.38Å; V73-K115 VanDerWaalsContact O-N 3.13Å; K115-W120 HydrophobicContact CB-CB 4.37Å
116T95.6Very high93.3Very high8 Ų856.3 Ų56.35%0.04925%0.251CS..  trans-73.5155.3163.767.40000109.1E106 D119 W120E106-T116 WeakPolarHBondContact O-CG2 3.42Å; T116-D119 PolarHBondContact O-N 3.1Å; T116-D119 WeakPolarHBondContact OG1-CB 3.34Å; T116-D119 VanDerWaalsContact OG1-CG 3.24Å; T116-D119 PolarHBondContact OG1-N 3.23Å; T116-D119 PolarHBondContact OG1-OD2 2.92Å; T116-W120 PolarHBondContact O-N 3.41Å
117L96.1Very high93.8Very high0 Ų051 Ų510%023%0.226CC..Hα-helixtrans-58.5-46.1176.9173.961.9000112.2Y47 L51 I68 V73 L99 V104 D119 W120 L121Y47-L117 HydrophobicContact CD2-CD1 4.39Å; Y47-L117 HydrophobicContact CD2-CD2 4.37Å; Y47-L117 HydrophobicContact CE2-CD2 4.48Å; L51-L117 HydrophobicContact CD1-CD1 3.95Å; I68-L117 HydrophobicContact CG2-CD2 3.58Å; V73-L117 HydrophobicContact CG2-CB 4.44Å; V73-L117 HydrophobicContact CG2-CD1 4.42Å; L99-L117 HydrophobicContact CD2-CD2 4Å; V104-L117 HydrophobicContact CG2-CD2 4.07Å; L117-D119 PolarHBondContact O-N 3.48Å; L117-W120 HydrophobicContact CD1-CE3 3.87Å; L117-W120 HydrophobicContact CD1-CZ3 4.23Å; L117-W120 PolarHBondContact O-N 2.95Å; L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.97Å; L117-L121 HydrophobicContact CG-CD1 4.36Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.21Å
118P95.6Very high94.1Very high23 Ų2347 Ų4715%0.14921%0.207CC..Hα-helixtrans-56.8-44.3175-26.935.8000113.7F21 G22 V104 W120 L121 K122F21-P118 HydrophobicContact CD2-CB 4.34Å; F21-P118 HydrophobicContact CD2-CG 4.15Å; G22-P118 WeakPolarHBondContact CA-O 3.43Å; V104-P118 HydrophobicContact CG1-CG 4.32Å; V104-P118 HydrophobicContact CG2-CG 4.03Å; P118-W120 VanDerWaalsContact C-N 3.32Å; P118-W120 PolarHBondContact O-N 2.96Å; P118-L121 PolarHBondContact O-N 2.88Å; P118-K122 WeakPolarHBondContact O-CB 3.3Å; P118-K122 PolarHBondContact O-N 3.04Å
119D95.2Very high94.4Very high83 Ų8346.9 Ų46.944%0.44421%0.207SC..Hα-helixtrans-67.4-33.8-179.4-72.3-33.4000112.6T116 L117 Q123T116-D119 PolarHBondContact O-N 3.1Å; T116-D119 WeakPolarHBondContact OG1-CB 3.34Å; T116-D119 VanDerWaalsContact OG1-CG 3.24Å; T116-D119 PolarHBondContact OG1-N 3.23Å; T116-D119 PolarHBondContact OG1-OD2 2.92Å; L117-D119 PolarHBondContact O-N 3.48Å; D119-Q123 PolarHBondContact O-N 3.22Å; D119-Q123 VanDerWaalsContact O-N 3.11Å
120W95.7Very high94.7Very high2 Ų245.4 Ų45.41%0.00820%0.201CC..Hα-helixtrans-71.8-40.2177-179.164.8000112.8T48 L51 T52 V73 F87 G92 V94 K115 T116 L117 P118 Q123 H124T48-W120 HydrophobicContact CG2-CH2 4.47Å; T48-W120 HydrophobicContact CG2-CZ3 4.36Å; L51-W120 HydrophobicContact CB-CH2 3.98Å; L51-W120 HydrophobicContact CB-CZ3 3.97Å; L51-W120 HydrophobicContact CD1-CZ3 3.72Å; T52-W120 HydrophobicContact CG2-CH2 3.81Å; T52-W120 HydrophobicContact CG2-CZ2 3.75Å; V73-W120 HydrophobicContact CB-CB 4.32Å; V73-W120 HydrophobicContact CB-CD2 4.4Å; V73-W120 HydrophobicContact CB-CG 4.28Å; V73-W120 HydrophobicContact CG1-CB 4.34Å; V73-W120 HydrophobicContact CG1-CD2 3.72Å; V73-W120 HydrophobicContact CG1-CE3 4.2Å; V73-W120 HydrophobicContact CG1-CG 3.78Å; V73-W120 HydrophobicContact CG1-CZ2 4.4Å; V73-W120 HydrophobicContact CG2-CB 3.91Å; V73-W120 HydrophobicContact CG2-CD2 3.93Å; V73-W120 HydrophobicContact CG2-CE3 3.75Å; V73-W120 HydrophobicContact CG2-CG 4.04Å; V73-W120 HydrophobicContact CG2-CZ3 4.45Å; F87-W120 HydrophobicContact CD1-CZ2 4.09Å; F87-W120 HydrophobicContact CE1-CH2 4.17Å; F87-W120 AromaticContact CE1-CZ2 3.59Å; F87-W120 HydrophobicContact CE1-CZ2 3.59Å; F87-W120 HydrophobicContact CZ-CZ2 4.4Å; G92-W120 VanDerWaalsContact O-CZ2 3.22Å; G92-W120 WeakPolarHBondContact O-CZ2 3.25Å; G92-W120 PolarHBondContact O-NE1 2.97Å; V94-W120 HydrophobicContact CG2-CD2 4.17Å; V94-W120 HydrophobicContact CG2-CE3 4.06Å; V94-W120 HydrophobicContact CG2-CH2 3.61Å; V94-W120 HydrophobicContact CG2-CZ2 3.67Å; V94-W120 HydrophobicContact CG2-CZ3 3.8Å; K115-W120 HydrophobicContact CB-CB 4.37Å; T116-W120 PolarHBondContact O-N 3.41Å; L117-W120 HydrophobicContact CD1-CE3 3.87Å; L117-W120 HydrophobicContact CD1-CZ3 4.23Å; L117-W120 PolarHBondContact O-N 2.95Å; P118-W120 VanDerWaalsContact C-N 3.32Å; P118-W120 PolarHBondContact O-N 2.96Å; W120-Q123 WeakPolarHBondContact O-CB 3.37Å; W120-Q123 PolarHBondContact O-N 3.1Å; W120-H124 AromaticContact CD1-CE1 3.63Å; W120-H124 AromaticContact CD1-ND1 3.75Å; W120-H124 AromaticContact NE1-CE1 3.29Å; W120-H124 PolarHBondContact NE1-CE1 3.16Å; W120-H124 VanDerWaalsContact NE1-CE1 3.29Å; W120-H124 AromaticContact NE1-ND1 3.61Å; W120-H124 PolarHBondContact O-N 2.81Å; W120-H124 PolarHBondContact O-ND1 3.48Å
121L96Very high94.6Very high0 Ų047.1 Ų47.10%021%0.211CC..Hα-helixtrans-65.2-41173.5-68.7-176000111.7F21 L51 V94 L99 L117 P118 Q123 H124 K125 V126F21-L121 HydrophobicContact CD2-CD1 4.16Å; F21-L121 HydrophobicContact CE2-CD1 3.59Å; F21-L121 HydrophobicContact CZ-CD1 4.48Å; L51-L121 HydrophobicContact CD1-CD2 4.21Å; V94-L121 HydrophobicContact CG1-CD2 4.3Å; V94-L121 HydrophobicContact CG2-CD2 4.12Å; L99-L121 HydrophobicContact CB-CD1 4.3Å; L99-L121 HydrophobicContact CD2-CD1 3.91Å; L117-L121 HydrophobicContact CD1-CD1 4.19Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.97Å; L117-L121 HydrophobicContact CG-CD1 4.36Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.21Å; P118-L121 PolarHBondContact O-N 2.88Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 3.43Å; L121-H124 CarbonylContact O-C 3.6Å; L121-H124 PolarHBondContact O-N 3.3Å; L121-H124 VanDerWaalsContact O-N 3.14Å; L121-K125 PolarHBondContact O-N 2.97Å; L121-K125 VanDerWaalsContact O-N 3.13Å; L121-V126 WeakPolarHBondContact CB-O 3.47Å; L121-V126 HydrophobicContact CD2-CB 4.15Å; L121-V126 HydrophobicContact CD2-CG1 4.1Å; L121-V126 PolarHBondContact O-N 3.38Å
122K94.5Very high94.7Very high125 Ų12542.8 Ų42.854%0.54320%0.195SC..Hα-helixtrans-59.5-40.5175.3-172.9176.4-178.6177.30112.1P118 H124 K125P118-K122 WeakPolarHBondContact O-CB 3.3Å; P118-K122 PolarHBondContact O-N 3.04Å; K122-H124 VanDerWaalsContact C-N 3.29Å; K122-H124 PolarHBondContact O-N 2.87Å; K122-K125 PolarHBondContact O-N 3.38Å
123Q93.7Very high94.8Very high92 Ų9241 Ų4143%0.4319%0.189SC..Hα-helixtrans-59.7-38.6175.8172.5-178.4-29.100112.4D119 W120 L121D119-Q123 PolarHBondContact O-N 3.22Å; D119-Q123 VanDerWaalsContact O-N 3.11Å; W120-Q123 WeakPolarHBondContact O-CB 3.37Å; W120-Q123 PolarHBondContact O-N 3.1Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 3.43Å
124H93.9Very high94.9Very high44 Ų4437.9 Ų37.920%0.20418%0.176CC..THydrogen-bonded Turntrans-91.86.1-177.9-66.899.7000114.1G92 V94 W120 L121 K122 V126G92-H124 PolarHBondContact O-CE1 2.7Å; V94-H124 HydrophobicContact CB-CB 4.16Å; V94-H124 HydrophobicContact CG2-CB 4.06Å; W120-H124 AromaticContact CD1-CE1 3.63Å; W120-H124 AromaticContact CD1-ND1 3.75Å; W120-H124 AromaticContact NE1-CE1 3.29Å; W120-H124 PolarHBondContact NE1-CE1 3.16Å; W120-H124 VanDerWaalsContact NE1-CE1 3.29Å; W120-H124 AromaticContact NE1-ND1 3.61Å; W120-H124 PolarHBondContact O-N 2.81Å; W120-H124 PolarHBondContact O-ND1 3.48Å; L121-H124 CarbonylContact O-C 3.6Å; L121-H124 PolarHBondContact O-N 3.3Å; L121-H124 VanDerWaalsContact O-N 3.14Å; K122-H124 VanDerWaalsContact C-N 3.29Å; K122-H124 PolarHBondContact O-N 2.87Å; H124-V126 VanDerWaalsContact C-N 3.27Å; H124-V126 HydrophobicContact CB-CG2 4.2Å; H124-V126 PolarHBondContact O-N 3.35Å
125K93.8Very high94.9Very high128 Ų12832.8 Ų32.856%0.55716%0.157SC*.THydrogen-bonded Turntrans57.735-175.4-55.5-172.2176.5-170.30114.2Y23 L121 K122Y23-K125 VanDerWaalsContact CB-C 3.41Å; Y23-K125 HydrophobicContact CD1-CB 4.14Å; Y23-K125 HydrophobicContact CD2-CB 3.93Å; Y23-K125 HydrophobicContact CD2-CG 3.99Å; Y23-K125 HydrophobicContact CE1-CB 4.26Å; Y23-K125 HydrophobicContact CE2-CB 4.03Å; Y23-K125 HydrophobicContact CE2-CD 4.22Å; Y23-K125 HydrophobicContact CE2-CG 3.79Å; Y23-K125 VanDerWaalsContact CG-CA 3.44Å; Y23-K125 HydrophobicContact CG-CB 3.97Å; L121-K125 PolarHBondContact O-N 2.97Å; L121-K125 VanDerWaalsContact O-N 3.13Å; K122-K125 PolarHBondContact O-N 3.38Å
126V95.4Very high94.9Very high10 Ų1030.8 Ų30.86%0.06115%0.15CC..  trans-102.5122.8177.8178.80000109.7Y23 V94 L121 H124Y23-V126 WeakPolarHBondContact CB-O 3.47Å; Y23-V126 PolarHBondContact N-O 2.8Å; V94-V126 HydrophobicContact CB-CG2 3.9Å; V94-V126 HydrophobicContact CG1-CB 4.28Å; V94-V126 HydrophobicContact CG1-CG1 4.14Å; V94-V126 HydrophobicContact CG1-CG2 3.73Å; L121-V126 WeakPolarHBondContact CB-O 3.47Å; L121-V126 HydrophobicContact CD2-CB 4.15Å; L121-V126 HydrophobicContact CD2-CG1 4.1Å; L121-V126 PolarHBondContact O-N 3.38Å; H124-V126 VanDerWaalsContact C-N 3.27Å; H124-V126 HydrophobicContact CB-CG2 4.2Å; H124-V126 PolarHBondContact O-N 3.35Å
127P95.1Very high94.9Very high0 Ų030.5 Ų30.50%015%0.149CC..EExtended strand (participates in β ladder)trans-77.9148.3177.134.4-39000111.9Y23 F34 T97 A98 L99 Y153Y23-P127 WeakPolarHBondContact O-CA 3.47Å; Y23-P127 WeakPolarHBondContact O-CB 3.35Å; F34-P127 HydrophobicContact CB-CG 3.83Å; F34-P127 HydrophobicContact CD1-CG 3.84Å; F34-P127 HydrophobicContact CD2-CB 4.23Å; F34-P127 HydrophobicContact CD2-CG 3.64Å; F34-P127 HydrophobicContact CE1-CG 4.28Å; F34-P127 HydrophobicContact CE2-CB 4.41Å; F34-P127 HydrophobicContact CE2-CG 4.09Å; F34-P127 HydrophobicContact CG-CG 3.51Å; F34-P127 HydrophobicContact CZ-CG 4.39Å; T97-P127 WeakPolarHBondContact O-CD 3.49Å; A98-P127 WeakPolarHBondContact CA-O 3.33Å; A98-P127 HydrophobicContact CB-CG 3.86Å; L99-P127 PolarHBondContact N-O 2.82Å; L99-P127 VanDerWaalsContact N-O 3.09Å; P127-Y153 VanDerWaalsContact CB-OH 3.27Å; P127-Y153 WeakPolarHBondContact CB-OH 3.47Å
128G95.3Very high94.8Very high0 Ų030.7 Ų30.70%015%0.15CC..EExtended strand (participates in β ladder)trans-124.8150.2170.200000111.9S20 F21 L99S20-G128 WeakPolarHBondContact CA-O 3.29Å; F21-G128 VanDerWaalsContact CD1-C 3.48Å; F21-G128 VanDerWaalsContact CE1-C 3.45Å; F21-G128 PolarHBondContact N-O 3.22Å; F21-G128 WeakPolarHBondContact O-CA 3.22Å; F21-G128 PolarHBondContact O-N 3.23Å; L99-G128 CarbonylContact O-C 3.47Å; L99-G128 VanDerWaalsContact O-CA 3.24Å; L99-G128 WeakPolarHBondContact O-CA 3.38Å
129I96.4Very high94.7Very high0 Ų030.3 Ų30.30%015%0.146CC..EExtended strand (participates in β ladder)trans-128.7130.2172.5-175.2169.5000110.6C6 L8 Y19 F21 L99 V100 V101 I132 I151C6-I129 VanDerWaalsContact SG-CD1 3.51Å; C6-I129 WeakPolarHBondContact SG-CG1 3.18Å; L8-I129 HydrophobicContact CB-CD1 4.29Å; Y19-I129 WeakPolarHBondContact O-CA 3.09Å; F21-I129 VanDerWaalsContact CE1-C 3.42Å; F21-I129 VanDerWaalsContact CE1-N 3.3Å; L99-I129 PolarHBondContact O-N 2.7Å; V100-I129 HydrophobicContact CB-CG2 4.08Å; V100-I129 HydrophobicContact CG1-CG2 4.04Å; V100-I129 HydrophobicContact CG2-CG2 3.68Å; V101-I129 PolarHBondContact N-O 2.64Å; I129-I132 HydrophobicContact CD1-CD1 3.78Å; I129-I132 HydrophobicContact CD1-CG1 4.23Å; I129-I132 HydrophobicContact CG1-CD1 4.01Å; I129-I132 HydrophobicContact CG1-CG1 3.94Å; I129-I132 HydrophobicContact CG2-CG1 4.32Å; I129-I151 HydrophobicContact CB-CD1 4.17Å; I129-I151 HydrophobicContact CG2-CD1 3.7Å; I129-I151 HydrophobicContact CG2-CG1 4.4Å
130Q95.3Very high94.6Very high30 Ų3028.5 Ų28.514%0.1413%0.134CC..EExtended strand (participates in β ladder)trans-119.7177.617767.8171.2-29.900111.6G18 Y19 F21 V101G18-Q130 CarbonylContact C-O 3.49Å; G18-Q130 VanDerWaalsContact CA-O 3.24Å; G18-Q130 WeakPolarHBondContact CA-O 3.26Å; Y19-Q130 PolarHBondContact N-O 3.14Å; Y19-Q130 WeakPolarHBondContact O-CG 3.24Å; Y19-Q130 PolarHBondContact O-N 2.8Å; F21-Q130 HydrophobicContact CD1-CB 3.97Å; F21-Q130 HydrophobicContact CD1-CG 4.13Å; F21-Q130 HydrophobicContact CE1-CB 3.95Å; V101-Q130 HydrophobicContact CG2-CB 3.97Å; V101-Q130 WeakPolarHBondContact O-CA 3.28Å
131D93.3Very high94.5Very high54 Ų5428.5 Ų28.529%0.28913%0.134SC..SBendtrans64.527.8-172.2-156.537.2000113.1Y19 G102 R882Y19-D131 HydrophobicContact CD2-CB 3.83Å; Y19-D131 HydrophobicContact CE2-CB 4.29Å; G102-D131 VanDerWaalsContact O-CA 3.29Å; G102-D131 WeakPolarHBondContact O-CA 3.04Å; G102-D131 PolarHBondContact O-N 3.21Å; D131-R882 IonicContact OD1-CZ 3.78Å; D131-R882 IonicContact OD1-NH1 2.93Å; D131-R882 PolarHBondContact OD1-NH1 3.45Å; D131-R882 IonicContact OD2-CZ 2.8Å; D131-R882 IonicContact OD2-NH1 3.62Å; D131-R882 PolarHBondContact OD2-NH1 2.77Å
132I94.4Very high94.2Very high8 Ų831 Ų314%0.04114%0.143CC..  trans-92.8133.4175.7-59.6-64.7000109.2L16 P17 V100 I129 T134 L137L16-I132 HydrophobicContact CB-CD1 3.94Å; L16-I132 HydrophobicContact CD1-CG2 4.24Å; P17-I132 WeakPolarHBondContact O-CD1 3.31Å; V100-I132 HydrophobicContact CG1-CB 4.09Å; V100-I132 HydrophobicContact CG1-CG1 4.04Å; V100-I132 HydrophobicContact CG1-CG2 3.95Å; I129-I132 HydrophobicContact CD1-CD1 3.78Å; I129-I132 HydrophobicContact CD1-CG1 4.23Å; I129-I132 HydrophobicContact CG1-CD1 4.01Å; I129-I132 HydrophobicContact CG1-CG1 3.94Å; I129-I132 HydrophobicContact CG2-CG1 4.32Å; I132-T134 PolarHBondContact O-N 3.21Å; I132-L137 HydrophobicContact CG2-CD2 4.21Å
133D94.4Very high94Very high20 Ų2030.1 Ų30.111%0.10714%0.142CC..  trans-67.985.3165.7-174-16.9000108.5R135 A136 L137 K915 G937 S938D133-R135 PolarHBondContact O-N 2.88Å; D133-R135 WeakPolarHBondContact OD1-CA 3.45Å; D133-R135 VanDerWaalsContact OD1-CB 3.31Å; D133-R135 WeakPolarHBondContact OD1-CB 3.47Å; D133-R135 PolarHBondContact OD1-N 3.36Å; D133-R135 VanDerWaalsContact OD1-N 3.1Å; D133-A136 HydrophobicContact CB-CB 3.98Å; D133-A136 PolarHBondContact O-N 3.44Å; D133-A136 PolarHBondContact OD1-N 3.37Å; D133-L137 PolarHBondContact O-N 3.01Å; D133-K915 IonicContact OD1-NZ 2.69Å; D133-K915 IonicContact OD2-NZ 3.52Å; D133-K915 PolarHBondContact OD2-NZ 3.25Å; D133-G937 WeakPolarHBondContact OD2-CA 3.23Å; D133-S938 PolarHBondContact OD2-N 3.24Å; D133-S938 PolarHBondContact OD2-OG 2.95Å
134T95.1Very high93.9Very high1 Ų130.5 Ų30.51%0.00614%0.143CC..Hα-helixtrans-62.1-23.6179.760.30000111.9V62 T64 I132 T138 R781V62-T134 HydrophobicContact CG1-CG2 4.2Å; T64-T134 PolarHBondContact O-OG1 3.18Å; T64-T134 VanDerWaalsContact O-OG1 3.08Å; I132-T134 PolarHBondContact O-N 3.21Å; T134-T138 VanDerWaalsContact O-CB 3.24Å; T134-T138 WeakPolarHBondContact O-CB 3.3Å; T134-T138 PolarHBondContact O-N 2.88Å; T134-T138 PolarHBondContact O-OG1 2.83Å; T134-R781 PolarHBondContact OG1-NH2 2.81Å
135R93.7Very high93.8Very high4 Ų428.6 Ų28.62%0.01514%0.135CC..Hα-helixtrans-67.8-51173.1169.664.671.999.6-2.9110.5D133 L137 T138 K139 D745 K915 Q916 D918 D941D133-R135 PolarHBondContact O-N 2.88Å; D133-R135 WeakPolarHBondContact OD1-CA 3.45Å; D133-R135 VanDerWaalsContact OD1-CB 3.31Å; D133-R135 WeakPolarHBondContact OD1-CB 3.47Å; D133-R135 PolarHBondContact OD1-N 3.36Å; D133-R135 VanDerWaalsContact OD1-N 3.1Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.16Å; R135-T138 PolarHBondContact O-N 3.02Å; R135-K139 HydrophobicContact CG-CD 4.04Å; R135-K139 VanDerWaalsContact O-CG 3.29Å; R135-K139 WeakPolarHBondContact O-CG 3.45Å; R135-K139 PolarHBondContact O-N 2.92Å; R135-D745 IonicContact CZ-OD1 3.85Å; R135-D745 IonicContact CZ-OD2 2.78Å; R135-D745 VanDerWaalsContact CZ-OD2 3.3Å; R135-D745 IonicContact NE-OD1 2.86Å; R135-D745 IonicContact NE-OD2 2.77Å; R135-D745 PolarHBondContact NE-OD2 3.23Å; R135-D745 VanDerWaalsContact NH2-CG 3.29Å; R135-D745 IonicContact NH2-OD1 3.93Å; R135-D745 PolarHBondContact NH2-OD1 3.38Å; R135-D745 IonicContact NH2-OD2 2.88Å; R135-D745 PolarHBondContact NH2-OD2 3Å; R135-D745 VanDerWaalsContact NH2-OD2 3.1Å; R135-K915 HydrophobicContact CG-CD 4.43Å; R135-Q916 PolarHBondContact NH1-O 3.26Å; R135-Q916 PolarHBondContact NH2-O 3.06Å; R135-Q916 VanDerWaalsContact NH2-O 3.09Å; R135-D918 VanDerWaalsContact NH2-CB 3.28Å; R135-D941 IonicContact CZ-OD2 3.92Å; R135-D941 IonicContact NH1-OD2 3.14Å; R135-D941 PolarHBondContact NH1-OD2 3.14Å
136A94.5Very high93.7Very high14 Ų1423.7 Ų23.712%0.11612%0.117CC..Hα-helixtrans-60.6-41.7177.800000111.8D133 K140 E939D133-A136 HydrophobicContact CB-CB 3.98Å; D133-A136 PolarHBondContact O-N 3.44Å; D133-A136 PolarHBondContact OD1-N 3.37Å; A136-K140 PolarHBondContact O-N 2.79Å; A136-E939 HydrophobicContact CB-CG 4.06Å
137L95.3Very high93.6Very high2 Ų223.7 Ų23.71%0.0112%0.117CC..Hα-helixtrans-64.3-45.8176.4-179.454.7000112.1L8 L10 L16 V62 V100 I132 D133 R135 K140 L141L8-L137 HydrophobicContact CD2-CD2 3.72Å; L10-L137 HydrophobicContact CD1-CD1 3.98Å; L16-L137 HydrophobicContact CD1-CB 4.19Å; L16-L137 HydrophobicContact CD1-CD1 3.97Å; L16-L137 HydrophobicContact CD1-CD2 4.27Å; L16-L137 HydrophobicContact CD1-CG 4.37Å; V62-L137 HydrophobicContact CB-CD2 4.44Å; V62-L137 HydrophobicContact CG1-CD2 3.93Å; V62-L137 HydrophobicContact CG1-CG 4.47Å; V62-L137 HydrophobicContact CG2-CD2 3.6Å; V62-L137 HydrophobicContact CG2-CG 4.31Å; V100-L137 HydrophobicContact CG1-CD2 3.96Å; I132-L137 HydrophobicContact CG2-CD2 4.21Å; D133-L137 PolarHBondContact O-N 3.01Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-L137 PolarHBondContact O-N 3.16Å; L137-K140 PolarHBondContact O-N 2.94Å; L137-L141 HydrophobicContact CD1-CD1 4.18Å; L137-L141 HydrophobicContact CD1-CG 4.25Å; L137-L141 HydrophobicContact CG-CD1 4.12Å; L137-L141 WeakPolarHBondContact O-CG 3.2Å; L137-L141 PolarHBondContact O-N 3.12Å
138T94.6Very high93.6Very high5 Ų524.8 Ų24.83%0.03112%0.122CC..Hα-helixtrans-63.5-41.9177.8-64.20000111.9F40 T64 T134 R135 K140 L141 R142F40-T138 HydrophobicContact CD1-CG2 4.22Å; F40-T138 HydrophobicContact CD2-CG2 3.8Å; F40-T138 HydrophobicContact CE1-CG2 4.39Å; F40-T138 HydrophobicContact CE2-CG2 3.99Å; F40-T138 HydrophobicContact CG-CG2 3.93Å; F40-T138 HydrophobicContact CZ-CG2 4.3Å; T64-T138 HydrophobicContact CG2-CG2 4.22Å; T134-T138 VanDerWaalsContact O-CB 3.24Å; T134-T138 WeakPolarHBondContact O-CB 3.3Å; T134-T138 PolarHBondContact O-N 2.88Å; T134-T138 PolarHBondContact O-OG1 2.83Å; R135-T138 PolarHBondContact O-N 3.02Å; T138-K140 VanDerWaalsContact C-N 3.35Å; T138-K140 PolarHBondContact O-N 3.03Å; T138-L141 PolarHBondContact O-N 3.43Å; T138-R142 HydrophobicContact CG2-CG 4.35Å; T138-R142 WeakPolarHBondContact O-CB 3.33Å; T138-R142 VanDerWaalsContact O-CG 3.29Å; T138-R142 WeakPolarHBondContact O-CG 3.33Å; T138-R142 PolarHBondContact O-N 2.97Å
139K92.7Very high93.6Very high14 Ų1424.8 Ų24.86%0.06112%0.122CC..Hα-helixtrans-56.2-48.6173.2-73.2168.361.4-171.50111.3R135 L141 R142 E143 W924 E939 D941R135-K139 HydrophobicContact CG-CD 4.04Å; R135-K139 VanDerWaalsContact O-CG 3.29Å; R135-K139 WeakPolarHBondContact O-CG 3.45Å; R135-K139 PolarHBondContact O-N 2.92Å; K139-L141 PolarHBondContact O-N 3.31Å; K139-R142 WeakPolarHBondContact O-CB 3.13Å; K139-R142 PolarHBondContact O-N 2.98Å; K139-E143 WeakPolarHBondContact O-CB 3.42Å; K139-E143 WeakPolarHBondContact O-CG 3.46Å; K139-E143 PolarHBondContact O-N 3.39Å; K139-W924 HydrophobicContact CB-CG 4.36Å; K139-W924 HydrophobicContact CD-CD2 4.07Å; K139-W924 HydrophobicContact CD-CE3 4.16Å; K139-W924 HydrophobicContact CD-CH2 4.3Å; K139-W924 HydrophobicContact CD-CZ2 4.2Å; K139-W924 HydrophobicContact CD-CZ3 4.27Å; K139-W924 VanDerWaalsContact CE-CE2 3.41Å; K139-W924 HydrophobicContact CG-CB 4.46Å; K139-W924 HydrophobicContact CG-CD2 3.67Å; K139-W924 HydrophobicContact CG-CE3 3.98Å; K139-W924 HydrophobicContact CG-CG 3.86Å; K139-E939 WeakPolarHBondContact CE-OE1 3.33Å; K139-E939 IonicContact NZ-OE1 3.16Å; K139-E939 PolarHBondContact NZ-OE1 3.44Å; K139-D941 WeakPolarHBondContact CD-OD1 3.35Å; K139-D941 IonicContact NZ-OD1 3.15Å; K139-D941 PolarHBondContact NZ-OD1 3.28Å
140K93.2Very high93.5Very high46 Ų4626.1 Ų26.120%0.213%0.128CC..Hα-helixtrans-58.5-46.4177176.7174.5-84.4-76.40111.8L10 D12 T14 A136 L137 T138 R142 E143 Q144 M147L10-K140 HydrophobicContact CD1-CD 3.7Å; D12-K140 IonicContact OD2-NZ 2.75Å; D12-K140 PolarHBondContact OD2-NZ 3.1Å; T14-K140 HydrophobicContact CG2-CD 4.42Å; T14-K140 VanDerWaalsContact OG1-CE 3.27Å; T14-K140 WeakPolarHBondContact OG1-CE 3.48Å; T14-K140 PolarHBondContact OG1-NZ 2.88Å; T14-K140 VanDerWaalsContact OG1-NZ 3.1Å; A136-K140 PolarHBondContact O-N 2.79Å; L137-K140 PolarHBondContact O-N 2.94Å; T138-K140 VanDerWaalsContact C-N 3.35Å; T138-K140 PolarHBondContact O-N 3.03Å; K140-R142 VanDerWaalsContact C-N 3.34Å; K140-R142 PolarHBondContact O-N 3.48Å; K140-E143 PolarHBondContact O-N 3.25Å; K140-Q144 WeakPolarHBondContact O-CB 3.45Å; K140-Q144 PolarHBondContact O-N 2.95Å; K140-M147 HydrophobicContact CG-SD 4.38Å
141L94.2Very high93.4Very high1 Ų124.7 Ų24.71%0.00512%0.121CC..Hα-helixtrans-66.3-33.1178.1-65.8170.5000112.5V38 F40 V62 L137 T138 K139 G145 M147V38-L141 HydrophobicContact CB-CD2 4.29Å; V38-L141 HydrophobicContact CG1-CD1 3.88Å; V38-L141 HydrophobicContact CG1-CD2 4.24Å; F40-L141 HydrophobicContact CB-CD1 4.36Å; F40-L141 HydrophobicContact CD1-CB 3.75Å; F40-L141 HydrophobicContact CD1-CD1 3.85Å; F40-L141 HydrophobicContact CD1-CG 4.47Å; F40-L141 HydrophobicContact CE1-CB 3.92Å; V62-L141 HydrophobicContact CG2-CD1 4.42Å; L137-L141 HydrophobicContact CD1-CD1 4.18Å; L137-L141 HydrophobicContact CD1-CG 4.25Å; L137-L141 HydrophobicContact CG-CD1 4.12Å; L137-L141 WeakPolarHBondContact O-CG 3.2Å; L137-L141 PolarHBondContact O-N 3.12Å; T138-L141 PolarHBondContact O-N 3.43Å; K139-L141 PolarHBondContact O-N 3.31Å; L141-G145 CarbonylContact O-C 3.57Å; L141-G145 WeakPolarHBondContact O-CA 3.41Å; L141-G145 PolarHBondContact O-N 3.43Å; L141-M147 HydrophobicContact CD2-CB 4.41Å; L141-M147 HydrophobicContact CD2-CG 4.18Å; L141-M147 HydrophobicContact CD2-SD 4.47Å
142R90.3Very high93.3Very high52 Ų5222.7 Ų22.720%0.19611%0.111CC..Hα-helixtrans-67.2-41.5172.7-76.3-74.9-61-159.9-4.5112.2F40 T138 K139 K140 K287 Y288 G922 W924F40-R142 HydrophobicContact CE1-CG 4.13Å; F40-R142 HydrophobicContact CZ-CG 3.85Å; T138-R142 HydrophobicContact CG2-CG 4.35Å; T138-R142 WeakPolarHBondContact O-CB 3.33Å; T138-R142 VanDerWaalsContact O-CG 3.29Å; T138-R142 WeakPolarHBondContact O-CG 3.33Å; T138-R142 PolarHBondContact O-N 2.97Å; K139-R142 WeakPolarHBondContact O-CB 3.13Å; K139-R142 PolarHBondContact O-N 2.98Å; K140-R142 VanDerWaalsContact C-N 3.34Å; K140-R142 PolarHBondContact O-N 3.48Å; R142-K287 VanDerWaalsContact O-CE 3.26Å; R142-K287 WeakPolarHBondContact O-CE 3.41Å; R142-K287 PolarHBondContact O-NZ 3.27Å; R142-Y288 PolarHBondContact NH1-OH 2.84Å; R142-G922 WeakPolarHBondContact CD-O 3.43Å; R142-G922 WeakPolarHBondContact CG-O 3.23Å; R142-G922 VanDerWaalsContact CZ-O 3.23Å; R142-G922 PolarHBondContact NE-O 2.67Å; R142-W924 HydrophobicContact CB-CB 4.2Å; R142-W924 HydrophobicContact CG-CB 4.4Å; R142-W924 PolarHBondContact NH2-O 3.02Å
143E90.7Very high93.1Very high108 Ų10823.6 Ų23.651%0.50511%0.114SC..Hα-helixtrans-77.7-42.4-177-73.3177.4175.800113.2K139 K140 K287 W924K139-E143 WeakPolarHBondContact O-CB 3.42Å; K139-E143 WeakPolarHBondContact O-CG 3.46Å; K139-E143 PolarHBondContact O-N 3.39Å; K140-E143 PolarHBondContact O-N 3.25Å; E143-K287 VanDerWaalsContact C-NZ 3.35Å; E143-K287 WeakPolarHBondContact O-CE 3.5Å; E143-K287 PolarHBondContact O-NZ 3.46Å; E143-W924 PolarHBondContact OE1-NE1 2.73Å
144Q91.2Very high92.8Very high100 Ų10028.1 Ų28.147%0.46714%0.135SC..Hα-helixtrans-97.6-17.4-176.3-58.1-166.71.700113.4D12 K140 M147D12-Q144 PolarHBondContact OD2-OE1 3.13Å; K140-Q144 WeakPolarHBondContact O-CB 3.45Å; K140-Q144 PolarHBondContact O-N 2.95Å; Q144-M147 HydrophobicContact CB-SD 4.09Å; Q144-M147 PolarHBondContact OE1-SD 2.64Å
145G91Very high92.4Very high3 Ų335.9 Ų35.93%0.03117%0.168CC..  trans93.2177.3-169.600000112.6L141 M147 K287L141-G145 CarbonylContact O-C 3.57Å; L141-G145 WeakPolarHBondContact O-CA 3.41Å; L141-G145 PolarHBondContact O-N 3.43Å; G145-M147 VanDerWaalsContact O-CG 3.3Å; G145-M147 WeakPolarHBondContact O-CG 3.37Å; G145-K287 CarbonylContact C-O 3.59Å; G145-K287 WeakPolarHBondContact CA-O 3.39Å
146S90.9Very high92Very high26 Ų2636.3 Ų36.318%0.18217%0.172CC..SBendtrans-63.2137.7172.350.20000110.3E37 K287E37-S146 PolarHBondContact OE1-OG 3.45Å; E37-S146 VanDerWaalsContact OE1-OG 3.09Å; S146-K287 PolarHBondContact N-O 2.84Å
147M93.7Very high91.5Very high10 Ų1039.3 Ų39.35%0.04919%0.19CC..EExtended strand (participates in β ladder)trans-129.6158.9-170.7-55.4177.375.600111.2E11 D12 E37 V38 K140 L141 Q144 G145E11-M147 HydrophobicContact CG-CB 4.32Å; E11-M147 HydrophobicContact CG-CE 4.07Å; E11-M147 WeakPolarHBondContact OE1-CA 3.44Å; D12-M147 HydrophobicContact CB-CE 3.52Å; E37-M147 CarbonylContact C-O 3.59Å; V38-M147 PolarHBondContact N-O 3.42Å; K140-M147 HydrophobicContact CG-SD 4.38Å; L141-M147 HydrophobicContact CD2-CB 4.41Å; L141-M147 HydrophobicContact CD2-CG 4.18Å; L141-M147 HydrophobicContact CD2-SD 4.47Å; Q144-M147 HydrophobicContact CB-SD 4.09Å; Q144-M147 PolarHBondContact OE1-SD 2.64Å; G145-M147 VanDerWaalsContact O-CG 3.3Å; G145-M147 WeakPolarHBondContact O-CG 3.37Å
148L95.5Very high90.6Very high22 Ų2246.6 Ų46.612%0.11523%0.234CC..EExtended strand (participates in β ladder)trans-75135.7167.5-55.4179.7000110.6E11 E37 F166 D168E11-L148 HydrophobicContact CB-CB 4.18Å; E11-L148 HydrophobicContact CG-CB 4.36Å; E11-L148 PolarHBondContact N-O 3.17Å; E11-L148 PolarHBondContact OE1-N 2.98Å; E37-L148 HydrophobicContact CB-CD2 4.37Å; L148-F166 HydrophobicContact CB-CB 4Å; L148-F166 HydrophobicContact CB-CD1 3.98Å; L148-F166 HydrophobicContact CB-CG 4.29Å; L148-F166 HydrophobicContact CD1-CB 3.95Å; L148-D168 HydrophobicContact CD1-CB 3.94Å; L148-D168 HydrophobicContact CD2-CB 4.2Å
149G94.6Very high89.9Confident0 Ų055.3 Ų55.30%028%0.275CS..EExtended strand (participates in β ladder)trans-141.1165.617900000112.2A9 G35 G36 V38 I60A9-G149 CarbonylContact O-C 3.59Å; A9-G149 VanDerWaalsContact O-CA 3.23Å; A9-G149 WeakPolarHBondContact O-CA 3.26Å; G35-G149 VanDerWaalsContact CA-O 3.26Å; G35-G149 WeakPolarHBondContact CA-O 3.3Å; G36-G149 PolarHBondContact N-O 3.47Å; G36-G149 PolarHBondContact O-N 3.41Å; V38-G149 VanDerWaalsContact CG2-CA 3.47Å; I60-G149 VanDerWaalsContact CD1-O 3.3Å; I60-G149 WeakPolarHBondContact CD1-O 3.32Å
150K94.2Very high89.3Confident28 Ų2855 Ų5512%0.12228%0.275CS..EExtended strand (participates in β ladder)trans-151.7125.4-173.5-163.5171.3-173.9176.20112.1A9 V32 F34 V152 L161 S165 F166A9-K150 PolarHBondContact N-O 3.4Å; A9-K150 PolarHBondContact O-N 3.18Å; V32-K150 WeakPolarHBondContact O-CE 3.48Å; V32-K150 PolarHBondContact O-NZ 2.87Å; F34-K150 CarbonylContact O-C 3.58Å; F34-K150 VanDerWaalsContact O-CA 3.28Å; F34-K150 WeakPolarHBondContact O-CA 3.34Å; K150-V152 HydrophobicContact CD-CG1 4.29Å; K150-V152 HydrophobicContact CG-CG1 4.05Å; K150-L161 HydrophobicContact CB-CD1 4.41Å; K150-L161 HydrophobicContact CD-CD1 4.08Å; K150-S165 PolarHBondContact NZ-O 3.33Å; K150-F166 HydrophobicContact CB-CD1 4.35Å; K150-F166 HydrophobicContact CB-CE1 3.98Å
151I93.7Very high89Confident0 Ų054.5 Ų54.50%027%0.274CS..EExtended strand (participates in β ladder)trans-84.3123.3170.4-59.1-176.3000109C6 Y7 L8 G33 F34 A98 I129 Y153C6-I151 HydrophobicContact CB-CG2 4.38Å; Y7-I151 WeakPolarHBondContact O-CA 3.46Å; L8-I151 HydrophobicContact CD1-CG1 4.12Å; G33-I151 CarbonylContact C-O 3.6Å; G33-I151 WeakPolarHBondContact CA-O 3.32Å; F34-I151 PolarHBondContact N-O 3.42Å; F34-I151 PolarHBondContact O-N 3.2Å; A98-I151 HydrophobicContact CB-CD1 3.62Å; A98-I151 HydrophobicContact CB-CG1 4.41Å; I129-I151 HydrophobicContact CB-CD1 4.17Å; I129-I151 HydrophobicContact CG2-CD1 3.7Å; I129-I151 HydrophobicContact CG2-CG1 4.4Å; I151-Y153 HydrophobicContact CG2-CE2 4.26Å
152V92.6Very high88.5Confident12 Ų1258.2 Ų58.27%0.07330%0.298CS..EExtended strand (participates in β ladder)trans-128.8153178-61.90000111.2C6 Y7 K150 E154 P156 L161C6-V152 CarbonylContact C-O 3.54Å; C6-V152 WeakPolarHBondContact CA-O 3.49Å; C6-V152 WeakPolarHBondContact CB-O 3.27Å; Y7-V152 PolarHBondContact N-O 2.66Å; Y7-V152 PolarHBondContact O-N 3.46Å; K150-V152 HydrophobicContact CD-CG1 4.29Å; K150-V152 HydrophobicContact CG-CG1 4.05Å; V152-E154 WeakPolarHBondContact CG2-O 3.26Å; V152-P156 HydrophobicContact CG2-CG 3.72Å; V152-L161 HydrophobicContact CG1-CD1 3.97Å
153Y90.2Very high88.2Confident27 Ų2763.7 Ų63.711%0.10632%0.324CS..SBendtrans-108.2-2-175.3-62.6-95.4000112.6C6 Y23 V24 P25 F34 P127 I151C6-Y153 HydrophobicContact CB-CD1 3.82Å; C6-Y153 HydrophobicContact CB-CE1 3.95Å; C6-Y153 HydrophobicContact CB-CG 4.41Å; Y23-Y153 PolarHBondContact O-OH 2.71Å; V24-Y153 HydrophobicContact CG1-CD1 4.32Å; V24-Y153 HydrophobicContact CG1-CE1 4.03Å; P25-Y153 WeakPolarHBondContact CD-OH 3.13Å; P25-Y153 HydrophobicContact CG-CD2 3.52Å; P25-Y153 HydrophobicContact CG-CE1 4.5Å; P25-Y153 HydrophobicContact CG-CE2 3.28Å; P25-Y153 HydrophobicContact CG-CG 4.27Å; F34-Y153 HydrophobicContact CD2-CE2 4.46Å; F34-Y153 HydrophobicContact CE2-CE2 4.49Å; P127-Y153 VanDerWaalsContact CB-OH 3.27Å; P127-Y153 WeakPolarHBondContact CB-OH 3.47Å; I151-Y153 HydrophobicContact CG2-CE2 4.26Å
154E87.4Confident87.8Confident115 Ų11563.9 Ų63.954%0.53734%0.337SS..SBendtrans-106.8140.3167.8-66.7-179-176.900108.3V152 P156V152-E154 WeakPolarHBondContact CG2-O 3.26Å; E154-P156 VanDerWaalsContact O-CD 3.24Å; E154-P156 WeakPolarHBondContact O-CD 3.44Å
155K85.7Confident87.5Confident164 Ų16460.7 Ų60.771%0.71333%0.326SS*.PPolyproline II helixtrans-60118.8179.9-173.8171.8-178.5173.70109.9Y7Y7-K155 HydrophobicContact CE1-CB 4.36Å; Y7-K155 HydrophobicContact CE1-CG 3.99Å; Y7-K155 VanDerWaalsContact CE2-CA 3.5Å; Y7-K155 HydrophobicContact CE2-CB 3.89Å; Y7-K155 HydrophobicContact CE2-CG 4.42Å
156P85.6Confident87.5Confident14 Ų1461.5 Ų61.59%0.09133%0.329CS..PPolyproline II helixtrans-61.2157.2178.1-23.133.4000112.4Y7 A9 V15 V152 E154 L161Y7-P156 HydrophobicContact CG-CG 4.39Å; A9-P156 HydrophobicContact CB-CG 4.33Å; V15-P156 HydrophobicContact CG1-CB 4.25Å; V15-P156 HydrophobicContact CG1-CG 3.67Å; V15-P156 HydrophobicContact CG2-CB 3.83Å; V15-P156 HydrophobicContact CG2-CG 4.01Å; V152-P156 HydrophobicContact CG2-CG 3.72Å; E154-P156 VanDerWaalsContact O-CD 3.24Å; E154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-L161 HydrophobicContact CB-CD2 4.21Å; P156-L161 HydrophobicContact CB-CG 4.38Å
157P83.4Confident87.3Confident76 Ų7665.2 Ų65.249%0.49435%0.35SS..PPolyproline II helixtrans-59.8154.9168.4-3.714.8000110.9E159 G160P157-E159 PolarHBondContact O-N 3.47Å; P157-G160 WeakPolarHBondContact CG-O 3.43Å; P157-G160 WeakPolarHBondContact O-CA 3.34Å; P157-G160 PolarHBondContact O-N 3.01Å
158V78.3Confident87.1Confident155 Ų15567.7 Ų67.794%0.93936%0.363SS*.THydrogen-bonded Turntrans-60.3-30.6179.9-178.80000112.3G160V158-G160 PolarHBondContact O-N 2.77Å
159E78.5Confident86.9Confident189 Ų18966.8 Ų66.888%0.88336%0.359SS*.THydrogen-bonded Turntrans-76-1.1175.6-62178.518000113.4P157P157-E159 PolarHBondContact O-N 3.47Å
160G81.3Confident86.6Confident6 Ų667.7 Ų67.76%0.06236%0.364CS..  trans85.8-177.2-173.200000113.4P157 V158P157-G160 WeakPolarHBondContact CG-O 3.43Å; P157-G160 WeakPolarHBondContact O-CA 3.34Å; P157-G160 PolarHBondContact O-N 3.01Å; V158-G160 PolarHBondContact O-N 2.77Å
161L86.1Confident86.4Confident37 Ų3772.2 Ų72.219%0.19439%0.393CS..SBendtrans-79.7150.3173.7-65.2177.8000110.6A9 K150 V152 P156 K163 F166A9-L161 HydrophobicContact CB-CD1 3.59Å; A9-L161 HydrophobicContact CB-CG 3.92Å; K150-L161 HydrophobicContact CB-CD1 4.41Å; K150-L161 HydrophobicContact CD-CD1 4.08Å; V152-L161 HydrophobicContact CG1-CD1 3.97Å; P156-L161 HydrophobicContact CB-CD2 4.21Å; P156-L161 HydrophobicContact CB-CG 4.38Å; L161-K163 PolarHBondContact O-N 2.95Å; L161-F166 HydrophobicContact CB-CE2 3.9Å; L161-F166 HydrophobicContact CB-CZ 4.05Å; L161-F166 HydrophobicContact CD1-CZ 4.46Å
162P84.6Confident86.2Confident78 Ų7876.8 Ų76.851%0.50641%0.41SS..  trans-56.6136.4175.1-21.731.6000111.1S164 S165P162-S164 PolarHBondContact O-N 3.36Å; P162-S164 VanDerWaalsContact O-N 3.09Å; P162-S165 VanDerWaalsContact O-CB 3.25Å; P162-S165 WeakPolarHBondContact O-CB 3.29Å; P162-S165 PolarHBondContact O-N 3.27Å; P162-S165 PolarHBondContact O-OG 2.95Å
163K82.3Confident86.2Confident167 Ų16778 Ų7873%0.72642%0.416SS*.G310 helixtrans-53.2-33.8176.8-73.3-168.1174.5-169.80113.2L161 S165 F166L161-K163 PolarHBondContact O-N 2.95Å; K163-S165 PolarHBondContact O-N 3.34Å; K163-F166 PolarHBondContact O-N 3.43Å
164S83.3Confident86.3Confident112 Ų11276.8 Ų76.878%0.78341%0.412SS*.G310 helixtrans-64.8-14.9175.755.50000114.8P162P162-S164 PolarHBondContact O-N 3.36Å; P162-S164 VanDerWaalsContact O-N 3.09Å
165S85.5Confident86.4Confident34 Ų3471.3 Ų71.324%0.23839%0.387CS..G310 helixtrans-83.9-11.9178.176.40000113.7K150 P162 K163K150-S165 PolarHBondContact NZ-O 3.33Å; P162-S165 VanDerWaalsContact O-CB 3.25Å; P162-S165 WeakPolarHBondContact O-CB 3.29Å; P162-S165 PolarHBondContact O-N 3.27Å; P162-S165 PolarHBondContact O-OG 2.95Å; K163-S165 PolarHBondContact O-N 3.34Å
166F90.1Very high86.7Confident20 Ų2069.3 Ų69.39%0.08838%0.378CS..  trans-91.9130.3174.2-61.6-90.1000109.3A9 L10 E11 L148 K150 L161 K163A9-F166 WeakPolarHBondContact O-CE1 3.37Å; L10-F166 WeakPolarHBondContact O-CZ 3.47Å; E11-F166 HydrophobicContact CB-CD1 4.31Å; E11-F166 HydrophobicContact CB-CD2 4.19Å; E11-F166 HydrophobicContact CB-CE1 4.4Å; E11-F166 HydrophobicContact CB-CE2 4.28Å; E11-F166 HydrophobicContact CB-CG 4.2Å; E11-F166 HydrophobicContact CB-CZ 4.39Å; L148-F166 HydrophobicContact CB-CB 4Å; L148-F166 HydrophobicContact CB-CD1 3.98Å; L148-F166 HydrophobicContact CB-CG 4.29Å; L148-F166 HydrophobicContact CD1-CB 3.95Å; K150-F166 HydrophobicContact CB-CD1 4.35Å; K150-F166 HydrophobicContact CB-CE1 3.98Å; L161-F166 HydrophobicContact CB-CE2 3.9Å; L161-F166 HydrophobicContact CB-CZ 4.05Å; L161-F166 HydrophobicContact CD1-CZ 4.46Å; K163-F166 PolarHBondContact O-N 3.43Å
167V86.7Confident87Confident104 Ų10473.1 Ų73.163%0.6339%0.394SS*.  trans-112.8116.1178.7179.60000107.7P169V167-P169 VanDerWaalsContact O-CD 3.28Å; V167-P169 WeakPolarHBondContact O-CD 3.42Å
168D90.5Very high87.5Confident61 Ų6169.9 Ų69.933%0.32637%0.373SS..  trans-69.4115177.8-175.4-2.3000110.5L148 N170 V171L148-D168 HydrophobicContact CD1-CB 3.94Å; L148-D168 HydrophobicContact CD2-CB 4.2Å; D168-N170 PolarHBondContact O-N 3.1Å; D168-N170 VanDerWaalsContact OD1-CB 3.32Å; D168-N170 WeakPolarHBondContact OD1-CB 3.17Å; D168-N170 PolarHBondContact OD1-N 3.22Å; D168-N170 PolarHBondContact OD1-ND2 3.1Å; D168-V171 HydrophobicContact CB-CG2 4.01Å; D168-V171 PolarHBondContact O-N 3.05Å
169P90.7Very high88.2Confident3 Ų362.7 Ų62.72%0.01933%0.33CS..G310 helixtrans-64.6-25.4176.930.6-38.1000112.7E37 G58 V167 V171 R172 L174E37-P169 HydrophobicContact CB-CG 3.87Å; G58-P169 WeakPolarHBondContact O-CG 3.45Å; V167-P169 VanDerWaalsContact O-CD 3.28Å; V167-P169 WeakPolarHBondContact O-CD 3.42Å; P169-V171 PolarHBondContact O-N 3.22Å; P169-R172 WeakPolarHBondContact O-CB 3.2Å; P169-R172 PolarHBondContact O-N 3.25Å; P169-R172 VanDerWaalsContact O-N 3.1Å; P169-L174 HydrophobicContact CB-CD1 4.28Å
170N88.8Confident88.8Confident20 Ų2054.2 Ų54.211%0.10729%0.291CS..G310 helixtrans-74.2-10.2-176.2-66.1-62.3000113.9E37 D168 R172E37-N170 PolarHBondContact OE2-ND2 3.35Å; D168-N170 PolarHBondContact O-N 3.1Å; D168-N170 VanDerWaalsContact OD1-CB 3.32Å; D168-N170 WeakPolarHBondContact OD1-CB 3.17Å; D168-N170 PolarHBondContact OD1-N 3.22Å; D168-N170 PolarHBondContact OD1-ND2 3.1Å; N170-R172 VanDerWaalsContact C-N 3.31Å
171V89.2Confident89.3Confident123 Ų12360.9 Ų60.975%0.74532%0.318SS*.G310 helixtrans-77.6-21.1170.4-179.70000111.4D168 P169D168-V171 HydrophobicContact CB-CG2 4.01Å; D168-V171 PolarHBondContact O-N 3.05Å; P169-V171 PolarHBondContact O-N 3.22Å
172R90.2Very high89.6Confident95 Ų9566.3 Ų66.336%0.35834%0.343SS..SBendtrans-86.1149.9177-57.7-175.1-68.9143-6.3109.9P169 N170 L174 E177P169-R172 WeakPolarHBondContact O-CB 3.2Å; P169-R172 PolarHBondContact O-N 3.25Å; P169-R172 VanDerWaalsContact O-N 3.1Å; N170-R172 VanDerWaalsContact C-N 3.31Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 HydrophobicContact CB-CD2 4.06Å; R172-L174 PolarHBondContact O-N 3.38Å; R172-E177 IonicContact CZ-OE1 3.09Å; R172-E177 IonicContact CZ-OE2 3Å; R172-E177 IonicContact NE-OE1 2.62Å; R172-E177 IonicContact NH1-OE1 3.85Å; R172-E177 PolarHBondContact NH1-OE1 3.5Å; R172-E177 IonicContact NH1-OE2 4Å; R172-E177 PolarHBondContact NH1-OE2 3.36Å
173N91Very high89.9Confident37 Ų3769.2 Ų69.220%0.19834%0.344CS..  trans-80.284.5170-174.8-34.6000108.9A175 K176 E177 W223 S246N173-A175 VanDerWaalsContact C-N 3.3Å; N173-A175 PolarHBondContact O-N 3.45Å; N173-A175 PolarHBondContact OD1-N 3.04Å; N173-K176 HydrophobicContact CB-CB 4.16Å; N173-K176 WeakPolarHBondContact O-CB 3.27Å; N173-K176 PolarHBondContact O-N 3.22Å; N173-K176 VanDerWaalsContact OD1-CB 3.23Å; N173-K176 WeakPolarHBondContact OD1-CB 3.37Å; N173-K176 PolarHBondContact OD1-N 3.36Å; N173-E177 PolarHBondContact O-N 3.4Å; N173-W223 WeakPolarHBondContact ND2-CH2 3.24Å; N173-W223 WeakPolarHBondContact ND2-CZ3 3.37Å; N173-S246 PolarHBondContact ND2-O 3.17Å
174L92.5Very high90.3Very high3 Ų364.5 Ų64.52%0.01632%0.324CS..Hα-helixtrans-67.9-29.7-176.8-60.1176.8000112.5P169 R172 K176 E177 C178 P241P169-L174 HydrophobicContact CB-CD1 4.28Å; R172-L174 VanDerWaalsContact C-N 3.31Å; R172-L174 HydrophobicContact CB-CD2 4.06Å; R172-L174 PolarHBondContact O-N 3.38Å; L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 3.04Å; L174-E177 PolarHBondContact O-N 3.1Å; L174-E177 VanDerWaalsContact O-N 3.17Å; L174-C178 WeakPolarHBondContact O-CB 3.25Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 PolarHBondContact O-SG 3.49Å; L174-P241 HydrophobicContact CB-CB 4.01Å; L174-P241 HydrophobicContact CB-CG 3.66Å; L174-P241 HydrophobicContact CD1-CB 4.13Å
175A90.4Very high90.6Very high0 Ų062.4 Ų62.40%031%0.306CS..Hα-helixtrans-58.9-43.7173.100000111.6N173 C178 S179 C201 W223 L270N173-A175 VanDerWaalsContact C-N 3.3Å; N173-A175 PolarHBondContact O-N 3.45Å; N173-A175 PolarHBondContact OD1-N 3.04Å; A175-C178 PolarHBondContact O-N 2.79Å; A175-S179 VanDerWaalsContact O-CB 3.26Å; A175-S179 WeakPolarHBondContact O-CB 3.44Å; A175-S179 PolarHBondContact O-N 2.97Å; A175-C201 WeakPolarHBondContact CA-O 3.29Å; A175-C201 HydrophobicContact CB-CB 4.09Å; A175-W223 HydrophobicContact CB-CE3 4.23Å; A175-L270 HydrophobicContact CB-CD2 4.18Å
176K91.8Very high90.8Very high122 Ų12262.6 Ų62.653%0.5330%0.302SS..Hα-helixtrans-63.6-40173.6177.9-179.2177.5-176.70112.8N173 L174 K181 W223N173-K176 HydrophobicContact CB-CB 4.16Å; N173-K176 WeakPolarHBondContact O-CB 3.27Å; N173-K176 PolarHBondContact O-N 3.22Å; N173-K176 VanDerWaalsContact OD1-CB 3.23Å; N173-K176 WeakPolarHBondContact OD1-CB 3.37Å; N173-K176 PolarHBondContact OD1-N 3.36Å; L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 3.04Å; K176-K181 PolarHBondContact O-NZ 3.43Å; K176-W223 HydrophobicContact CB-CD2 4.08Å; K176-W223 HydrophobicContact CB-CH2 4.49Å; K176-W223 HydrophobicContact CB-CZ2 3.77Å; K176-W223 HydrophobicContact CD-CZ2 4.06Å; K176-W223 HydrophobicContact CG-CZ2 4.03Å
177E92.1Very high90.6Very high93 Ų9363.8 Ų63.844%0.43532%0.32SS..Hα-helixtrans-62.8-47.9178.2-69.1-176.7-163.100110.2R172 N173 L174 K181R172-E177 IonicContact CZ-OE1 3.09Å; R172-E177 IonicContact CZ-OE2 3Å; R172-E177 IonicContact NE-OE1 2.62Å; R172-E177 IonicContact NH1-OE1 3.85Å; R172-E177 PolarHBondContact NH1-OE1 3.5Å; R172-E177 IonicContact NH1-OE2 4Å; R172-E177 PolarHBondContact NH1-OE2 3.36Å; N173-E177 PolarHBondContact O-N 3.4Å; L174-E177 PolarHBondContact O-N 3.1Å; L174-E177 VanDerWaalsContact O-N 3.17Å; E177-K181 PolarHBondContact O-NZ 2.83Å
178C93Very high90.4Very high8 Ų863.6 Ų63.65%0.05432%0.316CS..Hα-helixtrans-73.3-43.5-176.5-630000112.6R54 S57 L174 A175R54-C178 PolarHBondContact NH1-O 3.25Å; R54-C178 PolarHBondContact NH2-O 2.94Å; S57-C178 PolarHBondContact OG-SG 3.44Å; L174-C178 WeakPolarHBondContact O-CB 3.25Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 PolarHBondContact O-SG 3.49Å; A175-C178 PolarHBondContact O-N 2.79Å
179S93.4Very high89.5Confident4 Ų464.3 Ų64.33%0.02832%0.324CS..SBendtrans-40.7139.6-178.2175.20000114.9A175 K181 D200 P222 W223A175-S179 VanDerWaalsContact O-CB 3.26Å; A175-S179 WeakPolarHBondContact O-CB 3.44Å; A175-S179 PolarHBondContact O-N 2.97Å; S179-K181 WeakPolarHBondContact O-CE 3.28Å; S179-K181 PolarHBondContact O-NZ 2.87Å; S179-D200 WeakPolarHBondContact CA-O 3.5Å; S179-D200 WeakPolarHBondContact CA-OD2 3.4Å; S179-D200 WeakPolarHBondContact CB-O 3.17Å; S179-D200 PolarHBondContact OG-O 2.74Å; S179-P222 VanDerWaalsContact OG-CA 3.3Å; S179-P222 WeakPolarHBondContact OG-CA 3.4Å; S179-W223 PolarHBondContact OG-N 2.79Å
180V92.4Very high88.8Confident11 Ų1171.4 Ų71.47%0.06736%0.362CS..  trans-51.3146163-68.80000110W89 D200 L220 P222W89-V180 HydrophobicContact CH2-CG1 4.11Å; V180-D200 WeakPolarHBondContact CG1-OD2 3.25Å; V180-D200 HydrophobicContact CG2-CB 4Å; V180-D200 PolarHBondContact N-OD2 2.96Å; V180-L220 HydrophobicContact CG1-CD2 3.74Å; V180-L220 HydrophobicContact CG1-CG 4.44Å; V180-L220 HydrophobicContact CG2-CD2 4.29Å; V180-L220 HydrophobicContact CG2-CG 4.08Å; V180-P222 HydrophobicContact CG2-CG 4.49Å; V180-P222 WeakPolarHBondContact O-CB 3.32Å
181K91.9Very high88.1Confident146 Ų14672 Ų7264%0.63537%0.372SS*.SBendtrans-91.6-22.2-176.6-53.6-50.9178.2-142.60112.7K176 E177 S179K176-K181 PolarHBondContact O-NZ 3.43Å; E177-K181 PolarHBondContact O-NZ 2.83Å; S179-K181 WeakPolarHBondContact O-CE 3.28Å; S179-K181 PolarHBondContact O-NZ 2.87Å
182E91.3Very high87.6Confident152 Ų15276.9 Ų76.971%0.7138%0.383SS*.SBendtrans-132.3156-178.6-64.1-178178.700109.9
183R90.1Very high87.3Confident139 Ų13973.7 Ų73.753%0.52538%0.38SS..  trans-63.8132.9174.4173.8-178.6178.9-167.75110.2T219 L220 L221R183-T219 HydrophobicContact CG-CG2 3.74Å; R183-L220 WeakPolarHBondContact CA-O 3.36Å; R183-L221 HydrophobicContact CB-CD2 4.34Å; R183-L221 HydrophobicContact CG-CD2 3.98Å
184Q91Very high87.3Confident67 Ų6772.5 Ų72.531%0.31338%0.375SS..EExtended strand (participates in β ladder)trans-125.4145.9175.6-60.5176.40.700110Y186 T219 L220Q184-Y186 HydrophobicContact CB-CE2 3.74Å; Q184-Y186 PolarHBondContact OE1-OH 3.09Å; Q184-T219 CarbonylContact O-C 3.53Å; Q184-T219 WeakPolarHBondContact O-CA 3.45Å; Q184-L220 HydrophobicContact CB-CB 4.31Å; Q184-L220 PolarHBondContact N-O 3.43Å; Q184-L220 PolarHBondContact O-N 3.19Å
185V90.4Very high87.3Confident68 Ų6877.1 Ų77.141%0.41239%0.392SS..EExtended strand (participates in β ladder)trans-124.6128-178.8-178.10000109P189 V218 T219V185-P189 HydrophobicContact CG1-CB 4.36Å; V185-P189 HydrophobicContact CG1-CG 4.44Å; V185-V218 CarbonylContact C-O 3.58Å; V185-V218 WeakPolarHBondContact CA-O 3.3Å; V185-T219 HydrophobicContact CG2-CG2 4.41Å
186Y90.4Very high87.5Confident38 Ų3877.2 Ų77.215%0.14939%0.392CS..EExtended strand (participates in β ladder)trans-122.2153178.9-61.6-91.8000110.2L83 M90 Q184 L208 V218 L220L83-Y186 HydrophobicContact CD2-CD1 4.28Å; L83-Y186 HydrophobicContact CD2-CE1 3.72Å; M90-Y186 VanDerWaalsContact CE-OH 3.27Å; M90-Y186 WeakPolarHBondContact CE-OH 3.43Å; Q184-Y186 HydrophobicContact CB-CE2 3.74Å; Q184-Y186 PolarHBondContact OE1-OH 3.09Å; Y186-L208 HydrophobicContact CD1-CD2 4.09Å; Y186-L208 HydrophobicContact CD2-CD1 4.14Å; Y186-L208 HydrophobicContact CD2-CD2 3.77Å; Y186-L208 HydrophobicContact CE1-CD2 4.17Å; Y186-L208 HydrophobicContact CE2-CD2 3.86Å; Y186-L208 HydrophobicContact CG-CD1 4.25Å; Y186-L208 HydrophobicContact CG-CD2 3.9Å; Y186-V218 PolarHBondContact N-O 3.22Å; Y186-V218 PolarHBondContact O-N 3.34Å; Y186-L220 HydrophobicContact CE2-CB 4.3Å; Y186-L220 HydrophobicContact CE2-CD2 4.31Å
187G86Confident87.6Confident45 Ų4571.5 Ų71.546%0.46437%0.368SS..SBendtrans77.6-168.4-173.400000112.9P189G187-P189 WeakPolarHBondContact O-CD 3.41Å
188N81.6Confident87.7Confident100 Ų10067.1 Ų67.154%0.53535%0.347SS..  trans-95.1104.2-179.8-176.2-1.5000110.8N190 G191N188-N190 PolarHBondContact O-N 3.49Å; N188-N190 VanDerWaalsContact O-N 3.16Å; N188-N190 WeakPolarHBondContact OD1-CA 3.41Å; N188-N190 PolarHBondContact OD1-N 3.23Å; N188-G191 VanDerWaalsContact CG-N 3.32Å; N188-G191 WeakPolarHBondContact O-CA 3.18Å; N188-G191 PolarHBondContact O-N 2.94Å; N188-G191 PolarHBondContact OD1-N 3.22Å
189P71.6Confident87.8Confident76 Ų7666.7 Ų66.749%0.49435%0.345SS..THydrogen-bonded Turntrans-64.5-18.4178.524.6-33.4000113.9V185 G187 S217V185-P189 HydrophobicContact CG1-CB 4.36Å; V185-P189 HydrophobicContact CG1-CG 4.44Å; G187-P189 WeakPolarHBondContact O-CD 3.41Å; P189-S217 VanDerWaalsContact CA-OG 3.28Å; P189-S217 WeakPolarHBondContact CA-OG 3.13Å
190N75.9Confident87.9Confident153 Ų15366.5 Ų66.582%0.81834%0.343SS*.THydrogen-bonded Turntrans-1007.5173.3-60.6-38.8000112.4N188N188-N190 PolarHBondContact O-N 3.49Å; N188-N190 VanDerWaalsContact O-N 3.16Å; N188-N190 WeakPolarHBondContact OD1-CA 3.41Å; N188-N190 PolarHBondContact OD1-N 3.23Å
191G74.5Confident87.9Confident32 Ų3266 Ų6633%0.3334%0.34SS..SBendtrans-73169.2178.700000112.5N188 G193N188-G191 VanDerWaalsContact CG-N 3.32Å; N188-G191 WeakPolarHBondContact O-CA 3.18Å; N188-G191 PolarHBondContact O-N 2.94Å; N188-G191 PolarHBondContact OD1-N 3.22Å; G191-G193 PolarHBondContact O-N 3Å
192K78.3Confident88Confident225 Ų22559.1 Ų59.198%0.97831%0.31SS*.SBendtrans-77.7-7.2174.1-68.5-175177.8-179.30113.7
193G84Confident88.1Confident28 Ų2851.9 Ų51.929%0.28928%0.276SS..SBendtrans-74.8160.5-18000000112.8G191 G215G191-G193 PolarHBondContact O-N 3Å; G193-G215 WeakPolarHBondContact CA-O 3.34Å
194P90.2Very high88.3Confident13 Ų1345.2 Ų45.28%0.08425%0.251CS..  trans-69.6146.8-179.930.3-35.1000111.8S217 M371 I374P194-S217 PolarHBondContact O-N 2.95Å; P194-M371 HydrophobicContact CG-CE 3.42Å; P194-M371 VanDerWaalsContact CG-CE 3.42Å; P194-M371 HydrophobicContact CG-SD 4.18Å; P194-I374 HydrophobicContact CB-CD1 3.8Å; P194-I374 HydrophobicContact CB-CG2 3.87Å; P194-I374 HydrophobicContact CG-CD1 3.89Å
195R92.6Very high88.4Confident100 Ų10042 Ų4238%0.37724%0.237SC..EExtended strand (participates in β ladder)trans-86.7115.5174-59.2170-65159.95109.3S217 E230 D233 A234R195-S217 CarbonylContact C-O 3.53Å; R195-S217 WeakPolarHBondContact CA-O 3.48Å; R195-E230 PolarHBondContact NH1-O 3.07Å; R195-D233 VanDerWaalsContact CB-OD2 3.28Å; R195-D233 WeakPolarHBondContact CB-OD2 3.46Å; R195-D233 IonicContact CZ-OD1 3.61Å; R195-D233 IonicContact CZ-OD2 3.77Å; R195-D233 PolarHBondContact N-OD2 3.21Å; R195-D233 IonicContact NE-OD1 3.01Å; R195-D233 IonicContact NE-OD2 3.02Å; R195-D233 PolarHBondContact NE-OD2 3.23Å; R195-D233 VanDerWaalsContact NE-OD2 3.15Å; R195-D233 IonicContact NH2-OD1 3.63Å; R195-D233 PolarHBondContact NH2-OD1 2.84Å; R195-D233 IonicContact NH2-OD2 3.48Å; R195-D233 PolarHBondContact O-N 3.49Å; R195-A234 PolarHBondContact O-N 3.36Å
196I94.4Very high88.5Confident1 Ų139.4 Ų39.41%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-111.3124.9-177.6-57-179.4000108.8I198 L211 A216 S217 V218 T219 A234 F236 F370 M371 I374I196-I198 HydrophobicContact CG2-CG1 4.43Å; I196-L211 HydrophobicContact CD1-CD2 3.83Å; I196-L211 HydrophobicContact CG2-CD1 4.36Å; I196-A216 HydrophobicContact CD1-CB 3.51Å; I196-A216 HydrophobicContact CG1-CB 4.12Å; I196-S217 PolarHBondContact N-O 3.12Å; I196-V218 CarbonylContact O-C 3.5Å; I196-V218 WeakPolarHBondContact O-CA 3.47Å; I196-T219 PolarHBondContact O-N 2.88Å; I196-A234 WeakPolarHBondContact CA-O 3.44Å; I196-F236 HydrophobicContact CG2-CB 3.97Å; I196-F370 HydrophobicContact CD1-CE1 3.98Å; I196-F370 HydrophobicContact CG2-CE1 4.07Å; I196-F370 HydrophobicContact CG2-CZ 4.41Å; I196-M371 HydrophobicContact CD1-SD 3.59Å; I196-M371 VanDerWaalsContact CD1-SD 3.59Å; I196-I374 HydrophobicContact CD1-CD1 4.26Å; I196-I374 HydrophobicContact CG1-CD1 4.39Å
197A94.5Very high88.7Confident3 Ų337.6 Ų37.63%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-90.3125.8169.500000109.4T219 L221 F232 A234 L235 F236A197-T219 WeakPolarHBondContact CA-O 3.15Å; A197-L221 HydrophobicContact CB-CD1 4.01Å; A197-F232 HydrophobicContact CB-CB 3.62Å; A197-F232 HydrophobicContact CB-CD1 3.74Å; A197-F232 HydrophobicContact CB-CD2 4.26Å; A197-F232 HydrophobicContact CB-CE1 4.49Å; A197-F232 HydrophobicContact CB-CG 3.6Å; A197-A234 PolarHBondContact N-O 3.45Å; A197-L235 HydrophobicContact CB-CD1 4.33Å; A197-F236 PolarHBondContact O-N 3.46Å
198I95.3Very high89Confident0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-107125.7171.5-57.2176.9000109.3I196 L203 L208 L211 V218 T219 L220 L221 F236I196-I198 HydrophobicContact CG2-CG1 4.43Å; I198-L203 HydrophobicContact CD1-CD1 4Å; I198-L203 HydrophobicContact CG2-CD1 3.55Å; I198-L208 HydrophobicContact CD1-CD1 4.38Å; I198-L211 HydrophobicContact CD1-CD1 3.74Å; I198-L211 HydrophobicContact CG1-CD1 4.3Å; I198-V218 HydrophobicContact CD1-CG1 3.33Å; I198-V218 HydrophobicContact CG1-CG1 3.68Å; I198-T219 PolarHBondContact N-O 2.82Å; I198-L220 HydrophobicContact CB-CD1 3.85Å; I198-L220 HydrophobicContact CG2-CD1 3.82Å; I198-L221 WeakPolarHBondContact O-CB 3.23Å; I198-L221 PolarHBondContact O-N 3.29Å; I198-F236 WeakPolarHBondContact CA-O 3.35Å; I198-F236 HydrophobicContact CD1-CD1 4.36Å; I198-F236 HydrophobicContact CG1-CB 4Å; I198-F236 HydrophobicContact CG1-CD1 4.05Å; I198-F236 HydrophobicContact CG1-CG 4.31Å; I198-F236 HydrophobicContact CG2-CD1 3.97Å
199L94.9Very high89.6Confident0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans-83.8110.7165.4-70.9-178.6000109.6C201 L221 A225 L227 L235 F236 L237 S238 I250 V254L199-C201 PolarHBondContact O-N 2.87Å; L199-L221 HydrophobicContact CD2-CB 4.16Å; L199-L221 HydrophobicContact CD2-CD1 4.39Å; L199-A225 HydrophobicContact CD2-CB 4.17Å; L199-L227 HydrophobicContact CD1-CD1 4.09Å; L199-L227 HydrophobicContact CD1-CD2 4.48Å; L199-L227 HydrophobicContact CD2-CD2 3.87Å; L199-L227 HydrophobicContact CD2-CG 4.49Å; L199-L227 HydrophobicContact CG-CD2 4.23Å; L199-L235 HydrophobicContact CG-CD1 4.32Å; L199-F236 PolarHBondContact N-O 3.26Å; L199-F236 VanDerWaalsContact N-O 3.07Å; L199-L237 HydrophobicContact CB-CD2 4.43Å; L199-L237 HydrophobicContact CD1-CD2 3.89Å; L199-L237 HydrophobicContact CG-CD2 4.44Å; L199-S238 WeakPolarHBondContact O-CB 3.35Å; L199-S238 PolarHBondContact O-N 3.15Å; L199-S238 PolarHBondContact O-OG 2.48Å; L199-S238 VanDerWaalsContact O-OG 3.05Å; L199-I250 HydrophobicContact CD1-CG2 3.81Å; L199-V254 HydrophobicContact CD1-CG2 4.44Å
200D94.8Very high90.6Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-79.298.8-179.4179.216000111.8R54 S179 V180 G202 L203 L220 L221 W223R54-D200 IonicContact NH1-OD1 3.36Å; R54-D200 IonicContact NH1-OD2 2.57Å; R54-D200 PolarHBondContact NH1-OD2 2.8Å; S179-D200 WeakPolarHBondContact CA-O 3.5Å; S179-D200 WeakPolarHBondContact CA-OD2 3.4Å; S179-D200 WeakPolarHBondContact CB-O 3.17Å; S179-D200 PolarHBondContact OG-O 2.74Å; V180-D200 WeakPolarHBondContact CG1-OD2 3.25Å; V180-D200 HydrophobicContact CG2-CB 4Å; V180-D200 PolarHBondContact N-OD2 2.96Å; D200-G202 WeakPolarHBondContact OD1-CA 3.47Å; D200-G202 PolarHBondContact OD1-N 2.6Å; D200-L203 VanDerWaalsContact OD1-CB 3.3Å; D200-L203 WeakPolarHBondContact OD1-CB 3.24Å; D200-L203 PolarHBondContact OD1-N 3.24Å; D200-L220 HydrophobicContact CB-CD1 3.81Å; D200-L220 HydrophobicContact CB-CG 4.25Å; D200-L221 WeakPolarHBondContact CB-O 3.47Å; D200-L221 PolarHBondContact N-O 2.89Å; D200-W223 WeakPolarHBondContact O-CB 3.35Å; D200-W223 PolarHBondContact O-N 3.22Å
201C93.4Very high91.5Very high1 Ų120.1 Ų20.11%0.00711%0.105CC..SBendtrans-95.212172.2-57.10000113.1A175 L199 S238 N239 G240 P241 I250 L270A175-C201 WeakPolarHBondContact CA-O 3.29Å; A175-C201 HydrophobicContact CB-CB 4.09Å; L199-C201 PolarHBondContact O-N 2.87Å; C201-S238 PolarHBondContact N-OG 2.8Å; C201-N239 CarbonylContact C-O 3.54Å; C201-G240 WeakPolarHBondContact O-CA 3.3Å; C201-P241 WeakPolarHBondContact O-CD 3.3Å; C201-I250 VanDerWaalsContact SG-CD1 3.56Å; C201-L270 HydrophobicContact CB-CD2 3.76Å
202G92.7Very high92.4Very high0 Ų019.1 Ų19.10%09%0.091CC..SBendtrans118.142.6-164.500000112.1R54 D200 N239R54-G202 WeakPolarHBondContact CB-O 3.37Å; D200-G202 WeakPolarHBondContact OD1-CA 3.47Å; D200-G202 PolarHBondContact OD1-N 2.6Å; G202-N239 CarbonylContact C-O 3.28Å; G202-N239 VanDerWaalsContact C-O 3.28Å; G202-N239 PolarHBondContact O-ND2 2.95Å
203L93.8Very high93Very high0 Ų014.2 Ų14.20%07%0.072CC..  trans-58.6135.8-175.7173.9131.2000112.9I198 D200 L205 Q207 L208 L220 N239I198-L203 HydrophobicContact CD1-CD1 4Å; I198-L203 HydrophobicContact CG2-CD1 3.55Å; D200-L203 VanDerWaalsContact OD1-CB 3.3Å; D200-L203 WeakPolarHBondContact OD1-CB 3.24Å; D200-L203 PolarHBondContact OD1-N 3.24Å; L203-L205 HydrophobicContact CD2-CD2 4.17Å; L203-Q207 HydrophobicContact CD1-CB 4.08Å; L203-Q207 HydrophobicContact CG-CB 4.42Å; L203-L208 HydrophobicContact CD2-CB 4.46Å; L203-L220 HydrophobicContact CD1-CD1 4.09Å; L203-N239 WeakPolarHBondContact CA-OD1 3.31Å
204K93.9Very high93.4Very high0 Ų015.8 Ų15.80%07%0.069CC..  trans-73.1125.6158.9-79.2174.1-176.6-175.90110.7D53 E88 N206 Q207 N239 H353 E355 H356D53-K204 WeakPolarHBondContact OD1-CE 3.32Å; D53-K204 IonicContact OD1-NZ 3.61Å; D53-K204 WeakPolarHBondContact OD2-CE 3.25Å; D53-K204 IonicContact OD2-NZ 2.91Å; D53-K204 PolarHBondContact OD2-NZ 2.89Å; E88-K204 HydrophobicContact CB-CG 4.34Å; E88-K204 HydrophobicContact CG-CG 4.35Å; E88-K204 WeakPolarHBondContact OE2-CB 3.32Å; K204-N206 PolarHBondContact O-N 2.99Å; K204-N206 VanDerWaalsContact O-N 3.08Å; K204-Q207 HydrophobicContact CB-CG 4.19Å; K204-Q207 WeakPolarHBondContact O-CB 3.28Å; K204-Q207 PolarHBondContact O-N 3.43Å; K204-N239 PolarHBondContact N-OD1 3.13Å; K204-H353 PolarHBondContact NZ-CE1 3.18Å; K204-H353 VanDerWaalsContact NZ-CE1 3.34Å; K204-H353 PolarHBondContact NZ-ND1 3.09Å; K204-H353 PolarHBondContact NZ-NE2 3.07Å; K204-E355 HydrophobicContact CB-CG 4.44Å; K204-E355 HydrophobicContact CD-CG 4.34Å; K204-H356 PolarHBondContact NZ-CD2 3.41Å; K204-H356 PolarHBondContact NZ-NE2 3.35Å
205L93.4Very high93.4Very high0 Ų017.3 Ų17.30%09%0.087CC..Hα-helixtrans-57.9-25.4179-70.6-179000113L83 P84 E88 W89 M90 L203 Q207 L208 R209L83-L205 HydrophobicContact CD2-CD2 4.35Å; P84-L205 HydrophobicContact CG-CD1 4.38Å; E88-L205 WeakPolarHBondContact O-CG 3.37Å; E88-L205 PolarHBondContact O-N 2.85Å; E88-L205 PolarHBondContact OE2-N 3.4Å; W89-L205 HydrophobicContact CE3-CD2 4.13Å; W89-L205 HydrophobicContact CE3-CG 4.1Å; W89-L205 HydrophobicContact CZ3-CD2 4.04Å; M90-L205 HydrophobicContact CE-CD2 3.99Å; M90-L205 HydrophobicContact CG-CD1 4.45Å; M90-L205 HydrophobicContact SD-CD1 4.08Å; L203-L205 HydrophobicContact CD2-CD2 4.17Å; L205-Q207 PolarHBondContact O-N 2.94Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 PolarHBondContact O-N 2.87Å; L205-L208 VanDerWaalsContact O-N 3.07Å; L205-R209 PolarHBondContact O-N 3.4Å
206N92.6Very high93.4Very high13 Ų1312.8 Ų12.87%0.077%0.071CC..Hα-helixtrans-65.7-25.7176.3-146.145.9000113.5E88 K204 L208 R209 C210 E355 H357E88-N206 PolarHBondContact OE2-N 2.78Å; E88-N206 VanDerWaalsContact OE2-N 3.08Å; K204-N206 PolarHBondContact O-N 2.99Å; K204-N206 VanDerWaalsContact O-N 3.08Å; N206-L208 VanDerWaalsContact C-N 3.27Å; N206-L208 PolarHBondContact O-N 3.36Å; N206-R209 PolarHBondContact O-N 3.3Å; N206-R209 WeakPolarHBondContact OD1-CD 3.4Å; N206-R209 PolarHBondContact OD1-NH1 2.99Å; N206-C210 PolarHBondContact O-N 3.05Å; N206-C210 PolarHBondContact O-SG 2.93Å; N206-E355 HydrophobicContact CB-CB 4.49Å; N206-E355 WeakPolarHBondContact CB-O 3.42Å; N206-E355 PolarHBondContact ND2-O 3.43Å; N206-H357 HydrophobicContact CB-CB 4.28Å
207Q94.5Very high93.3Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-59.6-42.2170.8-60.5-176.7-16.300111L203 K204 L205 L211 F236 S238 N239 E355L203-Q207 HydrophobicContact CD1-CB 4.08Å; L203-Q207 HydrophobicContact CG-CB 4.42Å; K204-Q207 HydrophobicContact CB-CG 4.19Å; K204-Q207 WeakPolarHBondContact O-CB 3.28Å; K204-Q207 PolarHBondContact O-N 3.43Å; L205-Q207 PolarHBondContact O-N 2.94Å; Q207-L211 WeakPolarHBondContact O-CG 3.05Å; Q207-L211 PolarHBondContact O-N 3.33Å; Q207-F236 HydrophobicContact CB-CE1 4.07Å; Q207-F236 HydrophobicContact CB-CZ 4.13Å; Q207-F236 HydrophobicContact CG-CE1 4.34Å; Q207-F236 HydrophobicContact CG-CZ 4.34Å; Q207-S238 VanDerWaalsContact OE1-CB 3.26Å; Q207-N239 PolarHBondContact NE2-OD1 3.11Å; Q207-N239 PolarHBondContact OE1-OD1 3.42Å; Q207-E355 HydrophobicContact CB-CG 4.46Å; Q207-E355 HydrophobicContact CG-CB 3.94Å; Q207-E355 HydrophobicContact CG-CG 3.39Å; Q207-E355 PolarHBondContact NE2-OE1 3.47Å
208L93.2Very high93.3Very high0 Ų012.9 Ų12.90%07%0.072CC..Hα-helixtrans-66.8-44.2176.5179.962.2000110.6L83 Y186 I198 L203 L205 N206 L211 L212 V218L83-L208 HydrophobicContact CD1-CB 4.4Å; L83-L208 HydrophobicContact CD1-CD2 3.66Å; L83-L208 HydrophobicContact CD1-CG 3.89Å; L83-L208 HydrophobicContact CD2-CD2 3.9Å; L83-L208 HydrophobicContact CG-CD2 4.42Å; Y186-L208 HydrophobicContact CD1-CD2 4.09Å; Y186-L208 HydrophobicContact CD2-CD1 4.14Å; Y186-L208 HydrophobicContact CD2-CD2 3.77Å; Y186-L208 HydrophobicContact CE1-CD2 4.17Å; Y186-L208 HydrophobicContact CE2-CD2 3.86Å; Y186-L208 HydrophobicContact CG-CD1 4.25Å; Y186-L208 HydrophobicContact CG-CD2 3.9Å; I198-L208 HydrophobicContact CD1-CD1 4.38Å; L203-L208 HydrophobicContact CD2-CB 4.46Å; L205-L208 WeakPolarHBondContact O-CB 3.49Å; L205-L208 PolarHBondContact O-N 2.87Å; L205-L208 VanDerWaalsContact O-N 3.07Å; N206-L208 VanDerWaalsContact C-N 3.27Å; N206-L208 PolarHBondContact O-N 3.36Å; L208-L211 PolarHBondContact O-N 2.89Å; L208-L212 HydrophobicContact CD1-CD1 3.94Å; L208-L212 HydrophobicContact CD1-CG 4.05Å; L208-L212 HydrophobicContact CD2-CD1 4.48Å; L208-L212 HydrophobicContact CG-CD1 3.76Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 VanDerWaalsContact O-CG 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.2Å; L208-L212 PolarHBondContact O-N 2.56Å; L208-V218 HydrophobicContact CD1-CB 3.66Å; L208-V218 HydrophobicContact CD1-CG1 3.49Å; L208-V218 VanDerWaalsContact CD1-CG1 3.49Å; L208-V218 HydrophobicContact CD1-CG2 3.96Å
209R92.2Very high93.2Very high5 Ų513.5 Ų13.52%0.0198%0.075CC..Hα-helixtrans-58.5-48.3175.8-63.7-171-153.299.67.9112.1D79 L83 P84 F87 L205 N206 L211 L212 Q213D79-R209 WeakPolarHBondContact OD2-CD 2.97Å; D79-R209 IonicContact OD2-NE 3.54Å; D79-R209 PolarHBondContact OD2-NE 2.98Å; L83-R209 HydrophobicContact CD1-CG 3.95Å; P84-R209 PolarHBondContact O-NH2 2.75Å; F87-R209 PolarHBondContact O-NH2 3.19Å; L205-R209 PolarHBondContact O-N 3.4Å; N206-R209 PolarHBondContact O-N 3.3Å; N206-R209 WeakPolarHBondContact OD1-CD 3.4Å; N206-R209 PolarHBondContact OD1-NH1 2.99Å; R209-L211 PolarHBondContact O-N 2.86Å; R209-L212 PolarHBondContact O-N 3.12Å; R209-Q213 WeakPolarHBondContact O-CB 3.4Å; R209-Q213 VanDerWaalsContact O-CG 3.3Å; R209-Q213 WeakPolarHBondContact O-CG 3.32Å; R209-Q213 PolarHBondContact O-N 3.27Å
210C93.6Very high93.2Very high2 Ų213.5 Ų13.51%0.0148%0.076CC..Hα-helixtrans-57.7-37.6-179.6-69.50000112.5N206 R214 F367N206-C210 PolarHBondContact O-N 3.05Å; N206-C210 PolarHBondContact O-SG 2.93Å; C210-R214 VanDerWaalsContact O-CD 3.27Å; C210-R214 WeakPolarHBondContact O-CD 3.21Å; C210-R214 WeakPolarHBondContact O-CG 3.33Å; C210-R214 PolarHBondContact O-NH1 3.03Å; C210-F367 HydrophobicContact CB-CB 4.45Å; C210-F367 HydrophobicContact CB-CD1 3.66Å; C210-F367 HydrophobicContact CB-CD2 3.89Å; C210-F367 HydrophobicContact CB-CE1 3.77Å; C210-F367 HydrophobicContact CB-CE2 4Å; C210-F367 HydrophobicContact CB-CG 3.74Å; C210-F367 HydrophobicContact CB-CZ 3.96Å
211L94.8Very high93.2Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-75.6-42.9177.3-67169.4000112.4I196 I198 Q207 L208 R209 R214 A216 V218 F236 F367 F370 M371I196-L211 HydrophobicContact CD1-CD2 3.83Å; I196-L211 HydrophobicContact CG2-CD1 4.36Å; I198-L211 HydrophobicContact CD1-CD1 3.74Å; I198-L211 HydrophobicContact CG1-CD1 4.3Å; Q207-L211 WeakPolarHBondContact O-CG 3.05Å; Q207-L211 PolarHBondContact O-N 3.33Å; L208-L211 PolarHBondContact O-N 2.89Å; R209-L211 PolarHBondContact O-N 2.86Å; L211-R214 PolarHBondContact O-N 2.79Å; L211-A216 HydrophobicContact CB-CB 4.23Å; L211-A216 VanDerWaalsContact O-CB 3.26Å; L211-A216 WeakPolarHBondContact O-CB 3.24Å; L211-A216 PolarHBondContact O-N 2.94Å; L211-V218 HydrophobicContact CB-CG2 4Å; L211-V218 HydrophobicContact CD1-CG2 4.46Å; L211-F236 HydrophobicContact CD1-CD2 4.14Å; L211-F236 HydrophobicContact CD1-CE2 4.31Å; L211-F236 HydrophobicContact CD1-CG 4.29Å; L211-F367 HydrophobicContact CD2-CD1 3.76Å; L211-F367 HydrophobicContact CD2-CE1 4.23Å; L211-F367 HydrophobicContact CG-CD1 3.97Å; L211-F367 HydrophobicContact CG-CE1 4.06Å; L211-F370 HydrophobicContact CD2-CD1 3.89Å; L211-F370 HydrophobicContact CD2-CE1 4.11Å; L211-M371 HydrophobicContact CD2-SD 4.24Å
212L93.4Very high93.2Very high10 Ų1015.4 Ų15.45%0.0529%0.087CC..Hα-helixtrans-65.6-41.4-179.9-69174.2000112.1H81 L83 L208 R209 R214 G215 A216 V218H81-L212 HydrophobicContact CB-CD1 3.86Å; H81-L212 WeakPolarHBondContact NE2-CB 3.26Å; L83-L212 HydrophobicContact CD1-CD1 4.17Å; L208-L212 HydrophobicContact CD1-CD1 3.94Å; L208-L212 HydrophobicContact CD1-CG 4.05Å; L208-L212 HydrophobicContact CD2-CD1 4.48Å; L208-L212 HydrophobicContact CG-CD1 3.76Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.4Å; L208-L212 VanDerWaalsContact O-CG 3.23Å; L208-L212 WeakPolarHBondContact O-CG 3.2Å; L208-L212 PolarHBondContact O-N 2.56Å; R209-L212 PolarHBondContact O-N 3.12Å; L212-R214 PolarHBondContact O-N 2.74Å; L212-G215 WeakPolarHBondContact O-CA 3.41Å; L212-G215 PolarHBondContact O-N 3.01Å; L212-A216 WeakPolarHBondContact CD2-O 3.46Å; L212-V218 HydrophobicContact CD2-CB 4.4Å; L212-V218 HydrophobicContact CD2-CG2 4Å; L212-V218 HydrophobicContact CG-CG2 4.43Å
213Q90.6Very high93Very high123 Ų12316.3 Ų16.358%0.5759%0.09SC*.Hα-helixtrans-60-26.1175.4-74.3175-4.700112.8R209 G215R209-Q213 WeakPolarHBondContact O-CB 3.4Å; R209-Q213 VanDerWaalsContact O-CG 3.3Å; R209-Q213 WeakPolarHBondContact O-CG 3.32Å; R209-Q213 PolarHBondContact O-N 3.27Å; Q213-G215 VanDerWaalsContact C-N 3.29Å
214R91.9Very high92.5Very high61 Ų6119.5 Ų19.523%0.2311%0.113CC..THydrogen-bonded Turntrans-89.99.5175.5-66.6166.9173.778.12.7113C210 L211 L212 E364 D368 M371C210-R214 VanDerWaalsContact O-CD 3.27Å; C210-R214 WeakPolarHBondContact O-CD 3.21Å; C210-R214 WeakPolarHBondContact O-CG 3.33Å; C210-R214 PolarHBondContact O-NH1 3.03Å; L211-R214 PolarHBondContact O-N 2.79Å; L212-R214 PolarHBondContact O-N 2.74Å; R214-E364 IonicContact CZ-OE1 3.6Å; R214-E364 IonicContact NH1-OE1 3.58Å; R214-E364 PolarHBondContact NH1-OE1 2.78Å; R214-E364 IonicContact NH2-OE1 3.67Å; R214-E364 PolarHBondContact NH2-OE1 3.15Å; R214-D368 IonicContact CZ-OD1 2.93Å; R214-D368 IonicContact NE-OD1 3.16Å; R214-D368 PolarHBondContact NE-OD1 3.2Å; R214-D368 IonicContact NH2-OD1 2.84Å; R214-D368 PolarHBondContact NH2-OD1 3.05Å; R214-D368 IonicContact NH2-OD2 2.83Å; R214-M371 HydrophobicContact CB-CE 4.1Å; R214-M371 HydrophobicContact CB-CG 3.98Å; R214-M371 WeakPolarHBondContact O-CE 3.12Å
215G90.5Very high92.2Very high45 Ų4520.4 Ų20.446%0.46412%0.12SC..THydrogen-bonded Turntrans82.613.5174.200000115.3G193 L212 Q213G193-G215 WeakPolarHBondContact CA-O 3.34Å; L212-G215 WeakPolarHBondContact O-CA 3.41Å; L212-G215 PolarHBondContact O-N 3.01Å; Q213-G215 VanDerWaalsContact C-N 3.29Å
216A92.3Very high91.8Very high4 Ų429 Ų293%0.03315%0.152CC..  trans-68.8147.3176.700000112.3I196 L211 L212 V218 M371I196-A216 HydrophobicContact CD1-CB 3.51Å; I196-A216 HydrophobicContact CG1-CB 4.12Å; L211-A216 HydrophobicContact CB-CB 4.23Å; L211-A216 VanDerWaalsContact O-CB 3.26Å; L211-A216 WeakPolarHBondContact O-CB 3.24Å; L211-A216 PolarHBondContact O-N 2.94Å; L212-A216 WeakPolarHBondContact CD2-O 3.46Å; A216-V218 HydrophobicContact CB-CG2 4Å; A216-M371 HydrophobicContact CB-CE 3.96Å; A216-M371 HydrophobicContact CB-SD 4.24Å
217S93.1Very high91.5Very high6 Ų628.5 Ų28.54%0.04215%0.15CC..EExtended strand (participates in β ladder)trans-95.5118.1160.1-175.60000108.2P189 P194 R195 I196P189-S217 VanDerWaalsContact CA-OG 3.28Å; P189-S217 WeakPolarHBondContact CA-OG 3.13Å; P194-S217 PolarHBondContact O-N 2.95Å; R195-S217 CarbonylContact C-O 3.53Å; R195-S217 WeakPolarHBondContact CA-O 3.48Å; I196-S217 PolarHBondContact N-O 3.12Å
218V94Very high90.8Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-108.1125.9-170.5-178.90000110.7V185 Y186 I196 I198 L208 L211 L212 A216V185-V218 CarbonylContact C-O 3.58Å; V185-V218 WeakPolarHBondContact CA-O 3.3Å; Y186-V218 PolarHBondContact N-O 3.22Å; Y186-V218 PolarHBondContact O-N 3.34Å; I196-V218 CarbonylContact O-C 3.5Å; I196-V218 WeakPolarHBondContact O-CA 3.47Å; I198-V218 HydrophobicContact CD1-CG1 3.33Å; I198-V218 HydrophobicContact CG1-CG1 3.68Å; L208-V218 HydrophobicContact CD1-CB 3.66Å; L208-V218 HydrophobicContact CD1-CG1 3.49Å; L208-V218 VanDerWaalsContact CD1-CG1 3.49Å; L208-V218 HydrophobicContact CD1-CG2 3.96Å; L211-V218 HydrophobicContact CB-CG2 4Å; L211-V218 HydrophobicContact CD1-CG2 4.46Å; L212-V218 HydrophobicContact CD2-CB 4.4Å; L212-V218 HydrophobicContact CD2-CG2 4Å; L212-V218 HydrophobicContact CG-CG2 4.43Å; A216-V218 HydrophobicContact CB-CG2 4Å
219T94Very high89.6Confident13 Ų1336 Ų368%0.0819%0.187CC..EExtended strand (participates in β ladder)trans-101.4108.2166.9-62.70000108.9R183 Q184 V185 I196 A197 I198 L221R183-T219 HydrophobicContact CG-CG2 3.74Å; Q184-T219 CarbonylContact O-C 3.53Å; Q184-T219 WeakPolarHBondContact O-CA 3.45Å; V185-T219 HydrophobicContact CG2-CG2 4.41Å; I196-T219 PolarHBondContact O-N 2.88Å; A197-T219 WeakPolarHBondContact CA-O 3.15Å; I198-T219 PolarHBondContact N-O 2.82Å; T219-L221 HydrophobicContact CG2-CD2 3.72Å; T219-L221 HydrophobicContact CG2-CG 4.06Å
220L93.9Very high88.5Confident1 Ų144 Ų441%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-82.3120.7172.8-171.165.8000109.3V180 R183 Q184 Y186 I198 D200 L203V180-L220 HydrophobicContact CG1-CD2 3.74Å; V180-L220 HydrophobicContact CG1-CG 4.44Å; V180-L220 HydrophobicContact CG2-CD2 4.29Å; V180-L220 HydrophobicContact CG2-CG 4.08Å; R183-L220 WeakPolarHBondContact CA-O 3.36Å; Q184-L220 HydrophobicContact CB-CB 4.31Å; Q184-L220 PolarHBondContact N-O 3.43Å; Q184-L220 PolarHBondContact O-N 3.19Å; Y186-L220 HydrophobicContact CE2-CB 4.3Å; Y186-L220 HydrophobicContact CE2-CD2 4.31Å; I198-L220 HydrophobicContact CB-CD1 3.85Å; I198-L220 HydrophobicContact CG2-CD1 3.82Å; D200-L220 HydrophobicContact CB-CD1 3.81Å; D200-L220 HydrophobicContact CB-CG 4.25Å; L203-L220 HydrophobicContact CD1-CD1 4.09Å
221L94.5Very high87.8Confident14 Ų1447.2 Ų47.27%0.07324%0.24CC..EExtended strand (participates in β ladder)trans-111.7147.5-176.1-64.3173.6000110.5R183 A197 I198 L199 D200 T219 A225 L227R183-L221 HydrophobicContact CB-CD2 4.34Å; R183-L221 HydrophobicContact CG-CD2 3.98Å; A197-L221 HydrophobicContact CB-CD1 4.01Å; I198-L221 WeakPolarHBondContact O-CB 3.23Å; I198-L221 PolarHBondContact O-N 3.29Å; L199-L221 HydrophobicContact CD2-CB 4.16Å; L199-L221 HydrophobicContact CD2-CD1 4.39Å; D200-L221 WeakPolarHBondContact CB-O 3.47Å; D200-L221 PolarHBondContact N-O 2.89Å; T219-L221 HydrophobicContact CG2-CD2 3.72Å; T219-L221 HydrophobicContact CG2-CG 4.06Å; L221-A225 HydrophobicContact CB-CB 3.73Å; L221-A225 HydrophobicContact CD1-CB 4.25Å; L221-A225 HydrophobicContact CD2-CB 4.45Å; L221-A225 HydrophobicContact CG-CB 4.38Å; L221-L227 HydrophobicContact CD1-CD2 3.94Å
222P93.2Very high87.5Confident26 Ų2647.5 Ų47.517%0.16924%0.241CC..EExtended strand (participates in β ladder)trans-54.3146.8167-24.934000111.7S179 V180 S224 A225S179-P222 VanDerWaalsContact OG-CA 3.3Å; S179-P222 WeakPolarHBondContact OG-CA 3.4Å; V180-P222 HydrophobicContact CG2-CG 4.49Å; V180-P222 WeakPolarHBondContact O-CB 3.32Å; P222-S224 PolarHBondContact O-N 2.87Å; P222-A225 WeakPolarHBondContact O-CB 3.47Å; P222-A225 PolarHBondContact O-N 3.4Å
223W88.5Confident87.4Confident19 Ų1949.6 Ų49.67%0.07225%0.252CS..THydrogen-bonded Turntrans-46.9-41.9179.681.7-62.6000112.5N173 A175 K176 S179 D200 A225 C247 I250N173-W223 WeakPolarHBondContact ND2-CH2 3.24Å; N173-W223 WeakPolarHBondContact ND2-CZ3 3.37Å; A175-W223 HydrophobicContact CB-CE3 4.23Å; K176-W223 HydrophobicContact CB-CD2 4.08Å; K176-W223 HydrophobicContact CB-CH2 4.49Å; K176-W223 HydrophobicContact CB-CZ2 3.77Å; K176-W223 HydrophobicContact CD-CZ2 4.06Å; K176-W223 HydrophobicContact CG-CZ2 4.03Å; S179-W223 PolarHBondContact OG-N 2.79Å; D200-W223 WeakPolarHBondContact O-CB 3.35Å; D200-W223 PolarHBondContact O-N 3.22Å; W223-A225 VanDerWaalsContact C-N 3.34Å; W223-A225 PolarHBondContact O-N 2.86Å; W223-C247 HydrophobicContact CZ3-CB 4.45Å; W223-I250 HydrophobicContact CB-CD1 3.7Å; W223-I250 HydrophobicContact CD2-CD1 3.93Å; W223-I250 HydrophobicContact CE3-CD1 3.27Å; W223-I250 HydrophobicContact CE3-CG1 3.81Å; W223-I250 HydrophobicContact CG-CD1 4.18Å; W223-I250 HydrophobicContact CZ3-CD1 4.02Å; W223-I250 HydrophobicContact CZ3-CG1 4.1Å; W223-I250 WeakPolarHBondContact O-CD1 3.49Å; W223-I250 WeakPolarHBondContact O-CG1 3.45Å
224S83.8Confident87.6Confident67 Ų6743.7 Ų43.747%0.46923%0.225SC..THydrogen-bonded Turntrans-89.815.4-178.864.30000114.6P222P222-S224 PolarHBondContact O-N 2.87Å
225A87.1Confident87.7Confident19 Ų1940.8 Ų40.816%0.15721%0.214CC..PPolyproline II helixtrans-64.7139.7-179.500000111.2L199 L221 P222 W223 L227L199-A225 HydrophobicContact CD2-CB 4.17Å; L221-A225 HydrophobicContact CB-CB 3.73Å; L221-A225 HydrophobicContact CD1-CB 4.25Å; L221-A225 HydrophobicContact CD2-CB 4.45Å; L221-A225 HydrophobicContact CG-CB 4.38Å; P222-A225 WeakPolarHBondContact O-CB 3.47Å; P222-A225 PolarHBondContact O-N 3.4Å; W223-A225 VanDerWaalsContact C-N 3.34Å; W223-A225 PolarHBondContact O-N 2.86Å; A225-L227 PolarHBondContact O-N 2.8Å
226R86.9Confident88Confident180 Ų18038.7 Ų38.768%0.67919%0.192SC*.PPolyproline II helixtrans-74.4124.7171.2-175.6178.3-180167.2-1.3108.7
227L85.3Confident88.2Confident4 Ų438.5 Ų38.52%0.02119%0.19CC..PPolyproline II helixtrans-83.4120.1178.1-64178.3000109.8L199 L221 A225 F232 L235 Q253 V257L199-L227 HydrophobicContact CD1-CD1 4.09Å; L199-L227 HydrophobicContact CD1-CD2 4.48Å; L199-L227 HydrophobicContact CD2-CD2 3.87Å; L199-L227 HydrophobicContact CD2-CG 4.49Å; L199-L227 HydrophobicContact CG-CD2 4.23Å; L221-L227 HydrophobicContact CD1-CD2 3.94Å; A225-L227 PolarHBondContact O-N 2.8Å; L227-F232 HydrophobicContact CB-CE1 4.29Å; L227-F232 HydrophobicContact CD2-CE1 4.3Å; L227-L235 HydrophobicContact CD1-CD1 3.75Å; L227-L235 HydrophobicContact CD1-CD2 3.63Å; L227-L235 HydrophobicContact CD1-CG 4.36Å; L227-L235 HydrophobicContact CD2-CD1 3.88Å; L227-Q253 HydrophobicContact CD1-CB 4.15Å; L227-Q253 HydrophobicContact CG-CB 4.32Å; L227-Q253 VanDerWaalsContact N-OE1 3.14Å; L227-V257 HydrophobicContact CB-CG2 4.14Å; L227-V257 HydrophobicContact CD1-CG2 3.71Å
228E79.2Confident88.4Confident90 Ų9038.2 Ų38.242%0.42119%0.188SC..  trans-111.2126.5175.7-68.5179.7-175.400109.7E230 Q231 F232E228-E230 PolarHBondContact O-N 2.55Å; E228-Q231 HydrophobicContact CB-CG 4.03Å; E228-Q231 PolarHBondContact O-N 3.2Å; E228-Q231 PolarHBondContact OE2-NE2 3.26Å; E228-F232 WeakPolarHBondContact O-CE1 3.48Å
229D69.1Low88.4Confident66 Ų6638.2 Ų38.235%0.35319%0.188SC..G310 helixtrans-62.1-27.2-170.2-164.446.1000112.9Q231 K263D229-Q231 PolarHBondContact O-N 3.12Å; D229-Q231 VanDerWaalsContact O-N 3.16Å; D229-K263 PolarHBondContact O-NZ 3.35Å; D229-K263 WeakPolarHBondContact OD1-CE 3.22Å; D229-K263 IonicContact OD1-NZ 3.31Å; D229-K263 PolarHBondContact OD1-NZ 3.04Å
230E68.2Low88.4Confident173 Ų17337.9 Ų37.981%0.80819%0.187SC*.G310 helixtrans-75.3-10-177.4-66.6160.1-172.100113.7R195 E228R195-E230 PolarHBondContact NH1-O 3.07Å; E228-E230 PolarHBondContact O-N 2.55Å
231Q78.4Confident88.4Confident71 Ų7138 Ų3833%0.33219%0.188SC..G310 helixtrans-95.3-15.6-166.1-59.2-167.79.100115.6E228 D229E228-Q231 HydrophobicContact CB-CG 4.03Å; E228-Q231 PolarHBondContact O-N 3.2Å; E228-Q231 PolarHBondContact OE2-NE2 3.26Å; D229-Q231 PolarHBondContact O-N 3.12Å; D229-Q231 VanDerWaalsContact O-N 3.16Å
232F89.7Confident88.1Confident5 Ų537.8 Ų37.82%0.02219%0.189CC..  trans-149.7153.8-175.161.8-90.2000112.2A197 L227 E228 A234 L235 V257 K263A197-F232 HydrophobicContact CB-CB 3.62Å; A197-F232 HydrophobicContact CB-CD1 3.74Å; A197-F232 HydrophobicContact CB-CD2 4.26Å; A197-F232 HydrophobicContact CB-CE1 4.49Å; A197-F232 HydrophobicContact CB-CG 3.6Å; L227-F232 HydrophobicContact CB-CE1 4.29Å; L227-F232 HydrophobicContact CD2-CE1 4.3Å; E228-F232 WeakPolarHBondContact O-CE1 3.48Å; F232-A234 VanDerWaalsContact CD2-C 3.49Å; F232-A234 VanDerWaalsContact CD2-O 3.29Å; F232-A234 WeakPolarHBondContact CD2-O 3.3Å; F232-L235 HydrophobicContact CD2-CB 4.41Å; F232-L235 HydrophobicContact CE2-CB 3.88Å; F232-V257 HydrophobicContact CZ-CG2 4.3Å; F232-K263 HydrophobicContact CD2-CD 4Å; F232-K263 HydrophobicContact CE2-CD 3.68Å; F232-K263 HydrophobicContact CZ-CD 4.48Å; F232-K263 WeakPolarHBondContact O-CE 3.45Å; F232-K263 PolarHBondContact O-NZ 2.93Å
233D91.5Very high88.1Confident54 Ų5438.6 Ų38.629%0.28919%0.192SC..SBendtrans-93.8-26.7177.5-53.5-49.2000111.7R195 I374R195-D233 VanDerWaalsContact CB-OD2 3.28Å; R195-D233 WeakPolarHBondContact CB-OD2 3.46Å; R195-D233 IonicContact CZ-OD1 3.61Å; R195-D233 IonicContact CZ-OD2 3.77Å; R195-D233 PolarHBondContact N-OD2 3.21Å; R195-D233 IonicContact NE-OD1 3.01Å; R195-D233 IonicContact NE-OD2 3.02Å; R195-D233 PolarHBondContact NE-OD2 3.23Å; R195-D233 VanDerWaalsContact NE-OD2 3.15Å; R195-D233 IonicContact NH2-OD1 3.63Å; R195-D233 PolarHBondContact NH2-OD1 2.84Å; R195-D233 IonicContact NH2-OD2 3.48Å; R195-D233 PolarHBondContact O-N 3.49Å; D233-I374 HydrophobicContact CB-CG2 4.32Å
234A93.7Very high88.2Confident0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-145.2152.517400000112.1R195 I196 A197 F232 P264 F370 I374R195-A234 PolarHBondContact O-N 3.36Å; I196-A234 WeakPolarHBondContact CA-O 3.44Å; A197-A234 PolarHBondContact N-O 3.45Å; F232-A234 VanDerWaalsContact CD2-C 3.49Å; F232-A234 VanDerWaalsContact CD2-O 3.29Å; F232-A234 WeakPolarHBondContact CD2-O 3.3Å; A234-P264 HydrophobicContact CB-CB 4.12Å; A234-P264 HydrophobicContact CB-CG 4.49Å; A234-F370 HydrophobicContact CB-CE1 4.4Å; A234-F370 HydrophobicContact CB-CE2 4.01Å; A234-F370 HydrophobicContact CB-CZ 3.61Å; A234-I374 HydrophobicContact CB-CD1 3.62Å; A234-I374 HydrophobicContact CB-CG1 3.87Å
235L95Very high88.4Confident0 Ų038.6 Ų38.60%019%0.185CC..EExtended strand (participates in β ladder)trans-108.4134.5178.6179.266.7000110.1A197 L199 L227 F232 L237 V257 P264 V265 F266 F370A197-L235 HydrophobicContact CB-CD1 4.33Å; L199-L235 HydrophobicContact CG-CD1 4.32Å; L227-L235 HydrophobicContact CD1-CD1 3.75Å; L227-L235 HydrophobicContact CD1-CD2 3.63Å; L227-L235 HydrophobicContact CD1-CG 4.36Å; L227-L235 HydrophobicContact CD2-CD1 3.88Å; F232-L235 HydrophobicContact CD2-CB 4.41Å; F232-L235 HydrophobicContact CE2-CB 3.88Å; L235-L237 HydrophobicContact CD1-CD2 4.37Å; L235-L237 HydrophobicContact CD2-CD2 3.98Å; L235-L237 HydrophobicContact CG-CD2 4Å; L235-V257 HydrophobicContact CD2-CB 4.21Å; L235-V257 HydrophobicContact CD2-CG1 4.04Å; L235-V257 HydrophobicContact CD2-CG2 4.2Å; L235-P264 PolarHBondContact N-O 3.28Å; L235-V265 HydrophobicContact CB-CG2 4.31Å; L235-V265 HydrophobicContact CD2-CG1 4.41Å; L235-V265 HydrophobicContact CD2-CG2 4.46Å; L235-V265 VanDerWaalsContact O-CA 3.3Å; L235-V265 WeakPolarHBondContact O-CA 3.4Å; L235-F266 PolarHBondContact O-N 2.99Å; L235-F266 VanDerWaalsContact O-N 3.12Å; L235-F370 WeakPolarHBondContact O-CZ 3.42Å
236F96.8Very high88.4Confident0 Ų039.5 Ų39.50%019%0.191CC..EExtended strand (participates in β ladder)trans-124.8130.6176.5-173.7-79.7000109.6I196 A197 I198 L199 Q207 L211 F266 I268 F367 F370I196-F236 HydrophobicContact CG2-CB 3.97Å; A197-F236 PolarHBondContact O-N 3.46Å; I198-F236 WeakPolarHBondContact CA-O 3.35Å; I198-F236 HydrophobicContact CD1-CD1 4.36Å; I198-F236 HydrophobicContact CG1-CB 4Å; I198-F236 HydrophobicContact CG1-CD1 4.05Å; I198-F236 HydrophobicContact CG1-CG 4.31Å; I198-F236 HydrophobicContact CG2-CD1 3.97Å; L199-F236 PolarHBondContact N-O 3.26Å; L199-F236 VanDerWaalsContact N-O 3.07Å; Q207-F236 HydrophobicContact CB-CE1 4.07Å; Q207-F236 HydrophobicContact CB-CZ 4.13Å; Q207-F236 HydrophobicContact CG-CE1 4.34Å; Q207-F236 HydrophobicContact CG-CZ 4.34Å; L211-F236 HydrophobicContact CD1-CD2 4.14Å; L211-F236 HydrophobicContact CD1-CE2 4.31Å; L211-F236 HydrophobicContact CD1-CG 4.29Å; F236-F266 CarbonylContact C-O 3.54Å; F236-F266 WeakPolarHBondContact CA-O 3.29Å; F236-F266 HydrophobicContact CD2-CB 4.1Å; F236-F266 AromaticContact CD2-CD1 3.8Å; F236-F266 HydrophobicContact CD2-CD1 3.8Å; F236-F266 HydrophobicContact CD2-CG 4.27Å; F236-F266 HydrophobicContact CE2-CB 4.48Å; F236-F266 AromaticContact CE2-CD1 3.38Å; F236-F266 HydrophobicContact CE2-CD1 3.38Å; F236-F266 AromaticContact CE2-CE1 3.84Å; F236-F266 HydrophobicContact CE2-CE1 3.84Å; F236-F266 HydrophobicContact CE2-CG 4.15Å; F236-F266 HydrophobicContact CZ-CD1 4.41Å; F236-I268 HydrophobicContact CE1-CD1 4.35Å; F236-I268 HydrophobicContact CE2-CD1 4.11Å; F236-I268 HydrophobicContact CZ-CD1 3.47Å; F236-I268 VanDerWaalsContact CZ-CD1 3.47Å; F236-I268 HydrophobicContact CZ-CG1 4.09Å; F236-F367 HydrophobicContact CE2-CD1 4.29Å; F236-F367 AromaticContact CE2-CE1 3.58Å; F236-F367 HydrophobicContact CE2-CE1 3.58Å; F236-F367 HydrophobicContact CE2-CZ 4.21Å; F236-F367 AromaticContact CZ-CE1 3.7Å; F236-F367 HydrophobicContact CZ-CE1 3.7Å; F236-F367 HydrophobicContact CZ-CZ 4.01Å; F236-F370 HydrophobicContact CB-CE1 4.26Å; F236-F370 HydrophobicContact CB-CZ 4.25Å; F236-F370 HydrophobicContact CD2-CD1 4.18Å; F236-F370 AromaticContact CD2-CE1 3.79Å; F236-F370 HydrophobicContact CD2-CE1 3.79Å; F236-F370 HydrophobicContact CD2-CZ 4.3Å
237L96.5Very high88.6Confident1 Ų131 Ų311%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-106.3110.9-178.3-49.9176.3000108.1L199 L235 V254 V265 F266 G267 I268 L275L199-L237 HydrophobicContact CB-CD2 4.43Å; L199-L237 HydrophobicContact CD1-CD2 3.89Å; L199-L237 HydrophobicContact CG-CD2 4.44Å; L235-L237 HydrophobicContact CD1-CD2 4.37Å; L235-L237 HydrophobicContact CD2-CD2 3.98Å; L235-L237 HydrophobicContact CG-CD2 4Å; L237-V254 HydrophobicContact CD1-CG1 3.94Å; L237-V254 HydrophobicContact CD1-CG2 3.93Å; L237-V254 HydrophobicContact CD2-CG2 3.66Å; L237-V254 HydrophobicContact CG-CG2 4.47Å; L237-V265 HydrophobicContact CD1-CG1 4.16Å; L237-V265 HydrophobicContact CG-CG1 4.36Å; L237-F266 PolarHBondContact N-O 2.95Å; L237-G267 WeakPolarHBondContact O-CA 3.22Å; L237-I268 PolarHBondContact O-N 3.27Å; L237-L275 HydrophobicContact CD1-CB 4.14Å
238S96.1Very high88.7Confident0 Ų034.7 Ų34.70%018%0.179CC..  trans-68.8170.1-175.178.60000112.6L199 C201 Q207 I268 G271L199-S238 WeakPolarHBondContact O-CB 3.35Å; L199-S238 PolarHBondContact O-N 3.15Å; L199-S238 PolarHBondContact O-OG 2.48Å; L199-S238 VanDerWaalsContact O-OG 3.05Å; C201-S238 PolarHBondContact N-OG 2.8Å; Q207-S238 VanDerWaalsContact OE1-CB 3.26Å; S238-I268 CarbonylContact C-O 3.4Å; S238-G271 WeakPolarHBondContact O-CA 3.26Å; S238-G271 PolarHBondContact O-N 3.48Å
239N94.9Very high89.2Confident0 Ų036.3 Ų36.30%019%0.186CC..  trans-67.7173.6162.469.3-63.8000111.3S55 C201 G202 L203 K204 Q207 I268 C269S55-N239 PolarHBondContact OG-ND2 3.36Å; C201-N239 CarbonylContact C-O 3.54Å; G202-N239 CarbonylContact C-O 3.28Å; G202-N239 VanDerWaalsContact C-O 3.28Å; G202-N239 PolarHBondContact O-ND2 2.95Å; L203-N239 WeakPolarHBondContact CA-OD1 3.31Å; K204-N239 PolarHBondContact N-OD1 3.13Å; Q207-N239 PolarHBondContact NE2-OD1 3.11Å; Q207-N239 PolarHBondContact OE1-OD1 3.42Å; N239-I268 VanDerWaalsContact CA-O 3.3Å; N239-I268 WeakPolarHBondContact CA-O 3.49Å; N239-I268 PolarHBondContact N-O 3.33Å; N239-C269 HydrophobicContact CB-CB 3.78Å
240G93.4Very high90.2Very high6 Ų633.2 Ų33.26%0.06217%0.17CC..  trans178.8162.2174.600000113.4C201C201-G240 WeakPolarHBondContact O-CA 3.3Å
241P93.6Very high91.3Very high4 Ų425.1 Ų25.13%0.02613%0.132CC..  trans-83.3164.5176.633.7-36.2000113R54 L174 C201R54-P241 WeakPolarHBondContact O-CB 3.3Å; R54-P241 VanDerWaalsContact O-CG 3.32Å; R54-P241 WeakPolarHBondContact O-CG 3.49Å; L174-P241 HydrophobicContact CB-CB 4.01Å; L174-P241 HydrophobicContact CB-CG 3.66Å; L174-P241 HydrophobicContact CD1-CB 4.13Å; C201-P241 WeakPolarHBondContact O-CD 3.3Å
242G89.7Confident91.9Very high9 Ų927.5 Ų27.59%0.09314%0.143CC..SBendtrans90.7-174.4166.600000115.1Y314G242-Y314 WeakPolarHBondContact O-CE2 3.35Å
243N91.6Very high91.9Very high42 Ų4229.5 Ų29.523%0.22515%0.152CC..  trans-78.7124.3-176.1-173.8-12.4000111.4E245 S246 Y314N243-E245 PolarHBondContact O-N 3.21Å; N243-E245 VanDerWaalsContact O-N 3.12Å; N243-E245 WeakPolarHBondContact OD1-CB 3.43Å; N243-E245 WeakPolarHBondContact OD1-CG 3.47Å; N243-E245 PolarHBondContact OD1-N 2.96Å; N243-S246 WeakPolarHBondContact O-CB 3.45Å; N243-S246 PolarHBondContact O-N 2.98Å; N243-S246 PolarHBondContact O-OG 2.72Å; N243-Y314 HydrophobicContact CB-CE1 4.44Å; N243-Y314 HydrophobicContact CB-CE2 4.47Å; N243-Y314 WeakPolarHBondContact CB-OH 3.29Å
244P91.3Very high91.9Very high0 Ų026.9 Ų26.90%014%0.139CC..G310 helixtrans-54.6-29.3175.5-28.538.1000114.5S246 C247 L270 Q273 K277 T283 Y314P244-S246 PolarHBondContact O-N 3.01Å; P244-C247 WeakPolarHBondContact O-CB 3.42Å; P244-C247 PolarHBondContact O-N 2.95Å; P244-C247 VanDerWaalsContact O-N 3.07Å; P244-L270 HydrophobicContact CB-CD1 4.08Å; P244-L270 HydrophobicContact CG-CD1 3.85Å; P244-Q273 HydrophobicContact CB-CB 4.24Å; P244-Q273 HydrophobicContact CG-CB 3.97Å; P244-Q273 HydrophobicContact CG-CG 4.31Å; P244-K277 HydrophobicContact CB-CD 3.98Å; P244-T283 HydrophobicContact CB-CG2 4.41Å; P244-T283 HydrophobicContact CG-CG2 4.46Å; P244-Y314 HydrophobicContact CG-CG 4.28Å
245E88.4Confident91.9Very high86 Ų8631 Ų3140%0.40215%0.154SC..G310 helixtrans-61.6-25.1175.7-63.4-56.1143.900113.1N243 C247 K277N243-E245 PolarHBondContact O-N 3.21Å; N243-E245 VanDerWaalsContact O-N 3.12Å; N243-E245 WeakPolarHBondContact OD1-CB 3.43Å; N243-E245 WeakPolarHBondContact OD1-CG 3.47Å; N243-E245 PolarHBondContact OD1-N 2.96Å; E245-C247 PolarHBondContact O-N 3.19Å; E245-K277 IonicContact OE1-NZ 3.21Å; E245-K277 PolarHBondContact OE1-NZ 3.3Å; E245-K277 IonicContact OE2-NZ 3.63Å; E245-K277 PolarHBondContact OE2-NZ 2.89Å
246S87.5Confident91.6Very high38 Ų3834.8 Ų34.827%0.26617%0.171SC..G310 helixtrans-74.2-4.7177.270.70000113.5N173 N243 P244N173-S246 PolarHBondContact ND2-O 3.17Å; N243-S246 WeakPolarHBondContact O-CB 3.45Å; N243-S246 PolarHBondContact O-N 2.98Å; N243-S246 PolarHBondContact O-OG 2.72Å; P244-S246 PolarHBondContact O-N 3.01Å
247C90.3Very high91.3Very high1 Ų135 Ų351%0.00717%0.172CC..G310 helixtrans-112.420.8-169.7-64.80000115.3W223 P244 E245 Q249 I250 V251 L274W223-C247 HydrophobicContact CZ3-CB 4.45Å; P244-C247 WeakPolarHBondContact O-CB 3.42Å; P244-C247 PolarHBondContact O-N 2.95Å; P244-C247 VanDerWaalsContact O-N 3.07Å; E245-C247 PolarHBondContact O-N 3.19Å; C247-Q249 PolarHBondContact O-N 3.35Å; C247-I250 WeakPolarHBondContact O-CB 3.28Å; C247-I250 PolarHBondContact O-N 3.37Å; C247-V251 PolarHBondContact O-N 3.13Å; C247-L274 HydrophobicContact CB-CD2 3.53Å
248D87.7Confident91Very high83 Ų8336.1 Ų36.144%0.44418%0.177SC..Hα-helixtrans-52.1-33.5-177.9-90.9-5.5000115.1I250 V251 Q252D248-I250 PolarHBondContact O-N 3.29Å; D248-V251 PolarHBondContact O-N 3.45Å; D248-Q252 WeakPolarHBondContact O-CG 3.37Å; D248-Q252 PolarHBondContact O-N 3.28Å; D248-Q252 VanDerWaalsContact O-N 3.1Å
249Q88.9Confident90.6Very high124 Ų12443.1 Ų43.158%0.57921%0.21SC*.Hα-helixtrans-59.8-36.7176.9-67.7-175.9-4.200112.2C247C247-Q249 PolarHBondContact O-N 3.35Å
250I90.5Very high90.1Very high1 Ų146.7 Ų46.71%0.00523%0.227CC..Hα-helixtrans-74.9-44.4177.8-59.7-171.5000110.3L199 C201 W223 C247 D248 Q252 Q253 V254 L274L199-I250 HydrophobicContact CD1-CG2 3.81Å; C201-I250 VanDerWaalsContact SG-CD1 3.56Å; W223-I250 HydrophobicContact CB-CD1 3.7Å; W223-I250 HydrophobicContact CD2-CD1 3.93Å; W223-I250 HydrophobicContact CE3-CD1 3.27Å; W223-I250 HydrophobicContact CE3-CG1 3.81Å; W223-I250 HydrophobicContact CG-CD1 4.18Å; W223-I250 HydrophobicContact CZ3-CD1 4.02Å; W223-I250 HydrophobicContact CZ3-CG1 4.1Å; W223-I250 WeakPolarHBondContact O-CD1 3.49Å; W223-I250 WeakPolarHBondContact O-CG1 3.45Å; C247-I250 WeakPolarHBondContact O-CB 3.28Å; C247-I250 PolarHBondContact O-N 3.37Å; D248-I250 PolarHBondContact O-N 3.29Å; I250-Q252 PolarHBondContact O-N 3.48Å; I250-Q252 VanDerWaalsContact O-N 3.16Å; I250-Q253 WeakPolarHBondContact O-CA 3.4Å; I250-Q253 WeakPolarHBondContact O-CB 3.31Å; I250-Q253 PolarHBondContact O-N 3.24Å; I250-V254 HydrophobicContact CG2-CG2 3.97Å; I250-V254 WeakPolarHBondContact O-CG2 3.39Å; I250-V254 PolarHBondContact O-N 3.5Å; I250-L274 HydrophobicContact CG2-CD1 3.98Å
251V91.3Very high89.3Confident3 Ų347 Ų472%0.01823%0.231CC..Hα-helixtrans-52.9-39.3178.3177.70000110.7C247 D248 R255 L274 K277 A278C247-V251 PolarHBondContact O-N 3.13Å; D248-V251 PolarHBondContact O-N 3.45Å; V251-R255 VanDerWaalsContact O-CB 3.26Å; V251-R255 WeakPolarHBondContact O-CB 3.23Å; V251-R255 PolarHBondContact O-N 2.89Å; V251-L274 HydrophobicContact CG2-CD2 3.7Å; V251-K277 HydrophobicContact CG1-CB 3.95Å; V251-K277 HydrophobicContact CG2-CB 3.97Å; V251-K277 HydrophobicContact CG2-CD 4.49Å; V251-A278 HydrophobicContact CG1-CB 4.17Å
252Q91.3Very high88.7Confident120 Ų12053.6 Ų53.656%0.56126%0.261SS*.Hα-helixtrans-66.2-38.8175-68.6176.48.200113.7D248 I250 K256D248-Q252 WeakPolarHBondContact O-CG 3.37Å; D248-Q252 PolarHBondContact O-N 3.28Å; D248-Q252 VanDerWaalsContact O-N 3.1Å; I250-Q252 PolarHBondContact O-N 3.48Å; I250-Q252 VanDerWaalsContact O-N 3.16Å; Q252-K256 PolarHBondContact O-N 3.06Å; Q252-K256 VanDerWaalsContact O-N 3.16Å
253Q90.3Very high88.7Confident47 Ų4754.4 Ų54.422%0.2226%0.262CS..Hα-helixtrans-68.7-43.1175.8-66-59.5-5600111.5L227 I250 R255 K256 V257L227-Q253 HydrophobicContact CD1-CB 4.15Å; L227-Q253 HydrophobicContact CG-CB 4.32Å; L227-Q253 VanDerWaalsContact N-OE1 3.14Å; I250-Q253 WeakPolarHBondContact O-CA 3.4Å; I250-Q253 WeakPolarHBondContact O-CB 3.31Å; I250-Q253 PolarHBondContact O-N 3.24Å; Q253-R255 VanDerWaalsContact C-N 3.35Å; Q253-K256 WeakPolarHBondContact O-CB 3.11Å; Q253-K256 PolarHBondContact O-N 3.08Å; Q253-V257 PolarHBondContact O-N 2.93Å
254V91.4Very high88.8Confident0 Ų052.7 Ų52.70%025%0.253CS..Hα-helixtrans-62.8-44.2176.2177.60000110.2L199 L237 I250 K256 V257 I258 L275 A278L199-V254 HydrophobicContact CD1-CG2 4.44Å; L237-V254 HydrophobicContact CD1-CG1 3.94Å; L237-V254 HydrophobicContact CD1-CG2 3.93Å; L237-V254 HydrophobicContact CD2-CG2 3.66Å; L237-V254 HydrophobicContact CG-CG2 4.47Å; I250-V254 HydrophobicContact CG2-CG2 3.97Å; I250-V254 WeakPolarHBondContact O-CG2 3.39Å; I250-V254 PolarHBondContact O-N 3.5Å; V254-K256 VanDerWaalsContact C-N 3.28Å; V254-K256 PolarHBondContact O-N 3.18Å; V254-V257 PolarHBondContact O-N 3.02Å; V254-V257 VanDerWaalsContact O-N 3.08Å; V254-I258 HydrophobicContact CG1-CG2 4.41Å; V254-I258 WeakPolarHBondContact O-CG1 2.99Å; V254-I258 PolarHBondContact O-N 3.28Å; V254-L275 HydrophobicContact CG1-CD1 4.04Å; V254-A278 HydrophobicContact CB-CB 4.07Å; V254-A278 HydrophobicContact CG1-CB 3.75Å
255R92.5Very high89Confident87 Ų8752.7 Ų52.733%0.32825%0.253SS..Hα-helixtrans-54.4-44.2175.8-172.8173.4-62.4122.51.2112V251 Q253 V257 I258 E259 K277 A278V251-R255 VanDerWaalsContact O-CB 3.26Å; V251-R255 WeakPolarHBondContact O-CB 3.23Å; V251-R255 PolarHBondContact O-N 2.89Å; Q253-R255 VanDerWaalsContact C-N 3.35Å; R255-V257 PolarHBondContact O-N 3.37Å; R255-I258 WeakPolarHBondContact O-CG1 3.31Å; R255-I258 PolarHBondContact O-N 2.91Å; R255-E259 HydrophobicContact CG-CG 4.39Å; R255-E259 WeakPolarHBondContact CG-OE1 3.34Å; R255-E259 WeakPolarHBondContact O-CB 3.41Å; R255-E259 VanDerWaalsContact O-CG 3.28Å; R255-E259 WeakPolarHBondContact O-CG 3.26Å; R255-E259 PolarHBondContact O-N 2.94Å; R255-K277 PolarHBondContact NH2-O 3.17Å; R255-K277 VanDerWaalsContact NH2-O 3.13Å; R255-A278 HydrophobicContact CB-CB 4.32Å; R255-A278 PolarHBondContact NE-O 2.76Å
256K90Very high89.5Confident79 Ų7948.6 Ų48.634%0.34323%0.234SC..Hα-helixtrans-60.3-44.1176.8-171.9-170.1169.2-149.50112.3Q252 Q253 V254 E259 E260Q252-K256 PolarHBondContact O-N 3.06Å; Q252-K256 VanDerWaalsContact O-N 3.16Å; Q253-K256 WeakPolarHBondContact O-CB 3.11Å; Q253-K256 PolarHBondContact O-N 3.08Å; V254-K256 VanDerWaalsContact C-N 3.28Å; V254-K256 PolarHBondContact O-N 3.18Å; K256-E259 PolarHBondContact O-N 3.2Å; K256-E260 WeakPolarHBondContact CE-OE1 3.28Å; K256-E260 IonicContact NZ-OE1 3.9Å; K256-E260 WeakPolarHBondContact O-CG 3.37Å; K256-E260 PolarHBondContact O-N 3.42Å
257V89.7Confident89.9Confident5 Ų546.8 Ų46.83%0.0322%0.221CC..Hα-helixtrans-67.3-40.5179.5175.50000111.9L227 F232 L235 Q253 V254 R255 E260 G261 V265L227-V257 HydrophobicContact CB-CG2 4.14Å; L227-V257 HydrophobicContact CD1-CG2 3.71Å; F232-V257 HydrophobicContact CZ-CG2 4.3Å; L235-V257 HydrophobicContact CD2-CB 4.21Å; L235-V257 HydrophobicContact CD2-CG1 4.04Å; L235-V257 HydrophobicContact CD2-CG2 4.2Å; Q253-V257 PolarHBondContact O-N 2.93Å; V254-V257 PolarHBondContact O-N 3.02Å; V254-V257 VanDerWaalsContact O-N 3.08Å; R255-V257 PolarHBondContact O-N 3.37Å; V257-E260 PolarHBondContact O-N 3.43Å; V257-G261 PolarHBondContact O-N 3.08Å; V257-V265 HydrophobicContact CG1-CG2 4.2Å
258I90.8Very high90.3Very high23 Ų2346.8 Ų46.812%0.11822%0.221CC..Hα-helixtrans-70.6-33.5178.962.2174.5000112.4V254 R255 E260 G261 V265 L275 A278 I279 Y347V254-I258 HydrophobicContact CG1-CG2 4.41Å; V254-I258 WeakPolarHBondContact O-CG1 2.99Å; V254-I258 PolarHBondContact O-N 3.28Å; R255-I258 WeakPolarHBondContact O-CG1 3.31Å; R255-I258 PolarHBondContact O-N 2.91Å; I258-E260 VanDerWaalsContact C-N 3.34Å; I258-G261 PolarHBondContact O-N 3.37Å; I258-V265 HydrophobicContact CG2-CG2 4.3Å; I258-L275 HydrophobicContact CG2-CD1 3.96Å; I258-A278 HydrophobicContact CD1-CB 3.94Å; I258-I279 HydrophobicContact CD1-CG2 3.6Å; I258-Y347 HydrophobicContact CB-CE2 4.05Å; I258-Y347 HydrophobicContact CG2-CD2 4.45Å; I258-Y347 HydrophobicContact CG2-CE1 4.49Å; I258-Y347 HydrophobicContact CG2-CE2 4.29Å; I258-Y347 PolarHBondContact O-OH 3.03Å
259E87.8Confident90.6Very high147 Ų14743 Ų4369%0.68720%0.201SC*.Hα-helixtrans-63.8-35.8173.3-78.4172.9-179.200112.1R255 K256 G261R255-E259 HydrophobicContact CG-CG 4.39Å; R255-E259 WeakPolarHBondContact CG-OE1 3.34Å; R255-E259 WeakPolarHBondContact O-CB 3.41Å; R255-E259 VanDerWaalsContact O-CG 3.28Å; R255-E259 WeakPolarHBondContact O-CG 3.26Å; R255-E259 PolarHBondContact O-N 2.94Å; K256-E259 PolarHBondContact O-N 3.2Å; E259-G261 VanDerWaalsContact C-N 3.28Å; E259-G261 PolarHBondContact O-N 3.49Å
260E83.7Confident91Very high76 Ų7637.1 Ų37.136%0.35517%0.173SC..Hα-helixtrans-66-28.8175.6-73.6168.3-175.200112.3K256 V257 I258 Q262K256-E260 WeakPolarHBondContact CE-OE1 3.28Å; K256-E260 IonicContact NZ-OE1 3.9Å; K256-E260 WeakPolarHBondContact O-CG 3.37Å; K256-E260 PolarHBondContact O-N 3.42Å; V257-E260 PolarHBondContact O-N 3.43Å; I258-E260 VanDerWaalsContact C-N 3.34Å; E260-Q262 PolarHBondContact O-N 2.82Å
261G77.2Confident91.2Very high13 Ų1337 Ų3713%0.13417%0.173CC..  trans84.82.3160.200000117.1V257 I258 E259 K345 Y347V257-G261 PolarHBondContact O-N 3.08Å; I258-G261 PolarHBondContact O-N 3.37Å; E259-G261 VanDerWaalsContact C-N 3.28Å; E259-G261 PolarHBondContact O-N 3.49Å; G261-K345 PolarHBondContact O-NZ 3.38Å; G261-Y347 WeakPolarHBondContact CA-OH 3.34Å; G261-Y347 PolarHBondContact N-OH 3.21Å
262Q80.6Confident91.5Very high142 Ų14236.9 Ų36.966%0.66417%0.172SC*.  trans-112.2-27.1-163.1-66.4-173.118.900116.6E260E260-Q262 PolarHBondContact O-N 2.82Å
263K89.8Confident91.7Very high26 Ų2631.4 Ų31.411%0.11315%0.147CC..SBendtrans-114.5142.3-167.4-70.3-178.7177.9173.10113D229 F232 Y347D229-K263 PolarHBondContact O-NZ 3.35Å; D229-K263 WeakPolarHBondContact OD1-CE 3.22Å; D229-K263 IonicContact OD1-NZ 3.31Å; D229-K263 PolarHBondContact OD1-NZ 3.04Å; F232-K263 HydrophobicContact CD2-CD 4Å; F232-K263 HydrophobicContact CE2-CD 3.68Å; F232-K263 HydrophobicContact CZ-CD 4.48Å; F232-K263 WeakPolarHBondContact O-CE 3.45Å; F232-K263 PolarHBondContact O-NZ 2.93Å; K263-Y347 VanDerWaalsContact O-CE1 3.23Å; K263-Y347 WeakPolarHBondContact O-CE1 3.3Å
264P94.1Very high92Very high6 Ų629.2 Ų29.24%0.03914%0.136CC..  trans-58.7139.5175.9-26.236.7000113.5A234 L235 P346 F370 S373 I374A234-P264 HydrophobicContact CB-CB 4.12Å; A234-P264 HydrophobicContact CB-CG 4.49Å; L235-P264 PolarHBondContact N-O 3.28Å; P264-P346 CarbonylContact C-O 3.38Å; P264-P346 VanDerWaalsContact CA-O 3.23Å; P264-P346 WeakPolarHBondContact CA-O 3.09Å; P264-P346 HydrophobicContact CB-CB 4.04Å; P264-P346 HydrophobicContact CB-CG 4.42Å; P264-P346 HydrophobicContact CG-CB 3.94Å; P264-P346 HydrophobicContact CG-CG 4.15Å; P264-F370 HydrophobicContact CB-CD2 4.2Å; P264-F370 HydrophobicContact CB-CE2 3.83Å; P264-S373 VanDerWaalsContact CB-OG 3.3Å; P264-S373 WeakPolarHBondContact CB-OG 3.32Å; P264-S373 WeakPolarHBondContact CG-OG 3.43Å; P264-I374 HydrophobicContact CB-CG1 4.4Å; P264-I374 HydrophobicContact CG-CG1 3.95Å
265V96.1Very high92.2Very high0 Ų029.2 Ų29.20%014%0.136CC..EExtended strand (participates in β ladder)trans-128123.9174.8-175.30000109.2L235 L237 V257 I258 L275 P346 Y347 F348L235-V265 HydrophobicContact CB-CG2 4.31Å; L235-V265 HydrophobicContact CD2-CG1 4.41Å; L235-V265 HydrophobicContact CD2-CG2 4.46Å; L235-V265 VanDerWaalsContact O-CA 3.3Å; L235-V265 WeakPolarHBondContact O-CA 3.4Å; L237-V265 HydrophobicContact CD1-CG1 4.16Å; L237-V265 HydrophobicContact CG-CG1 4.36Å; V257-V265 HydrophobicContact CG1-CG2 4.2Å; I258-V265 HydrophobicContact CG2-CG2 4.3Å; V265-L275 HydrophobicContact CG1-CD1 4.27Å; V265-P346 PolarHBondContact N-O 3.19Å; V265-Y347 HydrophobicContact CB-CD1 3.87Å; V265-Y347 HydrophobicContact CG2-CD1 3.73Å; V265-Y347 HydrophobicContact CG2-CE1 3.9Å; V265-F348 PolarHBondContact O-N 2.79Å; V265-F348 VanDerWaalsContact O-N 3.07Å
266F97.6Very high92.4Very high0 Ų025 Ų250%012%0.121CC..EExtended strand (participates in β ladder)trans-124.9123.8173.3-178-153.5000111L235 F236 L237 I268 F348 V350 P354 L366 F367 F370L235-F266 PolarHBondContact O-N 2.99Å; L235-F266 VanDerWaalsContact O-N 3.12Å; F236-F266 CarbonylContact C-O 3.54Å; F236-F266 WeakPolarHBondContact CA-O 3.29Å; F236-F266 HydrophobicContact CD2-CB 4.1Å; F236-F266 AromaticContact CD2-CD1 3.8Å; F236-F266 HydrophobicContact CD2-CD1 3.8Å; F236-F266 HydrophobicContact CD2-CG 4.27Å; F236-F266 HydrophobicContact CE2-CB 4.48Å; F236-F266 AromaticContact CE2-CD1 3.38Å; F236-F266 HydrophobicContact CE2-CD1 3.38Å; F236-F266 AromaticContact CE2-CE1 3.84Å; F236-F266 HydrophobicContact CE2-CE1 3.84Å; F236-F266 HydrophobicContact CE2-CG 4.15Å; F236-F266 HydrophobicContact CZ-CD1 4.41Å; L237-F266 PolarHBondContact N-O 2.95Å; F266-I268 HydrophobicContact CE1-CD1 3.95Å; F266-I268 HydrophobicContact CE1-CG1 4.22Å; F266-I268 HydrophobicContact CE2-CG1 4.06Å; F266-I268 HydrophobicContact CZ-CD1 3.89Å; F266-I268 HydrophobicContact CZ-CG1 3.83Å; F266-F348 VanDerWaalsContact CA-O 3.32Å; F266-F348 WeakPolarHBondContact CA-O 3.43Å; F266-F348 HydrophobicContact CB-CD1 4.41Å; F266-F348 HydrophobicContact CB-CE1 3.84Å; F266-F348 HydrophobicContact CB-CZ 4.07Å; F266-F348 HydrophobicContact CD1-CE1 4.47Å; F266-F348 HydrophobicContact CD1-CE2 4.41Å; F266-F348 AromaticContact CD1-CZ 3.87Å; F266-F348 HydrophobicContact CD1-CZ 3.87Å; F266-F348 HydrophobicContact CD2-CD1 4.21Å; F266-F348 AromaticContact CD2-CD2 3.74Å; F266-F348 HydrophobicContact CD2-CD2 3.74Å; F266-F348 AromaticContact CD2-CE1 3.85Å; F266-F348 HydrophobicContact CD2-CE1 3.85Å; F266-F348 AromaticContact CD2-CE2 3.34Å; F266-F348 HydrophobicContact CD2-CE2 3.34Å; F266-F348 HydrophobicContact CD2-CG 4.16Å; F266-F348 AromaticContact CD2-CZ 3.4Å; F266-F348 HydrophobicContact CD2-CZ 3.4Å; F266-F348 HydrophobicContact CE1-CE2 4.35Å; F266-F348 HydrophobicContact CE1-CZ 4.15Å; F266-F348 AromaticContact CE2-CD2 3.8Å; F266-F348 HydrophobicContact CE2-CD2 3.8Å; F266-F348 AromaticContact CE2-CE2 3.25Å; F266-F348 HydrophobicContact CE2-CE2 3.25Å; F266-F348 AromaticContact CE2-CZ 3.7Å; F266-F348 HydrophobicContact CE2-CZ 3.7Å; F266-F348 AromaticContact CG-CE1 3.82Å; F266-F348 HydrophobicContact CG-CE1 3.82Å; F266-F348 AromaticContact CG-CE2 3.98Å; F266-F348 HydrophobicContact CG-CE2 3.98Å; F266-F348 AromaticContact CG-CZ 3.52Å; F266-F348 HydrophobicContact CG-CZ 3.52Å; F266-F348 AromaticContact CZ-CE2 3.81Å; F266-F348 HydrophobicContact CZ-CE2 3.81Å; F266-F348 HydrophobicContact CZ-CZ 4.07Å; F266-V350 HydrophobicContact CE2-CG2 3.88Å; F266-V350 HydrophobicContact CZ-CG2 4.12Å; F266-P354 HydrophobicContact CZ-CG 4.24Å; F266-L366 HydrophobicContact CE1-CB 4.49Å; F266-L366 HydrophobicContact CZ-CB 4.08Å; F266-F367 HydrophobicContact CE1-CE1 4.47Å; F266-F367 HydrophobicContact CE1-CZ 4.5Å; F266-F370 HydrophobicContact CB-CB 4.4Å; F266-F370 HydrophobicContact CB-CD1 4.35Å; F266-F370 HydrophobicContact CB-CD2 3.42Å; F266-F370 VanDerWaalsContact CB-CD2 3.42Å; F266-F370 HydrophobicContact CB-CE1 4.48Å; F266-F370 HydrophobicContact CB-CE2 3.58Å; F266-F370 HydrophobicContact CB-CG 3.82Å; F266-F370 HydrophobicContact CB-CZ 4.12Å; F266-F370 HydrophobicContact CD1-CB 3.94Å; F266-F370 HydrophobicContact CD1-CD1 4.3Å; F266-F370 HydrophobicContact CD1-CD2 4.46Å; F266-F370 HydrophobicContact CD1-CG 4Å; F266-F370 HydrophobicContact CG-CB 4.47Å; F266-F370 HydrophobicContact CG-CD2 4.34Å; F266-F370 HydrophobicContact CG-CG 4.33Å
267G97.3Very high92.6Very high0 Ų022.4 Ų22.40%011%0.109CC..EExtended strand (participates in β ladder)trans-118.1142.8178.200000113.8L237 F348 S349 V350L237-G267 WeakPolarHBondContact O-CA 3.22Å; G267-F348 PolarHBondContact N-O 2.94Å; G267-S349 CarbonylContact O-C 3.48Å; G267-S349 WeakPolarHBondContact O-CA 3.09Å; G267-S349 WeakPolarHBondContact O-CB 3.41Å; G267-V350 PolarHBondContact O-N 3.14Å
268I97.1Very high92.8Very high0 Ų022.4 Ų22.40%011%0.109CC..EExtended strand (participates in β ladder)trans-126.3132.2-179.2-60.4-176.7000110.9F236 L237 S238 N239 F266 L270 G271 V350 F352 P354 E355 F367F236-I268 HydrophobicContact CE1-CD1 4.35Å; F236-I268 HydrophobicContact CE2-CD1 4.11Å; F236-I268 HydrophobicContact CZ-CD1 3.47Å; F236-I268 VanDerWaalsContact CZ-CD1 3.47Å; F236-I268 HydrophobicContact CZ-CG1 4.09Å; L237-I268 PolarHBondContact O-N 3.27Å; S238-I268 CarbonylContact C-O 3.4Å; N239-I268 VanDerWaalsContact CA-O 3.3Å; N239-I268 WeakPolarHBondContact CA-O 3.49Å; N239-I268 PolarHBondContact N-O 3.33Å; F266-I268 HydrophobicContact CE1-CD1 3.95Å; F266-I268 HydrophobicContact CE1-CG1 4.22Å; F266-I268 HydrophobicContact CE2-CG1 4.06Å; F266-I268 HydrophobicContact CZ-CD1 3.89Å; F266-I268 HydrophobicContact CZ-CG1 3.83Å; I268-L270 PolarHBondContact O-N 3.32Å; I268-G271 WeakPolarHBondContact O-CA 3.48Å; I268-G271 PolarHBondContact O-N 3.23Å; I268-V350 CarbonylContact C-O 3.58Å; I268-V350 VanDerWaalsContact CA-O 3.31Å; I268-V350 WeakPolarHBondContact CA-O 3.18Å; I268-V350 HydrophobicContact CG1-CG2 4.29Å; I268-F352 WeakPolarHBondContact CG2-O 3.37Å; I268-P354 HydrophobicContact CD1-CG 4.36Å; I268-E355 WeakPolarHBondContact CD1-OE2 2.92Å; I268-E355 WeakPolarHBondContact CG2-OE2 3.45Å; I268-F367 HydrophobicContact CD1-CE2 4.34Å; I268-F367 HydrophobicContact CD1-CZ 3.79Å
269C95.6Very high92.9Very high4 Ų422.4 Ų22.43%0.02711%0.11CC..THydrogen-bonded Turntrans52.9-106.3179.2-177.40000112.5N239 G271 H272 Q273 V350 Q351N239-C269 HydrophobicContact CB-CB 3.78Å; C269-G271 PolarHBondContact O-N 2.86Å; C269-H272 WeakPolarHBondContact O-CB 3.39Å; C269-H272 PolarHBondContact O-N 2.92Å; C269-Q273 WeakPolarHBondContact O-CG 3.19Å; C269-Q273 PolarHBondContact O-N 2.97Å; C269-Q273 VanDerWaalsContact O-N 3.1Å; C269-V350 PolarHBondContact N-O 3.44Å; C269-Q351 WeakPolarHBondContact CA-O 3.46Å
270L95.9Very high93.2Very high0 Ų017.2 Ų17.20%010%0.096CC..Hα-helixtrans-60-36.9173.4-178.659.1000111A175 C201 P244 I268 H272 Q273 L274A175-L270 HydrophobicContact CB-CD2 4.18Å; C201-L270 HydrophobicContact CB-CD2 3.76Å; P244-L270 HydrophobicContact CB-CD1 4.08Å; P244-L270 HydrophobicContact CG-CD1 3.85Å; I268-L270 PolarHBondContact O-N 3.32Å; L270-H272 VanDerWaalsContact C-N 3.27Å; L270-H272 PolarHBondContact O-N 2.8Å; L270-Q273 HydrophobicContact CD1-CB 4.48Å; L270-Q273 WeakPolarHBondContact O-CB 3.35Å; L270-Q273 PolarHBondContact O-N 3.49Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; L270-L274 HydrophobicContact CD1-CG 4.22Å; L270-L274 HydrophobicContact CG-CD1 4.03Å; L270-L274 HydrophobicContact CG-CG 4.18Å; L270-L274 WeakPolarHBondContact O-CB 3.37Å; L270-L274 WeakPolarHBondContact O-CG 3.24Å; L270-L274 PolarHBondContact O-N 3.34Å
271G96Very high93.6Very high0 Ų013.9 Ų13.90%08%0.081CC..Hα-helixtrans-60.5-3417300000113.6S238 I268 C269 L275S238-G271 WeakPolarHBondContact O-CA 3.26Å; S238-G271 PolarHBondContact O-N 3.48Å; I268-G271 WeakPolarHBondContact O-CA 3.48Å; I268-G271 PolarHBondContact O-N 3.23Å; C269-G271 PolarHBondContact O-N 2.86Å; G271-L275 WeakPolarHBondContact O-CB 3.28Å; G271-L275 PolarHBondContact O-N 2.85Å
272H96.9Very high94.4Very high0 Ų015 Ų150%09%0.087CC..Hα-helixtrans-66.6-46172.2161.581.9000111.7C269 L270 L274 L275 A276 V316 N337 S349 V350 Q351C269-H272 WeakPolarHBondContact O-CB 3.39Å; C269-H272 PolarHBondContact O-N 2.92Å; L270-H272 VanDerWaalsContact C-N 3.27Å; L270-H272 PolarHBondContact O-N 2.8Å; H272-L274 VanDerWaalsContact C-N 3.33Å; H272-L274 PolarHBondContact O-N 3.39Å; H272-L275 PolarHBondContact O-N 2.79Å; H272-A276 WeakPolarHBondContact O-CB 3.44Å; H272-A276 PolarHBondContact O-N 3.21Å; H272-V316 WeakPolarHBondContact NE2-CG2 3.38Å; H272-N337 PolarHBondContact CE1-OD1 2.96Å; H272-N337 PolarHBondContact NE2-OD1 3.26Å; H272-S349 PolarHBondContact ND1-OG 3.24Å; H272-V350 WeakPolarHBondContact CB-O 3.29Å; H272-Q351 PolarHBondContact CD2-OE1 3.04Å; H272-Q351 VanDerWaalsContact CD2-OE1 3.26Å
273Q96Very high95Very high5 Ų59.2 Ų9.22%0.0236%0.06CC..Hα-helixtrans-62.2-39.4176.7-64.81603.400111.8P244 C269 L270 A276 K277 T283 Y314 V316 Q351P244-Q273 HydrophobicContact CB-CB 4.24Å; P244-Q273 HydrophobicContact CG-CB 3.97Å; P244-Q273 HydrophobicContact CG-CG 4.31Å; C269-Q273 WeakPolarHBondContact O-CG 3.19Å; C269-Q273 PolarHBondContact O-N 2.97Å; C269-Q273 VanDerWaalsContact O-N 3.1Å; L270-Q273 HydrophobicContact CD1-CB 4.48Å; L270-Q273 WeakPolarHBondContact O-CB 3.35Å; L270-Q273 PolarHBondContact O-N 3.49Å; L270-Q273 VanDerWaalsContact O-N 3.16Å; Q273-A276 PolarHBondContact O-N 3.49Å; Q273-K277 WeakPolarHBondContact O-CB 3.43Å; Q273-K277 WeakPolarHBondContact O-CG 3.5Å; Q273-K277 PolarHBondContact O-N 2.94Å; Q273-T283 HydrophobicContact CB-CG2 3.99Å; Q273-T283 HydrophobicContact CG-CG2 4.2Å; Q273-Y314 PolarHBondContact NE2-O 2.87Å; Q273-V316 HydrophobicContact CG-CG2 4.28Å; Q273-Q351 VanDerWaalsContact CG-OE1 3.29Å
274L95.5Very high95.2Very high0 Ų012.9 Ų12.90%08%0.075CC..Hα-helixtrans-67.9-40.7176.9-68172.1000112.1C247 I250 V251 L270 H272 K277 A278C247-L274 HydrophobicContact CB-CD2 3.53Å; I250-L274 HydrophobicContact CG2-CD1 3.98Å; V251-L274 HydrophobicContact CG2-CD2 3.7Å; L270-L274 HydrophobicContact CD1-CG 4.22Å; L270-L274 HydrophobicContact CG-CD1 4.03Å; L270-L274 HydrophobicContact CG-CG 4.18Å; L270-L274 WeakPolarHBondContact O-CB 3.37Å; L270-L274 WeakPolarHBondContact O-CG 3.24Å; L270-L274 PolarHBondContact O-N 3.34Å; H272-L274 VanDerWaalsContact C-N 3.33Å; H272-L274 PolarHBondContact O-N 3.39Å; L274-K277 PolarHBondContact O-N 3.01Å; L274-A278 WeakPolarHBondContact O-CB 3.31Å; L274-A278 PolarHBondContact O-N 2.85Å
275L95.9Very high95.2Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-64.5-44.7174.1-177.460000111.1L237 V254 I258 V265 G271 H272 K277 A278 I279 W325L237-L275 HydrophobicContact CD1-CB 4.14Å; V254-L275 HydrophobicContact CG1-CD1 4.04Å; I258-L275 HydrophobicContact CG2-CD1 3.96Å; V265-L275 HydrophobicContact CG1-CD1 4.27Å; G271-L275 WeakPolarHBondContact O-CB 3.28Å; G271-L275 PolarHBondContact O-N 2.85Å; H272-L275 PolarHBondContact O-N 2.79Å; L275-K277 PolarHBondContact O-N 3.43Å; L275-A278 WeakPolarHBondContact O-CB 3.43Å; L275-A278 PolarHBondContact O-N 3.32Å; L275-A278 VanDerWaalsContact O-N 3.1Å; L275-I279 PolarHBondContact O-N 2.89Å; L275-I279 VanDerWaalsContact O-N 3.12Å; L275-W325 HydrophobicContact CD1-CH2 4.26Å; L275-W325 HydrophobicContact CD2-CH2 4.08Å; L275-W325 HydrophobicContact CD2-CZ3 4.22Å; L275-W325 HydrophobicContact CG-CH2 4.22Å
276A95.8Very high95.1Very high0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-58.7-45.4176.100000111.9H272 Q273 A278 I279 G280 C281 V316 I340H272-A276 WeakPolarHBondContact O-CB 3.44Å; H272-A276 PolarHBondContact O-N 3.21Å; Q273-A276 PolarHBondContact O-N 3.49Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.8Å; A276-I279 WeakPolarHBondContact O-CG1 3.49Å; A276-I279 PolarHBondContact O-N 2.81Å; A276-G280 PolarHBondContact O-N 3Å; A276-G280 VanDerWaalsContact O-N 3.15Å; A276-C281 HydrophobicContact CB-CB 4.08Å; A276-C281 WeakPolarHBondContact O-CB 3.14Å; A276-C281 PolarHBondContact O-N 3.21Å; A276-V316 HydrophobicContact CB-CB 4.24Å; A276-V316 HydrophobicContact CB-CG1 3.63Å; A276-V316 HydrophobicContact CB-CG2 3.49Å; A276-V316 VanDerWaalsContact CB-CG2 3.49Å; A276-I340 HydrophobicContact CB-CD1 3.99Å
277K94.7Very high94.8Very high24 Ų2422.3 Ų22.310%0.10412%0.115CC..Hα-helixtrans-64.9-33.7173.4-75-179.868.475.30113P244 E245 V251 R255 Q273 L274 L275 I279 G280 C281 T283P244-K277 HydrophobicContact CB-CD 3.98Å; E245-K277 IonicContact OE1-NZ 3.21Å; E245-K277 PolarHBondContact OE1-NZ 3.3Å; E245-K277 IonicContact OE2-NZ 3.63Å; E245-K277 PolarHBondContact OE2-NZ 2.89Å; V251-K277 HydrophobicContact CG1-CB 3.95Å; V251-K277 HydrophobicContact CG2-CB 3.97Å; V251-K277 HydrophobicContact CG2-CD 4.49Å; R255-K277 PolarHBondContact NH2-O 3.17Å; R255-K277 VanDerWaalsContact NH2-O 3.13Å; Q273-K277 WeakPolarHBondContact O-CB 3.43Å; Q273-K277 WeakPolarHBondContact O-CG 3.5Å; Q273-K277 PolarHBondContact O-N 2.94Å; L274-K277 PolarHBondContact O-N 3.01Å; L275-K277 PolarHBondContact O-N 3.43Å; K277-I279 VanDerWaalsContact C-N 3.28Å; K277-I279 PolarHBondContact O-N 3.37Å; K277-G280 PolarHBondContact O-N 3.47Å; K277-C281 WeakPolarHBondContact CA-O 3.44Å; K277-T283 HydrophobicContact CD-CG2 4.4Å; K277-T283 HydrophobicContact CG-CG2 4.27Å
278A93.9Very high94.3Very high4 Ų424.8 Ų24.83%0.03313%0.125CC..Hα-helixtrans-65-35.5178.300000111.6V251 V254 R255 I258 L274 L275 A276V251-A278 HydrophobicContact CG1-CB 4.17Å; V254-A278 HydrophobicContact CB-CB 4.07Å; V254-A278 HydrophobicContact CG1-CB 3.75Å; R255-A278 HydrophobicContact CB-CB 4.32Å; R255-A278 PolarHBondContact NE-O 2.76Å; I258-A278 HydrophobicContact CD1-CB 3.94Å; L274-A278 WeakPolarHBondContact O-CB 3.31Å; L274-A278 PolarHBondContact O-N 2.85Å; L275-A278 WeakPolarHBondContact O-CB 3.43Å; L275-A278 PolarHBondContact O-N 3.32Å; L275-A278 VanDerWaalsContact O-N 3.1Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.8Å
279I94.3Very high94Very high24 Ų2424.9 Ų24.912%0.12313%0.126CC..Hα-helixtrans-86.1-9.3178.267.6169.6000113.8I258 L275 A276 K277 L321 P322 W325 I340I258-I279 HydrophobicContact CD1-CG2 3.6Å; L275-I279 PolarHBondContact O-N 2.89Å; L275-I279 VanDerWaalsContact O-N 3.12Å; A276-I279 WeakPolarHBondContact O-CG1 3.49Å; A276-I279 PolarHBondContact O-N 2.81Å; K277-I279 VanDerWaalsContact C-N 3.28Å; K277-I279 PolarHBondContact O-N 3.37Å; I279-L321 HydrophobicContact CD1-CD1 4.17Å; I279-P322 HydrophobicContact CB-CG 4.24Å; I279-P322 HydrophobicContact CD1-CG 4.44Å; I279-P322 HydrophobicContact CG1-CG 4.4Å; I279-P322 WeakPolarHBondContact O-CG 3.49Å; I279-W325 HydrophobicContact CB-CZ2 4.49Å; I279-W325 HydrophobicContact CD1-CD2 3.64Å; I279-W325 HydrophobicContact CD1-CE3 3.96Å; I279-W325 HydrophobicContact CD1-CG 3.93Å; I279-W325 HydrophobicContact CD1-CZ2 4.31Å; I279-W325 HydrophobicContact CD1-CZ3 4.38Å; I279-W325 HydrophobicContact CG2-CH2 4.02Å; I279-W325 HydrophobicContact CG2-CZ2 3.41Å; I279-W325 VanDerWaalsContact CG2-CZ2 3.41Å; I279-I340 HydrophobicContact CD1-CD1 3.83Å
280G92.1Very high93.8Very high38 Ų3825.3 Ų25.339%0.39213%0.128SC..THydrogen-bonded Turntrans111.35.7173.200000115.9A276 K277 Q320A276-G280 PolarHBondContact O-N 3Å; A276-G280 VanDerWaalsContact O-N 3.15Å; K277-G280 PolarHBondContact O-N 3.47Å; G280-Q320 PolarHBondContact O-OE1 2.75Å
281C93.9Very high93.6Very high6 Ų625.8 Ų25.84%0.04113%0.13CC..  trans-76.8155.3171.9-53.60000111.6A276 K277 V316A276-C281 HydrophobicContact CB-CB 4.08Å; A276-C281 WeakPolarHBondContact O-CB 3.14Å; A276-C281 PolarHBondContact O-N 3.21Å; K277-C281 WeakPolarHBondContact CA-O 3.44Å; C281-V316 HydrophobicContact CB-CG1 3.94Å
282S93.6Very high93.4Very high37 Ų3725.8 Ų25.826%0.25913%0.13SC..EExtended strand (participates in β ladder)trans-94.2164.8170.249.30000111.4D317S282-D317 PolarHBondContact O-N 3.01Å; S282-D317 WeakPolarHBondContact OG-CB 3.48Å
283T93.7Very high93Very high19 Ų1926.4 Ų26.412%0.11713%0.133CC..EExtended strand (participates in β ladder)trans-124.1147.1172.154.50000109.8P244 Q273 K277 A315 V316P244-T283 HydrophobicContact CB-CG2 4.41Å; P244-T283 HydrophobicContact CG-CG2 4.46Å; Q273-T283 HydrophobicContact CB-CG2 3.99Å; Q273-T283 HydrophobicContact CG-CG2 4.2Å; K277-T283 HydrophobicContact CD-CG2 4.4Å; K277-T283 HydrophobicContact CG-CG2 4.27Å; T283-A315 CarbonylContact C-O 3.55Å; T283-A315 VanDerWaalsContact CA-O 3.27Å; T283-A315 WeakPolarHBondContact CA-O 3.36Å; T283-V316 HydrophobicContact CG2-CG2 4.1Å
284Y94.2Very high92.7Very high104 Ų10426.5 Ų26.541%0.40813%0.134SC..EExtended strand (participates in β ladder)trans-126.4150.3175.765-85.4000111.1M286 Y314 A315 D317Y284-M286 HydrophobicContact CE2-CG 4.32Å; Y284-Y314 VanDerWaalsContact O-CA 3.23Å; Y284-Y314 WeakPolarHBondContact O-CA 3.26Å; Y284-A315 WeakPolarHBondContact CD1-O 3.26Å; Y284-A315 HydrophobicContact CE1-CB 3.82Å; Y284-A315 HydrophobicContact CE2-CB 4.14Å; Y284-A315 PolarHBondContact N-O 2.72Å; Y284-A315 PolarHBondContact O-N 3.37Å; Y284-D317 HydrophobicContact CD1-CB 4.23Å; Y284-D317 HydrophobicContact CE1-CB 4.49Å
285K93.5Very high92.5Very high71 Ų7128 Ų2831%0.30914%0.141SC..EExtended strand (participates in β ladder)trans-74.1125.6173.8-177.478.3-170.4-166.50108.7E37 G313 Y314E37-K285 WeakPolarHBondContact OE1-CE 3.33Å; E37-K285 IonicContact OE1-NZ 3.77Å; E37-K285 PolarHBondContact OE1-NZ 3.11Å; E37-K285 IonicContact OE2-NZ 2.72Å; K285-G313 VanDerWaalsContact CD-O 3.31Å; K285-G313 WeakPolarHBondContact CD-O 3.44Å; K285-Y314 HydrophobicContact CB-CD1 3.99Å; K285-Y314 HydrophobicContact CB-CE1 3.69Å; K285-Y314 HydrophobicContact CD-CD1 4.1Å; K285-Y314 HydrophobicContact CD-CD2 4.17Å; K285-Y314 HydrophobicContact CD-CE1 3.61Å; K285-Y314 HydrophobicContact CD-CE2 3.68Å; K285-Y314 HydrophobicContact CD-CG 4.35Å; K285-Y314 HydrophobicContact CG-CE1 4.23Å
286M93.6Very high92.4Very high16 Ų1628 Ų288%0.07914%0.141CC..EExtended strand (participates in β ladder)trans-73.6151.1172.3-61.3176.368.700110.1Y284 Y288 G313 A315 T336Y284-M286 HydrophobicContact CE2-CG 4.32Å; M286-Y288 PolarHBondContact O-N 3.29Å; M286-G313 PolarHBondContact N-O 2.72Å; M286-A315 HydrophobicContact CG-CB 3.98Å; M286-A315 HydrophobicContact SD-CB 3.99Å; M286-T336 HydrophobicContact CE-CG2 3.86Å
287K90.5Very high92.3Very high116 Ų11628 Ų2850%0.50414%0.141SC..EExtended strand (participates in β ladder)trans-53-52.5-177.8-173.7-177.3-178.3-165.50112.8R142 E143 G145 S146R142-K287 VanDerWaalsContact O-CE 3.26Å; R142-K287 WeakPolarHBondContact O-CE 3.41Å; R142-K287 PolarHBondContact O-NZ 3.27Å; E143-K287 VanDerWaalsContact C-NZ 3.35Å; E143-K287 WeakPolarHBondContact O-CE 3.5Å; E143-K287 PolarHBondContact O-NZ 3.46Å; G145-K287 CarbonylContact C-O 3.59Å; G145-K287 WeakPolarHBondContact CA-O 3.39Å; S146-K287 PolarHBondContact N-O 2.84Å
288Y88.5Confident92.3Very high52 Ų5228.8 Ų28.820%0.20415%0.147CC..EExtended strand (participates in β ladder)trans-124.7-19.7176.746-94.6000112.4F40 R142 M286 R291F40-Y288 HydrophobicContact CE1-CG 4.48Å; F40-Y288 HydrophobicContact CZ-CD2 4.09Å; F40-Y288 HydrophobicContact CZ-CG 4.4Å; R142-Y288 PolarHBondContact NH1-OH 2.84Å; M286-Y288 PolarHBondContact O-N 3.29Å; Y288-R291 PolarHBondContact O-NH1 2.92Å
289G90.4Very high92.4Very high3 Ų328.8 Ų28.83%0.03115%0.146CC..EExtended strand (participates in β ladder)trans77.5159.2-178.600000113.8H312G289-H312 CarbonylContact C-O 3.56Å; G289-H312 WeakPolarHBondContact CA-O 3.39Å
290N91.4Very high92.2Very high12 Ų1234.3 Ų34.36%0.06417%0.166CC..EExtended strand (participates in β ladder)trans-93.5119-178.1-71.9-19.9000110.6L295 Q310 N311 H312 N331 D334N290-L295 HydrophobicContact CB-CD1 3.89Å; N290-Q310 HydrophobicContact CB-CB 3.9Å; N290-Q310 PolarHBondContact ND2-OE1 3.34Å; N290-Q310 CarbonylContact O-C 3.45Å; N290-Q310 VanDerWaalsContact O-C 3.24Å; N290-N311 CarbonylContact O-C 3.28Å; N290-N311 VanDerWaalsContact O-CA 3.26Å; N290-N311 WeakPolarHBondContact O-CA 2.92Å; N290-N311 PolarHBondContact O-N 2.89Å; N290-H312 PolarHBondContact N-O 3.16Å; N290-H312 PolarHBondContact O-N 3.35Å; N290-N331 PolarHBondContact ND2-ND2 2.98Å; N290-D334 PolarHBondContact ND2-OD2 3Å; N290-D334 PolarHBondContact OD1-OD2 2.89Å
291R91.7Very high92.1Very high10 Ų1035.7 Ų35.74%0.03817%0.173CC..EExtended strand (participates in β ladder)trans-140.876.9-173.8-73.9-179.5-176.282.1-8.6111.2F40 Q41 T42 Y288 Q310 N311F40-R291 WeakPolarHBondContact O-CB 3.43Å; F40-R291 WeakPolarHBondContact O-CD 3.47Å; Q41-R291 VanDerWaalsContact CA-O 3.27Å; Q41-R291 WeakPolarHBondContact CA-O 3.07Å; Q41-R291 HydrophobicContact CB-CB 4.32Å; T42-R291 PolarHBondContact N-O 3.49Å; T42-R291 VanDerWaalsContact N-O 3.07Å; T42-R291 PolarHBondContact OG1-O 3.24Å; Y288-R291 PolarHBondContact O-NH1 2.92Å; R291-Q310 CarbonylContact C-O 3.57Å; R291-Q310 WeakPolarHBondContact CA-O 3.42Å; R291-N311 WeakPolarHBondContact CG-OD1 3.25Å; R291-N311 PolarHBondContact NE-OD1 3.46Å
292G90.4Very high91.8Very high1 Ų137.2 Ų37.21%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-159.6156.9-175.200000112.4T42 S309 Q310T42-G292 VanDerWaalsContact OG1-CA 3.3Å; T42-G292 WeakPolarHBondContact OG1-CA 3.44Å; G292-S309 WeakPolarHBondContact O-CA 3.16Å; G292-Q310 PolarHBondContact N-O 3.34Å; G292-Q310 PolarHBondContact O-N 3.45Å
293H90.2Very high91.5Very high12 Ų1237.6 Ų37.66%0.05619%0.192CC..EExtended strand (participates in β ladder)trans-98.215.1-175.7-58.1171.2000112.8Q41 V45 S309 H356 A358 P360Q41-H293 PolarHBondContact NE2-CD2 2.93Å; Q41-H293 PolarHBondContact NE2-CE1 3.31Å; Q41-H293 PolarHBondContact NE2-NE2 3.08Å; V45-H293 PolarHBondContact O-CE1 3.09Å; V45-H293 PolarHBondContact O-ND1 3.08Å; H293-S309 PolarHBondContact CD2-OG 2.97Å; H293-H356 AromaticContact NE2-CE1 3.99Å; H293-A358 PolarHBondContact CD2-O 2.85Å; H293-A358 PolarHBondContact CE1-O 3.05Å; H293-A358 PolarHBondContact ND1-O 3.38Å; H293-A358 PolarHBondContact NE2-O 3.43Å; H293-P360 WeakPolarHBondContact O-CD 3.43Å; H293-P360 WeakPolarHBondContact O-CG 3.49Å
294N89.2Confident91.4Very high8 Ų837.6 Ų37.64%0.04319%0.19CC..EExtended strand (participates in β ladder)trans-146.722.7-163.656.8-20.8000112.9T308 E741 S743N294-T308 PolarHBondContact N-O 3.4Å; N294-E741 HydrophobicContact CB-CB 3.92Å; N294-E741 VanDerWaalsContact CB-O 3.32Å; N294-E741 WeakPolarHBondContact CB-O 3.31Å; N294-E741 PolarHBondContact ND2-O 2.87Å; N294-S743 PolarHBondContact ND2-OG 3.25Å
295L90.7Very high91.4Very high30 Ų3032.9 Ų32.916%0.15717%0.172CC..EExtended strand (participates in β ladder)trans-89.7128.4-169.3-67.8169000111.3N290 T308 Q310N290-L295 HydrophobicContact CB-CD1 3.89Å; L295-T308 PolarHBondContact N-O 3.37Å; L295-T308 PolarHBondContact O-N 2.74Å; L295-T308 PolarHBondContact O-OG1 3.33Å; L295-Q310 HydrophobicContact CB-CG 4.05Å; L295-Q310 HydrophobicContact CD1-CB 3.64Å; L295-Q310 HydrophobicContact CD1-CG 3.7Å
296P93.6Very high91.4Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-81.8125.4-173.131.5-35.9000113.3C305 M307 A332 N333 T737 C739 F740P296-C305 VanDerWaalsContact CB-SG 3.57Å; P296-M307 HydrophobicContact CB-CE 3.67Å; P296-M307 HydrophobicContact CB-SD 4.4Å; P296-A332 HydrophobicContact CB-CB 4.04Å; P296-A332 HydrophobicContact CG-CB 4Å; P296-A332 PolarHBondContact O-N 2.98Å; P296-N333 WeakPolarHBondContact CD-ND2 3.25Å; P296-N333 VanDerWaalsContact CG-ND2 3.35Å; P296-N333 WeakPolarHBondContact CG-ND2 3.33Å; P296-T737 HydrophobicContact CB-CG2 4.35Å; P296-T737 HydrophobicContact CG-CG2 3.98Å; P296-C739 WeakPolarHBondContact CB-O 3.3Å; P296-F740 HydrophobicContact CG-CB 4.17Å
297C95.1Very high91.4Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-115.9125.1175.2-71.60000111C305 L306 T308 Q310 F329 V330 F352C297-C305 WeakPolarHBondContact O-CA 3.24Å; C297-L306 PolarHBondContact N-O 3.27Å; C297-L306 PolarHBondContact O-N 2.94Å; C297-T308 HydrophobicContact CB-CG2 3.82Å; C297-T308 PolarHBondContact SG-OG1 3.02Å; C297-Q310 PolarHBondContact SG-NE2 3.19Å; C297-F329 HydrophobicContact CB-CD1 4.43Å; C297-V330 CarbonylContact C-O 3.46Å; C297-V330 WeakPolarHBondContact CA-O 3.43Å; C297-F352 HydrophobicContact CB-CE1 4.46Å
298L94.7Very high91.6Very high42 Ų4223.8 Ų23.822%0.2213%0.132CC..EExtended strand (participates in β ladder)trans-88.6125.5174.5-73.2166.9000110.3R300 C305 F329 V330 A332 P726L298-R300 PolarHBondContact O-N 2.77Å; L298-C305 HydrophobicContact CD2-CB 3.7Å; L298-F329 WeakPolarHBondContact O-CA 3.39Å; L298-V330 HydrophobicContact CB-CG1 3.84Å; L298-V330 PolarHBondContact N-O 3.27Å; L298-V330 PolarHBondContact O-N 3.45Å; L298-A332 HydrophobicContact CD1-CB 3.84Å; L298-A332 HydrophobicContact CG-CB 3.93Å; L298-P726 HydrophobicContact CD2-CB 3.89Å; L298-P726 HydrophobicContact CD2-CG 4.06Å
299H95.1Very high91.9Very high3 Ų321.3 Ų21.31%0.01412%0.123CC..EExtended strand (participates in β ladder)trans-77114.5166.4-177.8-118.4000109.7A301 T302 G303 R304 L328 F329 L389H299-A301 VanDerWaalsContact C-N 3.32Å; H299-A301 PolarHBondContact O-N 3.32Å; H299-T302 WeakPolarHBondContact ND1-CG2 3.46Å; H299-T302 PolarHBondContact ND1-N 2.81Å; H299-T302 PolarHBondContact ND1-OG1 3.18Å; H299-T302 PolarHBondContact O-N 3.26Å; H299-G303 WeakPolarHBondContact O-CA 3.4Å; H299-G303 PolarHBondContact O-N 3.04Å; H299-R304 PolarHBondContact N-O 3.25Å; H299-L328 PolarHBondContact CD2-O 3.38Å; H299-F329 HydrophobicContact CB-CD1 3.96Å; H299-F329 HydrophobicContact CB-CE1 3.62Å; H299-F329 HydrophobicContact CB-CZ 4.46Å; H299-F329 AromaticContact CD2-CE1 3.84Å; H299-F329 AromaticContact CD2-CZ 3.9Å; H299-L389 HydrophobicContact CB-CD1 3.75Å
300R90.5Very high92Very high141 Ų14121.2 Ų21.253%0.53212%0.122SC..THydrogen-bonded Turntrans-57.7-39.7-170.7-74.9-64-163-175.70.2113.7L298 E327 L328L298-R300 PolarHBondContact O-N 2.77Å; R300-E327 HydrophobicContact CG-CG 4.01Å; R300-E327 IonicContact CZ-OE2 2.85Å; R300-E327 IonicContact NE-OE2 3.8Å; R300-E327 PolarHBondContact NE-OE2 3.46Å; R300-E327 IonicContact NH2-OE2 3.6Å; R300-E327 PolarHBondContact NH2-OE2 2.88Å; R300-L328 PolarHBondContact N-O 3.13Å; R300-L328 VanDerWaalsContact N-O 3.11Å
301A89.1Confident92Very high66 Ų6620.9 Ų20.955%0.54512%0.12SC..THydrogen-bonded Turntrans-77.3-29.8-173.900000113.9H299 E386H299-A301 VanDerWaalsContact C-N 3.32Å; H299-A301 PolarHBondContact O-N 3.32Å; A301-E386 HydrophobicContact CB-CG 4.35Å
302T88.9Confident92Very high38 Ų3820.7 Ų20.723%0.23312%0.119CC..THydrogen-bonded Turntrans-108.6-14.2-177.262.70000114H299 R304 E386 L389 R390H299-T302 WeakPolarHBondContact ND1-CG2 3.46Å; H299-T302 PolarHBondContact ND1-N 2.81Å; H299-T302 PolarHBondContact ND1-OG1 3.18Å; H299-T302 PolarHBondContact O-N 3.26Å; T302-R304 PolarHBondContact O-N 2.73Å; T302-R304 PolarHBondContact OG1-N 2.85Å; T302-E386 HydrophobicContact CG2-CB 4.48Å; T302-E386 HydrophobicContact CG2-CG 4.04Å; T302-L389 HydrophobicContact CG2-CB 4.1Å; T302-R390 HydrophobicContact CG2-CG 3.99Å
303G87.4Confident92.1Very high45 Ų4521 Ų2146%0.46412%0.122SC..  trans69.84.4-172.800000114.4H299H299-G303 WeakPolarHBondContact O-CA 3.4Å; H299-G303 PolarHBondContact O-N 3.04Å
304R90.8Very high92.3Very high19 Ų1921.5 Ų21.57%0.07212%0.124CC..  trans-70.2134.2176.5-72.6-65.9-63-85.20.3110.3H299 T302 L389 Y619 N620H299-R304 PolarHBondContact N-O 3.25Å; T302-R304 PolarHBondContact O-N 2.73Å; T302-R304 PolarHBondContact OG1-N 2.85Å; R304-L389 HydrophobicContact CG-CB 4.35Å; R304-L389 WeakPolarHBondContact CG-O 3.34Å; R304-L389 PolarHBondContact NH1-O 2.69Å; R304-Y619 WeakPolarHBondContact CD-O 3.36Å; R304-N620 PolarHBondContact NH2-ND2 3.07Å; R304-N620 PolarHBondContact NH2-O 2.79Å
305C93.2Very high92.6Very high6 Ų621.1 Ų21.14%0.04112%0.122CC..EExtended strand (participates in β ladder)trans-100.6132.9172.7-165.70000110P296 C297 L298 N621 P726 C739P296-C305 VanDerWaalsContact CB-SG 3.57Å; C297-C305 WeakPolarHBondContact O-CA 3.24Å; L298-C305 HydrophobicContact CD2-CB 3.7Å; C305-N621 PolarHBondContact N-OD1 3.35Å; C305-P726 HydrophobicContact CB-CB 4.48Å; C305-P726 HydrophobicContact CB-CG 3.61Å; C305-C739 VanDerWaalsContact CB-SG 3.59Å; C305-C739 VanDerWaalsContact SG-SG 3.63Å
306L93.8Very high92.8Very high9 Ų919.9 Ų19.95%0.04712%0.116CC..EExtended strand (participates in β ladder)trans-124.4141.5-178.8-60.2167.5000108.9C297 F329 T363 F365 L389C297-L306 PolarHBondContact N-O 3.27Å; C297-L306 PolarHBondContact O-N 2.94Å; L306-F329 HydrophobicContact CD1-CE1 3.95Å; L306-F329 HydrophobicContact CD1-CZ 4.46Å; L306-T363 HydrophobicContact CB-CG2 3.98Å; L306-T363 HydrophobicContact CD1-CG2 3.74Å; L306-T363 HydrophobicContact CG-CG2 4.46Å; L306-F365 HydrophobicContact CD1-CE1 4.13Å; L306-F365 HydrophobicContact CD1-CZ 4.4Å; L306-L389 HydrophobicContact CD1-CD1 4.26Å; L306-L389 HydrophobicContact CD1-CD2 3.88Å; L306-L389 HydrophobicContact CD2-CD2 4.18Å
307M94.1Very high92.8Very high2 Ų222.1 Ų22.11%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-81.1133.3173.8-60.9-56.69900109.2P296 P360 I623 C739 E741P296-M307 HydrophobicContact CB-CE 3.67Å; P296-M307 HydrophobicContact CB-SD 4.4Å; M307-P360 HydrophobicContact CB-CB 4.33Å; M307-P360 HydrophobicContact CB-CG 4.14Å; M307-P360 WeakPolarHBondContact O-CG 3.45Å; M307-I623 HydrophobicContact CE-CG2 3.84Å; M307-I623 HydrophobicContact CG-CG2 4.07Å; M307-I623 HydrophobicContact SD-CG2 3.94Å; M307-C739 WeakPolarHBondContact CE-O 3.42Å; M307-E741 HydrophobicContact CG-CG 3.95Å; M307-E741 HydrophobicContact SD-CG 4.09Å
308T94.8Very high92.6Very high0 Ų024.3 Ų24.30%014%0.139CC..EExtended strand (participates in β ladder)trans-129.3150.6-175.264.50000110.9N294 L295 C297 Q310 F352 T363N294-T308 PolarHBondContact N-O 3.4Å; L295-T308 PolarHBondContact N-O 3.37Å; L295-T308 PolarHBondContact O-N 2.74Å; L295-T308 PolarHBondContact O-OG1 3.33Å; C297-T308 HydrophobicContact CB-CG2 3.82Å; C297-T308 PolarHBondContact SG-OG1 3.02Å; T308-Q310 PolarHBondContact OG1-NE2 3.39Å; T308-Q310 VanDerWaalsContact OG1-NE2 3.15Å; T308-F352 HydrophobicContact CG2-CB 4.28Å; T308-F352 HydrophobicContact CG2-CD1 4.09Å; T308-F352 HydrophobicContact CG2-CD2 3.66Å; T308-F352 HydrophobicContact CG2-CE1 4.32Å; T308-F352 HydrophobicContact CG2-CE2 3.92Å; T308-F352 HydrophobicContact CG2-CG 3.76Å; T308-F352 HydrophobicContact CG2-CZ 4.24Å; T308-T363 HydrophobicContact CG2-CG2 3.99Å
309S93.8Very high92.3Very high1 Ų130.6 Ų30.61%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-91126.8164.9-171.40000109.2G292 H293 H353 H356G292-S309 WeakPolarHBondContact O-CA 3.16Å; H293-S309 PolarHBondContact CD2-OG 2.97Å; S309-H353 PolarHBondContact O-N 2.93Å; S309-H356 VanDerWaalsContact CB-CG 3.46Å; S309-H356 PolarHBondContact OG-CD2 2.93Å; S309-H356 VanDerWaalsContact OG-CG 3.24Å; S309-H356 PolarHBondContact OG-NE2 3.22Å
310Q93.2Very high91.9Very high1 Ų135.7 Ų35.71%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-122.2137.2178.1-49.9-176.14.300108.8N290 R291 G292 L295 C297 T308 H312 N331 E338 F352N290-Q310 HydrophobicContact CB-CB 3.9Å; N290-Q310 PolarHBondContact ND2-OE1 3.34Å; N290-Q310 CarbonylContact O-C 3.45Å; N290-Q310 VanDerWaalsContact O-C 3.24Å; R291-Q310 CarbonylContact C-O 3.57Å; R291-Q310 WeakPolarHBondContact CA-O 3.42Å; G292-Q310 PolarHBondContact N-O 3.34Å; G292-Q310 PolarHBondContact O-N 3.45Å; L295-Q310 HydrophobicContact CB-CG 4.05Å; L295-Q310 HydrophobicContact CD1-CB 3.64Å; L295-Q310 HydrophobicContact CD1-CG 3.7Å; C297-Q310 PolarHBondContact SG-NE2 3.19Å; T308-Q310 PolarHBondContact OG1-NE2 3.39Å; T308-Q310 VanDerWaalsContact OG1-NE2 3.15Å; Q310-H312 PolarHBondContact OE1-NE2 2.94Å; Q310-N331 PolarHBondContact OE1-ND2 2.88Å; Q310-E338 PolarHBondContact OE1-OE1 2.86Å; Q310-E338 VanDerWaalsContact OE1-OE1 3.08Å; Q310-F352 HydrophobicContact CG-CB 3.8Å
311N91Very high91.9Very high5 Ų531.1 Ų31.13%0.02718%0.177CC..EExtended strand (participates in β ladder)trans-145.369.6173.217920.9000109.3D53 S55 Y56 N290 R291D53-N311 PolarHBondContact OD2-ND2 2.86Å; S55-N311 VanDerWaalsContact CB-ND2 3.33Å; S55-N311 WeakPolarHBondContact CB-ND2 3.34Å; Y56-N311 WeakPolarHBondContact CD2-ND2 3.47Å; Y56-N311 WeakPolarHBondContact CE1-OD1 3.47Å; Y56-N311 WeakPolarHBondContact CE2-ND2 3.36Å; Y56-N311 VanDerWaalsContact CZ-OD1 3.29Å; Y56-N311 PolarHBondContact OH-OD1 3.1Å; N290-N311 CarbonylContact O-C 3.28Å; N290-N311 VanDerWaalsContact O-CA 3.26Å; N290-N311 WeakPolarHBondContact O-CA 2.92Å; N290-N311 PolarHBondContact O-N 2.89Å; R291-N311 WeakPolarHBondContact CG-OD1 3.25Å; R291-N311 PolarHBondContact NE-OD1 3.46Å
312H92.8Very high92Very high6 Ų630 Ų303%0.02816%0.164CC..EExtended strand (participates in β ladder)trans-140.8147.3-17665.880.9000111.9G289 N290 Q310 Y314 E338 Q351G289-H312 CarbonylContact C-O 3.56Å; G289-H312 WeakPolarHBondContact CA-O 3.39Å; N290-H312 PolarHBondContact N-O 3.16Å; N290-H312 PolarHBondContact O-N 3.35Å; Q310-H312 PolarHBondContact OE1-NE2 2.94Å; H312-Y314 PolarHBondContact ND1-O 3.43Å; H312-E338 IonicContact CE1-OE1 3.83Å; H312-E338 PolarHBondContact CE1-OE1 3.26Å; H312-E338 IonicContact NE2-OE1 2.89Å; H312-E338 PolarHBondContact NE2-OE1 3.02Å; H312-E338 IonicContact NE2-OE2 2.96Å; H312-Q351 VanDerWaalsContact CG-NE2 3.28Å; H312-Q351 WeakPolarHBondContact NE2-CG 3.45Å
313G92.7Very high92.1Very high7 Ų736.2 Ų36.27%0.07220%0.196CC..EExtended strand (participates in β ladder)trans-113.32.9179.200000113.8K285 M286K285-G313 VanDerWaalsContact CD-O 3.31Å; K285-G313 WeakPolarHBondContact CD-O 3.44Å; M286-G313 PolarHBondContact N-O 2.72Å
314Y94.5Very high92.3Very high22 Ų2235.9 Ų35.99%0.08619%0.193CC..EExtended strand (participates in β ladder)trans-134143.3-176.7-68.3-92.9000108.5G242 N243 P244 Q273 Y284 K285 H312 Q351G242-Y314 WeakPolarHBondContact O-CE2 3.35Å; N243-Y314 HydrophobicContact CB-CE1 4.44Å; N243-Y314 HydrophobicContact CB-CE2 4.47Å; N243-Y314 WeakPolarHBondContact CB-OH 3.29Å; P244-Y314 HydrophobicContact CG-CG 4.28Å; Q273-Y314 PolarHBondContact NE2-O 2.87Å; Y284-Y314 VanDerWaalsContact O-CA 3.23Å; Y284-Y314 WeakPolarHBondContact O-CA 3.26Å; K285-Y314 HydrophobicContact CB-CD1 3.99Å; K285-Y314 HydrophobicContact CB-CE1 3.69Å; K285-Y314 HydrophobicContact CD-CD1 4.1Å; K285-Y314 HydrophobicContact CD-CD2 4.17Å; K285-Y314 HydrophobicContact CD-CE1 3.61Å; K285-Y314 HydrophobicContact CD-CE2 3.68Å; K285-Y314 HydrophobicContact CD-CG 4.35Å; K285-Y314 HydrophobicContact CG-CE1 4.23Å; H312-Y314 PolarHBondContact ND1-O 3.43Å; Y314-Q351 PolarHBondContact O-OE1 3.22Å
315A94.5Very high92.5Very high0 Ų036.5 Ų36.50%020%0.195CC..EExtended strand (participates in β ladder)trans-125.9156.3176.400000110.3T283 Y284 M286 T336T283-A315 CarbonylContact C-O 3.55Å; T283-A315 VanDerWaalsContact CA-O 3.27Å; T283-A315 WeakPolarHBondContact CA-O 3.36Å; Y284-A315 WeakPolarHBondContact CD1-O 3.26Å; Y284-A315 HydrophobicContact CE1-CB 3.82Å; Y284-A315 HydrophobicContact CE2-CB 4.14Å; Y284-A315 PolarHBondContact N-O 2.72Å; Y284-A315 PolarHBondContact O-N 3.37Å; M286-A315 HydrophobicContact CG-CB 3.98Å; M286-A315 HydrophobicContact SD-CB 3.99Å; A315-T336 HydrophobicContact CB-CG2 4.41Å
316V95.6Very high92.5Very high4 Ų438.8 Ų38.82%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-83.6134.9176.3172.60000109.8H272 Q273 A276 C281 T283 L318H272-V316 WeakPolarHBondContact NE2-CG2 3.38Å; Q273-V316 HydrophobicContact CG-CG2 4.28Å; A276-V316 HydrophobicContact CB-CB 4.24Å; A276-V316 HydrophobicContact CB-CG1 3.63Å; A276-V316 HydrophobicContact CB-CG2 3.49Å; A276-V316 VanDerWaalsContact CB-CG2 3.49Å; C281-V316 HydrophobicContact CB-CG1 3.94Å; T283-V316 HydrophobicContact CG2-CG2 4.1Å; V316-L318 HydrophobicContact CG1-CD2 4.16Å
317D93.7Very high92.6Very high47 Ų4740.1 Ų40.125%0.25122%0.217SC..EExtended strand (participates in β ladder)trans-89.1118.4170.4-174.8-6.5000109.8S282 Y284 E319S282-D317 PolarHBondContact O-N 3.01Å; S282-D317 WeakPolarHBondContact OG-CB 3.48Å; Y284-D317 HydrophobicContact CD1-CB 4.23Å; Y284-D317 HydrophobicContact CE1-CB 4.49Å; D317-E319 WeakPolarHBondContact OD1-CB 3.47Å; D317-E319 WeakPolarHBondContact OD1-CG 3.34Å; D317-E319 PolarHBondContact OD1-N 3.14Å
318L90.2Very high92.7Very high47 Ų4740.2 Ų40.225%0.24622%0.218CC..G310 helixtrans-85.9-2.9-178-63.4-178.6000113.9V316 Q320 L321 E327 N337 I340V316-L318 HydrophobicContact CG1-CD2 4.16Å; L318-Q320 PolarHBondContact O-N 2.79Å; L318-L321 HydrophobicContact CD2-CD1 4.09Å; L318-L321 HydrophobicContact CD2-CD2 4.39Å; L318-L321 VanDerWaalsContact O-CB 3.32Å; L318-L321 WeakPolarHBondContact O-CB 3.47Å; L318-L321 PolarHBondContact O-N 2.87Å; L318-E327 HydrophobicContact CD1-CB 3.89Å; L318-E327 HydrophobicContact CD1-CG 4.12Å; L318-E327 VanDerWaalsContact CD1-OE1 3.32Å; L318-E327 WeakPolarHBondContact CD1-OE1 3.35Å; L318-N337 HydrophobicContact CD1-CB 3.92Å; L318-N337 HydrophobicContact CD2-CB 4.2Å; L318-N337 HydrophobicContact CG-CB 3.9Å; L318-I340 HydrophobicContact CD2-CG2 3.81Å
319E89.1Confident92.8Very high174 Ų17440.2 Ų40.281%0.81322%0.218SC*.G310 helixtrans-56.1-26.6176.9-75-170.9175.700112.4D317D317-E319 WeakPolarHBondContact OD1-CB 3.47Å; D317-E319 WeakPolarHBondContact OD1-CG 3.34Å; D317-E319 PolarHBondContact OD1-N 3.14Å
320Q85.2Confident92.9Very high109 Ų10940.4 Ų40.451%0.50922%0.219SC..G310 helixtrans-107.223.4-178.6-59.4178.79.900112.8G280 L318 P322G280-Q320 PolarHBondContact O-OE1 2.75Å; L318-Q320 PolarHBondContact O-N 2.79Å; Q320-P322 VanDerWaalsContact O-CD 3.26Å; Q320-P322 WeakPolarHBondContact O-CD 3.16Å
321L91.1Very high93Very high46 Ų4640.5 Ų40.524%0.24122%0.219CC..PPolyproline II helixtrans-67.1118.3179.4-167.567.5000110.7I279 L318 W325 I340I279-L321 HydrophobicContact CD1-CD1 4.17Å; L318-L321 HydrophobicContact CD2-CD1 4.09Å; L318-L321 HydrophobicContact CD2-CD2 4.39Å; L318-L321 VanDerWaalsContact O-CB 3.32Å; L318-L321 WeakPolarHBondContact O-CB 3.47Å; L318-L321 PolarHBondContact O-N 2.87Å; L321-W325 HydrophobicContact CD1-CB 3.7Å; L321-W325 HydrophobicContact CD2-CB 4.27Å; L321-W325 HydrophobicContact CG-CB 3.82Å; L321-I340 HydrophobicContact CD1-CG2 4.12Å
322P92.3Very high93Very high42 Ų4241.7 Ų41.727%0.27323%0.23SC..PPolyproline II helixtrans-69.3156.7-177.5-17.730.7000113.6I279 Q320 G324 W325I279-P322 HydrophobicContact CB-CG 4.24Å; I279-P322 HydrophobicContact CD1-CG 4.44Å; I279-P322 HydrophobicContact CG1-CG 4.4Å; I279-P322 WeakPolarHBondContact O-CG 3.49Å; Q320-P322 VanDerWaalsContact O-CD 3.26Å; Q320-P322 WeakPolarHBondContact O-CD 3.16Å; P322-G324 PolarHBondContact O-N 3.41Å; P322-W325 WeakPolarHBondContact O-CB 3.11Å; P322-W325 PolarHBondContact O-N 2.92Å; P322-W325 VanDerWaalsContact O-N 3.14Å
323D89.8Confident92.8Very high168 Ų16843.7 Ų43.790%0.89824%0.241SC*.THydrogen-bonded Turntrans-54.2134.6174.1-72.4-27.9000111.9
324G91Very high92.7Very high39 Ų3946.3 Ų46.340%0.40225%0.253SS..THydrogen-bonded Turntrans91.7-9.4-177.500000114.8P322 A343P322-G324 PolarHBondContact O-N 3.41Å; G324-A343 WeakPolarHBondContact O-CB 3.27Å; G324-A343 PolarHBondContact O-N 3.27Å
325W95.1Very high92.5Very high32 Ų3247.6 Ų47.612%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-97.7154.1168.4-67.583000111.5L275 I279 L321 P322 I340 V341 H342 Y347L275-W325 HydrophobicContact CD1-CH2 4.26Å; L275-W325 HydrophobicContact CD2-CH2 4.08Å; L275-W325 HydrophobicContact CD2-CZ3 4.22Å; L275-W325 HydrophobicContact CG-CH2 4.22Å; I279-W325 HydrophobicContact CB-CZ2 4.49Å; I279-W325 HydrophobicContact CD1-CD2 3.64Å; I279-W325 HydrophobicContact CD1-CE3 3.96Å; I279-W325 HydrophobicContact CD1-CG 3.93Å; I279-W325 HydrophobicContact CD1-CZ2 4.31Å; I279-W325 HydrophobicContact CD1-CZ3 4.38Å; I279-W325 HydrophobicContact CG2-CH2 4.02Å; I279-W325 HydrophobicContact CG2-CZ2 3.41Å; I279-W325 VanDerWaalsContact CG2-CZ2 3.41Å; L321-W325 HydrophobicContact CD1-CB 3.7Å; L321-W325 HydrophobicContact CD2-CB 4.27Å; L321-W325 HydrophobicContact CG-CB 3.82Å; P322-W325 WeakPolarHBondContact O-CB 3.11Å; P322-W325 PolarHBondContact O-N 2.92Å; P322-W325 VanDerWaalsContact O-N 3.14Å; W325-I340 HydrophobicContact CE3-CB 4.26Å; W325-I340 HydrophobicContact CE3-CD1 4.15Å; W325-I340 HydrophobicContact CE3-CG1 4.33Å; W325-I340 HydrophobicContact CZ3-CD1 4.05Å; W325-I340 HydrophobicContact CZ3-CG1 4.22Å; W325-V341 CarbonylContact C-O 3.4Å; W325-V341 WeakPolarHBondContact CA-O 3.36Å; W325-H342 HydrophobicContact CD2-CB 4.09Å; W325-H342 AromaticContact CE2-CD2 3.64Å; W325-H342 HydrophobicContact CE3-CB 4.11Å; W325-H342 HydrophobicContact CH2-CB 4.18Å; W325-H342 HydrophobicContact CZ2-CB 4.1Å; W325-H342 AromaticContact CZ2-CD2 3.94Å; W325-H342 HydrophobicContact CZ3-CB 4.17Å; W325-H342 AromaticContact NE1-CD2 3.55Å; W325-Y347 VanDerWaalsContact CH2-CB 3.45Å; W325-Y347 HydrophobicContact CH2-CD2 4.11Å; W325-Y347 HydrophobicContact CH2-CG 4.24Å; W325-Y347 AromaticContact CZ2-CD2 3.91Å; W325-Y347 HydrophobicContact CZ2-CD2 3.91Å; W325-Y347 HydrophobicContact CZ2-CG 4.5Å
326S94.9Very high92.5Very high53 Ų5348.1 Ų48.137%0.37128%0.276SS..EExtended strand (participates in β ladder)trans-143.6152.1176.7540000110.8L328 I340 V341S326-L328 PolarHBondContact O-N 3.35Å; S326-I340 WeakPolarHBondContact O-CA 3.49Å; S326-V341 PolarHBondContact N-O 3.2Å; S326-V341 PolarHBondContact O-N 2.82Å; S326-V341 VanDerWaalsContact OG-CG1 3.31Å; S326-V341 WeakPolarHBondContact OG-CG1 3.42Å; S326-V341 PolarHBondContact OG-O 3.45Å
327E95.3Very high92.5Very high38 Ų3848.2 Ų48.218%0.17828%0.276CS..EExtended strand (participates in β ladder)trans-65.4124.2168.3175166.2-115.800109.9R300 L318 N337R300-E327 HydrophobicContact CG-CG 4.01Å; R300-E327 IonicContact CZ-OE2 2.85Å; R300-E327 IonicContact NE-OE2 3.8Å; R300-E327 PolarHBondContact NE-OE2 3.46Å; R300-E327 IonicContact NH2-OE2 3.6Å; R300-E327 PolarHBondContact NH2-OE2 2.88Å; L318-E327 HydrophobicContact CD1-CB 3.89Å; L318-E327 HydrophobicContact CD1-CG 4.12Å; L318-E327 VanDerWaalsContact CD1-OE1 3.32Å; L318-E327 WeakPolarHBondContact CD1-OE1 3.35Å; E327-N337 WeakPolarHBondContact CG-ND2 3.48Å; E327-N337 PolarHBondContact OE1-ND2 3.28Å
328L96.4Very high92.7Very high4 Ų446 Ų462%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-90.7-53.3-178.5-178.965.1000111.3H299 R300 S326 G339 V341 F348 V350 I385H299-L328 PolarHBondContact CD2-O 3.38Å; R300-L328 PolarHBondContact N-O 3.13Å; R300-L328 VanDerWaalsContact N-O 3.11Å; S326-L328 PolarHBondContact O-N 3.35Å; L328-G339 PolarHBondContact N-O 3.32Å; L328-V341 HydrophobicContact CB-CB 4.16Å; L328-V341 HydrophobicContact CB-CG1 3.97Å; L328-V341 HydrophobicContact CD1-CB 4.16Å; L328-V341 HydrophobicContact CD1-CG1 3.84Å; L328-V341 HydrophobicContact CD2-CB 4.32Å; L328-V341 HydrophobicContact CG-CB 4.43Å; L328-V341 HydrophobicContact CG-CG1 4.38Å; L328-F348 HydrophobicContact CD2-CD2 4.26Å; L328-V350 HydrophobicContact CD2-CG1 4.33Å; L328-I385 HydrophobicContact CD1-CD1 3.78Å; L328-I385 HydrophobicContact CD2-CD1 3.88Å; L328-I385 HydrophobicContact CG-CD1 4.42Å
329F97.1Very high93Very high0 Ų043.7 Ų43.70%025%0.253CS..EExtended strand (participates in β ladder)trans-126.8147.1178.7-67.4-81.5000110.3C297 L298 H299 L306 E338 G339 V350 F352 L366C297-F329 HydrophobicContact CB-CD1 4.43Å; L298-F329 WeakPolarHBondContact O-CA 3.39Å; H299-F329 HydrophobicContact CB-CD1 3.96Å; H299-F329 HydrophobicContact CB-CE1 3.62Å; H299-F329 HydrophobicContact CB-CZ 4.46Å; H299-F329 AromaticContact CD2-CE1 3.84Å; H299-F329 AromaticContact CD2-CZ 3.9Å; L306-F329 HydrophobicContact CD1-CE1 3.95Å; L306-F329 HydrophobicContact CD1-CZ 4.46Å; F329-E338 HydrophobicContact CB-CB 3.9Å; F329-E338 CarbonylContact O-C 3.59Å; F329-E338 WeakPolarHBondContact O-CA 3.43Å; F329-E338 PolarHBondContact O-N 3.38Å; F329-G339 PolarHBondContact O-N 3.1Å; F329-V350 HydrophobicContact CD2-CG1 3.87Å; F329-V350 HydrophobicContact CE2-CG1 4.09Å; F329-F352 HydrophobicContact CB-CE1 3.92Å; F329-F352 HydrophobicContact CD1-CE1 4.38Å; F329-F352 AromaticContact CD2-CE1 3.77Å; F329-F352 HydrophobicContact CD2-CE1 3.77Å; F329-F352 AromaticContact CD2-CZ 3.86Å; F329-F352 HydrophobicContact CD2-CZ 3.86Å; F329-F352 HydrophobicContact CE2-CE1 4.4Å; F329-F352 HydrophobicContact CE2-CZ 4.02Å; F329-F352 AromaticContact CG-CE1 3.78Å; F329-F352 HydrophobicContact CG-CE1 3.78Å; F329-F352 HydrophobicContact CG-CZ 4.16Å; F329-F352 HydrophobicContact CZ-CZ 4.43Å; F329-L366 HydrophobicContact CE2-CD1 4.23Å; F329-L366 HydrophobicContact CE2-CD2 4.38Å
330V96Very high93.4Very high5 Ų535.4 Ų35.43%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-130.6141.2172.5660000109.1C297 L298 A332 T336C297-V330 CarbonylContact C-O 3.46Å; C297-V330 WeakPolarHBondContact CA-O 3.43Å; L298-V330 HydrophobicContact CB-CG1 3.84Å; L298-V330 PolarHBondContact N-O 3.27Å; L298-V330 PolarHBondContact O-N 3.45Å; V330-A332 PolarHBondContact O-N 2.72Å; V330-T336 WeakPolarHBondContact CG2-O 3.42Å
331N94.3Very high94Very high3 Ų330.4 Ų30.42%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-67.1125.4170.5-174.5-44.2000109.6N290 Q310 N333 D334 G335 T336 E338N290-N331 PolarHBondContact ND2-ND2 2.98Å; Q310-N331 PolarHBondContact OE1-ND2 2.88Å; N331-N333 PolarHBondContact O-N 3.26Å; N331-N333 WeakPolarHBondContact OD1-CB 3.25Å; N331-N333 PolarHBondContact OD1-N 3.01Å; N331-D334 WeakPolarHBondContact CB-OD1 3.23Å; N331-D334 PolarHBondContact OD1-N 3.04Å; N331-G335 WeakPolarHBondContact O-CA 3.39Å; N331-G335 PolarHBondContact O-N 2.9Å; N331-T336 WeakPolarHBondContact CB-OG1 3.33Å; N331-T336 PolarHBondContact N-O 2.93Å; N331-E338 HydrophobicContact CB-CG 3.74Å
332A91.7Very high94.2Very high29 Ų2929.6 Ų29.624%0.2419%0.186CC..THydrogen-bonded Turntrans-69.8-18.3-174.600000113.7P296 L298 V330 T737P296-A332 HydrophobicContact CB-CB 4.04Å; P296-A332 HydrophobicContact CG-CB 4Å; P296-A332 PolarHBondContact O-N 2.98Å; L298-A332 HydrophobicContact CD1-CB 3.84Å; L298-A332 HydrophobicContact CG-CB 3.93Å; V330-A332 PolarHBondContact O-N 2.72Å; A332-T737 HydrophobicContact CB-CG2 3.86Å
333N88.6Confident94.2Very high49 Ų4930.2 Ų30.226%0.26219%0.194SC..THydrogen-bonded Turntrans-97.2-41.8-175-72.4-28.6000113.4P296 N331 T736 T737P296-N333 WeakPolarHBondContact CD-ND2 3.25Å; P296-N333 VanDerWaalsContact CG-ND2 3.35Å; P296-N333 WeakPolarHBondContact CG-ND2 3.33Å; N331-N333 PolarHBondContact O-N 3.26Å; N331-N333 WeakPolarHBondContact OD1-CB 3.25Å; N331-N333 PolarHBondContact OD1-N 3.01Å; N333-T736 HydrophobicContact CB-CG2 4.2Å; N333-T736 WeakPolarHBondContact OD1-CB 3.41Å; N333-T737 WeakPolarHBondContact OD1-CG2 3.39Å; N333-T737 PolarHBondContact OD1-N 2.9Å
334D89.5Confident94.1Very high62 Ų6226.3 Ų26.333%0.33218%0.18SC..THydrogen-bonded Turntrans-115.2-6.3-174.967.616000114.2N290 N331 T336N290-D334 PolarHBondContact ND2-OD2 3Å; N290-D334 PolarHBondContact OD1-OD2 2.89Å; N331-D334 WeakPolarHBondContact CB-OD1 3.23Å; N331-D334 PolarHBondContact OD1-N 3.04Å; D334-T336 PolarHBondContact O-N 3.46Å; D334-T336 VanDerWaalsContact OD1-CB 3.32Å; D334-T336 WeakPolarHBondContact OD1-CB 3.34Å; D334-T336 WeakPolarHBondContact OD1-CG2 3.36Å; D334-T336 PolarHBondContact OD1-N 2.97Å; D334-T336 PolarHBondContact OD1-OG1 2.84Å; D334-T336 PolarHBondContact OD2-OG1 2.85Å
335G91.3Very high94.2Very high49 Ų4928.4 Ų28.451%0.50518%0.178SC..  trans728.6178.700000114.8N331N331-G335 WeakPolarHBondContact O-CA 3.39Å; N331-G335 PolarHBondContact O-N 2.9Å
336T94.4Very high94.1Very high11 Ų1128.3 Ų28.37%0.06718%0.181CC..  trans-64.7146.3177.253.50000111.5M286 A315 V330 N331 D334 E338M286-T336 HydrophobicContact CE-CG2 3.86Å; A315-T336 HydrophobicContact CB-CG2 4.41Å; V330-T336 WeakPolarHBondContact CG2-O 3.42Å; N331-T336 WeakPolarHBondContact CB-OG1 3.33Å; N331-T336 PolarHBondContact N-O 2.93Å; D334-T336 PolarHBondContact O-N 3.46Å; D334-T336 VanDerWaalsContact OD1-CB 3.32Å; D334-T336 WeakPolarHBondContact OD1-CB 3.34Å; D334-T336 WeakPolarHBondContact OD1-CG2 3.36Å; D334-T336 PolarHBondContact OD1-N 2.97Å; D334-T336 PolarHBondContact OD1-OG1 2.84Å; D334-T336 PolarHBondContact OD2-OG1 2.85Å; T336-E338 PolarHBondContact O-N 2.9Å
337N96.5Very high94.1Very high5 Ų526 Ų263%0.02717%0.165CC..EExtended strand (participates in β ladder)trans-67.8122.7176.6179.5-115.4000110H272 L318 E327 G339H272-N337 PolarHBondContact CE1-OD1 2.96Å; H272-N337 PolarHBondContact NE2-OD1 3.26Å; L318-N337 HydrophobicContact CD1-CB 3.92Å; L318-N337 HydrophobicContact CD2-CB 4.2Å; L318-N337 HydrophobicContact CG-CB 3.9Å; E327-N337 WeakPolarHBondContact CG-ND2 3.48Å; E327-N337 PolarHBondContact OE1-ND2 3.28Å; N337-G339 PolarHBondContact ND2-O 3.18Å
338E97Very high94.2Very high0 Ų024.2 Ų24.20%016%0.156CC..EExtended strand (participates in β ladder)trans-112.42-177.5-74.3-65.7156.500112.6Q310 H312 F329 N331 T336 V350 Q351 F352Q310-E338 PolarHBondContact OE1-OE1 2.86Å; Q310-E338 VanDerWaalsContact OE1-OE1 3.08Å; H312-E338 IonicContact CE1-OE1 3.83Å; H312-E338 PolarHBondContact CE1-OE1 3.26Å; H312-E338 IonicContact NE2-OE1 2.89Å; H312-E338 PolarHBondContact NE2-OE1 3.02Å; H312-E338 IonicContact NE2-OE2 2.96Å; F329-E338 HydrophobicContact CB-CB 3.9Å; F329-E338 CarbonylContact O-C 3.59Å; F329-E338 WeakPolarHBondContact O-CA 3.43Å; F329-E338 PolarHBondContact O-N 3.38Å; N331-E338 HydrophobicContact CB-CG 3.74Å; T336-E338 PolarHBondContact O-N 2.9Å; E338-V350 CarbonylContact O-C 3.56Å; E338-V350 VanDerWaalsContact O-CA 3.28Å; E338-V350 WeakPolarHBondContact O-CA 3.48Å; E338-Q351 PolarHBondContact O-N 3.1Å; E338-Q351 WeakPolarHBondContact OE2-CB 3.4Å; E338-F352 HydrophobicContact CB-CD1 4.04Å; E338-F352 HydrophobicContact CB-CE1 4.39Å; E338-F352 WeakPolarHBondContact O-CE1 3.3Å; E338-F352 PolarHBondContact OE2-N 2.98Å; E338-F352 VanDerWaalsContact OE2-N 3.08Å
339G97.3Very high94.3Very high0 Ų024 Ų240%016%0.155CC..EExtended strand (participates in β ladder)trans175.5157.9171.100000114.2L328 F329 N337 S349L328-G339 PolarHBondContact N-O 3.32Å; F329-G339 PolarHBondContact O-N 3.1Å; N337-G339 PolarHBondContact ND2-O 3.18Å; G339-S349 CarbonylContact C-O 3.52Å; G339-S349 WeakPolarHBondContact CA-O 3.37Å
340I97.6Very high94.3Very high0 Ų024 Ų240%016%0.155CC..EExtended strand (participates in β ladder)trans-132148.817654.9172.1000110.2A276 I279 L318 L321 W325 S326 F348 S349A276-I340 HydrophobicContact CB-CD1 3.99Å; I279-I340 HydrophobicContact CD1-CD1 3.83Å; L318-I340 HydrophobicContact CD2-CG2 3.81Å; L321-I340 HydrophobicContact CD1-CG2 4.12Å; W325-I340 HydrophobicContact CE3-CB 4.26Å; W325-I340 HydrophobicContact CE3-CD1 4.15Å; W325-I340 HydrophobicContact CE3-CG1 4.33Å; W325-I340 HydrophobicContact CZ3-CD1 4.05Å; W325-I340 HydrophobicContact CZ3-CG1 4.22Å; S326-I340 WeakPolarHBondContact O-CA 3.49Å; I340-F348 CarbonylContact O-C 3.49Å; I340-F348 VanDerWaalsContact O-CA 3.23Å; I340-F348 WeakPolarHBondContact O-CA 3.46Å; I340-S349 WeakPolarHBondContact CG1-OG 3.24Å; I340-S349 PolarHBondContact N-O 3.24Å; I340-S349 PolarHBondContact O-N 3.4Å
341V96.8Very high94.4Very high3 Ų323.8 Ų23.82%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-142.6142.3178.464.50000110.8W325 S326 L328 F348 I381 P382W325-V341 CarbonylContact C-O 3.4Å; W325-V341 WeakPolarHBondContact CA-O 3.36Å; S326-V341 PolarHBondContact N-O 3.2Å; S326-V341 PolarHBondContact O-N 2.82Å; S326-V341 VanDerWaalsContact OG-CG1 3.31Å; S326-V341 WeakPolarHBondContact OG-CG1 3.42Å; S326-V341 PolarHBondContact OG-O 3.45Å; L328-V341 HydrophobicContact CB-CB 4.16Å; L328-V341 HydrophobicContact CB-CG1 3.97Å; L328-V341 HydrophobicContact CD1-CB 4.16Å; L328-V341 HydrophobicContact CD1-CG1 3.84Å; L328-V341 HydrophobicContact CD2-CB 4.32Å; L328-V341 HydrophobicContact CG-CB 4.43Å; L328-V341 HydrophobicContact CG-CG1 4.38Å; V341-F348 HydrophobicContact CB-CB 4.09Å; V341-F348 HydrophobicContact CG2-CB 3.91Å; V341-I381 HydrophobicContact CG2-CB 4.02Å; V341-I381 HydrophobicContact CG2-CG2 3.85Å; V341-P382 HydrophobicContact CG1-CG 4.29Å; V341-P382 HydrophobicContact CG2-CG 3.79Å
342H95.6Very high94.4Very high30 Ų3023.7 Ų23.714%0.13915%0.153CC..EExtended strand (participates in β ladder)trans-86.4138.5171.8-170-57.9000110.6W325 S344 K345 Y347W325-H342 HydrophobicContact CD2-CB 4.09Å; W325-H342 AromaticContact CE2-CD2 3.64Å; W325-H342 HydrophobicContact CE3-CB 4.11Å; W325-H342 HydrophobicContact CH2-CB 4.18Å; W325-H342 HydrophobicContact CZ2-CB 4.1Å; W325-H342 AromaticContact CZ2-CD2 3.94Å; W325-H342 HydrophobicContact CZ3-CB 4.17Å; W325-H342 AromaticContact NE1-CD2 3.55Å; H342-S344 PolarHBondContact CE1-OG 2.95Å; H342-S344 PolarHBondContact ND1-N 2.82Å; H342-S344 VanDerWaalsContact ND1-N 3.15Å; H342-S344 PolarHBondContact O-N 3.27Å; H342-K345 HydrophobicContact CB-CB 4.23Å; H342-K345 PolarHBondContact ND1-N 2.84Å; H342-Y347 HydrophobicContact CB-CD2 4.32Å; H342-Y347 PolarHBondContact N-O 2.79Å
343A91.5Very high94.6Very high55 Ų5522.3 Ų22.346%0.45514%0.142SC..SBendtrans-61.5-43-174.900000114.4G324G324-A343 WeakPolarHBondContact O-CB 3.27Å; G324-A343 PolarHBondContact O-N 3.27Å
344S89.3Confident94.8Very high85 Ų8520 Ų2059%0.59413%0.13SC*.SBendtrans-120.9-20.7-176.658.60000116.4H342H342-S344 PolarHBondContact CE1-OG 2.95Å; H342-S344 PolarHBondContact ND1-N 2.82Å; H342-S344 VanDerWaalsContact ND1-N 3.15Å; H342-S344 PolarHBondContact O-N 3.27Å
345K92.2Very high94.9Very high84 Ų8417.1 Ų17.137%0.36511%0.114SC..SBendtrans-91.2151.2177.8-62.9-63.2-169.41710110.2G261 H342 Y347G261-K345 PolarHBondContact O-NZ 3.38Å; H342-K345 HydrophobicContact CB-CB 4.23Å; H342-K345 PolarHBondContact ND1-N 2.84Å; K345-Y347 HydrophobicContact CB-CD2 3.55Å; K345-Y347 HydrophobicContact CB-CE2 3.54Å; K345-Y347 HydrophobicContact CB-CG 4.12Å; K345-Y347 HydrophobicContact CG-CD2 4.41Å; K345-Y347 HydrophobicContact CG-CE2 4.01Å; K345-Y347 PolarHBondContact O-N 2.71Å
346P92.5Very high94.2Very high29 Ų2915 Ų1519%0.1889%0.091CC..SBendtrans-7950-175.234.8-37.8000112.3P264 V265P264-P346 CarbonylContact C-O 3.38Å; P264-P346 VanDerWaalsContact CA-O 3.23Å; P264-P346 WeakPolarHBondContact CA-O 3.09Å; P264-P346 HydrophobicContact CB-CB 4.04Å; P264-P346 HydrophobicContact CB-CG 4.42Å; P264-P346 HydrophobicContact CG-CB 3.94Å; P264-P346 HydrophobicContact CG-CG 4.15Å; V265-P346 PolarHBondContact N-O 3.19Å
347Y95.4Very high93.5Very high6 Ų615.2 Ų15.22%0.0249%0.091CC..EExtended strand (participates in β ladder)trans-118.4126.4-176.7-46.7-37.2000110.2I258 G261 K263 V265 W325 H342 K345I258-Y347 HydrophobicContact CB-CE2 4.05Å; I258-Y347 HydrophobicContact CG2-CD2 4.45Å; I258-Y347 HydrophobicContact CG2-CE1 4.49Å; I258-Y347 HydrophobicContact CG2-CE2 4.29Å; I258-Y347 PolarHBondContact O-OH 3.03Å; G261-Y347 WeakPolarHBondContact CA-OH 3.34Å; G261-Y347 PolarHBondContact N-OH 3.21Å; K263-Y347 VanDerWaalsContact O-CE1 3.23Å; K263-Y347 WeakPolarHBondContact O-CE1 3.3Å; V265-Y347 HydrophobicContact CB-CD1 3.87Å; V265-Y347 HydrophobicContact CG2-CD1 3.73Å; V265-Y347 HydrophobicContact CG2-CE1 3.9Å; W325-Y347 VanDerWaalsContact CH2-CB 3.45Å; W325-Y347 HydrophobicContact CH2-CD2 4.11Å; W325-Y347 HydrophobicContact CH2-CG 4.24Å; W325-Y347 AromaticContact CZ2-CD2 3.91Å; W325-Y347 HydrophobicContact CZ2-CD2 3.91Å; W325-Y347 HydrophobicContact CZ2-CG 4.5Å; H342-Y347 HydrophobicContact CB-CD2 4.32Å; H342-Y347 PolarHBondContact N-O 2.79Å; K345-Y347 HydrophobicContact CB-CD2 3.55Å; K345-Y347 HydrophobicContact CB-CE2 3.54Å; K345-Y347 HydrophobicContact CB-CG 4.12Å; K345-Y347 HydrophobicContact CG-CD2 4.41Å; K345-Y347 HydrophobicContact CG-CE2 4.01Å; K345-Y347 PolarHBondContact O-N 2.71Å
348F97.3Very high92.9Very high0 Ų015 Ų150%09%0.09CC..EExtended strand (participates in β ladder)trans-154.1162.2171.774.7-68.9000110.9V265 F266 G267 L328 I340 V341 L366 V369 F370 I381V265-F348 PolarHBondContact O-N 2.79Å; V265-F348 VanDerWaalsContact O-N 3.07Å; F266-F348 VanDerWaalsContact CA-O 3.32Å; F266-F348 WeakPolarHBondContact CA-O 3.43Å; F266-F348 HydrophobicContact CB-CD1 4.41Å; F266-F348 HydrophobicContact CB-CE1 3.84Å; F266-F348 HydrophobicContact CB-CZ 4.07Å; F266-F348 HydrophobicContact CD1-CE1 4.47Å; F266-F348 HydrophobicContact CD1-CE2 4.41Å; F266-F348 AromaticContact CD1-CZ 3.87Å; F266-F348 HydrophobicContact CD1-CZ 3.87Å; F266-F348 HydrophobicContact CD2-CD1 4.21Å; F266-F348 AromaticContact CD2-CD2 3.74Å; F266-F348 HydrophobicContact CD2-CD2 3.74Å; F266-F348 AromaticContact CD2-CE1 3.85Å; F266-F348 HydrophobicContact CD2-CE1 3.85Å; F266-F348 AromaticContact CD2-CE2 3.34Å; F266-F348 HydrophobicContact CD2-CE2 3.34Å; F266-F348 HydrophobicContact CD2-CG 4.16Å; F266-F348 AromaticContact CD2-CZ 3.4Å; F266-F348 HydrophobicContact CD2-CZ 3.4Å; F266-F348 HydrophobicContact CE1-CE2 4.35Å; F266-F348 HydrophobicContact CE1-CZ 4.15Å; F266-F348 AromaticContact CE2-CD2 3.8Å; F266-F348 HydrophobicContact CE2-CD2 3.8Å; F266-F348 AromaticContact CE2-CE2 3.25Å; F266-F348 HydrophobicContact CE2-CE2 3.25Å; F266-F348 AromaticContact CE2-CZ 3.7Å; F266-F348 HydrophobicContact CE2-CZ 3.7Å; F266-F348 AromaticContact CG-CE1 3.82Å; F266-F348 HydrophobicContact CG-CE1 3.82Å; F266-F348 AromaticContact CG-CE2 3.98Å; F266-F348 HydrophobicContact CG-CE2 3.98Å; F266-F348 AromaticContact CG-CZ 3.52Å; F266-F348 HydrophobicContact CG-CZ 3.52Å; F266-F348 AromaticContact CZ-CE2 3.81Å; F266-F348 HydrophobicContact CZ-CE2 3.81Å; F266-F348 HydrophobicContact CZ-CZ 4.07Å; G267-F348 PolarHBondContact N-O 2.94Å; L328-F348 HydrophobicContact CD2-CD2 4.26Å; I340-F348 CarbonylContact O-C 3.49Å; I340-F348 VanDerWaalsContact O-CA 3.23Å; I340-F348 WeakPolarHBondContact O-CA 3.46Å; V341-F348 HydrophobicContact CB-CB 4.09Å; V341-F348 HydrophobicContact CG2-CB 3.91Å; F348-L366 HydrophobicContact CE2-CB 4.34Å; F348-L366 HydrophobicContact CE2-CD2 4.24Å; F348-V369 HydrophobicContact CZ-CG1 4.31Å; F348-F370 HydrophobicContact CE1-CB 4.16Å; F348-F370 HydrophobicContact CE1-CD2 4.17Å; F348-F370 HydrophobicContact CZ-CB 4.07Å; F348-I381 HydrophobicContact CB-CG2 3.94Å; F348-I381 HydrophobicContact CD1-CD1 3.95Å; F348-I381 HydrophobicContact CD1-CG1 4.11Å; F348-I381 HydrophobicContact CD1-CG2 3.8Å; F348-I381 HydrophobicContact CD2-CG2 4.27Å; F348-I381 HydrophobicContact CE1-CD1 3.99Å; F348-I381 HydrophobicContact CE1-CG2 4.34Å; F348-I381 HydrophobicContact CG-CG2 3.76Å
349S97.9Very high92.4Very high0 Ų015 Ų150%09%0.09CC..EExtended strand (participates in β ladder)trans-155.9158.6174.162.50000111.2G267 H272 G339 I340G267-S349 CarbonylContact O-C 3.48Å; G267-S349 WeakPolarHBondContact O-CA 3.09Å; G267-S349 WeakPolarHBondContact O-CB 3.41Å; H272-S349 PolarHBondContact ND1-OG 3.24Å; G339-S349 CarbonylContact C-O 3.52Å; G339-S349 WeakPolarHBondContact CA-O 3.37Å; I340-S349 WeakPolarHBondContact CG1-OG 3.24Å; I340-S349 PolarHBondContact N-O 3.24Å; I340-S349 PolarHBondContact O-N 3.4Å
350V97.9Very high92.1Very high0 Ų015 Ų150%09%0.09CC..EExtended strand (participates in β ladder)trans-134.5142.7179.6-63.50000110.9F266 G267 I268 C269 H272 L328 F329 E338 F352 P354 L366F266-V350 HydrophobicContact CE2-CG2 3.88Å; F266-V350 HydrophobicContact CZ-CG2 4.12Å; G267-V350 PolarHBondContact O-N 3.14Å; I268-V350 CarbonylContact C-O 3.58Å; I268-V350 VanDerWaalsContact CA-O 3.31Å; I268-V350 WeakPolarHBondContact CA-O 3.18Å; I268-V350 HydrophobicContact CG1-CG2 4.29Å; C269-V350 PolarHBondContact N-O 3.44Å; H272-V350 WeakPolarHBondContact CB-O 3.29Å; L328-V350 HydrophobicContact CD2-CG1 4.33Å; F329-V350 HydrophobicContact CD2-CG1 3.87Å; F329-V350 HydrophobicContact CE2-CG1 4.09Å; E338-V350 CarbonylContact O-C 3.56Å; E338-V350 VanDerWaalsContact O-CA 3.28Å; E338-V350 WeakPolarHBondContact O-CA 3.48Å; V350-F352 HydrophobicContact CB-CD1 4.14Å; V350-F352 HydrophobicContact CB-CE1 3.8Å; V350-F352 HydrophobicContact CB-CE2 4.18Å; V350-F352 HydrophobicContact CB-CG 4.49Å; V350-F352 HydrophobicContact CB-CZ 3.82Å; V350-F352 HydrophobicContact CG1-CE1 3.93Å; V350-F352 HydrophobicContact CG1-CE2 4.41Å; V350-F352 HydrophobicContact CG1-CZ 3.74Å; V350-F352 HydrophobicContact CG2-CD2 4.44Å; V350-F352 HydrophobicContact CG2-CE2 4.19Å; V350-F352 HydrophobicContact CG2-CZ 4.31Å; V350-P354 HydrophobicContact CG2-CG 3.5Å; V350-P354 VanDerWaalsContact CG2-CG 3.5Å; V350-L366 HydrophobicContact CG1-CD1 3.94Å; V350-L366 HydrophobicContact CG2-CD1 4.45Å
351Q97.1Very high91.7Very high0 Ų018.9 Ų18.90%011%0.108CC..SBendtrans-84.2-35.5-176.6179.36077.500111.8C269 H272 Q273 H312 Y314 E338C269-Q351 WeakPolarHBondContact CA-O 3.46Å; H272-Q351 PolarHBondContact CD2-OE1 3.04Å; H272-Q351 VanDerWaalsContact CD2-OE1 3.26Å; Q273-Q351 VanDerWaalsContact CG-OE1 3.29Å; H312-Q351 VanDerWaalsContact CG-NE2 3.28Å; H312-Q351 WeakPolarHBondContact NE2-CG 3.45Å; Y314-Q351 PolarHBondContact O-OE1 3.22Å; E338-Q351 PolarHBondContact O-N 3.1Å; E338-Q351 WeakPolarHBondContact OE2-CB 3.4Å
352F95.8Very high91.5Very high0 Ų020.1 Ų20.10%012%0.115CC..SBendtrans-68.1175.6167.962.9-94.8000112.5I268 C297 T308 Q310 F329 E338 V350 P354 T363 L366I268-F352 WeakPolarHBondContact CG2-O 3.37Å; C297-F352 HydrophobicContact CB-CE1 4.46Å; T308-F352 HydrophobicContact CG2-CB 4.28Å; T308-F352 HydrophobicContact CG2-CD1 4.09Å; T308-F352 HydrophobicContact CG2-CD2 3.66Å; T308-F352 HydrophobicContact CG2-CE1 4.32Å; T308-F352 HydrophobicContact CG2-CE2 3.92Å; T308-F352 HydrophobicContact CG2-CG 3.76Å; T308-F352 HydrophobicContact CG2-CZ 4.24Å; Q310-F352 HydrophobicContact CG-CB 3.8Å; F329-F352 HydrophobicContact CB-CE1 3.92Å; F329-F352 HydrophobicContact CD1-CE1 4.38Å; F329-F352 AromaticContact CD2-CE1 3.77Å; F329-F352 HydrophobicContact CD2-CE1 3.77Å; F329-F352 AromaticContact CD2-CZ 3.86Å; F329-F352 HydrophobicContact CD2-CZ 3.86Å; F329-F352 HydrophobicContact CE2-CE1 4.4Å; F329-F352 HydrophobicContact CE2-CZ 4.02Å; F329-F352 AromaticContact CG-CE1 3.78Å; F329-F352 HydrophobicContact CG-CE1 3.78Å; F329-F352 HydrophobicContact CG-CZ 4.16Å; F329-F352 HydrophobicContact CZ-CZ 4.43Å; E338-F352 HydrophobicContact CB-CD1 4.04Å; E338-F352 HydrophobicContact CB-CE1 4.39Å; E338-F352 WeakPolarHBondContact O-CE1 3.3Å; E338-F352 PolarHBondContact OE2-N 2.98Å; E338-F352 VanDerWaalsContact OE2-N 3.08Å; V350-F352 HydrophobicContact CB-CD1 4.14Å; V350-F352 HydrophobicContact CB-CE1 3.8Å; V350-F352 HydrophobicContact CB-CE2 4.18Å; V350-F352 HydrophobicContact CB-CG 4.49Å; V350-F352 HydrophobicContact CB-CZ 3.82Å; V350-F352 HydrophobicContact CG1-CE1 3.93Å; V350-F352 HydrophobicContact CG1-CE2 4.41Å; V350-F352 HydrophobicContact CG1-CZ 3.74Å; V350-F352 HydrophobicContact CG2-CD2 4.44Å; V350-F352 HydrophobicContact CG2-CE2 4.19Å; V350-F352 HydrophobicContact CG2-CZ 4.31Å; F352-P354 HydrophobicContact CD2-CG 4.06Å; F352-P354 HydrophobicContact CE2-CB 4.44Å; F352-P354 HydrophobicContact CE2-CG 3.77Å; F352-P354 VanDerWaalsContact O-CD 3.23Å; F352-P354 WeakPolarHBondContact O-CD 3.47Å; F352-T363 HydrophobicContact CE2-CG2 3.68Å; F352-T363 WeakPolarHBondContact CE2-OG1 3.44Å; F352-T363 HydrophobicContact CZ-CG2 4.04Å; F352-L366 HydrophobicContact CE2-CD1 4.06Å; F352-L366 HydrophobicContact CZ-CD1 4.02Å
353H94.8Very high91.4Very high0 Ų018.7 Ų18.70%011%0.108CC..BIsolated β-bridgetrans-109.794.6-178.1-68.3-86.3000111.9K204 S309 E355 H356K204-H353 PolarHBondContact NZ-CE1 3.18Å; K204-H353 VanDerWaalsContact NZ-CE1 3.34Å; K204-H353 PolarHBondContact NZ-ND1 3.09Å; K204-H353 PolarHBondContact NZ-NE2 3.07Å; S309-H353 PolarHBondContact O-N 2.93Å; H353-E355 WeakPolarHBondContact CA-OE2 3.31Å; H353-E355 IonicContact CE1-OE1 3.52Å; H353-E355 IonicContact CG-OE1 3.3Å; H353-E355 IonicContact ND1-OE1 2.7Å; H353-E355 PolarHBondContact ND1-OE1 2.89Å; H353-E355 PolarHBondContact O-N 3.47Å; H353-H356 HydrophobicContact CB-CB 3.89Å; H353-H356 AromaticContact CG-CD2 3.91Å; H353-H356 WeakPolarHBondContact O-CB 3.46Å; H353-H356 PolarHBondContact O-N 3.34Å
354P93.9Very high91.6Very high1 Ų117.6 Ų17.61%0.0069%0.094CC..THydrogen-bonded Turntrans-61.5-26.7173.6-15.822.7000114.5F266 I268 V350 F352 H356 T363 L366 F367F266-P354 HydrophobicContact CZ-CG 4.24Å; I268-P354 HydrophobicContact CD1-CG 4.36Å; V350-P354 HydrophobicContact CG2-CG 3.5Å; V350-P354 VanDerWaalsContact CG2-CG 3.5Å; F352-P354 HydrophobicContact CD2-CG 4.06Å; F352-P354 HydrophobicContact CE2-CB 4.44Å; F352-P354 HydrophobicContact CE2-CG 3.77Å; F352-P354 VanDerWaalsContact O-CD 3.23Å; F352-P354 WeakPolarHBondContact O-CD 3.47Å; P354-H356 VanDerWaalsContact C-N 3.32Å; P354-T363 WeakPolarHBondContact CA-OG1 3.21Å; P354-T363 WeakPolarHBondContact CB-O 3.35Å; P354-L366 HydrophobicContact CB-CD1 4.27Å; P354-L366 HydrophobicContact CG-CD1 3.85Å; P354-F367 HydrophobicContact CB-CD2 4.5Å; P354-F367 HydrophobicContact CB-CE2 4.07Å
355E91.3Very high91.8Very high2 Ų215.1 Ų15.11%0.0097%0.072CC..THydrogen-bonded Turntrans-82.9-3.6-179.675.3-83.6-164.800113.8K204 N206 Q207 I268 H353 H357 F367K204-E355 HydrophobicContact CB-CG 4.44Å; K204-E355 HydrophobicContact CD-CG 4.34Å; N206-E355 HydrophobicContact CB-CB 4.49Å; N206-E355 WeakPolarHBondContact CB-O 3.42Å; N206-E355 PolarHBondContact ND2-O 3.43Å; Q207-E355 HydrophobicContact CB-CG 4.46Å; Q207-E355 HydrophobicContact CG-CB 3.94Å; Q207-E355 HydrophobicContact CG-CG 3.39Å; Q207-E355 PolarHBondContact NE2-OE1 3.47Å; I268-E355 WeakPolarHBondContact CD1-OE2 2.92Å; I268-E355 WeakPolarHBondContact CG2-OE2 3.45Å; H353-E355 WeakPolarHBondContact CA-OE2 3.31Å; H353-E355 IonicContact CE1-OE1 3.52Å; H353-E355 IonicContact CG-OE1 3.3Å; H353-E355 IonicContact ND1-OE1 2.7Å; H353-E355 PolarHBondContact ND1-OE1 2.89Å; H353-E355 PolarHBondContact O-N 3.47Å; E355-H357 PolarHBondContact O-N 2.97Å; E355-H357 VanDerWaalsContact O-N 3.16Å; E355-F367 HydrophobicContact CB-CE2 3.74Å; E355-F367 HydrophobicContact CB-CZ 3.75Å
356H77Confident92Very high3 Ų311.1 Ų11.11%0.0146%0.055CC..  trans-58.7127.1-156-153.5-76.4000112.1K204 H293 S309 H353 P354 A358K204-H356 PolarHBondContact NZ-CD2 3.41Å; K204-H356 PolarHBondContact NZ-NE2 3.35Å; H293-H356 AromaticContact NE2-CE1 3.99Å; S309-H356 VanDerWaalsContact CB-CG 3.46Å; S309-H356 PolarHBondContact OG-CD2 2.93Å; S309-H356 VanDerWaalsContact OG-CG 3.24Å; S309-H356 PolarHBondContact OG-NE2 3.22Å; H353-H356 HydrophobicContact CB-CB 3.89Å; H353-H356 AromaticContact CG-CD2 3.91Å; H353-H356 WeakPolarHBondContact O-CB 3.46Å; H353-H356 PolarHBondContact O-N 3.34Å; P354-H356 VanDerWaalsContact C-N 3.32Å; H356-A358 PolarHBondContact CE1-O 2.96Å; H356-A358 WeakPolarHBondContact ND1-CA 3.42Å; H356-A358 PolarHBondContact ND1-N 3.34Å; H356-A358 PolarHBondContact ND1-O 3.43Å
357H78.6Confident92.2Very high16 Ų169.7 Ų9.77%0.0745%0.046CC..SBendtrans-72.9-34.7179.2-159.460.5000112.1E49 L85 E88 N206 E355E49-H357 HydrophobicContact CG-CB 4.19Å; L85-H357 PolarHBondContact O-NE2 2.97Å; E88-H357 HydrophobicContact CG-CB 4.33Å; E88-H357 WeakPolarHBondContact OE1-CB 3.35Å; E88-H357 PolarHBondContact OE1-N 3.28Å; N206-H357 HydrophobicContact CB-CB 4.28Å; E355-H357 PolarHBondContact O-N 2.97Å; E355-H357 VanDerWaalsContact O-N 3.16Å
358A83.2Confident92.2Very high0 Ų011.9 Ų11.90%06%0.058CC..SBendtrans-98.791.9172.300000113.4E49 H293 H356 D652E49-A358 HydrophobicContact CB-CB 3.42Å; E49-A358 VanDerWaalsContact CB-CB 3.42Å; E49-A358 HydrophobicContact CG-CB 3.82Å; H293-A358 PolarHBondContact CD2-O 2.85Å; H293-A358 PolarHBondContact CE1-O 3.05Å; H293-A358 PolarHBondContact ND1-O 3.38Å; H293-A358 PolarHBondContact NE2-O 3.43Å; H356-A358 PolarHBondContact CE1-O 2.96Å; H356-A358 WeakPolarHBondContact ND1-CA 3.42Å; H356-A358 PolarHBondContact ND1-N 3.34Å; H356-A358 PolarHBondContact ND1-O 3.43Å; A358-D652 VanDerWaalsContact CA-OD2 3.31Å; A358-D652 WeakPolarHBondContact CA-OD2 3.38Å
359G87.4Confident92.1Very high1 Ų111.9 Ų11.91%0.016%0.058CC..SBendtrans139.6-172.2-174.800000113.9D652 Q656G359-D652 PolarHBondContact N-OD2 3.45Å; G359-Q656 VanDerWaalsContact O-CD 3.22Å; G359-Q656 VanDerWaalsContact O-CG 3.31Å; G359-Q656 WeakPolarHBondContact O-CG 3.41Å; G359-Q656 PolarHBondContact O-OE1 3.08Å
360P91Very high92Very high0 Ų011.9 Ų11.90%06%0.058CC..  trans-72.1140-171.428.5-36.9000111.9H293 M307 D362 R659H293-P360 WeakPolarHBondContact O-CD 3.43Å; H293-P360 WeakPolarHBondContact O-CG 3.49Å; M307-P360 HydrophobicContact CB-CB 4.33Å; M307-P360 HydrophobicContact CB-CG 4.14Å; M307-P360 WeakPolarHBondContact O-CG 3.45Å; P360-D362 VanDerWaalsContact C-N 3.28Å; P360-R659 VanDerWaalsContact CB-NH1 3.33Å
361Q89.7Confident91.8Very high81 Ų8112.4 Ų12.438%0.3796%0.061SC..  trans-89.19.5174.3-65.2174.5-10.800112.7T363 E364Q361-T363 PolarHBondContact O-N 2.89Å; Q361-E364 WeakPolarHBondContact O-CB 3.27Å; Q361-E364 PolarHBondContact O-N 3.2Å
362D91.8Very high91.5Very high29 Ų2914.7 Ų14.716%0.1557%0.071CC..THydrogen-bonded Turntrans-58.9-20.5-169.2-63.412.7000114P360 R659P360-D362 VanDerWaalsContact C-N 3.28Å; D362-R659 IonicContact OD1-CZ 3.59Å; D362-R659 IonicContact OD1-NH1 3.15Å; D362-R659 PolarHBondContact OD1-NH1 3.34Å; D362-R659 IonicContact OD1-NH2 3.19Å; D362-R659 IonicContact OD2-CZ 3.86Å; D362-R659 IonicContact OD2-NH1 3.96Å; D362-R659 IonicContact OD2-NH2 3.58Å; D362-R659 PolarHBondContact OD2-NH2 3.07Å
363T94.5Very high91.4Very high0 Ų015.1 Ų15.10%07%0.074CC..THydrogen-bonded Turntrans-113.65.2-179.651.90000114.1L306 T308 F352 P354 Q361 F365 L366L306-T363 HydrophobicContact CB-CG2 3.98Å; L306-T363 HydrophobicContact CD1-CG2 3.74Å; L306-T363 HydrophobicContact CG-CG2 4.46Å; T308-T363 HydrophobicContact CG2-CG2 3.99Å; F352-T363 HydrophobicContact CE2-CG2 3.68Å; F352-T363 WeakPolarHBondContact CE2-OG1 3.44Å; F352-T363 HydrophobicContact CZ-CG2 4.04Å; P354-T363 WeakPolarHBondContact CA-OG1 3.21Å; P354-T363 WeakPolarHBondContact CB-O 3.35Å; Q361-T363 PolarHBondContact O-N 2.89Å; T363-F365 PolarHBondContact O-N 3.48Å; T363-L366 WeakPolarHBondContact O-CB 3.3Å; T363-L366 VanDerWaalsContact O-CG 3.3Å; T363-L366 WeakPolarHBondContact O-CG 3.26Å; T363-L366 PolarHBondContact O-N 3.36Å
364E94.3Very high91.2Very high33 Ų3316.4 Ų16.415%0.1548%0.081CC..THydrogen-bonded Turntrans-60.1-24.4-179.2-158.1-162.5126.400112.4R214 Q361 L366 F367R214-E364 IonicContact CZ-OE1 3.6Å; R214-E364 IonicContact NH1-OE1 3.58Å; R214-E364 PolarHBondContact NH1-OE1 2.78Å; R214-E364 IonicContact NH2-OE1 3.67Å; R214-E364 PolarHBondContact NH2-OE1 3.15Å; Q361-E364 WeakPolarHBondContact O-CB 3.27Å; Q361-E364 PolarHBondContact O-N 3.2Å; E364-L366 PolarHBondContact O-N 3.2Å; E364-F367 HydrophobicContact CG-CD2 4.16Å; E364-F367 WeakPolarHBondContact O-CB 3.49Å; E364-F367 WeakPolarHBondContact O-CD2 3.34Å; E364-F367 PolarHBondContact O-N 3.49Å
365F94.4Very high90.7Very high32 Ų3223 Ų2314%0.1411%0.111CC..Hα-helixtrans-56.7-17.8174.577.3-94.1000113.8L306 T363 F367 D368 V369 I385 R388 L389L306-F365 HydrophobicContact CD1-CE1 4.13Å; L306-F365 HydrophobicContact CD1-CZ 4.4Å; T363-F365 PolarHBondContact O-N 3.48Å; F365-F367 PolarHBondContact O-N 3.45Å; F365-D368 WeakPolarHBondContact CA-OD2 3.34Å; F365-D368 WeakPolarHBondContact O-CA 3.47Å; F365-D368 VanDerWaalsContact O-CB 3.28Å; F365-D368 WeakPolarHBondContact O-CB 3.39Å; F365-D368 PolarHBondContact O-N 3.34Å; F365-V369 HydrophobicContact CD2-CG2 4.13Å; F365-V369 HydrophobicContact CE2-CG2 4.45Å; F365-V369 PolarHBondContact O-N 2.81Å; F365-I385 HydrophobicContact CE2-CG2 4.29Å; F365-R388 HydrophobicContact CD2-CB 4.28Å; F365-R388 VanDerWaalsContact CD2-CD 3.41Å; F365-R388 HydrophobicContact CD2-CG 4.5Å; F365-R388 HydrophobicContact CE2-CB 4.42Å; F365-L389 HydrophobicContact CE1-CD2 3.99Å; F365-L389 HydrophobicContact CZ-CD1 4.18Å; F365-L389 HydrophobicContact CZ-CD2 3.75Å; F365-L389 HydrophobicContact CZ-CG 4Å
366L96.5Very high90.1Very high0 Ų026.9 Ų26.90%013%0.13CC..Hα-helixtrans-62.8-26.4173.2-67175.6000112.2F266 F329 F348 V350 F352 P354 T363 E364 V369 F370 I385F266-L366 HydrophobicContact CE1-CB 4.49Å; F266-L366 HydrophobicContact CZ-CB 4.08Å; F329-L366 HydrophobicContact CE2-CD1 4.23Å; F329-L366 HydrophobicContact CE2-CD2 4.38Å; F348-L366 HydrophobicContact CE2-CB 4.34Å; F348-L366 HydrophobicContact CE2-CD2 4.24Å; V350-L366 HydrophobicContact CG1-CD1 3.94Å; V350-L366 HydrophobicContact CG2-CD1 4.45Å; F352-L366 HydrophobicContact CE2-CD1 4.06Å; F352-L366 HydrophobicContact CZ-CD1 4.02Å; P354-L366 HydrophobicContact CB-CD1 4.27Å; P354-L366 HydrophobicContact CG-CD1 3.85Å; T363-L366 WeakPolarHBondContact O-CB 3.3Å; T363-L366 VanDerWaalsContact O-CG 3.3Å; T363-L366 WeakPolarHBondContact O-CG 3.26Å; T363-L366 PolarHBondContact O-N 3.36Å; E364-L366 PolarHBondContact O-N 3.2Å; L366-V369 PolarHBondContact O-N 3.13Å; L366-F370 PolarHBondContact O-N 2.95Å; L366-I385 HydrophobicContact CD2-CD1 3.93Å; L366-I385 HydrophobicContact CD2-CG1 4.07Å
367F96.4Very high90Very high0 Ų034.9 Ų34.90%016%0.164CC..Hα-helixtrans-67.9-36.6168.9-73.7-89.1000111.7C210 L211 F236 F266 I268 P354 E355 E364 F365 F370 M371C210-F367 HydrophobicContact CB-CB 4.45Å; C210-F367 HydrophobicContact CB-CD1 3.66Å; C210-F367 HydrophobicContact CB-CD2 3.89Å; C210-F367 HydrophobicContact CB-CE1 3.77Å; C210-F367 HydrophobicContact CB-CE2 4Å; C210-F367 HydrophobicContact CB-CG 3.74Å; C210-F367 HydrophobicContact CB-CZ 3.96Å; L211-F367 HydrophobicContact CD2-CD1 3.76Å; L211-F367 HydrophobicContact CD2-CE1 4.23Å; L211-F367 HydrophobicContact CG-CD1 3.97Å; L211-F367 HydrophobicContact CG-CE1 4.06Å; F236-F367 HydrophobicContact CE2-CD1 4.29Å; F236-F367 AromaticContact CE2-CE1 3.58Å; F236-F367 HydrophobicContact CE2-CE1 3.58Å; F236-F367 HydrophobicContact CE2-CZ 4.21Å; F236-F367 AromaticContact CZ-CE1 3.7Å; F236-F367 HydrophobicContact CZ-CE1 3.7Å; F236-F367 HydrophobicContact CZ-CZ 4.01Å; F266-F367 HydrophobicContact CE1-CE1 4.47Å; F266-F367 HydrophobicContact CE1-CZ 4.5Å; I268-F367 HydrophobicContact CD1-CE2 4.34Å; I268-F367 HydrophobicContact CD1-CZ 3.79Å; P354-F367 HydrophobicContact CB-CD2 4.5Å; P354-F367 HydrophobicContact CB-CE2 4.07Å; E355-F367 HydrophobicContact CB-CE2 3.74Å; E355-F367 HydrophobicContact CB-CZ 3.75Å; E364-F367 HydrophobicContact CG-CD2 4.16Å; E364-F367 WeakPolarHBondContact O-CB 3.49Å; E364-F367 WeakPolarHBondContact O-CD2 3.34Å; E364-F367 PolarHBondContact O-N 3.49Å; F365-F367 PolarHBondContact O-N 3.45Å; F367-F370 PolarHBondContact O-N 2.85Å; F367-M371 WeakPolarHBondContact O-CG 3.46Å; F367-M371 PolarHBondContact O-N 3.37Å
368D94.9Very high90.1Very high51 Ų5141.6 Ų41.627%0.27320%0.201SC..Hα-helixtrans-63.7-44.2173.2-56.6-46.4000110.8R214 F365 F370 M371 E372R214-D368 IonicContact CZ-OD1 2.93Å; R214-D368 IonicContact NE-OD1 3.16Å; R214-D368 PolarHBondContact NE-OD1 3.2Å; R214-D368 IonicContact NH2-OD1 2.84Å; R214-D368 PolarHBondContact NH2-OD1 3.05Å; R214-D368 IonicContact NH2-OD2 2.83Å; F365-D368 WeakPolarHBondContact CA-OD2 3.34Å; F365-D368 WeakPolarHBondContact O-CA 3.47Å; F365-D368 VanDerWaalsContact O-CB 3.28Å; F365-D368 WeakPolarHBondContact O-CB 3.39Å; F365-D368 PolarHBondContact O-N 3.34Å; D368-F370 VanDerWaalsContact C-N 3.32Å; D368-F370 PolarHBondContact O-N 3.45Å; D368-M371 PolarHBondContact O-N 3.4Å; D368-E372 WeakPolarHBondContact O-CB 3.15Å; D368-E372 WeakPolarHBondContact O-CG 3.47Å; D368-E372 PolarHBondContact O-N 2.85Å
369V94.8Very high90.3Very high0 Ų044.2 Ų44.20%021%0.214CC..Hα-helixtrans-58.7-44.1176170.30000111.2F348 F365 L366 E372 S373 I381 L384 I385F348-V369 HydrophobicContact CZ-CG1 4.31Å; F365-V369 HydrophobicContact CD2-CG2 4.13Å; F365-V369 HydrophobicContact CE2-CG2 4.45Å; F365-V369 PolarHBondContact O-N 2.81Å; L366-V369 PolarHBondContact O-N 3.13Å; V369-E372 PolarHBondContact O-N 3.33Å; V369-S373 WeakPolarHBondContact O-CB 3.17Å; V369-S373 PolarHBondContact O-N 2.99Å; V369-I381 HydrophobicContact CG1-CD1 3.97Å; V369-I381 HydrophobicContact CG1-CG2 3.95Å; V369-L384 HydrophobicContact CG1-CB 3.93Å; V369-L384 HydrophobicContact CG1-CD1 4.3Å; V369-L384 HydrophobicContact CG2-CB 4.2Å; V369-I385 HydrophobicContact CB-CG1 4.49Å; V369-I385 HydrophobicContact CG1-CD1 4.49Å; V369-I385 HydrophobicContact CG1-CG1 3.92Å; V369-I385 HydrophobicContact CG2-CG1 3.97Å
370F95.8Very high90.5Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-62.1-46.4176.2-178.9-125.4000111.6I196 L211 A234 L235 F236 P264 F266 F348 L366 F367 D368 S373I196-F370 HydrophobicContact CD1-CE1 3.98Å; I196-F370 HydrophobicContact CG2-CE1 4.07Å; I196-F370 HydrophobicContact CG2-CZ 4.41Å; L211-F370 HydrophobicContact CD2-CD1 3.89Å; L211-F370 HydrophobicContact CD2-CE1 4.11Å; A234-F370 HydrophobicContact CB-CE1 4.4Å; A234-F370 HydrophobicContact CB-CE2 4.01Å; A234-F370 HydrophobicContact CB-CZ 3.61Å; L235-F370 WeakPolarHBondContact O-CZ 3.42Å; F236-F370 HydrophobicContact CB-CE1 4.26Å; F236-F370 HydrophobicContact CB-CZ 4.25Å; F236-F370 HydrophobicContact CD2-CD1 4.18Å; F236-F370 AromaticContact CD2-CE1 3.79Å; F236-F370 HydrophobicContact CD2-CE1 3.79Å; F236-F370 HydrophobicContact CD2-CZ 4.3Å; P264-F370 HydrophobicContact CB-CD2 4.2Å; P264-F370 HydrophobicContact CB-CE2 3.83Å; F266-F370 HydrophobicContact CB-CB 4.4Å; F266-F370 HydrophobicContact CB-CD1 4.35Å; F266-F370 HydrophobicContact CB-CD2 3.42Å; F266-F370 VanDerWaalsContact CB-CD2 3.42Å; F266-F370 HydrophobicContact CB-CE1 4.48Å; F266-F370 HydrophobicContact CB-CE2 3.58Å; F266-F370 HydrophobicContact CB-CG 3.82Å; F266-F370 HydrophobicContact CB-CZ 4.12Å; F266-F370 HydrophobicContact CD1-CB 3.94Å; F266-F370 HydrophobicContact CD1-CD1 4.3Å; F266-F370 HydrophobicContact CD1-CD2 4.46Å; F266-F370 HydrophobicContact CD1-CG 4Å; F266-F370 HydrophobicContact CG-CB 4.47Å; F266-F370 HydrophobicContact CG-CD2 4.34Å; F266-F370 HydrophobicContact CG-CG 4.33Å; F348-F370 HydrophobicContact CE1-CB 4.16Å; F348-F370 HydrophobicContact CE1-CD2 4.17Å; F348-F370 HydrophobicContact CZ-CB 4.07Å; L366-F370 PolarHBondContact O-N 2.95Å; F367-F370 PolarHBondContact O-N 2.85Å; D368-F370 VanDerWaalsContact C-N 3.32Å; D368-F370 PolarHBondContact O-N 3.45Å; F370-S373 PolarHBondContact O-N 3.1Å; F370-S373 PolarHBondContact O-OG 3.02Å
371M93.9Very high90.6Very high12 Ų1246.1 Ų46.16%0.05923%0.226CC..Hα-helixtrans-64.2-41.6178.9-67.8-62.8-70.300112.5P194 I196 L211 R214 A216 F367 D368 S373 I374P194-M371 HydrophobicContact CG-CE 3.42Å; P194-M371 VanDerWaalsContact CG-CE 3.42Å; P194-M371 HydrophobicContact CG-SD 4.18Å; I196-M371 HydrophobicContact CD1-SD 3.59Å; I196-M371 VanDerWaalsContact CD1-SD 3.59Å; L211-M371 HydrophobicContact CD2-SD 4.24Å; R214-M371 HydrophobicContact CB-CE 4.1Å; R214-M371 HydrophobicContact CB-CG 3.98Å; R214-M371 WeakPolarHBondContact O-CE 3.12Å; A216-M371 HydrophobicContact CB-CE 3.96Å; A216-M371 HydrophobicContact CB-SD 4.24Å; F367-M371 WeakPolarHBondContact O-CG 3.46Å; F367-M371 PolarHBondContact O-N 3.37Å; D368-M371 PolarHBondContact O-N 3.4Å; M371-S373 VanDerWaalsContact C-N 3.34Å; M371-S373 PolarHBondContact O-N 3.27Å; M371-I374 WeakPolarHBondContact O-CB 3.33Å; M371-I374 PolarHBondContact O-N 2.93Å; M371-I374 HydrophobicContact SD-CD1 4.36Å
372E92.4Very high90.7Very high48 Ų4843.4 Ų43.422%0.22422%0.215CC..Hα-helixtrans-65.3-36.7177.3-77.5173.9-176.300111.9D368 V369 I374 Q375 Q376 L384 R388D368-E372 WeakPolarHBondContact O-CB 3.15Å; D368-E372 WeakPolarHBondContact O-CG 3.47Å; D368-E372 PolarHBondContact O-N 2.85Å; V369-E372 PolarHBondContact O-N 3.33Å; E372-I374 PolarHBondContact O-N 3.08Å; E372-I374 VanDerWaalsContact O-N 3.11Å; E372-Q375 PolarHBondContact O-N 3.37Å; E372-Q376 PolarHBondContact O-N 2.84Å; E372-L384 HydrophobicContact CB-CD1 4.17Å; E372-L384 HydrophobicContact CB-CD2 4.4Å; E372-R388 IonicContact OE1-CZ 3.18Å; E372-R388 IonicContact OE1-NH1 2.75Å; E372-R388 IonicContact OE1-NH2 3.75Å; E372-R388 PolarHBondContact OE1-NH2 3.27Å; E372-R388 IonicContact OE2-CZ 2.98Å; E372-R388 IonicContact OE2-NH1 2.72Å; E372-R388 PolarHBondContact OE2-NH1 3.05Å; E372-R388 IonicContact OE2-NH2 2.8Å; E372-R388 PolarHBondContact OE2-NH2 3.01Å
373S92.2Very high90.7Very high8 Ų846.1 Ų46.16%0.05623%0.227CC..Hα-helixtrans-62.1-20.5177.778.40000114.1P264 V369 F370 M371P264-S373 VanDerWaalsContact CB-OG 3.3Å; P264-S373 WeakPolarHBondContact CB-OG 3.32Å; P264-S373 WeakPolarHBondContact CG-OG 3.43Å; V369-S373 WeakPolarHBondContact O-CB 3.17Å; V369-S373 PolarHBondContact O-N 2.99Å; F370-S373 PolarHBondContact O-N 3.1Å; F370-S373 PolarHBondContact O-OG 3.02Å; M371-S373 VanDerWaalsContact C-N 3.34Å; M371-S373 PolarHBondContact O-N 3.27Å
374I91Very high90.6Very high27 Ų2746.1 Ų46.114%0.13823%0.227CC..Hα-helixtrans-77.1-38.1174.7-53.2170.9000110.4P194 I196 D233 A234 P264 M371 E372P194-I374 HydrophobicContact CB-CD1 3.8Å; P194-I374 HydrophobicContact CB-CG2 3.87Å; P194-I374 HydrophobicContact CG-CD1 3.89Å; I196-I374 HydrophobicContact CD1-CD1 4.26Å; I196-I374 HydrophobicContact CG1-CD1 4.39Å; D233-I374 HydrophobicContact CB-CG2 4.32Å; A234-I374 HydrophobicContact CB-CD1 3.62Å; A234-I374 HydrophobicContact CB-CG1 3.87Å; P264-I374 HydrophobicContact CB-CG1 4.4Å; P264-I374 HydrophobicContact CG-CG1 3.95Å; M371-I374 WeakPolarHBondContact O-CB 3.33Å; M371-I374 PolarHBondContact O-N 2.93Å; M371-I374 HydrophobicContact SD-CD1 4.36Å; E372-I374 PolarHBondContact O-N 3.08Å; E372-I374 VanDerWaalsContact O-N 3.11Å
375Q83.7Confident90.6Very high140 Ų14044.6 Ų44.665%0.65422%0.22SC*.Hα-helixtrans-91.1-42.1-173.4-61.3-179.52.100112.7E372E372-Q375 PolarHBondContact O-N 3.37Å
376Q79.7Confident90.5Very high84 Ų8445 Ų4539%0.39322%0.222SC..  trans-106.278.3-172.6-62.3-173.75.400110.8E372 D378 L379E372-Q376 PolarHBondContact O-N 2.84Å; Q376-D378 PolarHBondContact O-N 3.5Å; Q376-D378 VanDerWaalsContact O-N 3.13Å; Q376-L379 PolarHBondContact O-N 3.28Å
377K73.9Confident90.1Very high170 Ų17050.7 Ų50.774%0.73925%0.249SC*.THydrogen-bonded Turntrans-68.9-7.9-179.9-63.3-172.4178.7-173.40114.4
378D81.6Confident89.8Confident158 Ų15854.7 Ų54.785%0.84526%0.264SS*.THydrogen-bonded Turntrans-83.4-20-178.3-60.3-32.3000113.4Q376Q376-D378 PolarHBondContact O-N 3.5Å; Q376-D378 VanDerWaalsContact O-N 3.13Å
379L86.6Confident89.5Confident54 Ų5452.6 Ų52.628%0.28325%0.253SS..SBendtrans-107139.4178.4-67.8177.5000110.8Q376 Q383 L384Q376-L379 PolarHBondContact O-N 3.28Å; L379-Q383 HydrophobicContact CD2-CB 4.47Å; L379-L384 HydrophobicContact CB-CD2 3.97Å; L379-L384 HydrophobicContact CB-CG 4.11Å; L379-L384 HydrophobicContact CD1-CD2 3.72Å
380T91.1Very high88.8Confident40 Ų4060 Ų6025%0.24528%0.281CS..  trans-81.7156174.469.60000110.8Q383 L384T380-Q383 WeakPolarHBondContact O-CB 3.48Å; T380-Q383 PolarHBondContact O-N 2.95Å; T380-Q383 WeakPolarHBondContact OG1-CG 3.27Å; T380-Q383 PolarHBondContact OG1-OE1 2.88Å; T380-L384 PolarHBondContact O-N 3.4Å; T380-L384 VanDerWaalsContact O-N 3.08Å
381I93Very high87.2Confident2 Ų263.1 Ų63.11%0.0130%0.301CS..Hα-helixtrans-53.6-46176.9-61.4-68.9000112.2V341 F348 V369 Q383 L384 I385V341-I381 HydrophobicContact CG2-CB 4.02Å; V341-I381 HydrophobicContact CG2-CG2 3.85Å; F348-I381 HydrophobicContact CB-CG2 3.94Å; F348-I381 HydrophobicContact CD1-CD1 3.95Å; F348-I381 HydrophobicContact CD1-CG1 4.11Å; F348-I381 HydrophobicContact CD1-CG2 3.8Å; F348-I381 HydrophobicContact CD2-CG2 4.27Å; F348-I381 HydrophobicContact CE1-CD1 3.99Å; F348-I381 HydrophobicContact CE1-CG2 4.34Å; F348-I381 HydrophobicContact CG-CG2 3.76Å; V369-I381 HydrophobicContact CG1-CD1 3.97Å; V369-I381 HydrophobicContact CG1-CG2 3.95Å; I381-Q383 VanDerWaalsContact C-N 3.28Å; I381-Q383 PolarHBondContact O-N 2.78Å; I381-L384 HydrophobicContact CD1-CD1 4.48Å; I381-L384 PolarHBondContact O-N 3.11Å; I381-L384 VanDerWaalsContact O-N 3.17Å; I381-I385 HydrophobicContact CG2-CD1 3.77Å; I381-I385 HydrophobicContact CG2-CG1 4.33Å; I381-I385 WeakPolarHBondContact O-CG1 3.48Å; I381-I385 PolarHBondContact O-N 3.34Å
382P92.9Very high85.5Confident23 Ų2369.8 Ų69.815%0.14934%0.342CS..Hα-helixtrans-54.2-42.5174.3-2835.7000113.3V341 L384 I385 E386V341-P382 HydrophobicContact CG1-CG 4.29Å; V341-P382 HydrophobicContact CG2-CG 3.79Å; P382-L384 PolarHBondContact O-N 3.44Å; P382-I385 PolarHBondContact O-N 3.13Å; P382-E386 WeakPolarHBondContact O-CB 3.21Å; P382-E386 VanDerWaalsContact O-CG 3.27Å; P382-E386 WeakPolarHBondContact O-CG 3.32Å; P382-E386 PolarHBondContact O-N 3.38Å
383Q91.8Very high83.6Confident87 Ų8772.2 Ų72.241%0.40736%0.361SS..Hα-helixtrans-64-42.2178.6-68.8170.4-26.900112L379 T380 I381 I385 E386 Q387L379-Q383 HydrophobicContact CD2-CB 4.47Å; T380-Q383 WeakPolarHBondContact O-CB 3.48Å; T380-Q383 PolarHBondContact O-N 2.95Å; T380-Q383 WeakPolarHBondContact OG1-CG 3.27Å; T380-Q383 PolarHBondContact OG1-OE1 2.88Å; I381-Q383 VanDerWaalsContact C-N 3.28Å; I381-Q383 PolarHBondContact O-N 2.78Å; Q383-I385 PolarHBondContact O-N 3.31Å; Q383-E386 PolarHBondContact O-N 3.46Å; Q383-Q387 WeakPolarHBondContact O-CB 3.35Å; Q383-Q387 VanDerWaalsContact O-CG 3.25Å; Q383-Q387 WeakPolarHBondContact O-CG 2.99Å; Q383-Q387 PolarHBondContact O-N 2.75Å
384L92.8Very high81.3Confident0 Ų077 Ų770%039%0.391CS..Hα-helixtrans-64.8-36.9178.7-68173.3000112.8V369 E372 L379 T380 I381 P382 R388V369-L384 HydrophobicContact CG1-CB 3.93Å; V369-L384 HydrophobicContact CG1-CD1 4.3Å; V369-L384 HydrophobicContact CG2-CB 4.2Å; E372-L384 HydrophobicContact CB-CD1 4.17Å; E372-L384 HydrophobicContact CB-CD2 4.4Å; L379-L384 HydrophobicContact CB-CD2 3.97Å; L379-L384 HydrophobicContact CB-CG 4.11Å; L379-L384 HydrophobicContact CD1-CD2 3.72Å; T380-L384 PolarHBondContact O-N 3.4Å; T380-L384 VanDerWaalsContact O-N 3.08Å; I381-L384 HydrophobicContact CD1-CD1 4.48Å; I381-L384 PolarHBondContact O-N 3.11Å; I381-L384 VanDerWaalsContact O-N 3.17Å; P382-L384 PolarHBondContact O-N 3.44Å; L384-R388 PolarHBondContact O-NH1 2.86Å
385I93.5Very high79.1Confident0 Ų079.6 Ų79.60%042%0.417CS..Hα-helixtrans-72.4-47.9176-65.5173.2000110.4L328 F365 L366 V369 I381 P382 Q383 Q387 R388 L389L328-I385 HydrophobicContact CD1-CD1 3.78Å; L328-I385 HydrophobicContact CD2-CD1 3.88Å; L328-I385 HydrophobicContact CG-CD1 4.42Å; F365-I385 HydrophobicContact CE2-CG2 4.29Å; L366-I385 HydrophobicContact CD2-CD1 3.93Å; L366-I385 HydrophobicContact CD2-CG1 4.07Å; V369-I385 HydrophobicContact CB-CG1 4.49Å; V369-I385 HydrophobicContact CG1-CD1 4.49Å; V369-I385 HydrophobicContact CG1-CG1 3.92Å; V369-I385 HydrophobicContact CG2-CG1 3.97Å; I381-I385 HydrophobicContact CG2-CD1 3.77Å; I381-I385 HydrophobicContact CG2-CG1 4.33Å; I381-I385 WeakPolarHBondContact O-CG1 3.48Å; I381-I385 PolarHBondContact O-N 3.34Å; P382-I385 PolarHBondContact O-N 3.13Å; Q383-I385 PolarHBondContact O-N 3.31Å; I385-Q387 VanDerWaalsContact C-N 3.3Å; I385-Q387 PolarHBondContact O-N 3.26Å; I385-R388 PolarHBondContact O-N 3.2Å; I385-L389 HydrophobicContact CG2-CD1 3.72Å; I385-L389 HydrophobicContact CG2-CG 4.27Å; I385-L389 PolarHBondContact O-N 3.34Å; I385-L389 VanDerWaalsContact O-N 3.09Å
386E91.3Very high77.6Confident40 Ų4077.4 Ų77.419%0.18741%0.409CS..Hα-helixtrans-61.4-36.7-178.9-76.4-178.2-145.400112.7A301 T302 P382 Q383 R388 L389 R390A301-E386 HydrophobicContact CB-CG 4.35Å; T302-E386 HydrophobicContact CG2-CB 4.48Å; T302-E386 HydrophobicContact CG2-CG 4.04Å; P382-E386 WeakPolarHBondContact O-CB 3.21Å; P382-E386 VanDerWaalsContact O-CG 3.27Å; P382-E386 WeakPolarHBondContact O-CG 3.32Å; P382-E386 PolarHBondContact O-N 3.38Å; Q383-E386 PolarHBondContact O-N 3.46Å; E386-R388 PolarHBondContact O-N 2.98Å; E386-L389 PolarHBondContact O-N 3.37Å; E386-R390 VanDerWaalsContact O-CB 3.29Å; E386-R390 WeakPolarHBondContact O-CB 3.44Å; E386-R390 VanDerWaalsContact O-CG 3.26Å; E386-R390 WeakPolarHBondContact O-CG 3.44Å; E386-R390 PolarHBondContact O-N 2.73Å; E386-R390 IonicContact OE2-CZ 2.56Å; E386-R390 IonicContact OE2-NE 2.89Å; E386-R390 PolarHBondContact OE2-NE 2.81Å; E386-R390 IonicContact OE2-NH2 3.75Å; E386-R390 PolarHBondContact OE2-NH2 3.33Å
387Q89Confident76Confident121 Ų12181.4 Ų81.457%0.56543%0.433SS*.Hα-helixtrans-58.3-29.5175.3-79.3175.48.500113.2Q383 I385Q383-Q387 WeakPolarHBondContact O-CB 3.35Å; Q383-Q387 VanDerWaalsContact O-CG 3.25Å; Q383-Q387 WeakPolarHBondContact O-CG 2.99Å; Q383-Q387 PolarHBondContact O-N 2.75Å; I385-Q387 VanDerWaalsContact C-N 3.3Å; I385-Q387 PolarHBondContact O-N 3.26Å
388R89.3Confident74.8Confident83 Ų8376.5 Ų76.531%0.31342%0.42SS..Hα-helixtrans-90.5-32.3179.9-69.3172.9165.876.62.2113.2F365 E372 L384 I385 E386F365-R388 HydrophobicContact CD2-CB 4.28Å; F365-R388 VanDerWaalsContact CD2-CD 3.41Å; F365-R388 HydrophobicContact CD2-CG 4.5Å; F365-R388 HydrophobicContact CE2-CB 4.42Å; E372-R388 IonicContact OE1-CZ 3.18Å; E372-R388 IonicContact OE1-NH1 2.75Å; E372-R388 IonicContact OE1-NH2 3.75Å; E372-R388 PolarHBondContact OE1-NH2 3.27Å; E372-R388 IonicContact OE2-CZ 2.98Å; E372-R388 IonicContact OE2-NH1 2.72Å; E372-R388 PolarHBondContact OE2-NH1 3.05Å; E372-R388 IonicContact OE2-NH2 2.8Å; E372-R388 PolarHBondContact OE2-NH2 3.01Å; L384-R388 PolarHBondContact O-NH1 2.86Å; I385-R388 PolarHBondContact O-N 3.2Å; E386-R388 PolarHBondContact O-N 2.98Å
389L88.4Confident73.5Confident7 Ų773 Ų734%0.03741%0.413CS..Hα-helixtrans-90.8-26.7-176.4-65.5-175.9000113.8H299 T302 R304 L306 F365 I385 E386H299-L389 HydrophobicContact CB-CD1 3.75Å; T302-L389 HydrophobicContact CG2-CB 4.1Å; R304-L389 HydrophobicContact CG-CB 4.35Å; R304-L389 WeakPolarHBondContact CG-O 3.34Å; R304-L389 PolarHBondContact NH1-O 2.69Å; L306-L389 HydrophobicContact CD1-CD1 4.26Å; L306-L389 HydrophobicContact CD1-CD2 3.88Å; L306-L389 HydrophobicContact CD2-CD2 4.18Å; F365-L389 HydrophobicContact CE1-CD2 3.99Å; F365-L389 HydrophobicContact CZ-CD1 4.18Å; F365-L389 HydrophobicContact CZ-CD2 3.75Å; F365-L389 HydrophobicContact CZ-CG 4Å; I385-L389 HydrophobicContact CG2-CD1 3.72Å; I385-L389 HydrophobicContact CG2-CG 4.27Å; I385-L389 PolarHBondContact O-N 3.34Å; I385-L389 VanDerWaalsContact O-N 3.09Å; E386-L389 PolarHBondContact O-N 3.37Å
390R80.4Confident72.2Confident156 Ų15672.3 Ų72.359%0.58941%0.412SS*.SBendtrans-65.3128.5173.4-74.2-178.5-174.4-151.33.9109.2T302 E386 T392T302-R390 HydrophobicContact CG2-CG 3.99Å; E386-R390 VanDerWaalsContact O-CB 3.29Å; E386-R390 WeakPolarHBondContact O-CB 3.44Å; E386-R390 VanDerWaalsContact O-CG 3.26Å; E386-R390 WeakPolarHBondContact O-CG 3.44Å; E386-R390 PolarHBondContact O-N 2.73Å; E386-R390 IonicContact OE2-CZ 2.56Å; E386-R390 IonicContact OE2-NE 2.89Å; E386-R390 PolarHBondContact OE2-NE 2.81Å; E386-R390 IonicContact OE2-NH2 3.75Å; E386-R390 PolarHBondContact OE2-NH2 3.33Å; R390-T392 PolarHBondContact O-N 2.65Å
391P63.1Low71Confident65 Ų6576.1 Ų76.142%0.42244%0.435SS..  trans-60.8137.4178.323-30.2000110.6T393P391-T393 PolarHBondContact O-N 3.47Å
392T57.1Low70.4Confident152 Ų15280.4 Ų80.493%0.93346%0.456SS*.SBendtrans-66.7-22.4174.74.50000112.4R390R390-T392 PolarHBondContact O-N 2.65Å
393T53.7Low70.2Confident100 Ų10079.9 Ų79.961%0.61345%0.453SS*.SBendtrans-73.6133.4175.4-26.70000109.6P391 A395P391-T393 PolarHBondContact O-N 3.47Å; T393-A395 PolarHBondContact O-N 2.79Å
394P44.6Very low69.8Low107 Ų10784.3 Ų84.370%0.69547%0.466SS*.  trans-53.1137.3174.9-19.729.2000109.2I396P394-I396 PolarHBondContact O-N 3.33Å
395A44.5Very low69.8Low82 Ų8284.6 Ų84.668%0.67847%0.467SS*.  trans-42.9130.6166.600000107.7T393 D397T393-A395 PolarHBondContact O-N 2.79Å; A395-D397 VanDerWaalsContact C-N 3.29Å; A395-D397 PolarHBondContact O-N 3.35Å
396I51.7Low69.9Low94 Ų9484.6 Ų84.648%0.48247%0.467SS..  trans-55.4103.3171.4-56.3172.1000104.6P394 S398P394-I396 PolarHBondContact O-N 3.33Å; I396-S398 VanDerWaalsContact CG2-O 3.32Å; I396-S398 WeakPolarHBondContact CG2-O 3.44Å; I396-S398 CarbonylContact O-C 3.54Å; I396-S398 PolarHBondContact O-N 3.39Å
397D45.3Very low70.2Confident168 Ų16882.7 Ų82.790%0.89846%0.458SS*.SBendtrans-58.4-12.5-164.2-96.9-28.1000113.6A395A395-D397 VanDerWaalsContact C-N 3.29Å; A395-D397 PolarHBondContact O-N 3.35Å
398S49.5Very low70.5Confident68 Ų6876.9 Ų76.948%0.47643%0.431SS..SBendtrans-123.7130.3169.460.50000109I396I396-S398 VanDerWaalsContact CG2-O 3.32Å; I396-S398 WeakPolarHBondContact CG2-O 3.44Å; I396-S398 CarbonylContact O-C 3.54Å; I396-S398 PolarHBondContact O-N 3.39Å
399A53.2Low70.8Confident84 Ų8473 Ų7369%0.69442%0.416SS*.  trans-42131.3162.300000109V401A399-V401 PolarHBondContact O-N 3.38Å
400P59.3Low71Confident40 Ų4072.6 Ų72.626%0.2641%0.414SS..  trans-54.1115.4-17718.5-28.7000108.8M402P400-M402 PolarHBondContact O-N 3.32Å
401V67.5Low71.3Confident119 Ų11965.3 Ų65.372%0.72139%0.387SS*.  trans-61.7111.9176.5179.30000106.8A399A399-V401 PolarHBondContact O-N 3.38Å
402M80.7Confident72.6Confident92 Ų9262.5 Ų62.545%0.45337%0.37SS..  trans-56.7125.2179.3-78.7-73.4-80.300109.5P400 R404 I438 L721P400-M402 PolarHBondContact O-N 3.32Å; M402-R404 PolarHBondContact O-N 3.22Å; M402-I438 HydrophobicContact CE-CD1 3.92Å; M402-I438 HydrophobicContact CE-CG1 4.44Å; M402-L721 HydrophobicContact CE-CD1 4.35Å; M402-L721 HydrophobicContact SD-CB 4.21Å
403P87.7Confident74.2Confident13 Ų1355.5 Ų55.58%0.08433%0.328CS..  trans-68.7136.2-18029.6-34.2000109.1V406 I438 N480 L512 L721P403-V406 HydrophobicContact CB-CG2 3.74Å; P403-V406 HydrophobicContact CG-CG2 3.54Å; P403-I438 HydrophobicContact CG-CD1 4.13Å; P403-I438 HydrophobicContact CG-CG2 4.49Å; P403-I438 WeakPolarHBondContact O-CG1 3.22Å; P403-N480 HydrophobicContact CB-CB 4.4Å; P403-L512 HydrophobicContact CG-CD1 3.93Å; P403-L721 HydrophobicContact CG-CD2 3.94Å
404R84.3Confident75.9Confident179 Ų17951.1 Ų51.168%0.67530%0.301SS*.SBendtrans-75.1-35.7174.3-63.4179.7-179.4-161.8-5.2111.4M402 Q439 E1779M402-R404 PolarHBondContact O-N 3.22Å; R404-Q439 PolarHBondContact O-N 3.1Å; R404-E1779 IonicContact NH1-OE1 3.55Å; R404-E1779 IonicContact NH2-OE1 2.77Å
405K91Very high78.1Confident6 Ų647.1 Ų47.13%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-138.8132.1-178.5-175.1-173.8-68.3-174.70111Q439 V441 E477 P479 N480 G481 D1811K405-Q439 CarbonylContact C-O 3.5Å; K405-Q439 VanDerWaalsContact CA-O 3.25Å; K405-Q439 WeakPolarHBondContact CA-O 3.5Å; K405-Q439 HydrophobicContact CB-CB 4.26Å; K405-Q439 HydrophobicContact CG-CB 4.22Å; K405-Q439 HydrophobicContact CG-CG 4.41Å; K405-V441 HydrophobicContact CD-CG2 3.79Å; K405-V441 HydrophobicContact CG-CG2 4Å; K405-E477 HydrophobicContact CD-CB 4.45Å; K405-E477 VanDerWaalsContact CD-O 3.29Å; K405-E477 WeakPolarHBondContact CD-O 3.21Å; K405-E477 PolarHBondContact NZ-O 2.83Å; K405-E477 IonicContact NZ-OE2 2.74Å; K405-E477 PolarHBondContact NZ-OE2 3.48Å; K405-P479 HydrophobicContact CD-CB 4.44Å; K405-P479 HydrophobicContact CG-CB 4.36Å; K405-N480 PolarHBondContact O-N 3.35Å; K405-G481 PolarHBondContact O-N 3.23Å; K405-D1811 IonicContact NZ-OD2 2.62Å; K405-D1811 PolarHBondContact NZ-OD2 3.15Å
406V96Very high80Confident0 Ų043.4 Ų43.40%024%0.244CC..EExtended strand (participates in β ladder)trans-120.8131.1-179.2173.90000110.7P403 I408 M433 I438 Q439 V441 G481 L483 L512P403-V406 HydrophobicContact CB-CG2 3.74Å; P403-V406 HydrophobicContact CG-CG2 3.54Å; V406-I408 HydrophobicContact CG1-CG1 4.25Å; V406-M433 HydrophobicContact CB-SD 4.42Å; V406-M433 HydrophobicContact CG1-SD 4.43Å; V406-M433 HydrophobicContact CG2-SD 4.17Å; V406-I438 HydrophobicContact CB-CG2 4.11Å; V406-I438 HydrophobicContact CG2-CG2 3.6Å; V406-Q439 PolarHBondContact N-O 3.38Å; V406-V441 PolarHBondContact O-N 2.9Å; V406-G481 CarbonylContact C-O 3.57Å; V406-G481 WeakPolarHBondContact CA-O 3.49Å; V406-L483 HydrophobicContact CG1-CD1 3.8Å; V406-L483 HydrophobicContact CG1-CG 3.81Å; V406-L512 HydrophobicContact CG1-CD1 4.11Å; V406-L512 HydrophobicContact CG2-CD1 3.63Å
407L97.5Very high81.3Confident0 Ų039.4 Ų39.40%023%0.226CC..EExtended strand (participates in β ladder)trans-86.8131.2169.7175.964.3000110.1L409 V441 I443 V470 V473 I474 P479 G481 V482 L483L407-L409 HydrophobicContact CD1-CD2 4.28Å; L407-L409 HydrophobicContact CD2-CD2 4.14Å; L407-L409 HydrophobicContact CG-CD2 4.11Å; L407-V441 CarbonylContact C-O 3.55Å; L407-V441 WeakPolarHBondContact CA-O 3.31Å; L407-V441 HydrophobicContact CD1-CB 4.31Å; L407-V441 HydrophobicContact CD1-CG1 4.04Å; L407-I443 HydrophobicContact CD1-CD1 3.79Å; L407-I443 HydrophobicContact CD1-CG1 3.88Å; L407-V470 HydrophobicContact CD2-CG1 4.05Å; L407-V473 HydrophobicContact CD1-CG1 4.34Å; L407-I474 HydrophobicContact CD2-CD1 4.02Å; L407-I474 HydrophobicContact CD2-CG1 3.67Å; L407-P479 HydrophobicContact CB-CB 3.93Å; L407-P479 HydrophobicContact CB-CG 3.9Å; L407-P479 HydrophobicContact CD2-CG 4.45Å; L407-G481 PolarHBondContact N-O 3.42Å; L407-V482 HydrophobicContact CB-CB 4.32Å; L407-V482 HydrophobicContact CB-CG2 4.14Å; L407-V482 HydrophobicContact CD2-CG2 4.1Å; L407-V482 HydrophobicContact CG-CG2 4.12Å; L407-V482 CarbonylContact O-C 3.48Å; L407-V482 VanDerWaalsContact O-CA 3.26Å; L407-V482 WeakPolarHBondContact O-CA 3.46Å; L407-L483 PolarHBondContact O-N 3.48Å
408I96.6Very high82.8Confident0 Ų031.8 Ų31.80%019%0.185CC..EExtended strand (participates in β ladder)trans-118.3126.5174.1-57.9175.9000107.2V406 A429 I430 V441 L442 I443 L483V406-I408 HydrophobicContact CG1-CG1 4.25Å; I408-A429 HydrophobicContact CD1-CB 4.35Å; I408-I430 HydrophobicContact CD1-CG1 3.6Å; I408-V441 PolarHBondContact N-O 3.39Å; I408-L442 HydrophobicContact CB-CD1 4.21Å; I408-L442 HydrophobicContact CG2-CD1 4.04Å; I408-L442 WeakPolarHBondContact O-CA 3.16Å; I408-I443 PolarHBondContact O-N 3.06Å; I408-L483 HydrophobicContact CD1-CD1 4.27Å; I408-L483 HydrophobicContact CG1-CB 4.4Å; I408-L483 HydrophobicContact CG1-CD1 4.1Å
409L95Very high83.9Confident0 Ų028.8 Ų28.80%016%0.164CC..EExtended strand (participates in β ladder)trans-93.7123.1172.1-57.9-173.4000108.3L407 I443 L465 V470 L484 G487 A491 C494L407-L409 HydrophobicContact CD1-CD2 4.28Å; L407-L409 HydrophobicContact CD2-CD2 4.14Å; L407-L409 HydrophobicContact CG-CD2 4.11Å; L409-I443 HydrophobicContact CD2-CB 4.34Å; L409-I443 HydrophobicContact CD2-CD1 3.94Å; L409-I443 HydrophobicContact CD2-CG1 4.46Å; L409-L465 HydrophobicContact CB-CD2 4.16Å; L409-L465 HydrophobicContact CD2-CD2 4.19Å; L409-V470 HydrophobicContact CD2-CG1 3.9Å; L409-V470 HydrophobicContact CD2-CG2 3.96Å; L409-L484 HydrophobicContact CD1-CD2 3.73Å; L409-L484 HydrophobicContact CG-CD2 4.37Å; L409-G487 VanDerWaalsContact O-CA 3.31Å; L409-G487 WeakPolarHBondContact O-CA 3.47Å; L409-A491 HydrophobicContact CB-CB 3.66Å; L409-C494 HydrophobicContact CD1-CB 4.38Å
410G92.2Very high85.4Confident0 Ų024.8 Ų24.80%013%0.131CC..  trans-76.8-170.5175.400000113I443 L465G410-I443 PolarHBondContact N-O 3.08Å; G410-L465 WeakPolarHBondContact O-CD1 3.19Å
411S87.9Confident86.7Confident3 Ų323.2 Ų23.22%0.02112%0.12CC..  trans-84.9-28.3-179.944.90000114.3Q418 D423 G487 T490S411-Q418 VanDerWaalsContact CA-NE2 3.31Å; S411-Q418 PolarHBondContact O-NE2 3.46Å; S411-D423 PolarHBondContact OG-OD1 3.12Å; S411-G487 WeakPolarHBondContact CA-O 3.27Å; S411-T490 WeakPolarHBondContact O-CB 3.35Å
412G90.5Very high87.8Confident5 Ų517.6 Ų17.65%0.0529%0.086CC..  trans79.5-166.6-163.800000111.5N444 N446G412-N444 WeakPolarHBondContact CA-OD1 3.22Å; G412-N444 PolarHBondContact N-OD1 3.13Å; G412-N446 WeakPolarHBondContact O-CB 3.35Å
413G89.7Confident88.1Confident6 Ų613.3 Ų13.36%0.0627%0.065CC..SBendtrans-63.5142.5-176.200000112.9S415 V1302G413-S415 PolarHBondContact O-N 3.24Å; G413-V1302 VanDerWaalsContact CA-CG1 3.45Å
414L89.9Confident88.2Confident7 Ų712.9 Ų12.94%0.0376%0.062CC..  trans-64.8127.8-179.7-79.972000111.6N446 S962 V963 Q1279 T1299 G1300L414-N446 WeakPolarHBondContact CD1-ND2 3.44Å; L414-S962 VanDerWaalsContact CD2-OG 3.26Å; L414-S962 WeakPolarHBondContact CD2-OG 3.39Å; L414-V963 HydrophobicContact CD1-CG1 4.23Å; L414-V963 HydrophobicContact CD1-CG2 3.88Å; L414-V963 HydrophobicContact CD2-CB 4.5Å; L414-V963 HydrophobicContact CD2-CG1 3.65Å; L414-V963 HydrophobicContact CD2-CG2 4.08Å; L414-Q1279 WeakPolarHBondContact O-CG 3.48Å; L414-T1299 CarbonylContact O-C 3.45Å; L414-T1299 PolarHBondContact O-OG1 2.96Å; L414-G1300 PolarHBondContact O-N 3.14Å
415S89.3Confident88.6Confident24 Ų244.4 Ų4.417%0.1683%0.03CC..BIsolated β-bridgetrans-138.5160.817764.70000110.8G413 G417 Q418 S1281G413-S415 PolarHBondContact O-N 3.24Å; S415-G417 PolarHBondContact O-N 3.09Å; S415-Q418 PolarHBondContact N-O 3.06Å; S415-Q418 CarbonylContact O-C 3.57Å; S415-Q418 WeakPolarHBondContact O-CA 3.26Å; S415-Q418 PolarHBondContact O-N 3.16Å; S415-S1281 WeakPolarHBondContact CA-OG 3.49Å
416I85.7Confident88.7Confident4 Ų44.1 Ų4.12%0.0213%0.029CC..THydrogen-bonded Turntrans-61.2123.1176.1-67.9169.6000109.2M770 V773 S1281 R1284 L1285 T1299I416-M770 HydrophobicContact CG2-CB 4.29Å; I416-M770 VanDerWaalsContact CG2-O 3.3Å; I416-M770 WeakPolarHBondContact CG2-O 3.36Å; I416-V773 HydrophobicContact CD1-CG1 4.08Å; I416-V773 HydrophobicContact CG1-CG1 4Å; I416-S1281 PolarHBondContact N-OG 2.86Å; I416-R1284 HydrophobicContact CB-CB 4.17Å; I416-R1284 HydrophobicContact CB-CG 3.95Å; I416-R1284 HydrophobicContact CD1-CB 4.23Å; I416-R1284 HydrophobicContact CG2-CB 4.09Å; I416-R1284 HydrophobicContact CG2-CG 3.99Å; I416-R1284 PolarHBondContact O-NE 3.29Å; I416-L1285 HydrophobicContact CD1-CD1 4.29Å; I416-L1285 HydrophobicContact CD1-CD2 3.96Å; I416-L1285 HydrophobicContact CD1-CG 4.06Å; I416-T1299 HydrophobicContact CG1-CG2 4.31Å
417G77.9Confident88.5Confident9 Ų94.2 Ų4.29%0.0933%0.029CC..THydrogen-bonded Turntrans94.8-8.6-172.600000114.6S415 L570S415-G417 PolarHBondContact O-N 3.09Å; G417-L570 WeakPolarHBondContact O-CD1 3.26Å
418Q78.3Confident88.3Confident9 Ų94.4 Ų4.44%0.0423%0.03CC..BIsolated β-bridgetrans-142.686175.4-172.2175.59.800109.4S411 S415 F422 G487 T490 L570S411-Q418 VanDerWaalsContact CA-NE2 3.31Å; S411-Q418 PolarHBondContact O-NE2 3.46Å; S415-Q418 PolarHBondContact N-O 3.06Å; S415-Q418 CarbonylContact O-C 3.57Å; S415-Q418 WeakPolarHBondContact O-CA 3.26Å; S415-Q418 PolarHBondContact O-N 3.16Å; Q418-F422 HydrophobicContact CG-CD2 3.77Å; Q418-F422 HydrophobicContact CG-CE2 3.97Å; Q418-G487 PolarHBondContact NE2-O 3.17Å; Q418-T490 PolarHBondContact NE2-OG1 2.94Å; Q418-T490 PolarHBondContact OE1-OG1 2.91Å; Q418-L570 HydrophobicContact CB-CD1 4.46Å; Q418-L570 HydrophobicContact CB-CD2 3.85Å
419A72.2Confident88.1Confident4 Ų44.4 Ų4.43%0.0333%0.03CC..  trans-102.7-155.7-172.200000111.8E421 E991A419-E421 VanDerWaalsContact C-N 3.28Å; A419-E421 WeakPolarHBondContact CA-OE2 3.29Å; A419-E421 WeakPolarHBondContact CB-OE2 3.25Å; A419-E421 PolarHBondContact N-OE2 3.37Å; A419-E421 VanDerWaalsContact N-OE2 3.15Å; A419-E421 PolarHBondContact O-N 2.68Å; A419-E991 WeakPolarHBondContact CB-OE1 3.48Å
420G83.5Confident88.1Confident0 Ų04.4 Ų4.40%03%0.03CC..THydrogen-bonded Turntrans-75.4-6.9-173.500000115.4F422 D423 Y424 E991G420-F422 PolarHBondContact O-N 3.49Å; G420-D423 WeakPolarHBondContact O-CB 3.39Å; G420-D423 PolarHBondContact O-N 3.38Å; G420-Y424 PolarHBondContact O-N 3.38Å; G420-E991 CarbonylContact C-O 3.16Å
421E87Confident88.1Confident7 Ų76.4 Ų6.43%0.0334%0.039CC..Hα-helixtrans-58-31.8177.670.8-82.8-159.700112.7A419 S425 R699 A702A419-E421 VanDerWaalsContact C-N 3.28Å; A419-E421 WeakPolarHBondContact CA-OE2 3.29Å; A419-E421 WeakPolarHBondContact CB-OE2 3.25Å; A419-E421 PolarHBondContact N-OE2 3.37Å; A419-E421 VanDerWaalsContact N-OE2 3.15Å; A419-E421 PolarHBondContact O-N 2.68Å; E421-S425 WeakPolarHBondContact O-CB 3.39Å; E421-S425 PolarHBondContact O-N 3.34Å; E421-S425 PolarHBondContact O-OG 3.1Å; E421-R699 HydrophobicContact CG-CB 4.39Å; E421-A702 HydrophobicContact CB-CB 3.87Å
422F90.2Very high88.3Confident1 Ų16.3 Ų6.30%0.0044%0.038CC..Hα-helixtrans-78.6-29.7177.8-61.3-58.6000113.1Q418 G420 S425 G426 G488 L697Q418-F422 HydrophobicContact CG-CD2 3.77Å; Q418-F422 HydrophobicContact CG-CE2 3.97Å; G420-F422 PolarHBondContact O-N 3.49Å; F422-S425 WeakPolarHBondContact CA-OG 3.28Å; F422-S425 PolarHBondContact O-OG 3.18Å; F422-G426 PolarHBondContact O-N 3.16Å; F422-G488 VanDerWaalsContact CD1-CA 3.44Å; F422-G488 VanDerWaalsContact CZ-CA 3.48Å; F422-L697 VanDerWaalsContact CE1-O 3.25Å; F422-L697 WeakPolarHBondContact CE1-O 3.47Å
423D88.2Confident88.5Confident3 Ų36 Ų62%0.0164%0.036CC..Hα-helixtrans-70.1-41.2173-74.8-29.2000110.8S411 G420 S427 N444 N446 T449S411-D423 PolarHBondContact OG-OD1 3.12Å; G420-D423 WeakPolarHBondContact O-CB 3.39Å; G420-D423 PolarHBondContact O-N 3.38Å; D423-S427 WeakPolarHBondContact O-CB 3.37Å; D423-S427 PolarHBondContact O-N 2.97Å; D423-S427 VanDerWaalsContact O-N 3.11Å; D423-S427 PolarHBondContact O-OG 3.37Å; D423-N444 PolarHBondContact OD1-ND2 3.25Å; D423-N446 PolarHBondContact OD1-ND2 3.31Å; D423-N446 PolarHBondContact OD2-ND2 2.88Å; D423-T449 VanDerWaalsContact CB-OG1 3.23Å; D423-T449 WeakPolarHBondContact CB-OG1 3.4Å; D423-T449 VanDerWaalsContact CG-CB 3.46Å; D423-T449 VanDerWaalsContact CG-OG1 3.29Å; D423-T449 WeakPolarHBondContact OD2-CB 3.37Å
424Y89.8Confident88.4Confident3 Ų311.4 Ų11.41%0.0125%0.054CC..Hα-helixtrans-60.9-57.7171.1157.5-106.3000111.7G420 G426 S427 Q428 A702 S705 A713 D996G420-Y424 PolarHBondContact O-N 3.38Å; Y424-G426 VanDerWaalsContact C-N 3.32Å; Y424-G426 PolarHBondContact O-N 2.83Å; Y424-S427 WeakPolarHBondContact O-CA 3.4Å; Y424-S427 WeakPolarHBondContact O-CB 3.39Å; Y424-S427 PolarHBondContact O-N 3.17Å; Y424-Q428 HydrophobicContact CD2-CG 4.18Å; Y424-Q428 HydrophobicContact CE2-CG 3.56Å; Y424-Q428 PolarHBondContact O-N 3.39Å; Y424-A702 HydrophobicContact CD1-CB 4.3Å; Y424-S705 PolarHBondContact OH-OG 3.36Å; Y424-A713 HydrophobicContact CE1-CB 4.3Å; Y424-D996 HydrophobicContact CE2-CB 4.42Å
425S92.1Very high88.4Confident1 Ų115.5 Ų15.51%0.0077%0.073CC..Hα-helixtrans-65-37.2-175.256.50000112.3E421 F422 S427 Q428 A429 F486E421-S425 WeakPolarHBondContact O-CB 3.39Å; E421-S425 PolarHBondContact O-N 3.34Å; E421-S425 PolarHBondContact O-OG 3.1Å; F422-S425 WeakPolarHBondContact CA-OG 3.28Å; F422-S425 PolarHBondContact O-OG 3.18Å; S425-S427 VanDerWaalsContact C-N 3.31Å; S425-S427 PolarHBondContact O-N 3.41Å; S425-Q428 PolarHBondContact O-N 2.84Å; S425-A429 PolarHBondContact O-N 2.84Å; S425-F486 PolarHBondContact OG-O 2.97Å
426G92.4Very high88.3Confident0 Ų015.8 Ų15.80%08%0.075CC..Hα-helixtrans-62.8-33.8171.600000113.7F422 Y424 I430 Q451F422-G426 PolarHBondContact O-N 3.16Å; Y424-G426 VanDerWaalsContact C-N 3.32Å; Y424-G426 PolarHBondContact O-N 2.83Å; G426-I430 WeakPolarHBondContact O-CD1 3.39Å; G426-I430 VanDerWaalsContact O-CG1 3.28Å; G426-I430 WeakPolarHBondContact O-CG1 3.45Å; G426-I430 PolarHBondContact O-N 3.47Å; G426-Q451 VanDerWaalsContact CA-NE2 3.32Å
427S93Very high88.3Confident2 Ų223 Ų231%0.01411%0.113CC..Hα-helixtrans-68.4-41.2173.6-61.10000111.8D423 Y424 S425 I430 K431 Q451D423-S427 WeakPolarHBondContact O-CB 3.37Å; D423-S427 PolarHBondContact O-N 2.97Å; D423-S427 VanDerWaalsContact O-N 3.11Å; D423-S427 PolarHBondContact O-OG 3.37Å; Y424-S427 WeakPolarHBondContact O-CA 3.4Å; Y424-S427 WeakPolarHBondContact O-CB 3.39Å; Y424-S427 PolarHBondContact O-N 3.17Å; S425-S427 VanDerWaalsContact C-N 3.31Å; S425-S427 PolarHBondContact O-N 3.41Å; S427-I430 PolarHBondContact O-N 2.97Å; S427-K431 PolarHBondContact O-N 2.87Å; S427-K431 VanDerWaalsContact O-N 3.09Å; S427-Q451 WeakPolarHBondContact OG-CA 3.34Å
428Q92.6Very high88.9Confident5 Ų522.8 Ų22.82%0.02311%0.11CC..Hα-helixtrans-63.3-41.4174.6-69.2-52.8-59.800112.5Y424 S425 I430 K431 A432 A713 D996Y424-Q428 HydrophobicContact CD2-CG 4.18Å; Y424-Q428 HydrophobicContact CE2-CG 3.56Å; Y424-Q428 PolarHBondContact O-N 3.39Å; S425-Q428 PolarHBondContact O-N 2.84Å; Q428-I430 VanDerWaalsContact C-N 3.35Å; Q428-I430 PolarHBondContact O-N 2.89Å; Q428-K431 PolarHBondContact O-N 2.81Å; Q428-A432 PolarHBondContact O-N 3.14Å; Q428-A713 HydrophobicContact CB-CB 3.69Å; Q428-A713 HydrophobicContact CG-CB 4.04Å; Q428-D996 VanDerWaalsContact CD-OD2 3.26Å; Q428-D996 PolarHBondContact NE2-OD2 2.9Å
429A93.7Very high89.4Confident0 Ų023.9 Ų23.90%012%0.115CC..Hα-helixtrans-59.8-45.6175.700000111.6I408 S425 K431 A432 M433 L483 F486 A717I408-A429 HydrophobicContact CD1-CB 4.35Å; S425-A429 PolarHBondContact O-N 2.84Å; A429-K431 VanDerWaalsContact C-N 3.33Å; A429-K431 PolarHBondContact O-N 2.91Å; A429-A432 PolarHBondContact O-N 3.49Å; A429-M433 WeakPolarHBondContact O-CG 3.46Å; A429-M433 PolarHBondContact O-N 3.42Å; A429-L483 HydrophobicContact CB-CD1 4.5Å; A429-F486 HydrophobicContact CB-CD1 3.72Å; A429-F486 HydrophobicContact CB-CD2 4.17Å; A429-F486 HydrophobicContact CB-CE1 3.89Å; A429-F486 HydrophobicContact CB-CE2 4.33Å; A429-F486 HydrophobicContact CB-CG 3.86Å; A429-F486 HydrophobicContact CB-CZ 4.19Å; A429-A717 HydrophobicContact CB-CB 4.08Å
430I94.4Very high90.5Very high0 Ų023.7 Ų23.70%011%0.114CC..Hα-helixtrans-59.4-44.9177-68160.3000111.2I408 G426 S427 Q428 M433 R434 T440 L442 Q451 M456 A457I408-I430 HydrophobicContact CD1-CG1 3.6Å; G426-I430 WeakPolarHBondContact O-CD1 3.39Å; G426-I430 VanDerWaalsContact O-CG1 3.28Å; G426-I430 WeakPolarHBondContact O-CG1 3.45Å; G426-I430 PolarHBondContact O-N 3.47Å; S427-I430 PolarHBondContact O-N 2.97Å; Q428-I430 VanDerWaalsContact C-N 3.35Å; Q428-I430 PolarHBondContact O-N 2.89Å; I430-M433 PolarHBondContact O-N 2.77Å; I430-R434 HydrophobicContact CG2-CG 4.47Å; I430-R434 WeakPolarHBondContact O-CG 3.44Å; I430-R434 PolarHBondContact O-N 3.18Å; I430-T440 HydrophobicContact CG2-CG2 4.36Å; I430-L442 HydrophobicContact CD1-CD2 4.19Å; I430-Q451 HydrophobicContact CD1-CG 3.78Å; I430-M456 HydrophobicContact CB-CG 4.41Å; I430-M456 HydrophobicContact CD1-CG 3.96Å; I430-M456 VanDerWaalsContact CG2-C 3.5Å; I430-M456 HydrophobicContact CG2-CG 4.02Å; I430-M456 WeakPolarHBondContact CG2-O 3.38Å; I430-M456 HydrophobicContact CG2-SD 4.42Å; I430-A457 HydrophobicContact CD1-CB 4.08Å; I430-A457 HydrophobicContact CG1-CB 4.47Å; I430-A457 HydrophobicContact CG2-CB 4.34Å
431K91.8Very high91Very high42 Ų4223.7 Ų23.718%0.18311%0.114CC..Hα-helixtrans-59.7-49.2177.3-176.7-175.2170.3-168.40111.6S427 Q428 A429 M433 R434 E435 Y997 D998S427-K431 PolarHBondContact O-N 2.87Å; S427-K431 VanDerWaalsContact O-N 3.09Å; Q428-K431 PolarHBondContact O-N 2.81Å; A429-K431 VanDerWaalsContact C-N 3.33Å; A429-K431 PolarHBondContact O-N 2.91Å; K431-M433 VanDerWaalsContact C-N 3.32Å; K431-M433 PolarHBondContact O-N 3.41Å; K431-R434 PolarHBondContact O-N 3.37Å; K431-E435 VanDerWaalsContact CE-OE1 3.25Å; K431-E435 WeakPolarHBondContact CE-OE1 3.16Å; K431-E435 PolarHBondContact O-N 3.48Å; K431-Y997 PolarHBondContact NZ-OH 2.68Å; K431-D998 WeakPolarHBondContact CE-OD2 3.46Å; K431-D998 IonicContact NZ-OD1 3.76Å; K431-D998 IonicContact NZ-OD2 2.77Å; K431-D998 PolarHBondContact NZ-OD2 3.3Å
432A92.4Very high91.5Very high0 Ų023.4 Ų23.40%011%0.112CC..Hα-helixtrans-58.4-41.9178.600000112.4Q428 A429 S436 Y714 A717 K718Q428-A432 PolarHBondContact O-N 3.14Å; A429-A432 PolarHBondContact O-N 3.49Å; A432-S436 PolarHBondContact O-N 3.05Å; A432-S436 PolarHBondContact O-OG 3.12Å; A432-Y714 HydrophobicContact CB-CD2 3.75Å; A432-Y714 HydrophobicContact CB-CE2 3.95Å; A432-A717 HydrophobicContact CB-CB 3.61Å; A432-K718 HydrophobicContact CB-CD 4.13Å; A432-K718 HydrophobicContact CB-CG 4.25Å; A432-K718 PolarHBondContact O-NZ 3.09Å
433M93.9Very high91.9Very high0 Ų023.3 Ų23.30%011%0.112CC..Hα-helixtrans-64.7-43.8176.5-65.5-64.1126.700111.9V406 A429 I430 K431 S436 N437 I438 T440 L483 A717 L721V406-M433 HydrophobicContact CB-SD 4.42Å; V406-M433 HydrophobicContact CG1-SD 4.43Å; V406-M433 HydrophobicContact CG2-SD 4.17Å; A429-M433 WeakPolarHBondContact O-CG 3.46Å; A429-M433 PolarHBondContact O-N 3.42Å; I430-M433 PolarHBondContact O-N 2.77Å; K431-M433 VanDerWaalsContact C-N 3.32Å; K431-M433 PolarHBondContact O-N 3.41Å; M433-S436 CarbonylContact O-C 3.54Å; M433-S436 WeakPolarHBondContact O-CA 3.28Å; M433-S436 WeakPolarHBondContact O-CB 3.45Å; M433-S436 PolarHBondContact O-N 2.99Å; M433-S436 VanDerWaalsContact O-N 3.09Å; M433-N437 PolarHBondContact O-N 2.75Å; M433-I438 HydrophobicContact CB-CB 4.21Å; M433-I438 HydrophobicContact CB-CG2 4.49Å; M433-I438 WeakPolarHBondContact O-CB 3.23Å; M433-I438 PolarHBondContact O-N 3.27Å; M433-I438 HydrophobicContact SD-CD1 3.97Å; M433-I438 HydrophobicContact SD-CG2 4.38Å; M433-T440 HydrophobicContact CB-CG2 3.49Å; M433-T440 VanDerWaalsContact CB-CG2 3.49Å; M433-T440 HydrophobicContact CG-CG2 4.13Å; M433-L483 HydrophobicContact CE-CD1 3.77Å; M433-L483 HydrophobicContact CG-CD1 4.36Å; M433-L483 HydrophobicContact SD-CD1 4.19Å; M433-A717 HydrophobicContact CE-CB 4.08Å; M433-A717 WeakPolarHBondContact CE-O 3.28Å; M433-L721 HydrophobicContact CE-CD1 3.93Å; M433-L721 HydrophobicContact CE-CD2 3.83Å; M433-L721 HydrophobicContact CE-CG 3.77Å; M433-L721 HydrophobicContact SD-CD1 4.24Å; M433-L721 HydrophobicContact SD-CD2 3.79Å; M433-L721 HydrophobicContact SD-CG 4.28Å
434R89.4Confident92.2Very high118 Ų11823.2 Ų23.245%0.44511%0.111SC..Hα-helixtrans-66.9-41.1-178-77.7-175.963.5-170.20.5113.5I430 K431 S436 N437 T440 G455 M456I430-R434 HydrophobicContact CG2-CG 4.47Å; I430-R434 WeakPolarHBondContact O-CG 3.44Å; I430-R434 PolarHBondContact O-N 3.18Å; K431-R434 PolarHBondContact O-N 3.37Å; R434-S436 PolarHBondContact O-N 2.67Å; R434-N437 WeakPolarHBondContact O-CA 3.48Å; R434-N437 PolarHBondContact O-N 3.44Å; R434-T440 HydrophobicContact CG-CG2 4.48Å; R434-G455 PolarHBondContact NH1-O 3.49Å; R434-M456 WeakPolarHBondContact CD-O 3.36Å; R434-M456 PolarHBondContact NH1-O 3.31Å
435E88.9Confident92.5Very high93 Ų9323.1 Ų23.144%0.43511%0.111SC..Hα-helixtrans-61.2-26.3172.7-72.6173.4-174.400112.6K431 N437 Y714 K718K431-E435 VanDerWaalsContact CE-OE1 3.25Å; K431-E435 WeakPolarHBondContact CE-OE1 3.16Å; K431-E435 PolarHBondContact O-N 3.48Å; E435-N437 VanDerWaalsContact C-N 3.27Å; E435-Y714 VanDerWaalsContact OE2-CE2 3.26Å; E435-Y714 WeakPolarHBondContact OE2-CE2 3.28Å; E435-Y714 PolarHBondContact OE2-OH 3.46Å; E435-K718 IonicContact OE2-NZ 3.78Å; E435-K718 PolarHBondContact OE2-NZ 2.62Å; E435-K718 VanDerWaalsContact OE2-NZ 3.16Å
436S87.9Confident92.7Very high30 Ų3023 Ų2321%0.2111%0.111CC..THydrogen-bonded Turntrans-87.310.2173.5-66.20000113.2A432 M433 R434 I438 K718A432-S436 PolarHBondContact O-N 3.05Å; A432-S436 PolarHBondContact O-OG 3.12Å; M433-S436 CarbonylContact O-C 3.54Å; M433-S436 WeakPolarHBondContact O-CA 3.28Å; M433-S436 WeakPolarHBondContact O-CB 3.45Å; M433-S436 PolarHBondContact O-N 2.99Å; M433-S436 VanDerWaalsContact O-N 3.09Å; R434-S436 PolarHBondContact O-N 2.67Å; S436-I438 VanDerWaalsContact C-N 3.26Å; S436-I438 PolarHBondContact O-N 3.22Å; S436-K718 PolarHBondContact OG-NZ 2.82Å
437N84.5Confident92.8Very high155 Ų15523 Ų2383%0.82911%0.111SC*.THydrogen-bonded Turntrans57.332.9-177.3-59.9-61.6000114.2M433 R434 E435M433-N437 PolarHBondContact O-N 2.75Å; R434-N437 WeakPolarHBondContact O-CA 3.48Å; R434-N437 PolarHBondContact O-N 3.44Å; E435-N437 VanDerWaalsContact C-N 3.27Å
438I90.7Very high92.8Very high6 Ų623 Ų233%0.03111%0.11CC..  trans-98.6130.4178.5-59.6170.5000109.1M402 P403 V406 M433 S436 L721M402-I438 HydrophobicContact CE-CD1 3.92Å; M402-I438 HydrophobicContact CE-CG1 4.44Å; P403-I438 HydrophobicContact CG-CD1 4.13Å; P403-I438 HydrophobicContact CG-CG2 4.49Å; P403-I438 WeakPolarHBondContact O-CG1 3.22Å; V406-I438 HydrophobicContact CB-CG2 4.11Å; V406-I438 HydrophobicContact CG2-CG2 3.6Å; M433-I438 HydrophobicContact CB-CB 4.21Å; M433-I438 HydrophobicContact CB-CG2 4.49Å; M433-I438 WeakPolarHBondContact O-CB 3.23Å; M433-I438 PolarHBondContact O-N 3.27Å; M433-I438 HydrophobicContact SD-CD1 3.97Å; M433-I438 HydrophobicContact SD-CG2 4.38Å; S436-I438 VanDerWaalsContact C-N 3.26Å; S436-I438 PolarHBondContact O-N 3.22Å; I438-L721 HydrophobicContact CD1-CD1 3.62Å; I438-L721 HydrophobicContact CD1-CD2 3.44Å; I438-L721 VanDerWaalsContact CD1-CD2 3.44Å; I438-L721 HydrophobicContact CD1-CG 4.19Å
439Q88.9Confident92.8Very high32 Ų3222.9 Ų22.915%0.1511%0.11CC..EExtended strand (participates in β ladder)trans-71.8135.4176.4-169.71791500110.8R404 K405 V406 D458R404-Q439 PolarHBondContact O-N 3.1Å; K405-Q439 CarbonylContact C-O 3.5Å; K405-Q439 VanDerWaalsContact CA-O 3.25Å; K405-Q439 WeakPolarHBondContact CA-O 3.5Å; K405-Q439 HydrophobicContact CB-CB 4.26Å; K405-Q439 HydrophobicContact CG-CB 4.22Å; K405-Q439 HydrophobicContact CG-CG 4.41Å; V406-Q439 PolarHBondContact N-O 3.38Å; Q439-D458 WeakPolarHBondContact CA-OD2 3.23Å; Q439-D458 HydrophobicContact CG-CB 3.88Å
440T94.5Very high92.8Very high0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-113.2127.8-174.552.80000111.9I430 M433 R434 A457 D458 K459I430-T440 HydrophobicContact CG2-CG2 4.36Å; M433-T440 HydrophobicContact CB-CG2 3.49Å; M433-T440 VanDerWaalsContact CB-CG2 3.49Å; M433-T440 HydrophobicContact CG-CG2 4.13Å; R434-T440 HydrophobicContact CG-CG2 4.48Å; T440-A457 WeakPolarHBondContact OG1-CA 3.5Å; T440-D458 PolarHBondContact N-OD2 2.81Å; T440-D458 WeakPolarHBondContact O-CB 3.39Å; T440-D458 PolarHBondContact O-N 2.68Å; T440-D458 PolarHBondContact OG1-N 2.69Å; T440-D458 VanDerWaalsContact OG1-N 3.07Å; T440-D458 PolarHBondContact OG1-OD2 3.08Å; T440-K459 PolarHBondContact O-N 3.17Å; T440-K459 VanDerWaalsContact O-N 3.15Å
441V95.8Very high92.7Very high0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-114.6118.4170.6-1790000108K405 V406 L407 I408 K459 Y461 V473 E477K405-V441 HydrophobicContact CD-CG2 3.79Å; K405-V441 HydrophobicContact CG-CG2 4Å; V406-V441 PolarHBondContact O-N 2.9Å; L407-V441 CarbonylContact C-O 3.55Å; L407-V441 WeakPolarHBondContact CA-O 3.31Å; L407-V441 HydrophobicContact CD1-CB 4.31Å; L407-V441 HydrophobicContact CD1-CG1 4.04Å; I408-V441 PolarHBondContact N-O 3.39Å; V441-K459 CarbonylContact C-O 3.51Å; V441-K459 WeakPolarHBondContact CA-O 3.45Å; V441-K459 HydrophobicContact CG2-CB 4.44Å; V441-Y461 HydrophobicContact CG1-CD2 3.85Å; V441-Y461 HydrophobicContact CG1-CE2 3.88Å; V441-V473 HydrophobicContact CG1-CG1 3.93Å; V441-E477 HydrophobicContact CG1-CG 4.19Å; V441-E477 HydrophobicContact CG2-CB 4.27Å; V441-E477 HydrophobicContact CG2-CG 4.28Å
442L97Very high92.8Very high0 Ų021 Ų210%010%0.102CC..EExtended strand (participates in β ladder)trans-104.4136.3177175.464.8000110I408 I430 N444 Q451 T452 A457 K459 C460 Y461I408-L442 HydrophobicContact CB-CD1 4.21Å; I408-L442 HydrophobicContact CG2-CD1 4.04Å; I408-L442 WeakPolarHBondContact O-CA 3.16Å; I430-L442 HydrophobicContact CD1-CD2 4.19Å; L442-N444 HydrophobicContact CD1-CB 4.16Å; L442-N444 HydrophobicContact CD2-CB 4.31Å; L442-N444 HydrophobicContact CG-CB 4.13Å; L442-Q451 HydrophobicContact CD1-CG 4.44Å; L442-Q451 VanDerWaalsContact CD1-NE2 3.33Å; L442-Q451 HydrophobicContact CD2-CB 4.37Å; L442-Q451 HydrophobicContact CD2-CG 3.68Å; L442-Q451 WeakPolarHBondContact CD2-O 3.39Å; L442-T452 HydrophobicContact CD2-CG2 3.96Å; L442-A457 HydrophobicContact CB-CB 3.94Å; L442-K459 PolarHBondContact N-O 3.02Å; L442-C460 CarbonylContact O-C 3.58Å; L442-C460 WeakPolarHBondContact O-CA 3.3Å; L442-Y461 PolarHBondContact O-N 3.46Å
443I97.3Very high92.8Very high0 Ų021.8 Ų21.80%011%0.107CC..EExtended strand (participates in β ladder)trans-112.3112.8162.5-53.3171.5000107L407 I408 L409 G410 Y461 L463 L465 V470 V473L407-I443 HydrophobicContact CD1-CD1 3.79Å; L407-I443 HydrophobicContact CD1-CG1 3.88Å; I408-I443 PolarHBondContact O-N 3.06Å; L409-I443 HydrophobicContact CD2-CB 4.34Å; L409-I443 HydrophobicContact CD2-CD1 3.94Å; L409-I443 HydrophobicContact CD2-CG1 4.46Å; G410-I443 PolarHBondContact N-O 3.08Å; I443-Y461 WeakPolarHBondContact CA-O 3.29Å; I443-L463 HydrophobicContact CG2-CB 4.27Å; I443-L465 HydrophobicContact CB-CD2 4.1Å; I443-L465 HydrophobicContact CG2-CD2 3.86Å; I443-L465 WeakPolarHBondContact O-CD2 3.17Å; I443-V470 HydrophobicContact CD1-CB 4.25Å; I443-V470 HydrophobicContact CD1-CG1 4.17Å; I443-V470 HydrophobicContact CD1-CG2 3.92Å; I443-V473 HydrophobicContact CD1-CB 3.69Å; I443-V473 HydrophobicContact CD1-CG1 3.83Å; I443-V473 HydrophobicContact CD1-CG2 3.68Å; I443-V473 HydrophobicContact CG1-CB 4.37Å; I443-V473 HydrophobicContact CG1-CG1 4.11Å; I443-V473 HydrophobicContact CG1-CG2 4.09Å
444N96.2Very high92.4Very high0 Ų027 Ų270%013%0.13CC..  trans-155.3116.4173.2-166.7-4.2000109.9G412 D423 L442 N446 Q451 T452 Y461G412-N444 WeakPolarHBondContact CA-OD1 3.22Å; G412-N444 PolarHBondContact N-OD1 3.13Å; D423-N444 PolarHBondContact OD1-ND2 3.25Å; L442-N444 HydrophobicContact CD1-CB 4.16Å; L442-N444 HydrophobicContact CD2-CB 4.31Å; L442-N444 HydrophobicContact CG-CB 4.13Å; N444-N446 VanDerWaalsContact C-N 3.25Å; N444-N446 PolarHBondContact O-N 3.2Å; N444-N446 WeakPolarHBondContact OD1-CB 3.32Å; N444-N446 PolarHBondContact OD1-N 3.34Å; N444-Q451 PolarHBondContact ND2-OE1 3.24Å; N444-T452 HydrophobicContact CB-CG2 3.82Å; N444-Y461 PolarHBondContact N-O 3.22Å
445P95.9Very high92.1Very high1 Ų123 Ų231%0.00613%0.126CC..  trans-79.3-6.117733.5-35.9000113.1I447 L463 V1302 A1303 S1319P445-I447 PolarHBondContact O-N 3.06Å; P445-L463 WeakPolarHBondContact CD-O 3.28Å; P445-V1302 HydrophobicContact CB-CB 4.26Å; P445-V1302 HydrophobicContact CB-CG1 4.41Å; P445-V1302 HydrophobicContact CG-CG1 4.33Å; P445-V1302 CarbonylContact O-C 3.53Å; P445-V1302 VanDerWaalsContact O-CA 3.27Å; P445-V1302 WeakPolarHBondContact O-CA 3.5Å; P445-A1303 PolarHBondContact O-N 3.21Å; P445-S1319 WeakPolarHBondContact CB-OG 3.27Å
446N95.4Very high92.1Very high0 Ų019.4 Ų19.40%011%0.109CC..  trans-66.696.9169.5-178.14.6000109.6G412 L414 D423 N444 A448 T449 T452G412-N446 WeakPolarHBondContact O-CB 3.35Å; L414-N446 WeakPolarHBondContact CD1-ND2 3.44Å; D423-N446 PolarHBondContact OD1-ND2 3.31Å; D423-N446 PolarHBondContact OD2-ND2 2.88Å; N444-N446 VanDerWaalsContact C-N 3.25Å; N444-N446 PolarHBondContact O-N 3.2Å; N444-N446 WeakPolarHBondContact OD1-CB 3.32Å; N444-N446 PolarHBondContact OD1-N 3.34Å; N446-A448 VanDerWaalsContact C-N 3.28Å; N446-A448 PolarHBondContact O-N 3.04Å; N446-A448 PolarHBondContact OD1-N 3.46Å; N446-T449 HydrophobicContact CB-CG2 4.07Å; N446-T449 WeakPolarHBondContact O-CG2 3.33Å; N446-T452 VanDerWaalsContact O-CG2 3.3Å; N446-T452 WeakPolarHBondContact O-CG2 2.98Å; N446-T452 PolarHBondContact O-OG1 2.6Å; N446-T452 VanDerWaalsContact O-OG1 3.09Å
447I94.4Very high92.3Very high0 Ų018.2 Ų18.20%010%0.101CC..  trans-79.7-13.5-176.9-162.2149.3000112.7P445 F462 F1239 K1242 A1303 F1305P445-I447 PolarHBondContact O-N 3.06Å; I447-F462 HydrophobicContact CB-CD1 4.22Å; I447-F462 HydrophobicContact CB-CE1 4.01Å; I447-F462 HydrophobicContact CD1-CD1 3.92Å; I447-F462 HydrophobicContact CD1-CE1 3.79Å; I447-F462 HydrophobicContact CD1-CZ 4.39Å; I447-F462 HydrophobicContact CG1-CD1 4.1Å; I447-F462 HydrophobicContact CG1-CE1 3.62Å; I447-F462 HydrophobicContact CG1-CZ 4.37Å; I447-F1239 HydrophobicContact CD1-CD2 4.1Å; I447-F1239 HydrophobicContact CG2-CB 4.06Å; I447-F1239 HydrophobicContact CG2-CD2 4.24Å; I447-K1242 HydrophobicContact CD1-CB 3.91Å; I447-K1242 HydrophobicContact CD1-CD 4.36Å; I447-K1242 HydrophobicContact CG1-CB 4.03Å; I447-K1242 HydrophobicContact CG1-CD 3.58Å; I447-K1242 HydrophobicContact CG1-CG 4.43Å; I447-K1242 WeakPolarHBondContact O-CD 3.31Å; I447-K1242 WeakPolarHBondContact O-CE 3.49Å; I447-K1242 PolarHBondContact O-NZ 2.71Å; I447-A1303 HydrophobicContact CB-CB 3.8Å; I447-A1303 HydrophobicContact CD1-CB 3.82Å; I447-A1303 HydrophobicContact CG1-CB 4.38Å; I447-A1303 HydrophobicContact CG2-CB 3.45Å; I447-A1303 VanDerWaalsContact CG2-CB 3.45Å; I447-F1305 HydrophobicContact CD1-CE1 3.88Å; I447-F1305 HydrophobicContact CD1-CZ 3.79Å
448A93.8Very high92.6Very high0 Ų011.7 Ų11.70%07%0.066CC..SBendtrans-79.9-25.8-17700000113N446 V963 E964 W967 E1301N446-A448 VanDerWaalsContact C-N 3.28Å; N446-A448 PolarHBondContact O-N 3.04Å; N446-A448 PolarHBondContact OD1-N 3.46Å; A448-V963 HydrophobicContact CB-CG2 3.69Å; A448-E964 HydrophobicContact CB-CB 4.1Å; A448-W967 WeakPolarHBondContact O-CB 3.43Å; A448-E1301 HydrophobicContact CB-CG 4.21Å
449T93.3Very high92.7Very high3 Ų311.6 Ų11.62%0.0187%0.065CC..SBendtrans-72.9153.5-172.9173.10000115.7D423 N446 Q451 T452 K1242D423-T449 VanDerWaalsContact CB-OG1 3.23Å; D423-T449 WeakPolarHBondContact CB-OG1 3.4Å; D423-T449 VanDerWaalsContact CG-CB 3.46Å; D423-T449 VanDerWaalsContact CG-OG1 3.29Å; D423-T449 WeakPolarHBondContact OD2-CB 3.37Å; N446-T449 HydrophobicContact CB-CG2 4.07Å; N446-T449 WeakPolarHBondContact O-CG2 3.33Å; T449-Q451 HydrophobicContact CG2-CB 3.85Å; T449-Q451 PolarHBondContact O-N 3.33Å; T449-Q451 WeakPolarHBondContact OG1-CB 3.48Å; T449-Q451 PolarHBondContact OG1-N 3.33Å; T449-T452 HydrophobicContact CG2-CG2 3.86Å; T449-T452 PolarHBondContact O-N 3.22Å; T449-T452 PolarHBondContact O-OG1 3.07Å; T449-K1242 PolarHBondContact O-NZ 3.45Å
450V92.2Very high93Very high3 Ų310.3 Ų10.32%0.0186%0.06CC..G310 helixtrans-59.7-31.1168.6179.50000112.2T452 S453 M456 W967 V970 V993V450-T452 PolarHBondContact O-N 2.71Å; V450-S453 WeakPolarHBondContact CA-OG 3.47Å; V450-S453 VanDerWaalsContact O-CB 3.24Å; V450-S453 WeakPolarHBondContact O-CB 3.36Å; V450-S453 PolarHBondContact O-N 3.03Å; V450-S453 PolarHBondContact O-OG 2.89Å; V450-M456 HydrophobicContact CG1-CE 3.54Å; V450-W967 HydrophobicContact CG2-CB 4.19Å; V450-W967 HydrophobicContact CG2-CG 4.42Å; V450-V970 HydrophobicContact CG1-CG1 4.03Å; V450-V970 HydrophobicContact CG2-CB 3.94Å; V450-V970 HydrophobicContact CG2-CG1 4.07Å; V450-V970 HydrophobicContact CG2-CG2 4.11Å; V450-V993 HydrophobicContact CB-CB 4.27Å; V450-V993 HydrophobicContact CB-CG1 4.3Å; V450-V993 HydrophobicContact CB-CG2 4.14Å; V450-V993 HydrophobicContact CG1-CG1 4.01Å; V450-V993 HydrophobicContact CG2-CB 4.18Å; V450-V993 HydrophobicContact CG2-CG1 4.41Å; V450-V993 HydrophobicContact CG2-CG2 4.46Å
451Q92.2Very high93.1Very high0 Ų010.3 Ų10.30%06%0.06CC..G310 helixtrans-56.8-36.5-179.9-160.5-162.818.500112.4G426 S427 I430 L442 N444 T449 S453G426-Q451 VanDerWaalsContact CA-NE2 3.32Å; S427-Q451 WeakPolarHBondContact OG-CA 3.34Å; I430-Q451 HydrophobicContact CD1-CG 3.78Å; L442-Q451 HydrophobicContact CD1-CG 4.44Å; L442-Q451 VanDerWaalsContact CD1-NE2 3.33Å; L442-Q451 HydrophobicContact CD2-CB 4.37Å; L442-Q451 HydrophobicContact CD2-CG 3.68Å; L442-Q451 WeakPolarHBondContact CD2-O 3.39Å; N444-Q451 PolarHBondContact ND2-OE1 3.24Å; T449-Q451 HydrophobicContact CG2-CB 3.85Å; T449-Q451 PolarHBondContact O-N 3.33Å; T449-Q451 WeakPolarHBondContact OG1-CB 3.48Å; T449-Q451 PolarHBondContact OG1-N 3.33Å; Q451-S453 VanDerWaalsContact C-N 3.34Å
452T94.4Very high93.1Very high1 Ų110.3 Ų10.31%0.0066%0.06CC..G310 helixtrans-92.313.1-178.959.30000113.3L442 N444 N446 T449 V450 F462 K1242L442-T452 HydrophobicContact CD2-CG2 3.96Å; N444-T452 HydrophobicContact CB-CG2 3.82Å; N446-T452 VanDerWaalsContact O-CG2 3.3Å; N446-T452 WeakPolarHBondContact O-CG2 2.98Å; N446-T452 PolarHBondContact O-OG1 2.6Å; N446-T452 VanDerWaalsContact O-OG1 3.09Å; T449-T452 HydrophobicContact CG2-CG2 3.86Å; T449-T452 PolarHBondContact O-N 3.22Å; T449-T452 PolarHBondContact O-OG1 3.07Å; V450-T452 PolarHBondContact O-N 2.71Å; T452-F462 HydrophobicContact CG2-CE1 4.12Å; T452-F462 HydrophobicContact CG2-CZ 4.5Å; T452-K1242 WeakPolarHBondContact O-CE 3.32Å; T452-K1242 PolarHBondContact OG1-NZ 2.88Å
453S92.3Very high93.1Very high15 Ų1510.3 Ų10.311%0.1056%0.06CC..SBendtrans-70.6144.2177-520000111.8V450 Q451 G455 M456 W967V450-S453 WeakPolarHBondContact CA-OG 3.47Å; V450-S453 VanDerWaalsContact O-CB 3.24Å; V450-S453 WeakPolarHBondContact O-CB 3.36Å; V450-S453 PolarHBondContact O-N 3.03Å; V450-S453 PolarHBondContact O-OG 2.89Å; Q451-S453 VanDerWaalsContact C-N 3.34Å; S453-G455 PolarHBondContact O-N 3.34Å; S453-M456 WeakPolarHBondContact O-CB 3.38Å; S453-M456 PolarHBondContact O-N 3.47Å; S453-W967 PolarHBondContact OG-NE1 3.35Å
454K86.1Confident93.1Very high110 Ų11010.3 Ų10.348%0.4786%0.06SC..BIsolated β-bridgetrans-58.3129.7173.1-166174.1-170.5169.60109.8M456 D1245 M1471 T1472K454-M456 VanDerWaalsContact C-N 3.31Å; K454-D1245 WeakPolarHBondContact CD-OD1 3.49Å; K454-D1245 IonicContact NZ-OD1 2.9Å; K454-D1245 PolarHBondContact NZ-OD1 2.54Å; K454-D1245 IonicContact NZ-OD2 3.68Å; K454-D1245 PolarHBondContact NZ-OD2 3.27Å; K454-M1471 HydrophobicContact CB-CE 4.22Å; K454-T1472 WeakPolarHBondContact CE-O 3.35Å
455G82.5Confident93Very high34 Ų3411.3 Ų11.335%0.3517%0.065SC..THydrogen-bonded Turntrans79.86.1-177.100000114.8R434 S453R434-G455 PolarHBondContact NH1-O 3.49Å; S453-G455 PolarHBondContact O-N 3.34Å
456M89.6Confident92.9Very high17 Ų1713 Ų138%0.0848%0.075CC..THydrogen-bonded Turntrans-78.4-75.9163-174.265.992.700109.1I430 R434 V450 S453 K454I430-M456 HydrophobicContact CB-CG 4.41Å; I430-M456 HydrophobicContact CD1-CG 3.96Å; I430-M456 VanDerWaalsContact CG2-C 3.5Å; I430-M456 HydrophobicContact CG2-CG 4.02Å; I430-M456 WeakPolarHBondContact CG2-O 3.38Å; I430-M456 HydrophobicContact CG2-SD 4.42Å; R434-M456 WeakPolarHBondContact CD-O 3.36Å; R434-M456 PolarHBondContact NH1-O 3.31Å; V450-M456 HydrophobicContact CG1-CE 3.54Å; S453-M456 WeakPolarHBondContact O-CB 3.38Å; S453-M456 PolarHBondContact O-N 3.47Å; K454-M456 VanDerWaalsContact C-N 3.31Å
457A92.1Very high92.9Very high5 Ų514.9 Ų14.94%0.0419%0.087CC..BIsolated β-bridgetrans-82.2155.7166.900000111I430 T440 L442 K459I430-A457 HydrophobicContact CD1-CB 4.08Å; I430-A457 HydrophobicContact CG1-CB 4.47Å; I430-A457 HydrophobicContact CG2-CB 4.34Å; T440-A457 WeakPolarHBondContact OG1-CA 3.5Å; L442-A457 HydrophobicContact CB-CB 3.94Å; A457-K459 VanDerWaalsContact C-N 3.31Å
458D90.3Very high92.9Very high18 Ų1818 Ų1810%0.09610%0.102CC..SBendtrans-65.8-38.2175-62.2-88000111.7Q439 T440 T1472 S1473 R1474Q439-D458 WeakPolarHBondContact CA-OD2 3.23Å; Q439-D458 HydrophobicContact CG-CB 3.88Å; T440-D458 PolarHBondContact N-OD2 2.81Å; T440-D458 WeakPolarHBondContact O-CB 3.39Å; T440-D458 PolarHBondContact O-N 2.68Å; T440-D458 PolarHBondContact OG1-N 2.69Å; T440-D458 VanDerWaalsContact OG1-N 3.07Å; T440-D458 PolarHBondContact OG1-OD2 3.08Å; D458-T1472 WeakPolarHBondContact O-CA 3.41Å; D458-T1472 PolarHBondContact O-OG1 3.46Å; D458-S1473 WeakPolarHBondContact CA-OG 3.12Å; D458-S1473 PolarHBondContact O-N 3.03Å; D458-S1473 VanDerWaalsContact O-N 3.08Å; D458-S1473 PolarHBondContact O-OG 3.27Å; D458-R1474 IonicContact OD1-NE 3.93Å; D458-R1474 IonicContact OD1-NH2 3.75Å
459K92.3Very high93Very high5 Ų518 Ų182%0.02210%0.102CC..EExtended strand (participates in β ladder)trans-137.9133.5174.6-71.2-173.8-179.9179.70110.5T440 V441 L442 A457 Y461 E477 M1471 H1799T440-K459 PolarHBondContact O-N 3.17Å; T440-K459 VanDerWaalsContact O-N 3.15Å; V441-K459 CarbonylContact C-O 3.51Å; V441-K459 WeakPolarHBondContact CA-O 3.45Å; V441-K459 HydrophobicContact CG2-CB 4.44Å; L442-K459 PolarHBondContact N-O 3.02Å; A457-K459 VanDerWaalsContact C-N 3.31Å; K459-Y461 HydrophobicContact CB-CE2 4.45Å; K459-E477 WeakPolarHBondContact CD-OE1 3.29Å; K459-E477 WeakPolarHBondContact CD-OE2 3.32Å; K459-E477 IonicContact NZ-OE1 2.66Å; K459-E477 PolarHBondContact NZ-OE1 2.81Å; K459-E477 IonicContact NZ-OE2 2.86Å; K459-E477 PolarHBondContact NZ-OE2 2.81Å; K459-M1471 WeakPolarHBondContact CA-O 3.47Å; K459-H1799 PolarHBondContact NZ-CE1 2.88Å; K459-H1799 PolarHBondContact NZ-NE2 2.97Å
460C95.1Very high93.2Very high5 Ų517.9 Ų17.93%0.03410%0.101CC..EExtended strand (participates in β ladder)trans-126.2118.8176.5-178.20000110L442 F462 C1470 M1471L442-C460 CarbonylContact O-C 3.58Å; L442-C460 WeakPolarHBondContact O-CA 3.3Å; C460-F462 HydrophobicContact CB-CE2 4.39Å; C460-C1470 CarbonylContact O-C 3.4Å; C460-C1470 VanDerWaalsContact O-CA 3.29Å; C460-C1470 WeakPolarHBondContact O-CA 3.15Å; C460-M1471 PolarHBondContact N-O 2.63Å; C460-M1471 PolarHBondContact O-N 2.63Å
461Y96.8Very high93.4Very high0 Ų020.3 Ų20.30%011%0.113CC..EExtended strand (participates in β ladder)trans-97.7122.1177.6-77-93.7000110.7V441 L442 I443 N444 K459 L463 V473 E477 M1464 T1466 D1469 C1470V441-Y461 HydrophobicContact CG1-CD2 3.85Å; V441-Y461 HydrophobicContact CG1-CE2 3.88Å; L442-Y461 PolarHBondContact O-N 3.46Å; I443-Y461 WeakPolarHBondContact CA-O 3.29Å; N444-Y461 PolarHBondContact N-O 3.22Å; K459-Y461 HydrophobicContact CB-CE2 4.45Å; Y461-L463 VanDerWaalsContact C-N 3.34Å; Y461-L463 HydrophobicContact CD1-CD1 3.81Å; Y461-L463 HydrophobicContact CG-CD1 4.38Å; Y461-L463 PolarHBondContact O-N 3.42Å; Y461-V473 HydrophobicContact CD1-CG2 3.98Å; Y461-V473 HydrophobicContact CD2-CG1 4.03Å; Y461-V473 HydrophobicContact CD2-CG2 4.36Å; Y461-V473 HydrophobicContact CE1-CG2 4.26Å; Y461-V473 HydrophobicContact CE2-CG1 4Å; Y461-V473 HydrophobicContact CG-CG2 4.01Å; Y461-E477 HydrophobicContact CE2-CG 3.78Å; Y461-E477 WeakPolarHBondContact OH-CG 3.33Å; Y461-E477 PolarHBondContact OH-OE1 3.18Å; Y461-M1464 HydrophobicContact CD1-SD 4.05Å; Y461-M1464 HydrophobicContact CE1-CE 4.44Å; Y461-M1464 HydrophobicContact CE1-CG 4.4Å; Y461-M1464 HydrophobicContact CE1-SD 3.71Å; Y461-T1466 HydrophobicContact CE1-CG2 4.36Å; Y461-T1466 WeakPolarHBondContact OH-CG2 3.36Å; Y461-D1469 WeakPolarHBondContact CA-O 3.19Å; Y461-D1469 HydrophobicContact CD1-CB 4.46Å; Y461-C1470 HydrophobicContact CD1-CB 3.96Å; Y461-C1470 HydrophobicContact CD2-CB 4.44Å; Y461-C1470 HydrophobicContact CE1-CB 3.8Å; Y461-C1470 HydrophobicContact CE2-CB 4.26Å; Y461-C1470 HydrophobicContact CG-CB 4.3Å
462F96.8Very high93.5Very high0 Ų022.5 Ų22.50%012%0.123CC..  trans-91.768.5177.3-65.9-88.2000110.2I447 T452 C460 K1242 C1304 F1305 D1469 M1471I447-F462 HydrophobicContact CB-CD1 4.22Å; I447-F462 HydrophobicContact CB-CE1 4.01Å; I447-F462 HydrophobicContact CD1-CD1 3.92Å; I447-F462 HydrophobicContact CD1-CE1 3.79Å; I447-F462 HydrophobicContact CD1-CZ 4.39Å; I447-F462 HydrophobicContact CG1-CD1 4.1Å; I447-F462 HydrophobicContact CG1-CE1 3.62Å; I447-F462 HydrophobicContact CG1-CZ 4.37Å; T452-F462 HydrophobicContact CG2-CE1 4.12Å; T452-F462 HydrophobicContact CG2-CZ 4.5Å; C460-F462 HydrophobicContact CB-CE2 4.39Å; F462-K1242 HydrophobicContact CE1-CD 4.49Å; F462-K1242 HydrophobicContact CZ-CD 4.24Å; F462-C1304 PolarHBondContact O-SG 3.16Å; F462-F1305 HydrophobicContact CB-CD2 4.26Å; F462-F1305 HydrophobicContact CB-CE2 4.24Å; F462-F1305 AromaticContact CD2-CD2 3.96Å; F462-F1305 HydrophobicContact CD2-CD2 3.96Å; F462-F1305 AromaticContact CD2-CE2 3.28Å; F462-F1305 HydrophobicContact CD2-CE2 3.28Å; F462-F1305 AromaticContact CD2-CZ 3.92Å; F462-F1305 HydrophobicContact CD2-CZ 3.92Å; F462-F1305 AromaticContact CE2-CE2 3.74Å; F462-F1305 HydrophobicContact CE2-CE2 3.74Å; F462-F1305 HydrophobicContact CE2-CZ 4.16Å; F462-F1305 HydrophobicContact CG-CD2 4.35Å; F462-F1305 AromaticContact CG-CE2 3.84Å; F462-F1305 HydrophobicContact CG-CE2 3.84Å; F462-F1305 HydrophobicContact CG-CZ 4.2Å; F462-D1469 PolarHBondContact N-O 3.21Å; F462-M1471 HydrophobicContact CD2-CG 4.4Å; F462-M1471 HydrophobicContact CD2-SD 4.45Å; F462-M1471 HydrophobicContact CE2-CB 4.02Å; F462-M1471 HydrophobicContact CE2-CG 3.71Å; F462-M1471 HydrophobicContact CE2-SD 3.45Å; F462-M1471 WeakPolarHBondContact CE2-SD 3.25Å; F462-M1471 HydrophobicContact CZ-SD 3.82Å
463L97Very high93.6Very high0 Ų022.5 Ų22.50%012%0.122CC..  trans-126.6156.9-174.3-69.2170.7000111.8I443 P445 Y461 L465 Y469 V473 K1315 M1464 D1469I443-L463 HydrophobicContact CG2-CB 4.27Å; P445-L463 WeakPolarHBondContact CD-O 3.28Å; Y461-L463 VanDerWaalsContact C-N 3.34Å; Y461-L463 HydrophobicContact CD1-CD1 3.81Å; Y461-L463 HydrophobicContact CG-CD1 4.38Å; Y461-L463 PolarHBondContact O-N 3.42Å; L463-L465 PolarHBondContact O-N 2.83Å; L463-Y469 HydrophobicContact CD1-CD1 4.44Å; L463-Y469 HydrophobicContact CD2-CD1 4.13Å; L463-Y469 HydrophobicContact CD2-CE1 4.35Å; L463-V473 HydrophobicContact CD1-CG2 3.86Å; L463-K1315 HydrophobicContact CD2-CD 4.15Å; L463-M1464 HydrophobicContact CD1-CB 4.32Å; L463-M1464 HydrophobicContact CD1-CG 3.67Å; L463-M1464 HydrophobicContact CD1-SD 3.74Å; L463-D1469 HydrophobicContact CD1-CB 4.39Å; L463-D1469 HydrophobicContact CD2-CB 3.9Å; L463-D1469 HydrophobicContact CG-CB 4.11Å
464P95.5Very high93.7Very high0 Ų021.8 Ų21.80%012%0.117CC..  trans-59.6133.4172.6-2130.8000112.3T466 Y469 K1315 M1318 S1319P464-T466 HydrophobicContact CB-CG2 4.08Å; P464-T466 PolarHBondContact O-N 3Å; P464-Y469 HydrophobicContact CB-CD2 3.8Å; P464-Y469 HydrophobicContact CB-CE2 4.1Å; P464-Y469 HydrophobicContact CG-CD2 3.74Å; P464-Y469 HydrophobicContact CG-CE2 3.62Å; P464-Y469 WeakPolarHBondContact O-CB 3.47Å; P464-K1315 WeakPolarHBondContact CG-O 3.39Å; P464-M1318 HydrophobicContact CB-CB 4.13Å; P464-M1318 HydrophobicContact CG-CB 3.69Å; P464-S1319 WeakPolarHBondContact CA-OG 3.42Å; P464-S1319 WeakPolarHBondContact CG-OG 3.2Å
465L94.2Very high93.9Very high21 Ų2121.4 Ų21.411%0.1112%0.116CC..  trans-74.971.4174.8-75.4166.3000111.3L409 G410 I443 L463 T490L409-L465 HydrophobicContact CB-CD2 4.16Å; L409-L465 HydrophobicContact CD2-CD2 4.19Å; G410-L465 WeakPolarHBondContact O-CD1 3.19Å; I443-L465 HydrophobicContact CB-CD2 4.1Å; I443-L465 HydrophobicContact CG2-CD2 3.86Å; I443-L465 WeakPolarHBondContact O-CD2 3.17Å; L463-L465 PolarHBondContact O-N 2.83Å; L465-T490 HydrophobicContact CB-CG2 3.86Å; L465-T490 HydrophobicContact CD1-CG2 3.85Å
466T94.2Very high94Very high36 Ų3620.3 Ų20.322%0.22110%0.103CC..SBendtrans-126.5152.5178.566.40000110.2P464 H468 Y469 V470P464-T466 HydrophobicContact CB-CG2 4.08Å; P464-T466 PolarHBondContact O-N 3Å; T466-H468 PolarHBondContact O-N 3.49Å; T466-Y469 PolarHBondContact O-N 3.49Å; T466-Y469 VanDerWaalsContact O-N 3.1Å; T466-Y469 WeakPolarHBondContact OG1-CD2 3.18Å; T466-V470 WeakPolarHBondContact O-CG2 3.21Å; T466-V470 PolarHBondContact O-N 3.46Å
467P95.3Very high93.9Very high39 Ų3919.5 Ų19.525%0.25310%0.099SC..Hα-helixtrans-52.3-34.9179.5-28.434.2000113.3E471 Q497 L498P467-E471 WeakPolarHBondContact O-CB 3.42Å; P467-E471 PolarHBondContact O-N 3.33Å; P467-Q497 HydrophobicContact CG-CB 3.78Å; P467-L498 HydrophobicContact CB-CD2 3.92Å; P467-L498 HydrophobicContact CB-CG 4.26Å
468H95Very high93.8Very high67 Ų6721.4 Ų21.431%0.3111%0.105SC..Hα-helixtrans-61.4-50.5178.5-178.971.1000113.5T466 Q472T466-H468 PolarHBondContact O-N 3.49Å; H468-Q472 PolarHBondContact CE1-NE2 3.11Å; H468-Q472 VanDerWaalsContact CE1-NE2 3.26Å; H468-Q472 PolarHBondContact NE2-NE2 2.76Å; H468-Q472 WeakPolarHBondContact O-CG 3.39Å; H468-Q472 PolarHBondContact O-N 2.99Å
469Y96.4Very high93.9Very high0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-78.3-35.9-178.9-74.7-66.3000112L463 P464 T466 E471 Q472 V473 M1318 P1462L463-Y469 HydrophobicContact CD1-CD1 4.44Å; L463-Y469 HydrophobicContact CD2-CD1 4.13Å; L463-Y469 HydrophobicContact CD2-CE1 4.35Å; P464-Y469 HydrophobicContact CB-CD2 3.8Å; P464-Y469 HydrophobicContact CB-CE2 4.1Å; P464-Y469 HydrophobicContact CG-CD2 3.74Å; P464-Y469 HydrophobicContact CG-CE2 3.62Å; P464-Y469 WeakPolarHBondContact O-CB 3.47Å; T466-Y469 PolarHBondContact O-N 3.49Å; T466-Y469 VanDerWaalsContact O-N 3.1Å; T466-Y469 WeakPolarHBondContact OG1-CD2 3.18Å; Y469-E471 VanDerWaalsContact C-N 3.32Å; Y469-E471 PolarHBondContact O-N 3.17Å; Y469-Q472 WeakPolarHBondContact O-CB 3.22Å; Y469-Q472 PolarHBondContact O-N 2.81Å; Y469-Q472 VanDerWaalsContact O-N 3.13Å; Y469-V473 WeakPolarHBondContact O-CG2 3.44Å; Y469-V473 PolarHBondContact O-N 2.8Å; Y469-M1318 HydrophobicContact CE2-CE 3.65Å; Y469-M1318 HydrophobicContact CE2-SD 4.33Å; Y469-P1462 VanDerWaalsContact CE1-O 3.23Å; Y469-P1462 WeakPolarHBondContact CE1-O 3.46Å; Y469-P1462 PolarHBondContact OH-O 3.39Å
470V96.5Very high93.8Very high0 Ų022.9 Ų22.90%011%0.113CC..Hα-helixtrans-62.6-41.8175.6179.30000110.6L407 L409 I443 T466 Q472 V473 I474 L498L407-V470 HydrophobicContact CD2-CG1 4.05Å; L409-V470 HydrophobicContact CD2-CG1 3.9Å; L409-V470 HydrophobicContact CD2-CG2 3.96Å; I443-V470 HydrophobicContact CD1-CB 4.25Å; I443-V470 HydrophobicContact CD1-CG1 4.17Å; I443-V470 HydrophobicContact CD1-CG2 3.92Å; T466-V470 WeakPolarHBondContact O-CG2 3.21Å; T466-V470 PolarHBondContact O-N 3.46Å; V470-Q472 VanDerWaalsContact C-N 3.33Å; V470-Q472 PolarHBondContact O-N 2.98Å; V470-V473 PolarHBondContact O-N 3.45Å; V470-I474 HydrophobicContact CG1-CD1 3.95Å; V470-I474 HydrophobicContact CG1-CG1 4.43Å; V470-I474 VanDerWaalsContact O-CG1 3.31Å; V470-I474 WeakPolarHBondContact O-CG1 3.31Å; V470-I474 PolarHBondContact O-N 2.88Å; V470-L498 HydrophobicContact CB-CD1 3.91Å; V470-L498 HydrophobicContact CG1-CD1 3.43Å; V470-L498 VanDerWaalsContact CG1-CD1 3.43Å
471E96.8Very high93.8Very high54 Ų5422.7 Ų22.725%0.25211%0.112SC..Hα-helixtrans-61.1-40.4173-173.9177.9-171.900112P467 Y469 V473 I474 K475 V503 K506 Y507P467-E471 WeakPolarHBondContact O-CB 3.42Å; P467-E471 PolarHBondContact O-N 3.33Å; Y469-E471 VanDerWaalsContact C-N 3.32Å; Y469-E471 PolarHBondContact O-N 3.17Å; E471-V473 PolarHBondContact O-N 2.79Å; E471-I474 PolarHBondContact O-N 3.28Å; E471-K475 VanDerWaalsContact O-CB 3.3Å; E471-K475 WeakPolarHBondContact O-CB 3.24Å; E471-K475 PolarHBondContact O-N 2.92Å; E471-V503 HydrophobicContact CB-CG1 4.16Å; E471-V503 HydrophobicContact CG-CG1 3.82Å; E471-V503 HydrophobicContact CG-CG2 4.4Å; E471-K506 IonicContact OE1-NZ 2.96Å; E471-K506 PolarHBondContact OE1-NZ 3.41Å; E471-Y507 HydrophobicContact CG-CE2 3.77Å
472Q94.7Very high93.8Very high46 Ų4622.7 Ų22.722%0.21511%0.112CC..Hα-helixtrans-62.9-41.8176.4-73.2-175.230.100112.2H468 Y469 V470 K475 S476 M1464H468-Q472 PolarHBondContact CE1-NE2 3.11Å; H468-Q472 VanDerWaalsContact CE1-NE2 3.26Å; H468-Q472 PolarHBondContact NE2-NE2 2.76Å; H468-Q472 WeakPolarHBondContact O-CG 3.39Å; H468-Q472 PolarHBondContact O-N 2.99Å; Y469-Q472 WeakPolarHBondContact O-CB 3.22Å; Y469-Q472 PolarHBondContact O-N 2.81Å; Y469-Q472 VanDerWaalsContact O-N 3.13Å; V470-Q472 VanDerWaalsContact C-N 3.33Å; V470-Q472 PolarHBondContact O-N 2.98Å; Q472-K475 PolarHBondContact O-N 3.16Å; Q472-S476 WeakPolarHBondContact O-CB 3.27Å; Q472-S476 PolarHBondContact O-N 3.15Å; Q472-M1464 HydrophobicContact CB-CB 4.18Å; Q472-M1464 HydrophobicContact CB-CE 4.2Å; Q472-M1464 HydrophobicContact CB-SD 4.15Å; Q472-M1464 WeakPolarHBondContact O-CE 3.43Å
473V94.9Very high93.7Very high0 Ų022.7 Ų22.70%011%0.112CC..Hα-helixtrans-64.5-45174.1176.10000110.6L407 V441 I443 Y461 L463 Y469 V470 E471 K475 S476 E477 M1464L407-V473 HydrophobicContact CD1-CG1 4.34Å; V441-V473 HydrophobicContact CG1-CG1 3.93Å; I443-V473 HydrophobicContact CD1-CB 3.69Å; I443-V473 HydrophobicContact CD1-CG1 3.83Å; I443-V473 HydrophobicContact CD1-CG2 3.68Å; I443-V473 HydrophobicContact CG1-CB 4.37Å; I443-V473 HydrophobicContact CG1-CG1 4.11Å; I443-V473 HydrophobicContact CG1-CG2 4.09Å; Y461-V473 HydrophobicContact CD1-CG2 3.98Å; Y461-V473 HydrophobicContact CD2-CG1 4.03Å; Y461-V473 HydrophobicContact CD2-CG2 4.36Å; Y461-V473 HydrophobicContact CE1-CG2 4.26Å; Y461-V473 HydrophobicContact CE2-CG1 4Å; Y461-V473 HydrophobicContact CG-CG2 4.01Å; L463-V473 HydrophobicContact CD1-CG2 3.86Å; Y469-V473 WeakPolarHBondContact O-CG2 3.44Å; Y469-V473 PolarHBondContact O-N 2.8Å; V470-V473 PolarHBondContact O-N 3.45Å; E471-V473 PolarHBondContact O-N 2.79Å; V473-K475 VanDerWaalsContact C-N 3.29Å; V473-K475 PolarHBondContact O-N 3.07Å; V473-S476 PolarHBondContact O-N 3.3Å; V473-S476 VanDerWaalsContact O-N 3.11Å; V473-E477 HydrophobicContact CG1-CB 4.48Å; V473-E477 HydrophobicContact CG1-CG 4.11Å; V473-E477 WeakPolarHBondContact O-CB 3.4Å; V473-E477 PolarHBondContact O-N 3.43Å; V473-M1464 HydrophobicContact CB-SD 4.31Å; V473-M1464 HydrophobicContact CG2-SD 3.44Å; V473-M1464 WeakPolarHBondContact CG2-SD 3.15Å
474I94.9Very high93.5Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-59.3-42.3175.4-69.6168.3000110.9L407 V470 E471 S476 R478 P479 V503 F504 Y507 V509L407-I474 HydrophobicContact CD2-CD1 4.02Å; L407-I474 HydrophobicContact CD2-CG1 3.67Å; V470-I474 HydrophobicContact CG1-CD1 3.95Å; V470-I474 HydrophobicContact CG1-CG1 4.43Å; V470-I474 VanDerWaalsContact O-CG1 3.31Å; V470-I474 WeakPolarHBondContact O-CG1 3.31Å; V470-I474 PolarHBondContact O-N 2.88Å; E471-I474 PolarHBondContact O-N 3.28Å; I474-S476 VanDerWaalsContact C-N 3.28Å; I474-S476 PolarHBondContact O-N 3.3Å; I474-R478 WeakPolarHBondContact O-CA 3.32Å; I474-R478 PolarHBondContact O-N 3.14Å; I474-P479 HydrophobicContact CG1-CG 4.22Å; I474-V503 HydrophobicContact CD1-CG1 4.19Å; I474-F504 HydrophobicContact CD1-CD1 4.23Å; I474-F504 HydrophobicContact CD1-CE1 4.01Å; I474-Y507 HydrophobicContact CB-CD2 4.48Å; I474-Y507 HydrophobicContact CG2-CD2 3.52Å; I474-Y507 HydrophobicContact CG2-CE2 4.39Å; I474-Y507 HydrophobicContact CG2-CG 3.71Å; I474-V509 HydrophobicContact CG2-CG2 3.74Å
475K89.8Confident93.2Very high103 Ų10323.3 Ų23.345%0.44812%0.115SC..Hα-helixtrans-60.7-39.3176.6-173.8-176175.4-170.80111.4E471 Q472 V473 R478E471-K475 VanDerWaalsContact O-CB 3.3Å; E471-K475 WeakPolarHBondContact O-CB 3.24Å; E471-K475 PolarHBondContact O-N 2.92Å; Q472-K475 PolarHBondContact O-N 3.16Å; V473-K475 VanDerWaalsContact C-N 3.29Å; V473-K475 PolarHBondContact O-N 3.07Å; K475-R478 VanDerWaalsContact O-CZ 3.31Å; K475-R478 PolarHBondContact O-NE 3.41Å
476S85.9Confident93.2Very high11 Ų1122.3 Ų22.38%0.07711%0.11CC..Hα-helixtrans-85.5-37.9-174.9-168.10000114.4Q472 V473 I474 M1464 T1466 R1800Q472-S476 WeakPolarHBondContact O-CB 3.27Å; Q472-S476 PolarHBondContact O-N 3.15Å; V473-S476 PolarHBondContact O-N 3.3Å; V473-S476 VanDerWaalsContact O-N 3.11Å; I474-S476 VanDerWaalsContact C-N 3.28Å; I474-S476 PolarHBondContact O-N 3.3Å; S476-M1464 VanDerWaalsContact CB-CE 3.47Å; S476-T1466 PolarHBondContact OG-OG1 2.82Å; S476-R1800 PolarHBondContact O-NH2 2.88Å; S476-R1800 PolarHBondContact OG-NH2 3.02Å
477E88.1Confident92.9Very high0 Ų020.6 Ų20.60%010%0.1CC..Hα-helixtrans-101.2-16.1-173.4-68.7-61.814900113.7K405 V441 K459 Y461 V473 R1800K405-E477 HydrophobicContact CD-CB 4.45Å; K405-E477 VanDerWaalsContact CD-O 3.29Å; K405-E477 WeakPolarHBondContact CD-O 3.21Å; K405-E477 PolarHBondContact NZ-O 2.83Å; K405-E477 IonicContact NZ-OE2 2.74Å; K405-E477 PolarHBondContact NZ-OE2 3.48Å; V441-E477 HydrophobicContact CG1-CG 4.19Å; V441-E477 HydrophobicContact CG2-CB 4.27Å; V441-E477 HydrophobicContact CG2-CG 4.28Å; K459-E477 WeakPolarHBondContact CD-OE1 3.29Å; K459-E477 WeakPolarHBondContact CD-OE2 3.32Å; K459-E477 IonicContact NZ-OE1 2.66Å; K459-E477 PolarHBondContact NZ-OE1 2.81Å; K459-E477 IonicContact NZ-OE2 2.86Å; K459-E477 PolarHBondContact NZ-OE2 2.81Å; Y461-E477 HydrophobicContact CE2-CG 3.78Å; Y461-E477 WeakPolarHBondContact OH-CG 3.33Å; Y461-E477 PolarHBondContact OH-OE1 3.18Å; V473-E477 HydrophobicContact CG1-CB 4.48Å; V473-E477 HydrophobicContact CG1-CG 4.11Å; V473-E477 WeakPolarHBondContact O-CB 3.4Å; V473-E477 PolarHBondContact O-N 3.43Å; E477-R1800 IonicContact OE1-NH2 2.65Å; E477-R1800 PolarHBondContact OE1-NH2 2.81Å
478R89.1Confident92.5Very high45 Ų4518.8 Ų18.817%0.179%0.088CC..  trans47.752.2178.8-59.1-60.6-172-157.54114.4I474 K475 V1810I474-R478 WeakPolarHBondContact O-CA 3.32Å; I474-R478 PolarHBondContact O-N 3.14Å; K475-R478 VanDerWaalsContact O-CZ 3.31Å; K475-R478 PolarHBondContact O-NE 3.41Å; R478-V1810 HydrophobicContact CB-CG1 4.45Å; R478-V1810 HydrophobicContact CG-CG1 3.53Å
479P93.1Very high91.9Very high2 Ų216 Ų161%0.0138%0.075CC..  trans-63.7147.5175.730.7-36.1000111.3K405 L407 I474 V509K405-P479 HydrophobicContact CD-CB 4.44Å; K405-P479 HydrophobicContact CG-CB 4.36Å; L407-P479 HydrophobicContact CB-CB 3.93Å; L407-P479 HydrophobicContact CB-CG 3.9Å; L407-P479 HydrophobicContact CD2-CG 4.45Å; I474-P479 HydrophobicContact CG1-CG 4.22Å; P479-V509 HydrophobicContact CG-CG1 4.48Å; P479-V509 HydrophobicContact CG-CG2 4.38Å; P479-V509 WeakPolarHBondContact O-CG2 3.33Å
480N90.3Very high91.4Very high52 Ų5218.2 Ų18.228%0.2789%0.089SC..SBendtrans-95.5-15.7176.1-53.1117.8000112.6P403 K405 R510P403-N480 HydrophobicContact CB-CB 4.4Å; K405-N480 PolarHBondContact O-N 3.35Å; N480-R510 PolarHBondContact O-N 3.22Å
481G94.1Very high91.2Very high0 Ų018.2 Ų18.20%09%0.089CC..EExtended strand (participates in β ladder)trans-134.8155.917600000112.1K405 V406 L407 R510K405-G481 PolarHBondContact O-N 3.23Å; V406-G481 CarbonylContact C-O 3.57Å; V406-G481 WeakPolarHBondContact CA-O 3.49Å; L407-G481 PolarHBondContact N-O 3.42Å; G481-R510 CarbonylContact C-O 3.56Å; G481-R510 WeakPolarHBondContact CA-O 3.08Å
482V96.3Very high90.8Very high0 Ų015.9 Ų15.90%08%0.078CC..EExtended strand (participates in β ladder)trans-134.4137170.663.60000110.5L407 L484 F504 V509 R510 I511 L512L407-V482 HydrophobicContact CB-CB 4.32Å; L407-V482 HydrophobicContact CB-CG2 4.14Å; L407-V482 HydrophobicContact CD2-CG2 4.1Å; L407-V482 HydrophobicContact CG-CG2 4.12Å; L407-V482 CarbonylContact O-C 3.48Å; L407-V482 VanDerWaalsContact O-CA 3.26Å; L407-V482 WeakPolarHBondContact O-CA 3.46Å; V482-L484 HydrophobicContact CG2-CD2 3.85Å; V482-L484 HydrophobicContact CG2-CG 4.39Å; V482-F504 HydrophobicContact CG1-CD1 4.3Å; V482-F504 HydrophobicContact CG1-CE1 3.9Å; V482-F504 HydrophobicContact CG1-CZ 4.06Å; V482-F504 HydrophobicContact CG2-CE1 4.48Å; V482-V509 HydrophobicContact CB-CG1 3.85Å; V482-V509 HydrophobicContact CG1-CG1 3.88Å; V482-R510 PolarHBondContact N-O 3.3Å; V482-I511 HydrophobicContact CG1-CB 4.37Å; V482-I511 HydrophobicContact CG1-CG1 3.91Å; V482-L512 PolarHBondContact O-N 3.02Å
483L95Very high90.5Very high0 Ų016.5 Ų16.50%08%0.083CC..EExtended strand (participates in β ladder)trans-106.9120.5173-67.1168.6000109.4V406 L407 I408 A429 M433 F486 L512 A720V406-L483 HydrophobicContact CG1-CD1 3.8Å; V406-L483 HydrophobicContact CG1-CG 3.81Å; L407-L483 PolarHBondContact O-N 3.48Å; I408-L483 HydrophobicContact CD1-CD1 4.27Å; I408-L483 HydrophobicContact CG1-CB 4.4Å; I408-L483 HydrophobicContact CG1-CD1 4.1Å; A429-L483 HydrophobicContact CB-CD1 4.5Å; M433-L483 HydrophobicContact CE-CD1 3.77Å; M433-L483 HydrophobicContact CG-CD1 4.36Å; M433-L483 HydrophobicContact SD-CD1 4.19Å; L483-F486 HydrophobicContact CB-CD2 3.89Å; L483-F486 HydrophobicContact CB-CE2 4.16Å; L483-F486 HydrophobicContact CD1-CD2 4.41Å; L483-F486 HydrophobicContact CD1-CE2 4.2Å; L483-F486 HydrophobicContact CD2-CE2 3.96Å; L483-F486 HydrophobicContact CG-CE2 4.34Å; L483-L512 HydrophobicContact CD2-CB 3.56Å; L483-L512 HydrophobicContact CD2-CD1 4.35Å; L483-L512 HydrophobicContact CG-CB 4.37Å; L483-A720 HydrophobicContact CD2-CB 3.64Å
484L92.8Very high90.4Very high2 Ų216.8 Ų16.81%0.018%0.084CC..  trans-104.6-22.6-177-61.2177.8000113.3L409 V482 F486 L492 F504 I511 I516L409-L484 HydrophobicContact CD1-CD2 3.73Å; L409-L484 HydrophobicContact CG-CD2 4.37Å; V482-L484 HydrophobicContact CG2-CD2 3.85Å; V482-L484 HydrophobicContact CG2-CG 4.39Å; L484-F486 VanDerWaalsContact C-N 3.3Å; L484-F486 PolarHBondContact O-N 3.22Å; L484-L492 HydrophobicContact CB-CD2 4.02Å; L484-L492 WeakPolarHBondContact O-CD2 3.23Å; L484-F504 HydrophobicContact CD1-CE2 4.47Å; L484-F504 HydrophobicContact CD2-CZ 4.49Å; L484-I511 HydrophobicContact CD1-CD1 4.25Å; L484-I511 HydrophobicContact CD1-CG2 4.06Å; L484-I516 HydrophobicContact CD1-CD1 4.34Å
485T90.8Very high90.3Very high11 Ų1116.8 Ų16.87%0.0678%0.084CC..THydrogen-bonded Turntrans-80-1.9-170.850.50000115.2I519 R696 L697T485-I519 HydrophobicContact CG2-CD1 4.3Å; T485-R696 HydrophobicContact CG2-CB 4.29Å; T485-L697 PolarHBondContact O-N 3.24Å
486F92.6Very high90.4Very high1 Ų112.9 Ų12.90%0.0047%0.069CC..THydrogen-bonded Turntrans-107.6-7.9-175-59-89.1000114.2S425 A429 L483 L484 L697 A713 A716 A717S425-F486 PolarHBondContact OG-O 2.97Å; A429-F486 HydrophobicContact CB-CD1 3.72Å; A429-F486 HydrophobicContact CB-CD2 4.17Å; A429-F486 HydrophobicContact CB-CE1 3.89Å; A429-F486 HydrophobicContact CB-CE2 4.33Å; A429-F486 HydrophobicContact CB-CG 3.86Å; A429-F486 HydrophobicContact CB-CZ 4.19Å; L483-F486 HydrophobicContact CB-CD2 3.89Å; L483-F486 HydrophobicContact CB-CE2 4.16Å; L483-F486 HydrophobicContact CD1-CD2 4.41Å; L483-F486 HydrophobicContact CD1-CE2 4.2Å; L483-F486 HydrophobicContact CD2-CE2 3.96Å; L483-F486 HydrophobicContact CG-CE2 4.34Å; L484-F486 VanDerWaalsContact C-N 3.3Å; L484-F486 PolarHBondContact O-N 3.22Å; F486-L697 HydrophobicContact CD1-CD2 4.1Å; F486-L697 HydrophobicContact CD1-CG 4.44Å; F486-L697 HydrophobicContact CE1-CD2 3.96Å; F486-A713 HydrophobicContact CE1-CB 4.46Å; F486-A713 WeakPolarHBondContact CE1-O 3.39Å; F486-A716 HydrophobicContact CE1-CB 4.39Å; F486-A716 HydrophobicContact CZ-CB 4.23Å; F486-A717 HydrophobicContact CE1-CB 4.21Å; F486-A717 HydrophobicContact CZ-CB 3.82Å
487G88.3Confident90.7Very high0 Ų017.3 Ų17.30%09%0.089CC..SBendtrans-10714.1-179.200000114.6L409 S411 Q418L409-G487 VanDerWaalsContact O-CA 3.31Å; L409-G487 WeakPolarHBondContact O-CA 3.47Å; S411-G487 WeakPolarHBondContact CA-O 3.27Å; Q418-G487 PolarHBondContact NE2-O 3.17Å
488G86.5Confident91.1Very high0 Ų017.3 Ų17.30%09%0.089CC..Hα-helixtrans63.2-157-178.600000113.6F422 T490 A491 L492F422-G488 VanDerWaalsContact CD1-CA 3.44Å; F422-G488 VanDerWaalsContact CZ-CA 3.48Å; G488-T490 VanDerWaalsContact C-N 3.29Å; G488-T490 PolarHBondContact O-N 3.47Å; G488-A491 PolarHBondContact O-N 3.38Å; G488-L492 WeakPolarHBondContact O-CG 3.47Å; G488-L492 PolarHBondContact O-N 3.46Å; G488-L492 VanDerWaalsContact O-N 3.09Å
489Q83.3Confident91.3Very high9 Ų918.6 Ų18.64%0.04210%0.097CC..Hα-helixtrans-63.9-33.3-174.3-159.567.83000113.2A491 L492 N493 E523 L570Q489-A491 PolarHBondContact O-N 3.28Å; Q489-L492 PolarHBondContact O-N 2.64Å; Q489-N493 PolarHBondContact NE2-OD1 3.16Å; Q489-N493 VanDerWaalsContact NE2-OD1 3.16Å; Q489-N493 VanDerWaalsContact O-CB 3.26Å; Q489-N493 WeakPolarHBondContact O-CB 3.43Å; Q489-N493 VanDerWaalsContact O-CG 3.23Å; Q489-N493 PolarHBondContact O-N 3.44Å; Q489-E523 PolarHBondContact NE2-OE2 2.66Å; Q489-E523 PolarHBondContact OE1-OE1 3.22Å; Q489-E523 PolarHBondContact OE1-OE2 2.93Å; Q489-L570 HydrophobicContact CB-CD1 3.46Å; Q489-L570 VanDerWaalsContact CB-CD1 3.46Å; Q489-L570 HydrophobicContact CG-CD1 4.25Å
490T86.5Confident91.3Very high47 Ų4727.1 Ų27.129%0.28813%0.129SC..Hα-helixtrans-62.5-44.8179.5-670000111S411 Q418 L465 G488 C494S411-T490 WeakPolarHBondContact O-CB 3.35Å; Q418-T490 PolarHBondContact NE2-OG1 2.94Å; Q418-T490 PolarHBondContact OE1-OG1 2.91Å; L465-T490 HydrophobicContact CB-CG2 3.86Å; L465-T490 HydrophobicContact CD1-CG2 3.85Å; G488-T490 VanDerWaalsContact C-N 3.29Å; G488-T490 PolarHBondContact O-N 3.47Å; T490-C494 WeakPolarHBondContact O-CB 3.5Å; T490-C494 PolarHBondContact O-N 3.06Å; T490-C494 VanDerWaalsContact O-N 3.12Å
491A91.3Very high91.5Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-66.1-44.7174.500000112.6L409 G488 Q489 C494 G495L409-A491 HydrophobicContact CB-CB 3.66Å; G488-A491 PolarHBondContact O-N 3.38Å; Q489-A491 PolarHBondContact O-N 3.28Å; A491-C494 PolarHBondContact O-N 3.28Å; A491-G495 PolarHBondContact O-N 2.98Å
492L89.6Confident91.5Very high5 Ų529.5 Ų29.53%0.02616%0.158CC..Hα-helixtrans-60.4-50.4178.3-71.3-168.5000112L484 G488 Q489 C494 G495 V496 I519 R696L484-L492 HydrophobicContact CB-CD2 4.02Å; L484-L492 WeakPolarHBondContact O-CD2 3.23Å; G488-L492 WeakPolarHBondContact O-CG 3.47Å; G488-L492 PolarHBondContact O-N 3.46Å; G488-L492 VanDerWaalsContact O-N 3.09Å; Q489-L492 PolarHBondContact O-N 2.64Å; L492-C494 VanDerWaalsContact C-N 3.31Å; L492-C494 PolarHBondContact O-N 3.43Å; L492-G495 PolarHBondContact O-N 2.63Å; L492-G495 VanDerWaalsContact O-N 3.1Å; L492-V496 WeakPolarHBondContact O-CG2 3.42Å; L492-V496 PolarHBondContact O-N 3.06Å; L492-I519 HydrophobicContact CD1-CG2 3.9Å; L492-I519 HydrophobicContact CD2-CD1 3.8Å; L492-I519 HydrophobicContact CD2-CG1 4.37Å; L492-I519 HydrophobicContact CD2-CG2 4.02Å; L492-I519 HydrophobicContact CG-CG2 4.42Å; L492-R696 HydrophobicContact CD1-CB 4.41Å; L492-R696 HydrophobicContact CD1-CG 4.01Å
493N87Confident91.5Very high59 Ų5929.7 Ų29.732%0.31616%0.16SC..Hα-helixtrans-59.7-43179.2-74.7-12.4000111.2Q489 Q497Q489-N493 PolarHBondContact NE2-OD1 3.16Å; Q489-N493 VanDerWaalsContact NE2-OD1 3.16Å; Q489-N493 VanDerWaalsContact O-CB 3.26Å; Q489-N493 WeakPolarHBondContact O-CB 3.43Å; Q489-N493 VanDerWaalsContact O-CG 3.23Å; Q489-N493 PolarHBondContact O-N 3.44Å; N493-Q497 WeakPolarHBondContact O-CB 3.41Å; N493-Q497 VanDerWaalsContact O-CG 3.24Å; N493-Q497 WeakPolarHBondContact O-CG 3.21Å; N493-Q497 PolarHBondContact O-N 2.83Å; N493-Q497 VanDerWaalsContact O-N 3.08Å
494C92.1Very high91.5Very high5 Ų529.9 Ų29.93%0.03416%0.16CC..Hα-helixtrans-63.7-43.2175.1-171.20000111.4L409 T490 A491 L492 Q497 L498L409-C494 HydrophobicContact CD1-CB 4.38Å; T490-C494 WeakPolarHBondContact O-CB 3.5Å; T490-C494 PolarHBondContact O-N 3.06Å; T490-C494 VanDerWaalsContact O-N 3.12Å; A491-C494 PolarHBondContact O-N 3.28Å; L492-C494 VanDerWaalsContact C-N 3.31Å; L492-C494 PolarHBondContact O-N 3.43Å; C494-Q497 PolarHBondContact O-N 3.03Å; C494-L498 WeakPolarHBondContact O-CB 3.15Å; C494-L498 WeakPolarHBondContact O-CD1 3.45Å; C494-L498 WeakPolarHBondContact O-CG 3.41Å; C494-L498 PolarHBondContact O-N 2.89Å
495G92.9Very high91.5Very high0 Ų034.1 Ų34.10%019%0.191CC..Hα-helixtrans-61.3-46.5177.500000113.1A491 L492 Q497 L498 E499 F504A491-G495 PolarHBondContact O-N 2.98Å; L492-G495 PolarHBondContact O-N 2.63Å; L492-G495 VanDerWaalsContact O-N 3.1Å; G495-Q497 VanDerWaalsContact C-N 3.33Å; G495-Q497 PolarHBondContact O-N 2.83Å; G495-L498 PolarHBondContact O-N 3.12Å; G495-E499 PolarHBondContact O-N 3.16Å; G495-F504 WeakPolarHBondContact O-CE2 3.33Å
496V92Very high91.6Very high22 Ų2239.9 Ų39.913%0.13322%0.215CC..Hα-helixtrans-61.9-40.5176.31730000111.3L492 R500 I516 I520L492-V496 WeakPolarHBondContact O-CG2 3.42Å; L492-V496 PolarHBondContact O-N 3.06Å; V496-R500 WeakPolarHBondContact O-CB 3.2Å; V496-R500 VanDerWaalsContact O-CG 3.31Å; V496-R500 WeakPolarHBondContact O-CG 3.26Å; V496-R500 PolarHBondContact O-N 3.05Å; V496-I516 HydrophobicContact CG2-CD1 4.09Å; V496-I516 HydrophobicContact CG2-CG1 4.13Å; V496-I520 HydrophobicContact CG1-CD1 4.4Å; V496-I520 HydrophobicContact CG1-CG1 4.36Å; V496-I520 HydrophobicContact CG2-CG1 4.09Å
497Q93.2Very high91.5Very high104 Ų10441.9 Ų41.949%0.48622%0.222SC..Hα-helixtrans-66.2-38.5175.7-71.7173.12400112.5P467 N493 C494 G495 A501P467-Q497 HydrophobicContact CG-CB 3.78Å; N493-Q497 WeakPolarHBondContact O-CB 3.41Å; N493-Q497 VanDerWaalsContact O-CG 3.24Å; N493-Q497 WeakPolarHBondContact O-CG 3.21Å; N493-Q497 PolarHBondContact O-N 2.83Å; N493-Q497 VanDerWaalsContact O-N 3.08Å; C494-Q497 PolarHBondContact O-N 3.03Å; G495-Q497 VanDerWaalsContact C-N 3.33Å; G495-Q497 PolarHBondContact O-N 2.83Å; Q497-A501 VanDerWaalsContact O-CB 3.29Å; Q497-A501 WeakPolarHBondContact O-CB 3.13Å; Q497-A501 PolarHBondContact O-N 2.99Å
498L95.8Very high91.5Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-68-39.7177.2-73.5164.4000112.5P467 V470 C494 G495 A501 G502 V503 F504P467-L498 HydrophobicContact CB-CD2 3.92Å; P467-L498 HydrophobicContact CB-CG 4.26Å; V470-L498 HydrophobicContact CB-CD1 3.91Å; V470-L498 HydrophobicContact CG1-CD1 3.43Å; V470-L498 VanDerWaalsContact CG1-CD1 3.43Å; C494-L498 WeakPolarHBondContact O-CB 3.15Å; C494-L498 WeakPolarHBondContact O-CD1 3.45Å; C494-L498 WeakPolarHBondContact O-CG 3.41Å; C494-L498 PolarHBondContact O-N 2.89Å; G495-L498 PolarHBondContact O-N 3.12Å; L498-A501 PolarHBondContact O-N 3.41Å; L498-G502 PolarHBondContact O-N 2.99Å; L498-V503 HydrophobicContact CB-CB 4.37Å; L498-V503 HydrophobicContact CD2-CB 3.94Å; L498-V503 HydrophobicContact CD2-CG1 3.93Å; L498-V503 HydrophobicContact CD2-CG2 3.94Å; L498-V503 PolarHBondContact O-N 3.2Å; L498-F504 HydrophobicContact CB-CD2 4.45Å; L498-F504 HydrophobicContact CB-CE1 4.13Å; L498-F504 HydrophobicContact CB-CE2 3.88Å; L498-F504 HydrophobicContact CB-CZ 3.69Å; L498-F504 HydrophobicContact CD1-CE1 4.12Å; L498-F504 HydrophobicContact CD1-CZ 3.91Å; L498-F504 HydrophobicContact CG-CZ 4.47Å
499E93.6Very high91.9Very high71 Ų7148.7 Ų48.733%0.33226%0.259SS..Hα-helixtrans-65-47.8174.6-179.965-175.600111.2G495 A501 G502 F504 I516G495-E499 PolarHBondContact O-N 3.16Å; E499-A501 PolarHBondContact O-N 3.42Å; E499-G502 WeakPolarHBondContact O-CA 3.44Å; E499-G502 PolarHBondContact O-N 3.14Å; E499-F504 HydrophobicContact CB-CD2 4.04Å; E499-F504 HydrophobicContact CB-CE2 4.26Å; E499-F504 VanDerWaalsContact OE2-CD2 3.32Å; E499-F504 WeakPolarHBondContact OE2-CD2 3.46Å; E499-I516 HydrophobicContact CB-CD1 3.43Å; E499-I516 VanDerWaalsContact CB-CD1 3.43Å; E499-I516 HydrophobicContact CG-CD1 3.85Å; E499-I516 HydrophobicContact CG-CG2 4.09Å
500R93.2Very high92.3Very high181 Ų18154.4 Ų54.468%0.68328%0.281SS*.Hα-helixtrans-60.4-31.4175.7-73.1176.7-179.8175.82.3112.7V496 G502V496-R500 WeakPolarHBondContact O-CB 3.2Å; V496-R500 VanDerWaalsContact O-CG 3.31Å; V496-R500 WeakPolarHBondContact O-CG 3.26Å; V496-R500 PolarHBondContact O-N 3.05Å; R500-G502 VanDerWaalsContact C-N 3.26Å
501A94.3Very high92.6Very high72 Ų7253.8 Ų53.860%0.59528%0.275SS*.THydrogen-bonded Turntrans-80.6-2.2174.400000113.7Q497 L498 E499 V503Q497-A501 VanDerWaalsContact O-CB 3.29Å; Q497-A501 WeakPolarHBondContact O-CB 3.13Å; Q497-A501 PolarHBondContact O-N 2.99Å; L498-A501 PolarHBondContact O-N 3.41Å; E499-A501 PolarHBondContact O-N 3.42Å; A501-V503 VanDerWaalsContact C-N 3.26Å; A501-V503 HydrophobicContact CB-CG2 3.95Å; A501-V503 PolarHBondContact O-N 3.47Å
502G94.1Very high92.7Very high30 Ų3054.5 Ų54.531%0.30928%0.279SS..THydrogen-bonded Turntrans69.218.5-179.500000114.2L498 E499 R500 K506L498-G502 PolarHBondContact O-N 2.99Å; E499-G502 WeakPolarHBondContact O-CA 3.44Å; E499-G502 PolarHBondContact O-N 3.14Å; R500-G502 VanDerWaalsContact C-N 3.26Å; G502-K506 WeakPolarHBondContact O-CB 3.44Å; G502-K506 PolarHBondContact O-N 3.44Å
503V95.8Very high92.9Very high5 Ų555 Ų553%0.0329%0.285CS..Hα-helixtrans-69.6-41-174175.80000111.6E471 I474 L498 A501 K506 Y507E471-V503 HydrophobicContact CB-CG1 4.16Å; E471-V503 HydrophobicContact CG-CG1 3.82Å; E471-V503 HydrophobicContact CG-CG2 4.4Å; I474-V503 HydrophobicContact CD1-CG1 4.19Å; L498-V503 HydrophobicContact CB-CB 4.37Å; L498-V503 HydrophobicContact CD2-CB 3.94Å; L498-V503 HydrophobicContact CD2-CG1 3.93Å; L498-V503 HydrophobicContact CD2-CG2 3.94Å; L498-V503 PolarHBondContact O-N 3.2Å; A501-V503 VanDerWaalsContact C-N 3.26Å; A501-V503 HydrophobicContact CB-CG2 3.95Å; A501-V503 PolarHBondContact O-N 3.47Å; V503-K506 PolarHBondContact O-N 3.43Å; V503-Y507 HydrophobicContact CG1-CD2 3.81Å; V503-Y507 HydrophobicContact CG1-CE2 4.04Å; V503-Y507 WeakPolarHBondContact O-CD2 3.17Å; V503-Y507 PolarHBondContact O-N 3.24Å; V503-Y507 VanDerWaalsContact O-N 3.17Å
504F95.1Very high93.1Very high3 Ų352.3 Ų52.31%0.01327%0.271CS..Hα-helixtrans-63.9-45.4178.9-64.5-40.3000111.5I474 V482 L484 G495 L498 E499 Y507 N508 V509 I511I474-F504 HydrophobicContact CD1-CD1 4.23Å; I474-F504 HydrophobicContact CD1-CE1 4.01Å; V482-F504 HydrophobicContact CG1-CD1 4.3Å; V482-F504 HydrophobicContact CG1-CE1 3.9Å; V482-F504 HydrophobicContact CG1-CZ 4.06Å; V482-F504 HydrophobicContact CG2-CE1 4.48Å; L484-F504 HydrophobicContact CD1-CE2 4.47Å; L484-F504 HydrophobicContact CD2-CZ 4.49Å; G495-F504 WeakPolarHBondContact O-CE2 3.33Å; L498-F504 HydrophobicContact CB-CD2 4.45Å; L498-F504 HydrophobicContact CB-CE1 4.13Å; L498-F504 HydrophobicContact CB-CE2 3.88Å; L498-F504 HydrophobicContact CB-CZ 3.69Å; L498-F504 HydrophobicContact CD1-CE1 4.12Å; L498-F504 HydrophobicContact CD1-CZ 3.91Å; L498-F504 HydrophobicContact CG-CZ 4.47Å; E499-F504 HydrophobicContact CB-CD2 4.04Å; E499-F504 HydrophobicContact CB-CE2 4.26Å; E499-F504 VanDerWaalsContact OE2-CD2 3.32Å; E499-F504 WeakPolarHBondContact OE2-CD2 3.46Å; F504-Y507 CarbonylContact O-C 3.56Å; F504-Y507 PolarHBondContact O-N 2.74Å; F504-N508 WeakPolarHBondContact O-CA 3.5Å; F504-N508 PolarHBondContact O-N 3.31Å; F504-V509 HydrophobicContact CB-CB 4.39Å; F504-V509 HydrophobicContact CD1-CB 4.01Å; F504-V509 HydrophobicContact CD1-CG1 4.19Å; F504-V509 PolarHBondContact O-N 2.82Å; F504-I511 HydrophobicContact CD2-CD1 3.82Å; F504-I511 HydrophobicContact CD2-CG1 4.05Å; F504-I511 HydrophobicContact CE2-CD1 3.94Å; F504-I511 HydrophobicContact CE2-CG1 4.22Å
505S92.6Very high93.1Very high92 Ų9254.7 Ų54.764%0.64329%0.286SS*.Hα-helixtrans-64.6-41.9174.4-43.60000112.5Y507 N508S505-Y507 PolarHBondContact O-N 3.32Å; S505-N508 PolarHBondContact O-N 3.46Å
506K92.6Very high93Very high131 Ų13155.5 Ų55.557%0.5729%0.29SS*.Hα-helixtrans-56.6-31.7177.6176.4-175.6177.2-170.50113E471 G502 V503E471-K506 IonicContact OE1-NZ 2.96Å; E471-K506 PolarHBondContact OE1-NZ 3.41Å; G502-K506 WeakPolarHBondContact O-CB 3.44Å; G502-K506 PolarHBondContact O-N 3.44Å; V503-K506 PolarHBondContact O-N 3.43Å
507Y91.3Very high92.9Very high43 Ų4359.2 Ų59.217%0.16931%0.306CS..THydrogen-bonded Turntrans-115.110.3-177.7-62.3-56.4000114.5E471 I474 V503 F504 S505 V509E471-Y507 HydrophobicContact CG-CE2 3.77Å; I474-Y507 HydrophobicContact CB-CD2 4.48Å; I474-Y507 HydrophobicContact CG2-CD2 3.52Å; I474-Y507 HydrophobicContact CG2-CE2 4.39Å; I474-Y507 HydrophobicContact CG2-CG 3.71Å; V503-Y507 HydrophobicContact CG1-CD2 3.81Å; V503-Y507 HydrophobicContact CG1-CE2 4.04Å; V503-Y507 WeakPolarHBondContact O-CD2 3.17Å; V503-Y507 PolarHBondContact O-N 3.24Å; V503-Y507 VanDerWaalsContact O-N 3.17Å; F504-Y507 CarbonylContact O-C 3.56Å; F504-Y507 PolarHBondContact O-N 2.74Å; S505-Y507 PolarHBondContact O-N 3.32Å; Y507-V509 VanDerWaalsContact C-N 3.31Å; Y507-V509 PolarHBondContact O-N 2.8Å
508N89.4Confident92.8Very high134 Ų13454.7 Ų54.772%0.71729%0.286SS*.THydrogen-bonded Turntrans52.944.3-179.3-164.936.4000113.5F504 S505F504-N508 WeakPolarHBondContact O-CA 3.5Å; F504-N508 PolarHBondContact O-N 3.31Å; S505-N508 PolarHBondContact O-N 3.46Å
509V93.7Very high92.4Very high10 Ų1054.8 Ų54.86%0.06129%0.287CS..PPolyproline II helixtrans-95.4119.7176.5-171.40000108.6I474 P479 V482 F504 Y507I474-V509 HydrophobicContact CG2-CG2 3.74Å; P479-V509 HydrophobicContact CG-CG1 4.48Å; P479-V509 HydrophobicContact CG-CG2 4.38Å; P479-V509 WeakPolarHBondContact O-CG2 3.33Å; V482-V509 HydrophobicContact CB-CG1 3.85Å; V482-V509 HydrophobicContact CG1-CG1 3.88Å; F504-V509 HydrophobicContact CB-CB 4.39Å; F504-V509 HydrophobicContact CD1-CB 4.01Å; F504-V509 HydrophobicContact CD1-CG1 4.19Å; F504-V509 PolarHBondContact O-N 2.82Å; Y507-V509 VanDerWaalsContact C-N 3.31Å; Y507-V509 PolarHBondContact O-N 2.8Å
510R92.1Very high92.2Very high129 Ų12953 Ų5349%0.48728%0.279SS..EExtended strand (participates in β ladder)trans-86.1134.6177.8-163-177.2-157.3170.16.6111N480 G481 V482 L512N480-R510 PolarHBondContact O-N 3.22Å; G481-R510 CarbonylContact C-O 3.56Å; G481-R510 WeakPolarHBondContact CA-O 3.08Å; V482-R510 PolarHBondContact N-O 3.3Å; R510-L512 HydrophobicContact CB-CD2 4.49Å; R510-L512 PolarHBondContact O-N 3.19Å
511I93.5Very high92Very high34 Ų3445.6 Ų45.617%0.17425%0.252CS..EExtended strand (participates in β ladder)trans-75.6124.5168.5-55.3177000108V482 L484 F504 I516V482-I511 HydrophobicContact CG1-CB 4.37Å; V482-I511 HydrophobicContact CG1-CG1 3.91Å; L484-I511 HydrophobicContact CD1-CD1 4.25Å; L484-I511 HydrophobicContact CD1-CG2 4.06Å; F504-I511 HydrophobicContact CD2-CD1 3.82Å; F504-I511 HydrophobicContact CD2-CG1 4.05Å; F504-I511 HydrophobicContact CE2-CD1 3.94Å; F504-I511 HydrophobicContact CE2-CG1 4.22Å; I511-I516 HydrophobicContact CD1-CB 3.6Å; I511-I516 HydrophobicContact CD1-CD1 3.84Å; I511-I516 HydrophobicContact CD1-CG1 4.23Å; I511-I516 HydrophobicContact CD1-CG2 3.77Å
512L93.4Very high91.8Very high15 Ų1542.5 Ų42.58%0.07923%0.226CC..EExtended strand (participates in β ladder)trans-101.4147.4-177.9-58.6178.7000110.5P403 V406 V482 L483 R510 A720P403-L512 HydrophobicContact CG-CD1 3.93Å; V406-L512 HydrophobicContact CG1-CD1 4.11Å; V406-L512 HydrophobicContact CG2-CD1 3.63Å; V482-L512 PolarHBondContact O-N 3.02Å; L483-L512 HydrophobicContact CD2-CB 3.56Å; L483-L512 HydrophobicContact CD2-CD1 4.35Å; L483-L512 HydrophobicContact CG-CB 4.37Å; R510-L512 HydrophobicContact CB-CD2 4.49Å; R510-L512 PolarHBondContact O-N 3.19Å; L512-A720 HydrophobicContact CB-CB 4.31Å
513G92.5Very high91.1Very high15 Ų1542.8 Ų42.816%0.15522%0.219CC..SBendtrans78-139.3-175.600000112.3V672G513-V672 CarbonylContact C-O 3.23Å; G513-V672 VanDerWaalsContact C-O 3.28Å; G513-V672 WeakPolarHBondContact CA-O 3.38Å
514T92.5Very high90.4Very high2 Ų244.1 Ų44.11%0.01223%0.226CC..SBendtrans-53.7123.4-178.8-58.50000111I519 V671 V672 A695T514-I519 HydrophobicContact CG2-CD1 4.36Å; T514-I519 HydrophobicContact CG2-CG1 3.9Å; T514-V671 HydrophobicContact CG2-CG1 4.42Å; T514-V672 PolarHBondContact N-O 2.81Å; T514-V672 PolarHBondContact OG1-O 2.95Å; T514-A695 HydrophobicContact CG2-CB 4.19Å
515P90.8Very high89.5Confident56 Ų5646.2 Ų46.236%0.36423%0.234SC..  trans-56.8142.1176.3-24.333.6000111.6Q517 S518 I519 G670P515-Q517 PolarHBondContact O-N 3.08Å; P515-S518 WeakPolarHBondContact O-CB 3.4Å; P515-S518 PolarHBondContact O-N 2.96Å; P515-I519 PolarHBondContact O-N 2.71Å; P515-G670 WeakPolarHBondContact CD-O 3.44Å
516I91.1Very high89Confident17 Ų1747.4 Ų47.49%0.08723%0.228CC..Hα-helixtrans-61-29.4178.9-160.1173.8000112.7L484 V496 E499 I511 I519 I520L484-I516 HydrophobicContact CD1-CD1 4.34Å; V496-I516 HydrophobicContact CG2-CD1 4.09Å; V496-I516 HydrophobicContact CG2-CG1 4.13Å; E499-I516 HydrophobicContact CB-CD1 3.43Å; E499-I516 VanDerWaalsContact CB-CD1 3.43Å; E499-I516 HydrophobicContact CG-CD1 3.85Å; E499-I516 HydrophobicContact CG-CG2 4.09Å; I511-I516 HydrophobicContact CD1-CB 3.6Å; I511-I516 HydrophobicContact CD1-CD1 3.84Å; I511-I516 HydrophobicContact CD1-CG1 4.23Å; I511-I516 HydrophobicContact CD1-CG2 3.77Å; I516-I519 WeakPolarHBondContact O-CB 3.5Å; I516-I519 PolarHBondContact O-N 3.26Å; I516-I520 HydrophobicContact CG1-CD1 4.39Å; I516-I520 VanDerWaalsContact O-CG1 3.3Å; I516-I520 WeakPolarHBondContact O-CG1 3.11Å; I516-I520 PolarHBondContact O-N 3.06Å
517Q90.6Very high88.8Confident100 Ų10043.8 Ų43.847%0.46721%0.214SC..Hα-helixtrans-62.9-43.9174.4-174.957.335.400111.2P515 I519 I520 E521P515-Q517 PolarHBondContact O-N 3.08Å; Q517-I519 VanDerWaalsContact C-N 3.32Å; Q517-I519 PolarHBondContact O-N 2.72Å; Q517-I520 PolarHBondContact O-N 3.41Å; Q517-E521 VanDerWaalsContact CG-OE1 3.3Å; Q517-E521 WeakPolarHBondContact CG-OE1 3.33Å; Q517-E521 PolarHBondContact NE2-OE1 2.91Å; Q517-E521 WeakPolarHBondContact O-CB 3.5Å; Q517-E521 VanDerWaalsContact O-CG 3.3Å; Q517-E521 WeakPolarHBondContact O-CG 3.3Å; Q517-E521 PolarHBondContact O-N 3.47Å
518S90.9Very high88.7Confident8 Ų841.9 Ų41.96%0.05621%0.207CC..Hα-helixtrans-60.5-41.8174.4-50.30000111.6P515 E521 T522 F669P515-S518 WeakPolarHBondContact O-CB 3.4Å; P515-S518 PolarHBondContact O-N 2.96Å; S518-E521 PolarHBondContact O-N 2.86Å; S518-T522 WeakPolarHBondContact O-CG2 3.34Å; S518-T522 PolarHBondContact O-N 3.48Å; S518-T522 PolarHBondContact O-OG1 3.21Å; S518-T522 VanDerWaalsContact O-OG1 3.09Å; S518-F669 WeakPolarHBondContact CB-O 3.17Å; S518-F669 PolarHBondContact OG-O 3.11Å
519I88.1Confident88.6Confident3 Ų336.2 Ų36.22%0.01518%0.178CC..Hα-helixtrans-60.4-46.8175.3-68.8159.4000110.9T485 L492 T514 P515 I516 Q517 E521 T522 E523T485-I519 HydrophobicContact CG2-CD1 4.3Å; L492-I519 HydrophobicContact CD1-CG2 3.9Å; L492-I519 HydrophobicContact CD2-CD1 3.8Å; L492-I519 HydrophobicContact CD2-CG1 4.37Å; L492-I519 HydrophobicContact CD2-CG2 4.02Å; L492-I519 HydrophobicContact CG-CG2 4.42Å; T514-I519 HydrophobicContact CG2-CD1 4.36Å; T514-I519 HydrophobicContact CG2-CG1 3.9Å; P515-I519 PolarHBondContact O-N 2.71Å; I516-I519 WeakPolarHBondContact O-CB 3.5Å; I516-I519 PolarHBondContact O-N 3.26Å; Q517-I519 VanDerWaalsContact C-N 3.32Å; Q517-I519 PolarHBondContact O-N 2.72Å; I519-E521 VanDerWaalsContact C-N 3.34Å; I519-E521 PolarHBondContact O-N 3.12Å; I519-T522 PolarHBondContact O-N 3.24Å; I519-T522 PolarHBondContact O-OG1 2.73Å; I519-T522 VanDerWaalsContact O-OG1 3.12Å; I519-E523 HydrophobicContact CG2-CG 4.28Å; I519-E523 WeakPolarHBondContact O-CB 3.46Å; I519-E523 WeakPolarHBondContact O-CG 3.36Å; I519-E523 PolarHBondContact O-N 2.79Å
520I88Confident88.4Confident32 Ų3239.9 Ų39.916%0.16420%0.195CC..Hα-helixtrans-62.6-43178.7-68.4164.1000110.7V496 I516 Q517 E523 D524 L527V496-I520 HydrophobicContact CG1-CD1 4.4Å; V496-I520 HydrophobicContact CG1-CG1 4.36Å; V496-I520 HydrophobicContact CG2-CG1 4.09Å; I516-I520 HydrophobicContact CG1-CD1 4.39Å; I516-I520 VanDerWaalsContact O-CG1 3.3Å; I516-I520 WeakPolarHBondContact O-CG1 3.11Å; I516-I520 PolarHBondContact O-N 3.06Å; Q517-I520 PolarHBondContact O-N 3.41Å; I520-E523 PolarHBondContact O-N 3.05Å; I520-D524 VanDerWaalsContact O-CB 3.31Å; I520-D524 WeakPolarHBondContact O-CB 3.42Å; I520-D524 PolarHBondContact O-N 3.41Å; I520-L527 HydrophobicContact CG2-CD1 4.18Å
521E90.5Very high88.5Confident26 Ų2636.6 Ų36.612%0.12118%0.182CC..Hα-helixtrans-66-34.3-179.9-74.4173.2-163.700113.2Q517 S518 I519 F528 R531 F669Q517-E521 VanDerWaalsContact CG-OE1 3.3Å; Q517-E521 WeakPolarHBondContact CG-OE1 3.33Å; Q517-E521 PolarHBondContact NE2-OE1 2.91Å; Q517-E521 WeakPolarHBondContact O-CB 3.5Å; Q517-E521 VanDerWaalsContact O-CG 3.3Å; Q517-E521 WeakPolarHBondContact O-CG 3.3Å; Q517-E521 PolarHBondContact O-N 3.47Å; S518-E521 PolarHBondContact O-N 2.86Å; I519-E521 VanDerWaalsContact C-N 3.34Å; I519-E521 PolarHBondContact O-N 3.12Å; E521-F528 VanDerWaalsContact O-CA 3.26Å; E521-F528 WeakPolarHBondContact O-CA 3.29Å; E521-F528 WeakPolarHBondContact O-CB 3.5Å; E521-F528 PolarHBondContact O-N 3.32Å; E521-F528 VanDerWaalsContact O-N 3.11Å; E521-R531 HydrophobicContact CG-CG 4.44Å; E521-R531 IonicContact OE2-CZ 2.83Å; E521-R531 IonicContact OE2-NE 3.46Å; E521-R531 PolarHBondContact OE2-NE 2.83Å; E521-R531 IonicContact OE2-NH2 2.76Å; E521-F669 HydrophobicContact CB-CD1 4.07Å; E521-F669 HydrophobicContact CB-CE1 3.93Å
522T88.6Confident88.5Confident8 Ų835 Ų355%0.04917%0.174CC..Hα-helixtrans-81.1-30.7177.754.50000113.3S518 I519 F669 V693 A695S518-T522 WeakPolarHBondContact O-CG2 3.34Å; S518-T522 PolarHBondContact O-N 3.48Å; S518-T522 PolarHBondContact O-OG1 3.21Å; S518-T522 VanDerWaalsContact O-OG1 3.09Å; I519-T522 PolarHBondContact O-N 3.24Å; I519-T522 PolarHBondContact O-OG1 2.73Å; I519-T522 VanDerWaalsContact O-OG1 3.12Å; T522-F669 HydrophobicContact CG2-CB 4.47Å; T522-F669 HydrophobicContact CG2-CD1 3.67Å; T522-F669 HydrophobicContact CG2-CD2 4.09Å; T522-F669 HydrophobicContact CG2-CE1 3.83Å; T522-F669 HydrophobicContact CG2-CE2 4.23Å; T522-F669 HydrophobicContact CG2-CG 3.82Å; T522-F669 HydrophobicContact CG2-CZ 4.12Å; T522-V693 WeakPolarHBondContact CB-O 3.41Å; T522-V693 HydrophobicContact CG2-CB 4.16Å; T522-V693 HydrophobicContact CG2-CG1 3.96Å; T522-A695 HydrophobicContact CG2-CB 4.15Å
523E80.7Confident88.4Confident35 Ų3538.6 Ų38.616%0.16419%0.194CC..Hα-helixtrans-83.4-33.7-178.9-69.1-86.7160.400112.7Q489 I519 I520 R525 F568Q489-E523 PolarHBondContact NE2-OE2 2.66Å; Q489-E523 PolarHBondContact OE1-OE1 3.22Å; Q489-E523 PolarHBondContact OE1-OE2 2.93Å; I519-E523 HydrophobicContact CG2-CG 4.28Å; I519-E523 WeakPolarHBondContact O-CB 3.46Å; I519-E523 WeakPolarHBondContact O-CG 3.36Å; I519-E523 PolarHBondContact O-N 2.79Å; I520-E523 PolarHBondContact O-N 3.05Å; E523-R525 PolarHBondContact O-N 3.08Å; E523-F568 HydrophobicContact CB-CE1 4.39Å
524D80.4Confident88.5Confident34 Ų3443.5 Ų43.518%0.18221%0.213CC..SBendtrans-79.7111.9173.7-174-55.5000109.9I520 K526 L527 F528 F568I520-D524 VanDerWaalsContact O-CB 3.31Å; I520-D524 WeakPolarHBondContact O-CB 3.42Å; I520-D524 PolarHBondContact O-N 3.41Å; D524-K526 VanDerWaalsContact C-N 3.27Å; D524-K526 PolarHBondContact O-N 2.88Å; D524-K526 WeakPolarHBondContact OD1-CB 3.49Å; D524-K526 PolarHBondContact OD1-N 2.92Å; D524-L527 HydrophobicContact CB-CB 4.07Å; D524-L527 HydrophobicContact CB-CD1 3.93Å; D524-L527 HydrophobicContact CB-CG 4.09Å; D524-L527 PolarHBondContact O-N 3.3Å; D524-L527 PolarHBondContact OD1-N 3.16Å; D524-L527 VanDerWaalsContact OD1-N 3.12Å; D524-F528 VanDerWaalsContact O-CB 3.26Å; D524-F528 WeakPolarHBondContact O-CB 3.45Å; D524-F528 PolarHBondContact O-N 3.34Å; D524-F568 HydrophobicContact CB-CZ 4.09Å
525R76.8Confident88.6Confident46 Ų4645.1 Ų45.117%0.17422%0.221CC..Hα-helixtrans-58.5-34.4-175.7-76.3-62.4-162.6-170.2-4.5114.5E523 A529 I599 I691 E692E523-R525 PolarHBondContact O-N 3.08Å; R525-A529 WeakPolarHBondContact O-CB 3.43Å; R525-A529 PolarHBondContact O-N 3.45Å; R525-I599 HydrophobicContact CB-CD1 4.27Å; R525-I599 HydrophobicContact CB-CG1 4.18Å; R525-I599 HydrophobicContact CG-CG1 4.22Å; R525-I691 PolarHBondContact NH1-O 2.76Å; R525-I691 PolarHBondContact NH2-O 3.14Å; R525-E692 IonicContact NH2-OE2 3.97Å; R525-E692 PolarHBondContact NH2-OE2 2.9Å
526K82Confident88.7Confident118 Ų11845.3 Ų45.351%0.51323%0.233SC..Hα-helixtrans-72.4-49-179.6179.5-178.8169.7-177.90109.7D524 F528 A529 E530D524-K526 VanDerWaalsContact C-N 3.27Å; D524-K526 PolarHBondContact O-N 2.88Å; D524-K526 WeakPolarHBondContact OD1-CB 3.49Å; D524-K526 PolarHBondContact OD1-N 2.92Å; K526-F528 VanDerWaalsContact C-N 3.28Å; K526-F528 PolarHBondContact O-N 3.48Å; K526-A529 PolarHBondContact O-N 3.32Å; K526-E530 WeakPolarHBondContact CE-OE1 3.37Å; K526-E530 IonicContact NZ-OE1 2.75Å; K526-E530 WeakPolarHBondContact O-CB 3.38Å; K526-E530 WeakPolarHBondContact O-CG 3.29Å; K526-E530 PolarHBondContact O-N 3.23Å
527L87Confident88.8Confident55 Ų5545.2 Ų45.229%0.28823%0.232SC..Hα-helixtrans-60.4-41.8175.2-64.6178.2000110.7I520 D524 A529 E530 R531I520-L527 HydrophobicContact CG2-CD1 4.18Å; D524-L527 HydrophobicContact CB-CB 4.07Å; D524-L527 HydrophobicContact CB-CD1 3.93Å; D524-L527 HydrophobicContact CB-CG 4.09Å; D524-L527 PolarHBondContact O-N 3.3Å; D524-L527 PolarHBondContact OD1-N 3.16Å; D524-L527 VanDerWaalsContact OD1-N 3.12Å; L527-A529 PolarHBondContact O-N 3.17Å; L527-E530 PolarHBondContact O-N 3.19Å; L527-R531 WeakPolarHBondContact O-CB 3.13Å; L527-R531 WeakPolarHBondContact O-CG 3.4Å; L527-R531 PolarHBondContact O-N 2.89Å
528F89.5Confident88.8Confident3 Ų345.2 Ų45.21%0.01323%0.232CC..Hα-helixtrans-56.6-51.9176.1177.9-107.5000111.7E521 D524 K526 E530 R531 V532 V539 F669 I690 V693E521-F528 VanDerWaalsContact O-CA 3.26Å; E521-F528 WeakPolarHBondContact O-CA 3.29Å; E521-F528 WeakPolarHBondContact O-CB 3.5Å; E521-F528 PolarHBondContact O-N 3.32Å; E521-F528 VanDerWaalsContact O-N 3.11Å; D524-F528 VanDerWaalsContact O-CB 3.26Å; D524-F528 WeakPolarHBondContact O-CB 3.45Å; D524-F528 PolarHBondContact O-N 3.34Å; K526-F528 VanDerWaalsContact C-N 3.28Å; K526-F528 PolarHBondContact O-N 3.48Å; F528-E530 PolarHBondContact O-N 3.08Å; F528-R531 PolarHBondContact O-N 3.07Å; F528-V532 HydrophobicContact CD2-CG2 4.1Å; F528-V532 HydrophobicContact CE1-CG2 4.22Å; F528-V532 HydrophobicContact CE2-CG2 3.75Å; F528-V532 HydrophobicContact CG-CG2 4.46Å; F528-V532 HydrophobicContact CZ-CG2 3.83Å; F528-V532 WeakPolarHBondContact O-CB 3.15Å; F528-V532 WeakPolarHBondContact O-CG2 3.45Å; F528-V532 PolarHBondContact O-N 3.5Å; F528-V539 HydrophobicContact CD1-CG1 3.91Å; F528-V539 HydrophobicContact CE1-CG1 3.5Å; F528-V539 HydrophobicContact CZ-CG1 4.35Å; F528-F669 HydrophobicContact CD2-CE1 4.37Å; F528-F669 HydrophobicContact CD2-CE2 4.04Å; F528-F669 AromaticContact CD2-CZ 3.5Å; F528-F669 HydrophobicContact CD2-CZ 3.5Å; F528-F669 AromaticContact CE2-CE2 3.88Å; F528-F669 HydrophobicContact CE2-CE2 3.88Å; F528-F669 AromaticContact CE2-CZ 3.84Å; F528-F669 HydrophobicContact CE2-CZ 3.84Å; F528-I690 HydrophobicContact CE1-CG2 4.36Å; F528-I690 HydrophobicContact CZ-CG2 3.7Å; F528-V693 HydrophobicContact CE2-CB 3.88Å; F528-V693 HydrophobicContact CE2-CG2 3.66Å; F528-V693 HydrophobicContact CZ-CG2 4.05Å
529A87.6Confident88.7Confident15 Ų1545.8 Ų45.812%0.12424%0.236CC..Hα-helixtrans-60.2-44.8177.900000112.1R525 K526 L527 N533 V539R525-A529 WeakPolarHBondContact O-CB 3.43Å; R525-A529 PolarHBondContact O-N 3.45Å; K526-A529 PolarHBondContact O-N 3.32Å; L527-A529 PolarHBondContact O-N 3.17Å; A529-N533 VanDerWaalsContact O-CB 3.28Å; A529-N533 WeakPolarHBondContact O-CB 2.94Å; A529-N533 PolarHBondContact O-N 3.21Å; A529-N533 PolarHBondContact O-ND2 3.46Å; A529-V539 HydrophobicContact CB-CG2 3.68Å
530E90.9Very high88.6Confident87 Ų8746.3 Ų46.341%0.40724%0.24SC..Hα-helixtrans-59.9-49.3177-72.8171.9177.900111.2K526 L527 F528 V532 N533 E534K526-E530 WeakPolarHBondContact CE-OE1 3.37Å; K526-E530 IonicContact NZ-OE1 2.75Å; K526-E530 WeakPolarHBondContact O-CB 3.38Å; K526-E530 WeakPolarHBondContact O-CG 3.29Å; K526-E530 PolarHBondContact O-N 3.23Å; L527-E530 PolarHBondContact O-N 3.19Å; F528-E530 PolarHBondContact O-N 3.08Å; E530-V532 PolarHBondContact O-N 2.91Å; E530-N533 PolarHBondContact O-N 3.32Å; E530-E534 WeakPolarHBondContact O-CG 3.36Å; E530-E534 PolarHBondContact O-N 2.98Å
531R92.8Very high88.5Confident59 Ų5947.3 Ų47.322%0.22325%0.249CC..Hα-helixtrans-66.8-37.2-178.7-64.1-69.6-75.5145.74.4112.4E521 L527 F528 E534 H668 F669E521-R531 HydrophobicContact CG-CG 4.44Å; E521-R531 IonicContact OE2-CZ 2.83Å; E521-R531 IonicContact OE2-NE 3.46Å; E521-R531 PolarHBondContact OE2-NE 2.83Å; E521-R531 IonicContact OE2-NH2 2.76Å; L527-R531 WeakPolarHBondContact O-CB 3.13Å; L527-R531 WeakPolarHBondContact O-CG 3.4Å; L527-R531 PolarHBondContact O-N 2.89Å; F528-R531 PolarHBondContact O-N 3.07Å; R531-E534 IonicContact CZ-OE2 3.85Å; R531-E534 IonicContact NE-OE2 2.8Å; R531-E534 IonicContact NH1-OE1 2.76Å; R531-E534 IonicContact NH1-OE2 2.77Å; R531-E534 PolarHBondContact NH1-OE2 2.76Å; R531-H668 PolarHBondContact NH1-CE1 2.98Å; R531-H668 PolarHBondContact NH1-NE2 3.03Å; R531-H668 PolarHBondContact NH2-O 3.37Å; R531-H668 PolarHBondContact O-CD2 2.91Å; R531-H668 PolarHBondContact O-NE2 3.5Å; R531-F669 HydrophobicContact CB-CE1 3.67Å; R531-F669 HydrophobicContact CB-CZ 3.89Å; R531-F669 HydrophobicContact CG-CE1 4.2Å
532V93.2Very high88.2Confident0 Ų048.3 Ų48.30%026%0.258CS..Hα-helixtrans-68.3-41.8174.3172.40000111F528 E530 E534 I535 E537 V539 F669 I690F528-V532 HydrophobicContact CD2-CG2 4.1Å; F528-V532 HydrophobicContact CE1-CG2 4.22Å; F528-V532 HydrophobicContact CE2-CG2 3.75Å; F528-V532 HydrophobicContact CG-CG2 4.46Å; F528-V532 HydrophobicContact CZ-CG2 3.83Å; F528-V532 WeakPolarHBondContact O-CB 3.15Å; F528-V532 WeakPolarHBondContact O-CG2 3.45Å; F528-V532 PolarHBondContact O-N 3.5Å; E530-V532 PolarHBondContact O-N 2.91Å; V532-E534 VanDerWaalsContact C-N 3.33Å; V532-E534 PolarHBondContact O-N 2.84Å; V532-I535 WeakPolarHBondContact O-CG1 3.39Å; V532-I535 PolarHBondContact O-N 3.35Å; V532-E537 HydrophobicContact CG1-CB 3.53Å; V532-E537 PolarHBondContact O-N 3.2Å; V532-V539 HydrophobicContact CB-CG1 4.01Å; V532-V539 HydrophobicContact CG1-CG1 3.84Å; V532-V539 HydrophobicContact CG2-CG1 4.23Å; V532-F669 HydrophobicContact CG2-CE2 4.05Å; V532-F669 HydrophobicContact CG2-CZ 4.04Å; V532-I690 HydrophobicContact CG1-CD1 3.71Å
533N92.4Very high88.1Confident91 Ų9150.5 Ų50.549%0.48727%0.268SS..Hα-helixtrans-65.9-32.2178.2-74.3-33.5000112.9A529 E530 I535 G536 E537A529-N533 VanDerWaalsContact O-CB 3.28Å; A529-N533 WeakPolarHBondContact O-CB 2.94Å; A529-N533 PolarHBondContact O-N 3.21Å; A529-N533 PolarHBondContact O-ND2 3.46Å; E530-N533 PolarHBondContact O-N 3.32Å; N533-I535 PolarHBondContact O-N 3.13Å; N533-G536 PolarHBondContact O-N 3.45Å; N533-E537 PolarHBondContact OD1-O 2.69Å
534E94.3Very high88.3Confident119 Ų11950.8 Ų50.856%0.55628%0.276SS*.Hα-helixtrans-56.8-28.8176.9-78.6170.1-174.800113.6E530 R531 V532 H668E530-E534 WeakPolarHBondContact O-CG 3.36Å; E530-E534 PolarHBondContact O-N 2.98Å; R531-E534 IonicContact CZ-OE2 3.85Å; R531-E534 IonicContact NE-OE2 2.8Å; R531-E534 IonicContact NH1-OE1 2.76Å; R531-E534 IonicContact NH1-OE2 2.77Å; R531-E534 PolarHBondContact NH1-OE2 2.76Å; V532-E534 VanDerWaalsContact C-N 3.33Å; V532-E534 PolarHBondContact O-N 2.84Å; E534-H668 IonicContact OE2-CE1 3.6Å; E534-H668 PolarHBondContact OE2-CE1 2.88Å; E534-H668 IonicContact OE2-NE2 3.86Å; E534-H668 PolarHBondContact OE2-NE2 2.77Å; E534-H668 VanDerWaalsContact OE2-NE2 3.13Å
535I93.7Very high88.7Confident35 Ų3549.3 Ų49.318%0.17927%0.269CS..THydrogen-bonded Turntrans-99.99.8178.257.3166.6000113.1V532 N533 E537 K664 V665 H668V532-I535 WeakPolarHBondContact O-CG1 3.39Å; V532-I535 PolarHBondContact O-N 3.35Å; N533-I535 PolarHBondContact O-N 3.13Å; I535-E537 VanDerWaalsContact C-N 3.28Å; I535-E537 HydrophobicContact CD1-CB 4.39Å; I535-E537 HydrophobicContact CD1-CG 3.78Å; I535-E537 HydrophobicContact CG1-CB 4.23Å; I535-E537 HydrophobicContact CG1-CG 3.9Å; I535-E537 PolarHBondContact O-N 3.49Å; I535-K664 HydrophobicContact CD1-CG 4.2Å; I535-K664 WeakPolarHBondContact O-CE 3.47Å; I535-K664 PolarHBondContact O-NZ 3.07Å; I535-V665 HydrophobicContact CD1-CB 4.49Å; I535-V665 HydrophobicContact CD1-CG2 3.96Å; I535-H668 HydrophobicContact CD1-CB 4.06Å; I535-H668 HydrophobicContact CG2-CB 4.04Å; I535-H668 VanDerWaalsContact CG2-CG 3.5Å; I535-H668 WeakPolarHBondContact CG2-ND1 3.49Å
536G92.9Very high89.2Confident61 Ų6153.6 Ų53.663%0.62929%0.286SS*.THydrogen-bonded Turntrans7414.417900000114.8N533N533-G536 PolarHBondContact O-N 3.45Å
537E94.4Very high89.6Confident15 Ų1550.1 Ų50.17%0.0728%0.276CS..  trans-89162.5173-64.2-55.7147.500110.6V532 N533 I535 T661 K664 V665 Y688 I690V532-E537 HydrophobicContact CG1-CB 3.53Å; V532-E537 PolarHBondContact O-N 3.2Å; N533-E537 PolarHBondContact OD1-O 2.69Å; I535-E537 VanDerWaalsContact C-N 3.28Å; I535-E537 HydrophobicContact CD1-CB 4.39Å; I535-E537 HydrophobicContact CD1-CG 3.78Å; I535-E537 HydrophobicContact CG1-CB 4.23Å; I535-E537 HydrophobicContact CG1-CG 3.9Å; I535-E537 PolarHBondContact O-N 3.49Å; E537-T661 HydrophobicContact CG-CG2 4.34Å; E537-T661 WeakPolarHBondContact OE2-CG2 3.33Å; E537-K664 HydrophobicContact CG-CD 4.41Å; E537-K664 WeakPolarHBondContact OE1-CD 3.36Å; E537-K664 WeakPolarHBondContact OE1-CE 3.27Å; E537-K664 IonicContact OE1-NZ 3.33Å; E537-K664 PolarHBondContact OE1-NZ 2.81Å; E537-V665 HydrophobicContact CG-CG2 4.11Å; E537-Y688 PolarHBondContact OE2-OH 3.1Å; E537-I690 HydrophobicContact CB-CD1 3.91Å; E537-I690 HydrophobicContact CG-CD1 4.48Å
538Q89.6Confident89.7Confident99 Ų9949.2 Ų49.246%0.46327%0.273SS..  trans-119.1133.5-172.4-60-173.6-1.800112.6Y689 I690Q538-Y689 HydrophobicContact CB-CD1 3.83Å; Q538-Y689 HydrophobicContact CB-CE1 3.97Å; Q538-I690 PolarHBondContact O-N 3.44Å
539V90.3Very high89.8Confident21 Ų2152.5 Ų52.513%0.12730%0.301CS..BIsolated β-bridgetrans-100.7161.6162-61.20000109.8F528 A529 V532 Y689F528-V539 HydrophobicContact CD1-CG1 3.91Å; F528-V539 HydrophobicContact CE1-CG1 3.5Å; F528-V539 HydrophobicContact CZ-CG1 4.35Å; A529-V539 HydrophobicContact CB-CG2 3.68Å; V532-V539 HydrophobicContact CB-CG1 4.01Å; V532-V539 HydrophobicContact CG1-CG1 3.84Å; V532-V539 HydrophobicContact CG2-CG1 4.23Å; V539-Y689 VanDerWaalsContact O-CD1 3.31Å; V539-Y689 WeakPolarHBondContact O-CD1 3.49Å
540A85.3Confident90Very high14 Ų1455.9 Ų55.912%0.11631%0.314CS..PPolyproline II helixtrans-55.4135.7173.500000110.4S542 L604A540-S542 PolarHBondContact O-N 3.39Å; A540-S542 VanDerWaalsContact O-N 3.16Å; A540-S542 PolarHBondContact O-OG 2.52Å; A540-L604 HydrophobicContact CB-CD1 3.9Å; A540-L604 HydrophobicContact CB-CG 4.48Å
541P85.3Confident90Very high53 Ų5351.8 Ų51.834%0.34430%0.295SS..PPolyproline II helixtrans-53123.7174.6-26.334.2000110.4L558 D601 K602P541-L558 HydrophobicContact CB-CD2 3.92Å; P541-D601 WeakPolarHBondContact O-CA 3.4Å; P541-K602 HydrophobicContact CB-CB 4.25Å; P541-K602 HydrophobicContact CG-CB 4.5Å; P541-K602 HydrophobicContact CG-CD 4.37Å; P541-K602 PolarHBondContact O-N 2.91Å
542S85.5Confident90.1Very high46 Ų4650.3 Ų50.332%0.32229%0.291SS..EExtended strand (participates in β ladder)trans-148.1153.5-171.159.40000112.7A540 V600 D601A540-S542 PolarHBondContact O-N 3.39Å; A540-S542 VanDerWaalsContact O-N 3.16Å; A540-S542 PolarHBondContact O-OG 2.52Å; S542-V600 CarbonylContact C-O 3.55Å; S542-V600 VanDerWaalsContact CA-O 3.23Å; S542-V600 WeakPolarHBondContact CA-O 3.3Å; S542-D601 WeakPolarHBondContact CB-OD1 3.27Å
543E86Confident90.1Very high55 Ų5554.1 Ų54.126%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-132.4132.4175.5-70.1-170.8-143.600110.8A554 R557 V600E543-A554 HydrophobicContact CB-CB 3.84Å; E543-A554 HydrophobicContact CG-CB 4.39Å; E543-R557 IonicContact OE1-CZ 2.71Å; E543-R557 IonicContact OE1-NE 3.69Å; E543-R557 PolarHBondContact OE1-NE 2.82Å; E543-R557 IonicContact OE1-NH2 3.27Å; E543-R557 IonicContact OE2-CZ 2.66Å; E543-R557 IonicContact OE2-NE 3.68Å; E543-R557 PolarHBondContact OE2-NE 3.38Å; E543-R557 IonicContact OE2-NH2 3Å; E543-R557 PolarHBondContact OE2-NH2 3.17Å; E543-V600 PolarHBondContact N-O 3.18Å; E543-V600 PolarHBondContact O-N 3.48Å
544A84.5Confident90Very high40 Ų4049.8 Ų49.833%0.33129%0.288SS..EExtended strand (participates in β ladder)trans-84.4128.9172.700000110.6Q597 I599A544-Q597 HydrophobicContact CB-CG 4.5Å; A544-I599 HydrophobicContact CB-CD1 3.54Å
545V88.2Confident89.9Confident3 Ų344.1 Ų44.12%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-130.2149.9-175.3-56.50000111Q550 A551 A554 L598 V600V545-Q550 HydrophobicContact CB-CB 3.74Å; V545-Q550 HydrophobicContact CG1-CB 3.96Å; V545-Q550 WeakPolarHBondContact CG1-O 3.44Å; V545-A551 HydrophobicContact CG2-CB 3.77Å; V545-A554 HydrophobicContact CG1-CB 3.79Å; V545-L598 HydrophobicContact CG2-CB 3.79Å; V545-L598 HydrophobicContact CG2-CD2 3.92Å; V545-L598 HydrophobicContact CG2-CG 4.02Å; V545-L598 WeakPolarHBondContact CG2-O 3.26Å; V545-L598 PolarHBondContact N-O 3.03Å; V545-L598 PolarHBondContact O-N 2.8Å; V545-L598 VanDerWaalsContact O-O 3.07Å; V545-V600 HydrophobicContact CG1-CG2 4.47Å; V545-V600 HydrophobicContact CG2-CG2 3.98Å
546Y88.9Confident89.7Confident137 Ų13746.4 Ų46.454%0.53728%0.281SS..SBendtrans-121.3-0.1-174.3-58.8-87.6000113S596 Q597Y546-S596 WeakPolarHBondContact CD1-O 3.36Å; Y546-Q597 HydrophobicContact CD1-CB 4.4Å; Y546-Q597 HydrophobicContact CE1-CB 4.13Å; Y546-Q597 HydrophobicContact CE1-CG 4.03Å; Y546-Q597 PolarHBondContact OH-NE2 2.93Å
547S89.9Confident89.7Confident45 Ų4549.9 Ų49.932%0.31528%0.275SS..SBendtrans-148.7158.2177.565.70000110A549 Q550 A551S547-A549 VanDerWaalsContact C-N 3.27Å; S547-A549 PolarHBondContact O-N 2.97Å; S547-Q550 PolarHBondContact O-N 3.12Å; S547-Q550 WeakPolarHBondContact OG-CG 3.19Å; S547-Q550 PolarHBondContact OG-N 3.08Å; S547-A551 PolarHBondContact O-N 3.2Å
548V88.3Confident89.4Confident36 Ų3650.6 Ų50.622%0.21828%0.279CS..Hα-helixtrans-56.9-42.3176179.20000111.1Q550 A551 L552 Q585 A588 Q589 L592V548-Q550 PolarHBondContact O-N 3.01Å; V548-A551 VanDerWaalsContact O-CB 3.32Å; V548-A551 WeakPolarHBondContact O-CB 3.32Å; V548-A551 PolarHBondContact O-N 2.87Å; V548-A551 VanDerWaalsContact O-N 3.09Å; V548-L552 WeakPolarHBondContact O-CG 3.39Å; V548-L552 PolarHBondContact O-N 2.97Å; V548-L552 VanDerWaalsContact O-N 3.08Å; V548-Q585 HydrophobicContact CG1-CB 4.48Å; V548-Q585 HydrophobicContact CG1-CG 3.88Å; V548-A588 HydrophobicContact CG1-CB 4.42Å; V548-A588 HydrophobicContact CG2-CB 4.21Å; V548-Q589 HydrophobicContact CG2-CG 3.77Å; V548-L592 HydrophobicContact CG2-CD1 4.15Å
549A91.2Very high89.4Confident72 Ų7247.4 Ų47.460%0.59527%0.273SS*.Hα-helixtrans-61.3-41.2178.500000112.8S547 A551 L552 D553S547-A549 VanDerWaalsContact C-N 3.27Å; S547-A549 PolarHBondContact O-N 2.97Å; A549-A551 VanDerWaalsContact C-N 3.32Å; A549-L552 PolarHBondContact O-N 2.66Å; A549-D553 WeakPolarHBondContact O-CB 3.38Å; A549-D553 PolarHBondContact O-N 3.04Å; A549-D553 VanDerWaalsContact O-N 3.14Å
550Q93.2Very high89.4Confident86 Ų8650.1 Ų50.140%0.40228%0.282SS..Hα-helixtrans-65.8-35.4174.3-74.1173.5-7.600111.9V545 S547 V548 D553 A554V545-Q550 HydrophobicContact CB-CB 3.74Å; V545-Q550 HydrophobicContact CG1-CB 3.96Å; V545-Q550 WeakPolarHBondContact CG1-O 3.44Å; S547-Q550 PolarHBondContact O-N 3.12Å; S547-Q550 WeakPolarHBondContact OG-CG 3.19Å; S547-Q550 PolarHBondContact OG-N 3.08Å; V548-Q550 PolarHBondContact O-N 3.01Å; Q550-D553 PolarHBondContact O-N 3.16Å; Q550-A554 WeakPolarHBondContact O-CB 3.24Å; Q550-A554 PolarHBondContact O-N 3.44Å
551A90.6Very high89.7Confident0 Ų052 Ų520%029%0.293CS..Hα-helixtrans-62-46176.400000112V545 S547 V548 A549 A554 A555 L584 A588 L598 V600V545-A551 HydrophobicContact CG2-CB 3.77Å; S547-A551 PolarHBondContact O-N 3.2Å; V548-A551 VanDerWaalsContact O-CB 3.32Å; V548-A551 WeakPolarHBondContact O-CB 3.32Å; V548-A551 PolarHBondContact O-N 2.87Å; V548-A551 VanDerWaalsContact O-N 3.09Å; A549-A551 VanDerWaalsContact C-N 3.32Å; A551-A554 PolarHBondContact O-N 3.23Å; A551-A555 PolarHBondContact O-N 3.16Å; A551-L584 WeakPolarHBondContact O-CD2 3.4Å; A551-A588 HydrophobicContact CB-CB 3.98Å; A551-L598 HydrophobicContact CB-CD2 3.97Å; A551-V600 HydrophobicContact CB-CG2 4.17Å
552L94.3Very high90Very high28 Ų2849.5 Ų49.515%0.14728%0.277CS..Hα-helixtrans-62.6-44.8177.6-59-179.3000111.4V548 A549 A555 S556 E581 L584 Q585V548-L552 WeakPolarHBondContact O-CG 3.39Å; V548-L552 PolarHBondContact O-N 2.97Å; V548-L552 VanDerWaalsContact O-N 3.08Å; A549-L552 PolarHBondContact O-N 2.66Å; L552-A555 PolarHBondContact O-N 3.47Å; L552-S556 PolarHBondContact O-N 2.87Å; L552-S556 PolarHBondContact O-OG 2.85Å; L552-E581 HydrophobicContact CB-CG 4.48Å; L552-E581 HydrophobicContact CD1-CG 4.04Å; L552-E581 HydrophobicContact CD2-CG 3.61Å; L552-E581 HydrophobicContact CG-CG 4.21Å; L552-L584 HydrophobicContact CD2-CB 4.04Å; L552-L584 HydrophobicContact CD2-CD2 3.89Å; L552-L584 HydrophobicContact CD2-CG 3.97Å; L552-Q585 HydrophobicContact CD2-CB 4.39Å
553D93.1Very high90.1Very high80 Ų8048.9 Ų48.943%0.42827%0.269SS..Hα-helixtrans-62.5-43.3178-179.449.6000112.6A549 Q550 S556 R557A549-D553 WeakPolarHBondContact O-CB 3.38Å; A549-D553 PolarHBondContact O-N 3.04Å; A549-D553 VanDerWaalsContact O-N 3.14Å; Q550-D553 PolarHBondContact O-N 3.16Å; D553-S556 VanDerWaalsContact C-OG 3.29Å; D553-S556 VanDerWaalsContact CA-OG 3.28Å; D553-S556 WeakPolarHBondContact CA-OG 3.45Å; D553-S556 PolarHBondContact O-N 3.3Å; D553-S556 PolarHBondContact O-OG 2.95Å; D553-R557 PolarHBondContact O-N 3.48Å; D553-R557 IonicContact OD1-CZ 2.89Å; D553-R557 IonicContact OD1-NH1 3.09Å; D553-R557 PolarHBondContact OD1-NH1 3.26Å; D553-R557 IonicContact OD2-CZ 3.88Å; D553-R557 VanDerWaalsContact OD2-CZ 3.27Å; D553-R557 IonicContact OD2-NH1 3.38Å; D553-R557 PolarHBondContact OD2-NH1 2.96Å; D553-R557 IonicContact OD2-NH2 3.98Å; D553-R557 PolarHBondContact OD2-NH2 3.36Å
554A91.1Very high90.1Very high0 Ų046.3 Ų46.30%026%0.257CS..Hα-helixtrans-60.4-44.2173.200000112E543 V545 Q550 A551 S556 R557 L558 V600E543-A554 HydrophobicContact CB-CB 3.84Å; E543-A554 HydrophobicContact CG-CB 4.39Å; V545-A554 HydrophobicContact CG1-CB 3.79Å; Q550-A554 WeakPolarHBondContact O-CB 3.24Å; Q550-A554 PolarHBondContact O-N 3.44Å; A551-A554 PolarHBondContact O-N 3.23Å; A554-S556 VanDerWaalsContact C-N 3.34Å; A554-S556 PolarHBondContact O-N 3.24Å; A554-R557 PolarHBondContact O-N 2.96Å; A554-R557 VanDerWaalsContact O-N 3.1Å; A554-L558 WeakPolarHBondContact O-CG 3.24Å; A554-L558 PolarHBondContact O-N 3.18Å; A554-V600 HydrophobicContact CB-CB 4.31Å; A554-V600 HydrophobicContact CB-CG2 4.44Å
555A92.6Very high89.8Confident0 Ų046.2 Ų46.20%025%0.248CC..Hα-helixtrans-66-33.8178.600000113.3A551 L552 R557 L558 G559 Y560 V562 L584 V600A551-A555 PolarHBondContact O-N 3.16Å; L552-A555 PolarHBondContact O-N 3.47Å; A555-R557 VanDerWaalsContact C-N 3.26Å; A555-R557 PolarHBondContact O-N 3.34Å; A555-L558 PolarHBondContact O-N 3.5Å; A555-G559 WeakPolarHBondContact O-CA 3.38Å; A555-G559 PolarHBondContact O-N 2.92Å; A555-Y560 HydrophobicContact CB-CE1 3.98Å; A555-Y560 HydrophobicContact CB-CE2 4.15Å; A555-Y560 WeakPolarHBondContact CB-OH 3.37Å; A555-V562 HydrophobicContact CB-CG1 3.94Å; A555-V562 HydrophobicContact CB-CG2 3.93Å; A555-L584 HydrophobicContact CB-CD2 3.24Å; A555-V600 HydrophobicContact CB-CG1 4.3Å
556S89.3Confident89.2Confident83 Ų8346.4 Ų46.458%0.5825%0.25SS*.Hα-helixtrans-64.1-28.5171.528.90000113.7L552 D553 A554L552-S556 PolarHBondContact O-N 2.87Å; L552-S556 PolarHBondContact O-OG 2.85Å; D553-S556 VanDerWaalsContact C-OG 3.29Å; D553-S556 VanDerWaalsContact CA-OG 3.28Å; D553-S556 WeakPolarHBondContact CA-OG 3.45Å; D553-S556 PolarHBondContact O-N 3.3Å; D553-S556 PolarHBondContact O-OG 2.95Å; A554-S556 VanDerWaalsContact C-N 3.34Å; A554-S556 PolarHBondContact O-N 3.24Å
557R91.4Very high88Confident134 Ų13440.4 Ų40.451%0.50623%0.229SC..Hα-helixtrans-80.2-42.1173.6-75.1-172.5-71.8-83.41.5113E543 D553 A554 A555E543-R557 IonicContact OE1-CZ 2.71Å; E543-R557 IonicContact OE1-NE 3.69Å; E543-R557 PolarHBondContact OE1-NE 2.82Å; E543-R557 IonicContact OE1-NH2 3.27Å; E543-R557 IonicContact OE2-CZ 2.66Å; E543-R557 IonicContact OE2-NE 3.68Å; E543-R557 PolarHBondContact OE2-NE 3.38Å; E543-R557 IonicContact OE2-NH2 3Å; E543-R557 PolarHBondContact OE2-NH2 3.17Å; D553-R557 PolarHBondContact O-N 3.48Å; D553-R557 IonicContact OD1-CZ 2.89Å; D553-R557 IonicContact OD1-NH1 3.09Å; D553-R557 PolarHBondContact OD1-NH1 3.26Å; D553-R557 IonicContact OD2-CZ 3.88Å; D553-R557 VanDerWaalsContact OD2-CZ 3.27Å; D553-R557 IonicContact OD2-NH1 3.38Å; D553-R557 PolarHBondContact OD2-NH1 2.96Å; D553-R557 IonicContact OD2-NH2 3.98Å; D553-R557 PolarHBondContact OD2-NH2 3.36Å; A554-R557 PolarHBondContact O-N 2.96Å; A554-R557 VanDerWaalsContact O-N 3.1Å; A555-R557 VanDerWaalsContact C-N 3.26Å; A555-R557 PolarHBondContact O-N 3.34Å
558L89.9Confident86.6Confident30 Ų3042.6 Ų42.616%0.15723%0.233CC..Hα-helixtrans-74.7-30.9-178.3-67.7168.7000112.7P541 A554 A555 V562 V600P541-L558 HydrophobicContact CB-CD2 3.92Å; A554-L558 WeakPolarHBondContact O-CG 3.24Å; A554-L558 PolarHBondContact O-N 3.18Å; A555-L558 PolarHBondContact O-N 3.5Å; L558-V562 HydrophobicContact CB-CG1 4.22Å; L558-V600 HydrophobicContact CD1-CB 4.18Å; L558-V600 HydrophobicContact CD1-CG1 3.85Å; L558-V600 WeakPolarHBondContact CD1-O 3.48Å
559G89.4Confident85.2Confident33 Ų3342.8 Ų42.834%0.3424%0.236SC..  trans84.7137-17600000112.9A555 V562A555-G559 WeakPolarHBondContact O-CA 3.38Å; A555-G559 PolarHBondContact O-N 2.92Å; G559-V562 VanDerWaalsContact O-CG1 3.28Å; G559-V562 WeakPolarHBondContact O-CG1 3.41Å
560Y90.2Very high83.4Confident77 Ų7740.7 Ų40.730%0.30222%0.215SC..SBendtrans-74.2149.1175.3-69.9-81.5000112.3A555 V562 A578 N579 N580 E581 L584A555-Y560 HydrophobicContact CB-CE1 3.98Å; A555-Y560 HydrophobicContact CB-CE2 4.15Å; A555-Y560 WeakPolarHBondContact CB-OH 3.37Å; Y560-V562 HydrophobicContact CD1-CG2 3.98Å; Y560-V562 HydrophobicContact CE1-CG2 3.86Å; Y560-A578 WeakPolarHBondContact CD1-O 3.46Å; Y560-A578 HydrophobicContact CE1-CB 4.34Å; Y560-N579 WeakPolarHBondContact CB-O 3.49Å; Y560-N580 VanDerWaalsContact CE1-O 3.22Å; Y560-N580 WeakPolarHBondContact CE1-O 3.47Å; Y560-E581 WeakPolarHBondContact OH-CA 3.45Å; Y560-L584 HydrophobicContact CE1-CB 4.26Å; Y560-L584 HydrophobicContact CE1-CD2 4.21Å; Y560-L584 WeakPolarHBondContact OH-CD2 3.34Å
561P90.2Very high81.7Confident55 Ų5537.3 Ų37.336%0.35720%0.203SC..SBendcis-73149.6-3.328.9-32.5000112.7A578 S603P561-A578 CarbonylContact C-O 3.41Å; P561-A578 VanDerWaalsContact CA-O 3.27Å; P561-A578 WeakPolarHBondContact CA-O 3.15Å; P561-S603 WeakPolarHBondContact O-CB 3.22Å; P561-S603 PolarHBondContact O-N 2.99Å
562V91.6Very high80.4Confident0 Ų038.1 Ų38.10%021%0.211CC..EExtended strand (participates in β ladder)trans-119158.9175.2-63.50000110.9A555 L558 G559 Y560 F577 A578 L584 V600 D601A555-V562 HydrophobicContact CB-CG1 3.94Å; A555-V562 HydrophobicContact CB-CG2 3.93Å; L558-V562 HydrophobicContact CB-CG1 4.22Å; G559-V562 VanDerWaalsContact O-CG1 3.28Å; G559-V562 WeakPolarHBondContact O-CG1 3.41Å; Y560-V562 HydrophobicContact CD1-CG2 3.98Å; Y560-V562 HydrophobicContact CE1-CG2 3.86Å; V562-F577 WeakPolarHBondContact O-CA 3.22Å; V562-A578 HydrophobicContact CG2-CB 4.06Å; V562-A578 PolarHBondContact N-O 3.19Å; V562-A578 PolarHBondContact O-N 2.76Å; V562-L584 HydrophobicContact CG2-CD1 4.19Å; V562-L584 HydrophobicContact CG2-CD2 4.13Å; V562-V600 HydrophobicContact CB-CG1 3.79Å; V562-V600 HydrophobicContact CG1-CG1 4.12Å; V562-V600 HydrophobicContact CG2-CG1 3.94Å; V562-D601 CarbonylContact C-O 3.43Å; V562-D601 VanDerWaalsContact CA-O 3.31Å; V562-D601 WeakPolarHBondContact CA-O 3.25Å; V562-D601 WeakPolarHBondContact CB-O 3.45Å
563M88.1Confident79.2Confident33 Ų3338.3 Ų38.316%0.16321%0.212CC..EExtended strand (participates in β ladder)trans-108.6127.1171.5-172.1-172.6-172.300109R565 F577 V600 D601 S768M563-R565 HydrophobicContact CE-CG 3.83Å; M563-R565 HydrophobicContact CG-CG 4.12Å; M563-R565 HydrophobicContact SD-CG 4.11Å; M563-F577 HydrophobicContact CB-CD1 3.97Å; M563-F577 HydrophobicContact CB-CE1 3.82Å; M563-F577 HydrophobicContact CE-CZ 4.27Å; M563-F577 HydrophobicContact CG-CD1 4.19Å; M563-F577 HydrophobicContact CG-CE1 3.87Å; M563-F577 HydrophobicContact CG-CZ 4.13Å; M563-F577 HydrophobicContact SD-CE1 4.19Å; M563-F577 HydrophobicContact SD-CZ 4.1Å; M563-V600 CarbonylContact O-C 3.54Å; M563-V600 WeakPolarHBondContact O-CA 3.46Å; M563-D601 HydrophobicContact CB-CB 4.34Å; M563-D601 PolarHBondContact N-O 3.07Å; M563-D601 PolarHBondContact O-N 3.48Å; M563-S768 VanDerWaalsContact CE-CB 3.48Å
564A86.7Confident78.1Confident0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-101.2134.3172.500000109.4S575 G576 L584 L587 L598 I599A564-S575 CarbonylContact O-C 3.56Å; A564-S575 WeakPolarHBondContact O-CA 3.4Å; A564-G576 PolarHBondContact N-O 2.57Å; A564-G576 PolarHBondContact O-N 3.43Å; A564-L584 HydrophobicContact CB-CD1 3.99Å; A564-L587 HydrophobicContact CB-CB 4.37Å; A564-L598 HydrophobicContact CB-CD1 3.93Å; A564-L598 HydrophobicContact CB-CD2 4.47Å; A564-I599 CarbonylContact C-O 3.35Å; A564-I599 WeakPolarHBondContact CA-O 3.36Å
565R78.6Confident77.6Confident38 Ų3835.8 Ų35.814%0.14320%0.203CC..EExtended strand (participates in β ladder)trans-136.9139.4178.3-62.4-174.8-74.9-175.95.1112.2M563 L598 I599 D601M563-R565 HydrophobicContact CE-CG 3.83Å; M563-R565 HydrophobicContact CG-CG 4.12Å; M563-R565 HydrophobicContact SD-CG 4.11Å; R565-L598 CarbonylContact O-C 3.52Å; R565-L598 WeakPolarHBondContact O-CA 3.4Å; R565-L598 VanDerWaalsContact O-CD1 3.24Å; R565-L598 WeakPolarHBondContact O-CD1 3.45Å; R565-I599 PolarHBondContact N-O 3.41Å; R565-I599 PolarHBondContact O-N 2.73Å; R565-D601 IonicContact CZ-OD1 3.9Å; R565-D601 IonicContact CZ-OD2 3.36Å; R565-D601 IonicContact NE-OD2 3.58Å; R565-D601 PolarHBondContact NE-OD2 3.35Å; R565-D601 IonicContact NH2-OD1 3.61Å; R565-D601 PolarHBondContact NH2-OD1 3.05Å; R565-D601 IonicContact NH2-OD2 2.82Å; R565-D601 PolarHBondContact NH2-OD2 3.31Å
566A73.7Confident77.3Confident8 Ų836.3 Ų36.37%0.06621%0.208CC..EExtended strand (participates in β ladder)trans-77.8139.7170.900000111.1S569 L573 A591A566-S569 PolarHBondContact O-OG 3.25Å; A566-L573 WeakPolarHBondContact CB-O 3.47Å; A566-A591 HydrophobicContact CB-CB 4.42Å
567A64.7Low77.2Confident10 Ų1034.3 Ų34.38%0.08319%0.189CC..THydrogen-bonded Turntrans-75.3147.1176.200000112.2S569 S595 Q597A567-S569 PolarHBondContact O-N 3.41Å; A567-S595 PolarHBondContact O-OG 2.9Å; A567-Q597 HydrophobicContact CB-CB 4.05Å; A567-Q597 HydrophobicContact CB-CG 4.27Å; A567-Q597 VanDerWaalsContact CB-OE1 3.28Å; A567-Q597 PolarHBondContact N-O 2.77Å
568F61Low77.1Confident91 Ų9128 Ų2840%0.39917%0.165SC..THydrogen-bonded Turntrans58.323.4-179.9-56-81.6000115.5E523 D524E523-F568 HydrophobicContact CB-CE1 4.39Å; D524-F568 HydrophobicContact CB-CZ 4.09Å
569S58.4Low77.1Confident41 Ų4130.8 Ų30.829%0.28718%0.18SC..  trans-92.3131.1-178.568.60000112.5A566 A567 L573A566-S569 PolarHBondContact O-OG 3.25Å; A567-S569 PolarHBondContact O-N 3.41Å; S569-L573 PolarHBondContact OG-O 2.8Å
570L53.7Low77.3Confident28 Ų2831.7 Ų31.715%0.14718%0.177CC..G310 helixtrans-60.7144.8170.3-176.679.6000110.7G417 Q418 Q489 G572 L573 R1284G417-L570 WeakPolarHBondContact O-CD1 3.26Å; Q418-L570 HydrophobicContact CB-CD1 4.46Å; Q418-L570 HydrophobicContact CB-CD2 3.85Å; Q489-L570 HydrophobicContact CB-CD1 3.46Å; Q489-L570 VanDerWaalsContact CB-CD1 3.46Å; Q489-L570 HydrophobicContact CG-CD1 4.25Å; L570-G572 PolarHBondContact O-N 2.94Å; L570-L573 PolarHBondContact O-N 2.98Å; L570-R1284 VanDerWaalsContact C-NH2 3.28Å; L570-R1284 PolarHBondContact O-NH1 3.48Å; L570-R1284 PolarHBondContact O-NH2 2.86Å
571G57.9Low77.4Confident15 Ų1533.3 Ų33.316%0.15519%0.187CC..G310 helixtrans47.632.8166.900000116.8L573 M770 R1284G571-L573 PolarHBondContact O-N 3.37Å; G571-M770 PolarHBondContact O-N 2.89Å; G571-R1284 PolarHBondContact O-NH1 3.27Å
572G63.6Low77.4Confident17 Ų1737.4 Ų37.418%0.17520%0.202CC..G310 helixtrans65.834-178.800000115.7L570 G574 S575 S769L570-G572 PolarHBondContact O-N 2.94Å; G572-G574 PolarHBondContact O-N 3.11Å; G572-S575 WeakPolarHBondContact O-CB 3.33Å; G572-S575 PolarHBondContact O-N 3.16Å; G572-S575 VanDerWaalsContact O-N 3.17Å; G572-S575 PolarHBondContact O-OG 3.3Å; G572-S769 WeakPolarHBondContact O-CB 3.39Å; G572-S769 PolarHBondContact O-OG 3.48Å
573L67Low77.4Confident31 Ų3140.8 Ų40.816%0.16222%0.218CC..THydrogen-bonded Turntrans-61130.4178.6-167.961.5000110.4A566 S569 L570 G571 S575A566-L573 WeakPolarHBondContact CB-O 3.47Å; S569-L573 PolarHBondContact OG-O 2.8Å; L570-L573 PolarHBondContact O-N 2.98Å; G571-L573 PolarHBondContact O-N 3.37Å; L573-S575 PolarHBondContact O-N 3.3Å
574G70.4Confident77.6Confident13 Ų1339.2 Ų39.213%0.13421%0.21CC..THydrogen-bonded Turntrans7119.3-179.400000113.9G572 A591G572-G574 PolarHBondContact O-N 3.11Å; G574-A591 WeakPolarHBondContact O-CB 3.26Å
575S81.9Confident77.7Confident15 Ų1543.3 Ų43.311%0.10523%0.229CC..  trans-89.7151.4169.368.20000112.2A564 G572 L573 S768A564-S575 CarbonylContact O-C 3.56Å; A564-S575 WeakPolarHBondContact O-CA 3.4Å; G572-S575 WeakPolarHBondContact O-CB 3.33Å; G572-S575 PolarHBondContact O-N 3.16Å; G572-S575 VanDerWaalsContact O-N 3.17Å; G572-S575 PolarHBondContact O-OG 3.3Å; L573-S575 PolarHBondContact O-N 3.3Å; S575-S768 WeakPolarHBondContact CB-OG 3.41Å; S575-S768 PolarHBondContact O-OG 2.91Å; S575-S768 VanDerWaalsContact OG-C 3.28Å; S575-S768 WeakPolarHBondContact OG-CB 3.38Å; S575-S768 PolarHBondContact OG-O 2.96Å; S575-S768 PolarHBondContact OG-OG 3.12Å
576G85.1Confident77.9Confident10 Ų1045 Ų4510%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-173.9165.317300000112.8A564 S768A564-G576 PolarHBondContact N-O 2.57Å; A564-G576 PolarHBondContact O-N 3.43Å; G576-S768 PolarHBondContact N-OG 2.77Å
577F88Confident78.4Confident42 Ų4246.2 Ų46.218%0.18425%0.252CS..EExtended strand (participates in β ladder)trans-96.7140.6174.6-66.5-85.4000110.5V562 M563 L587 S603 K605 G635V562-F577 WeakPolarHBondContact O-CA 3.22Å; M563-F577 HydrophobicContact CB-CD1 3.97Å; M563-F577 HydrophobicContact CB-CE1 3.82Å; M563-F577 HydrophobicContact CE-CZ 4.27Å; M563-F577 HydrophobicContact CG-CD1 4.19Å; M563-F577 HydrophobicContact CG-CE1 3.87Å; M563-F577 HydrophobicContact CG-CZ 4.13Å; M563-F577 HydrophobicContact SD-CE1 4.19Å; M563-F577 HydrophobicContact SD-CZ 4.1Å; F577-L587 WeakPolarHBondContact O-CD1 3.33Å; F577-S603 WeakPolarHBondContact CE1-OG 3.4Å; F577-K605 HydrophobicContact CE1-CB 4.31Å; F577-G635 WeakPolarHBondContact CE2-O 3.3Å
578A89.9Confident79.4Confident0 Ų045.8 Ų45.80%025%0.248CC..EExtended strand (participates in β ladder)trans-120.9127171.200000109.8Y560 P561 V562 E583 L584 L587Y560-A578 WeakPolarHBondContact CD1-O 3.46Å; Y560-A578 HydrophobicContact CE1-CB 4.34Å; P561-A578 CarbonylContact C-O 3.41Å; P561-A578 VanDerWaalsContact CA-O 3.27Å; P561-A578 WeakPolarHBondContact CA-O 3.15Å; V562-A578 HydrophobicContact CG2-CB 4.06Å; V562-A578 PolarHBondContact N-O 3.19Å; V562-A578 PolarHBondContact O-N 2.76Å; A578-E583 HydrophobicContact CB-CB 3.88Å; A578-L584 HydrophobicContact CB-CB 3.6Å; A578-L584 HydrophobicContact CB-CD1 4.21Å; A578-L584 HydrophobicContact CB-CG 4.46Å; A578-L587 HydrophobicContact CB-CD1 4.18Å
579N90Very high80.3Confident90 Ų9046.8 Ų46.848%0.48125%0.254SS..SBendtrans-93.8-14.3175.8-54.9-73.4000112.5Y560 E583Y560-N579 WeakPolarHBondContact CB-O 3.49Å; N579-E583 WeakPolarHBondContact CB-OE2 3.04Å; N579-E583 PolarHBondContact N-OE2 3.27Å; N579-E583 PolarHBondContact ND2-OE2 2.81Å
580N92.9Very high81Confident51 Ų5149.2 Ų49.227%0.27326%0.261SS..SBendtrans-150174.1-178.153.653.3000110.6Y560 E582 E583 L584Y560-N580 VanDerWaalsContact CE1-O 3.22Å; Y560-N580 WeakPolarHBondContact CE1-O 3.47Å; N580-E582 VanDerWaalsContact C-N 3.34Å; N580-E582 PolarHBondContact O-N 3.4Å; N580-E582 PolarHBondContact OD1-N 2.81Å; N580-E582 PolarHBondContact OD1-OE2 3.31Å; N580-E583 PolarHBondContact ND2-OE1 2.87Å; N580-E583 WeakPolarHBondContact OD1-CB 3.26Å; N580-E583 VanDerWaalsContact OD1-CG 3.29Å; N580-E583 WeakPolarHBondContact OD1-CG 3.1Å; N580-E583 PolarHBondContact OD1-N 3.31Å; N580-L584 PolarHBondContact O-N 3.42Å
581E92.6Very high82.1Confident111 Ų11148 Ų4852%0.51926%0.255SS..Hα-helixtrans-63.3-37.9-178.6-159179.9158.300112.3L552 Y560 L584 Q585L552-E581 HydrophobicContact CB-CG 4.48Å; L552-E581 HydrophobicContact CD1-CG 4.04Å; L552-E581 HydrophobicContact CD2-CG 3.61Å; L552-E581 HydrophobicContact CG-CG 4.21Å; Y560-E581 WeakPolarHBondContact OH-CA 3.45Å; E581-L584 PolarHBondContact O-N 3.15Å; E581-Q585 WeakPolarHBondContact O-CB 3.19Å; E581-Q585 PolarHBondContact O-N 3.4Å
582E90.3Very high83Confident142 Ų14249 Ų4966%0.66426%0.257SS*.Hα-helixtrans-65.9-44.8-179.2-62.396.1172.300112.5N580 L584 Q585 S586N580-E582 VanDerWaalsContact C-N 3.34Å; N580-E582 PolarHBondContact O-N 3.4Å; N580-E582 PolarHBondContact OD1-N 2.81Å; N580-E582 PolarHBondContact OD1-OE2 3.31Å; E582-L584 VanDerWaalsContact C-N 3.33Å; E582-L584 PolarHBondContact O-N 3.26Å; E582-Q585 PolarHBondContact O-N 2.92Å; E582-S586 PolarHBondContact O-N 2.99Å
583E90.8Very high83.2Confident70 Ų7049.2 Ų49.233%0.32726%0.257SS..Hα-helixtrans-61.9-42.1176-76169.1-152.600111.2A578 N579 N580 S586 L587A578-E583 HydrophobicContact CB-CB 3.88Å; N579-E583 WeakPolarHBondContact CB-OE2 3.04Å; N579-E583 PolarHBondContact N-OE2 3.27Å; N579-E583 PolarHBondContact ND2-OE2 2.81Å; N580-E583 PolarHBondContact ND2-OE1 2.87Å; N580-E583 WeakPolarHBondContact OD1-CB 3.26Å; N580-E583 VanDerWaalsContact OD1-CG 3.29Å; N580-E583 WeakPolarHBondContact OD1-CG 3.1Å; N580-E583 PolarHBondContact OD1-N 3.31Å; E583-S586 PolarHBondContact O-N 3.11Å; E583-L587 WeakPolarHBondContact O-CG 3.31Å; E583-L587 PolarHBondContact O-N 3.27Å
584L91.9Very high83.1Confident0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-66.8-40.1178.9-176.758.8000111.9A551 L552 A555 Y560 V562 A564 A578 N580 E581 E582 S586 L587 A588A551-L584 WeakPolarHBondContact O-CD2 3.4Å; L552-L584 HydrophobicContact CD2-CB 4.04Å; L552-L584 HydrophobicContact CD2-CD2 3.89Å; L552-L584 HydrophobicContact CD2-CG 3.97Å; A555-L584 HydrophobicContact CB-CD2 3.24Å; Y560-L584 HydrophobicContact CE1-CB 4.26Å; Y560-L584 HydrophobicContact CE1-CD2 4.21Å; Y560-L584 WeakPolarHBondContact OH-CD2 3.34Å; V562-L584 HydrophobicContact CG2-CD1 4.19Å; V562-L584 HydrophobicContact CG2-CD2 4.13Å; A564-L584 HydrophobicContact CB-CD1 3.99Å; A578-L584 HydrophobicContact CB-CB 3.6Å; A578-L584 HydrophobicContact CB-CD1 4.21Å; A578-L584 HydrophobicContact CB-CG 4.46Å; N580-L584 PolarHBondContact O-N 3.42Å; E581-L584 PolarHBondContact O-N 3.15Å; E582-L584 VanDerWaalsContact C-N 3.33Å; E582-L584 PolarHBondContact O-N 3.26Å; L584-S586 VanDerWaalsContact C-N 3.31Å; L584-S586 PolarHBondContact O-N 2.84Å; L584-L587 PolarHBondContact O-N 3.27Å; L584-A588 WeakPolarHBondContact O-CB 3.41Å; L584-A588 PolarHBondContact O-N 3.33Å
585Q89.6Confident83.1Confident86 Ų8650.4 Ų50.440%0.40226%0.26SS..Hα-helixtrans-58.8-44.2176.6-176.1174.9-3.300111.3V548 L552 E581 E582 Q589V548-Q585 HydrophobicContact CG1-CB 4.48Å; V548-Q585 HydrophobicContact CG1-CG 3.88Å; L552-Q585 HydrophobicContact CD2-CB 4.39Å; E581-Q585 WeakPolarHBondContact O-CB 3.19Å; E581-Q585 PolarHBondContact O-N 3.4Å; E582-Q585 PolarHBondContact O-N 2.92Å; Q585-Q589 VanDerWaalsContact O-CG 3.28Å; Q585-Q589 WeakPolarHBondContact O-CG 3.47Å; Q585-Q589 PolarHBondContact O-N 3.42Å; Q585-Q589 VanDerWaalsContact O-N 3.13Å
586S82.1Confident82.6Confident74 Ų7454.5 Ų54.552%0.51729%0.289SS..Hα-helixtrans-64.1-47.4177.4-174.60000112E582 E583 L584 Q589 Q590E582-S586 PolarHBondContact O-N 2.99Å; E583-S586 PolarHBondContact O-N 3.11Å; L584-S586 VanDerWaalsContact C-N 3.31Å; L584-S586 PolarHBondContact O-N 2.84Å; S586-Q589 PolarHBondContact O-N 3.05Å; S586-Q590 PolarHBondContact O-N 3.35Å
587L83.7Confident82.5Confident34 Ų3454.9 Ų54.918%0.17829%0.288CS..Hα-helixtrans-64-44.1179.1-74.9171.4000112.1A564 F577 A578 E583 L584 Q589 Q590 A591A564-L587 HydrophobicContact CB-CB 4.37Å; F577-L587 WeakPolarHBondContact O-CD1 3.33Å; A578-L587 HydrophobicContact CB-CD1 4.18Å; E583-L587 WeakPolarHBondContact O-CG 3.31Å; E583-L587 PolarHBondContact O-N 3.27Å; L584-L587 PolarHBondContact O-N 3.27Å; L587-Q589 PolarHBondContact O-N 2.84Å; L587-Q590 PolarHBondContact O-N 2.63Å; L587-A591 WeakPolarHBondContact O-CB 3.36Å; L587-A591 PolarHBondContact O-N 3.5Å
588A85.8Confident82.3Confident0 Ų052.9 Ų52.90%028%0.279CS..Hα-helixtrans-64.4-39.3-17900000112.1V548 A551 L584 Q590 L592 L598V548-A588 HydrophobicContact CG1-CB 4.42Å; V548-A588 HydrophobicContact CG2-CB 4.21Å; A551-A588 HydrophobicContact CB-CB 3.98Å; L584-A588 WeakPolarHBondContact O-CB 3.41Å; L584-A588 PolarHBondContact O-N 3.33Å; A588-Q590 VanDerWaalsContact C-N 3.33Å; A588-Q590 PolarHBondContact O-N 3.36Å; A588-L592 VanDerWaalsContact O-CB 3.26Å; A588-L592 WeakPolarHBondContact O-CB 3.27Å; A588-L592 VanDerWaalsContact O-CG 3.3Å; A588-L592 WeakPolarHBondContact O-CG 3.34Å; A588-L592 PolarHBondContact O-N 3.32Å; A588-L598 HydrophobicContact CB-CD2 3.53Å
589Q81Confident81.9Confident113 Ų11353 Ų5353%0.52828%0.28SS..Hα-helixtrans-61-41.7174.9-77.41774.400112.1V548 Q585 S586 L587V548-Q589 HydrophobicContact CG2-CG 3.77Å; Q585-Q589 VanDerWaalsContact O-CG 3.28Å; Q585-Q589 WeakPolarHBondContact O-CG 3.47Å; Q585-Q589 PolarHBondContact O-N 3.42Å; Q585-Q589 VanDerWaalsContact O-N 3.13Å; S586-Q589 PolarHBondContact O-N 3.05Å; L587-Q589 PolarHBondContact O-N 2.84Å
590Q73.7Confident81.9Confident92 Ų9248.8 Ų48.843%0.4326%0.257SS..Hα-helixtrans-72.4-46.2179.3-171.5178.7-0.100112S586 L587 A588 A593 H594S586-Q590 PolarHBondContact O-N 3.35Å; L587-Q590 PolarHBondContact O-N 2.63Å; A588-Q590 VanDerWaalsContact C-N 3.33Å; A588-Q590 PolarHBondContact O-N 3.36Å; Q590-A593 WeakPolarHBondContact O-CB 3.47Å; Q590-A593 PolarHBondContact O-N 3.31Å; Q590-H594 PolarHBondContact O-CD2 3.09Å
591A76.8Confident81.6Confident1 Ų146.5 Ų46.51%0.00825%0.245CC..Hα-helixtrans-65.9-42.4-177.600000112.8A566 G574 L587 A593 H594 S595 L598A566-A591 HydrophobicContact CB-CB 4.42Å; G574-A591 WeakPolarHBondContact O-CB 3.26Å; L587-A591 WeakPolarHBondContact O-CB 3.36Å; L587-A591 PolarHBondContact O-N 3.5Å; A591-A593 PolarHBondContact O-N 2.89Å; A591-H594 PolarHBondContact O-N 2.8Å; A591-H594 VanDerWaalsContact O-N 3.08Å; A591-S595 PolarHBondContact O-N 2.84Å; A591-L598 HydrophobicContact CB-CD1 3.4Å; A591-L598 VanDerWaalsContact CB-CD1 3.4Å
592L76.8Confident81.5Confident38 Ų3846 Ų4620%0.19924%0.241CC..Hα-helixtrans-67.3-13.3178.4-72169.2000113.5V548 A588 S595 L598V548-L592 HydrophobicContact CG2-CD1 4.15Å; A588-L592 VanDerWaalsContact O-CB 3.26Å; A588-L592 WeakPolarHBondContact O-CB 3.27Å; A588-L592 VanDerWaalsContact O-CG 3.3Å; A588-L592 WeakPolarHBondContact O-CG 3.34Å; A588-L592 PolarHBondContact O-N 3.32Å; L592-S595 CarbonylContact C-O 3.52Å; L592-S595 VanDerWaalsContact CA-O 3.24Å; L592-S595 WeakPolarHBondContact CA-O 3.48Å; L592-L598 HydrophobicContact CD2-CB 3.81Å; L592-L598 HydrophobicContact CG-CB 4.1Å
593A67.3Low81.4Confident21 Ų2140.2 Ų40.217%0.17422%0.216CC..Hα-helixtrans-76.8-31.1172.200000113.1Q590 A591 K1402 Y1437Q590-A593 WeakPolarHBondContact O-CB 3.47Å; Q590-A593 PolarHBondContact O-N 3.31Å; A591-A593 PolarHBondContact O-N 2.89Å; A593-K1402 PolarHBondContact O-NZ 3.02Å; A593-Y1437 HydrophobicContact CB-CD1 3.81Å; A593-Y1437 HydrophobicContact CB-CE1 3.61Å
594H65.3Low81.4Confident48 Ų4837.6 Ų37.622%0.22220%0.204CC..Hα-helixtrans-87.8-39179-70-73.8000112.5Q590 A591 D1436Q590-H594 PolarHBondContact O-CD2 3.09Å; A591-H594 PolarHBondContact O-N 2.8Å; A591-H594 VanDerWaalsContact O-N 3.08Å; H594-D1436 PolarHBondContact CE1-O 3.48Å; H594-D1436 PolarHBondContact ND1-O 3.42Å; H594-D1436 PolarHBondContact NE2-O 2.98Å
595S69.8Low81.3Confident20 Ų2043.3 Ų43.314%0.1423%0.229CC..  trans-129143.7-178.6-1720000110.5A567 A591 L592 Q597A567-S595 PolarHBondContact O-OG 2.9Å; A591-S595 PolarHBondContact O-N 2.84Å; L592-S595 CarbonylContact C-O 3.52Å; L592-S595 VanDerWaalsContact CA-O 3.24Å; L592-S595 WeakPolarHBondContact CA-O 3.48Å; S595-Q597 PolarHBondContact O-N 3.21Å; S595-Q597 VanDerWaalsContact O-N 3.16Å; S595-Q597 PolarHBondContact OG-O 3.16Å
596S72.1Confident81.3Confident102 Ų10239.8 Ų39.871%0.71322%0.216SC*.SBendtrans-69.7-6.2175.454.20000113.5Y546Y546-S596 WeakPolarHBondContact CD1-O 3.36Å
597Q81Confident81.9Confident17 Ų1738.5 Ų38.58%0.07920%0.2CC..  trans-136.3133.7-176.6-176-176.151.600109.8A544 Y546 A567 S595 I599A544-Q597 HydrophobicContact CB-CG 4.5Å; Y546-Q597 HydrophobicContact CD1-CB 4.4Å; Y546-Q597 HydrophobicContact CE1-CB 4.13Å; Y546-Q597 HydrophobicContact CE1-CG 4.03Å; Y546-Q597 PolarHBondContact OH-NE2 2.93Å; A567-Q597 HydrophobicContact CB-CB 4.05Å; A567-Q597 HydrophobicContact CB-CG 4.27Å; A567-Q597 VanDerWaalsContact CB-OE1 3.28Å; A567-Q597 PolarHBondContact N-O 2.77Å; S595-Q597 PolarHBondContact O-N 3.21Å; S595-Q597 VanDerWaalsContact O-N 3.16Å; S595-Q597 PolarHBondContact OG-O 3.16Å; Q597-I599 HydrophobicContact CG-CD1 4.16Å
598L84.1Confident82.5Confident0 Ų037.8 Ų37.80%020%0.195CC..EExtended strand (participates in β ladder)trans-114.6142172.1176.272.8000108.2V545 A551 A564 R565 A588 A591 L592V545-L598 HydrophobicContact CG2-CB 3.79Å; V545-L598 HydrophobicContact CG2-CD2 3.92Å; V545-L598 HydrophobicContact CG2-CG 4.02Å; V545-L598 WeakPolarHBondContact CG2-O 3.26Å; V545-L598 PolarHBondContact N-O 3.03Å; V545-L598 PolarHBondContact O-N 2.8Å; V545-L598 VanDerWaalsContact O-O 3.07Å; A551-L598 HydrophobicContact CB-CD2 3.97Å; A564-L598 HydrophobicContact CB-CD1 3.93Å; A564-L598 HydrophobicContact CB-CD2 4.47Å; R565-L598 CarbonylContact O-C 3.52Å; R565-L598 WeakPolarHBondContact O-CA 3.4Å; R565-L598 VanDerWaalsContact O-CD1 3.24Å; R565-L598 WeakPolarHBondContact O-CD1 3.45Å; A588-L598 HydrophobicContact CB-CD2 3.53Å; A591-L598 HydrophobicContact CB-CD1 3.4Å; A591-L598 VanDerWaalsContact CB-CD1 3.4Å; L592-L598 HydrophobicContact CD2-CB 3.81Å; L592-L598 HydrophobicContact CG-CB 4.1Å
599I83.3Confident83Confident4 Ų438.1 Ų38.12%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-110.2130.3173.8-52.5-59.8000107.8R525 A544 A564 R565 Q597R525-I599 HydrophobicContact CB-CD1 4.27Å; R525-I599 HydrophobicContact CB-CG1 4.18Å; R525-I599 HydrophobicContact CG-CG1 4.22Å; A544-I599 HydrophobicContact CB-CD1 3.54Å; A564-I599 CarbonylContact C-O 3.35Å; A564-I599 WeakPolarHBondContact CA-O 3.36Å; R565-I599 PolarHBondContact N-O 3.41Å; R565-I599 PolarHBondContact O-N 2.73Å; Q597-I599 HydrophobicContact CG-CD1 4.16Å
600V88.9Confident83.8Confident0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-108.2116.8173.3-174.30000107.8S542 E543 V545 A551 A554 A555 L558 V562 M563S542-V600 CarbonylContact C-O 3.55Å; S542-V600 VanDerWaalsContact CA-O 3.23Å; S542-V600 WeakPolarHBondContact CA-O 3.3Å; E543-V600 PolarHBondContact N-O 3.18Å; E543-V600 PolarHBondContact O-N 3.48Å; V545-V600 HydrophobicContact CG1-CG2 4.47Å; V545-V600 HydrophobicContact CG2-CG2 3.98Å; A551-V600 HydrophobicContact CB-CG2 4.17Å; A554-V600 HydrophobicContact CB-CB 4.31Å; A554-V600 HydrophobicContact CB-CG2 4.44Å; A555-V600 HydrophobicContact CB-CG1 4.3Å; L558-V600 HydrophobicContact CD1-CB 4.18Å; L558-V600 HydrophobicContact CD1-CG1 3.85Å; L558-V600 WeakPolarHBondContact CD1-O 3.48Å; V562-V600 HydrophobicContact CB-CG1 3.79Å; V562-V600 HydrophobicContact CG1-CG1 4.12Å; V562-V600 HydrophobicContact CG2-CG1 3.94Å; M563-V600 CarbonylContact O-C 3.54Å; M563-V600 WeakPolarHBondContact O-CA 3.46Å
601D87.2Confident84.9Confident4 Ų428.4 Ų28.42%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-107.6150.1177.7-49.2-83.6000110.9P541 S542 V562 M563 R565 S603P541-D601 WeakPolarHBondContact O-CA 3.4Å; S542-D601 WeakPolarHBondContact CB-OD1 3.27Å; V562-D601 CarbonylContact C-O 3.43Å; V562-D601 VanDerWaalsContact CA-O 3.31Å; V562-D601 WeakPolarHBondContact CA-O 3.25Å; V562-D601 WeakPolarHBondContact CB-O 3.45Å; M563-D601 HydrophobicContact CB-CB 4.34Å; M563-D601 PolarHBondContact N-O 3.07Å; M563-D601 PolarHBondContact O-N 3.48Å; R565-D601 IonicContact CZ-OD1 3.9Å; R565-D601 IonicContact CZ-OD2 3.36Å; R565-D601 IonicContact NE-OD2 3.58Å; R565-D601 PolarHBondContact NE-OD2 3.35Å; R565-D601 IonicContact NH2-OD1 3.61Å; R565-D601 PolarHBondContact NH2-OD1 3.05Å; R565-D601 IonicContact NH2-OD2 2.82Å; R565-D601 PolarHBondContact NH2-OD2 3.31Å; D601-S603 PolarHBondContact O-N 2.94Å
602K89Confident85.9Confident101 Ų10128.3 Ų28.344%0.43915%0.151SC..EExtended strand (participates in β ladder)trans-60126.8162.5-175.6175.5-178.1179.10109.1P541 L604P541-K602 HydrophobicContact CB-CB 4.25Å; P541-K602 HydrophobicContact CG-CB 4.5Å; P541-K602 HydrophobicContact CG-CD 4.37Å; P541-K602 PolarHBondContact O-N 2.91Å; K602-L604 PolarHBondContact O-N 3.4Å
603S89.7Confident86.8Confident19 Ų1926.5 Ų26.513%0.13314%0.141CC..  trans-66.6129.3179.8-1770000111.2P561 F577 D601 K605P561-S603 WeakPolarHBondContact O-CB 3.22Å; P561-S603 PolarHBondContact O-N 2.99Å; F577-S603 WeakPolarHBondContact CE1-OG 3.4Å; D601-S603 PolarHBondContact O-N 2.94Å; S603-K605 WeakPolarHBondContact OG-CB 3.44Å; S603-K605 PolarHBondContact OG-N 2.99Å
604L90.2Very high88.2Confident16 Ų1625.5 Ų25.58%0.08413%0.133CC..  trans-106.623.4170.6-59.8178000110.9A540 K602 G606 W607 L634 A680 Y689A540-L604 HydrophobicContact CB-CD1 3.9Å; A540-L604 HydrophobicContact CB-CG 4.48Å; K602-L604 PolarHBondContact O-N 3.4Å; L604-G606 PolarHBondContact O-N 3.36Å; L604-W607 HydrophobicContact CB-CD2 4.42Å; L604-W607 HydrophobicContact CB-CG 4.23Å; L604-W607 HydrophobicContact CD2-CD2 4.37Å; L604-W607 HydrophobicContact CD2-CH2 4.48Å; L604-W607 HydrophobicContact CD2-CZ2 4.15Å; L604-W607 WeakPolarHBondContact O-CB 3.48Å; L604-W607 VanDerWaalsContact O-CG 3.31Å; L604-W607 PolarHBondContact O-N 3.4Å; L604-L634 HydrophobicContact CB-CD2 3.52Å; L604-A680 HydrophobicContact CB-CB 4.38Å; L604-A680 HydrophobicContact CD1-CB 3.65Å; L604-Y689 HydrophobicContact CD1-CD2 3.6Å; L604-Y689 HydrophobicContact CD1-CG 3.98Å; L604-Y689 HydrophobicContact CD2-CD2 3.84Å; L604-Y689 HydrophobicContact CD2-CE2 4.02Å; L604-Y689 HydrophobicContact CG-CD2 4.4Å
605K89.1Confident89.7Confident119 Ų11923.2 Ų23.252%0.51712%0.123SC..THydrogen-bonded Turntrans-54.6132.5-178.4-174.9178.3179.5-178.10111F577 S603 L634F577-K605 HydrophobicContact CE1-CB 4.31Å; S603-K605 WeakPolarHBondContact OG-CB 3.44Å; S603-K605 PolarHBondContact OG-N 2.99Å; K605-L634 CarbonylContact C-O 3.56Å; K605-L634 VanDerWaalsContact CA-O 3.26Å; K605-L634 WeakPolarHBondContact CA-O 3.39Å
606G90.2Very high90.9Very high13 Ų1323.3 Ų23.313%0.13412%0.12CC..THydrogen-bonded Turntrans92.6-3.4-178.500000115.3L604 L634L604-G606 PolarHBondContact O-N 3.36Å; G606-L634 PolarHBondContact N-O 3.41Å
607W95.4Very high91.9Very high47 Ų4718.5 Ų18.518%0.1789%0.086CC..SBendtrans-77.9160.4174.8-70.644.3000111.1L604 L634 A680 L681 C682 Q687 Y689L604-W607 HydrophobicContact CB-CD2 4.42Å; L604-W607 HydrophobicContact CB-CG 4.23Å; L604-W607 HydrophobicContact CD2-CD2 4.37Å; L604-W607 HydrophobicContact CD2-CH2 4.48Å; L604-W607 HydrophobicContact CD2-CZ2 4.15Å; L604-W607 WeakPolarHBondContact O-CB 3.48Å; L604-W607 VanDerWaalsContact O-CG 3.31Å; L604-W607 PolarHBondContact O-N 3.4Å; W607-L634 HydrophobicContact CB-CB 4.38Å; W607-L634 WeakPolarHBondContact O-CB 3.47Å; W607-L634 PolarHBondContact O-N 3.04Å; W607-A680 HydrophobicContact CB-CB 4.41Å; W607-A680 HydrophobicContact CE3-CB 4.26Å; W607-L681 VanDerWaalsContact CE3-C 3.5Å; W607-C682 HydrophobicContact CD2-CB 4.39Å; W607-C682 VanDerWaalsContact CE3-CA 3.5Å; W607-C682 HydrophobicContact CE3-CB 3.88Å; W607-C682 HydrophobicContact CH2-CB 3.76Å; W607-C682 HydrophobicContact CZ2-CB 4.29Å; W607-C682 HydrophobicContact CZ3-CB 3.54Å; W607-Q687 HydrophobicContact CH2-CB 4.49Å; W607-Q687 HydrophobicContact CH2-CG 4.12Å; W607-Q687 HydrophobicContact CZ3-CG 4.37Å; W607-Q687 WeakPolarHBondContact CZ3-O 3.23Å; W607-Y689 HydrophobicContact CH2-CD2 4.21Å; W607-Y689 AromaticContact CH2-CE2 3.97Å; W607-Y689 HydrophobicContact CH2-CE2 3.97Å; W607-Y689 AromaticContact CZ3-CD2 3.97Å; W607-Y689 HydrophobicContact CZ3-CD2 3.97Å; W607-Y689 HydrophobicContact CZ3-CE2 4.19Å
608K96.3Very high92.3Very high19 Ų1919.4 Ų19.48%0.08310%0.096CC..EExtended strand (participates in β ladder)trans-70.9134.4173-59.4-171.2175.7-160.70108.9T649 A680 L681 P683 D848K608-T649 PolarHBondContact NZ-OG1 2.97Å; K608-A680 CarbonylContact O-C 3.32Å; K608-A680 WeakPolarHBondContact O-CA 3.17Å; K608-L681 HydrophobicContact CB-CB 4.29Å; K608-L681 PolarHBondContact N-O 3.3Å; K608-L681 PolarHBondContact O-N 2.91Å; K608-P683 HydrophobicContact CG-CB 4.47Å; K608-P683 HydrophobicContact CG-CG 4.18Å; K608-D848 WeakPolarHBondContact CE-OD2 3.42Å; K608-D848 IonicContact NZ-OD2 3.92Å; K608-D848 PolarHBondContact NZ-OD2 2.88Å
609E96.5Very high92.5Very high7 Ų723.5 Ų23.53%0.03311%0.112CC..EExtended strand (participates in β ladder)trans-106.3120.3175.2-173.3169.2-151.800109.1N630 L634 T638 Y679 I691E609-N630 HydrophobicContact CB-CB 4.03Å; E609-N630 WeakPolarHBondContact CG-ND2 3Å; E609-N630 PolarHBondContact O-N 3.31Å; E609-N630 PolarHBondContact OE2-ND2 2.89Å; E609-L634 HydrophobicContact CB-CB 4.42Å; E609-L634 HydrophobicContact CB-CD1 4.49Å; E609-L634 HydrophobicContact CG-CD1 4.27Å; E609-L634 WeakPolarHBondContact OE1-CD1 3.41Å; E609-T638 PolarHBondContact OE1-OG1 2.96Å; E609-Y679 WeakPolarHBondContact CA-O 3.47Å; E609-I691 HydrophobicContact CG-CD1 4.03Å
610V97.4Very high92.7Very high0 Ų024.9 Ų24.90%012%0.12CC..EExtended strand (participates in β ladder)trans-128137.5-172-179.20000109.1Y612 M628 L650 L658 Q678 Y679V610-Y612 HydrophobicContact CG1-CD2 4.23Å; V610-Y612 HydrophobicContact CG1-CE2 3.84Å; V610-M628 WeakPolarHBondContact CA-O 3.26Å; V610-M628 WeakPolarHBondContact CG1-O 3.46Å; V610-L650 HydrophobicContact CG1-CD1 3.79Å; V610-L650 HydrophobicContact CG2-CD1 4.09Å; V610-L650 HydrophobicContact CG2-CD2 4.17Å; V610-L658 HydrophobicContact CB-CD1 4.12Å; V610-L658 HydrophobicContact CG1-CD1 3.86Å; V610-L658 HydrophobicContact CG2-CD1 4.36Å; V610-Q678 CarbonylContact O-C 3.57Å; V610-Q678 WeakPolarHBondContact O-CA 3.41Å; V610-Y679 PolarHBondContact N-O 2.95Å; V610-Y679 PolarHBondContact O-N 3.45Å
611E96.5Very high92.9Very high0 Ų025 Ų250%012%0.121CC..EExtended strand (participates in β ladder)trans-122.6145.7-179.7-34.3-161.6144.400111.7N627 M628 T638 I677 Q678 S700E611-N627 WeakPolarHBondContact O-CA 3.18Å; E611-M628 HydrophobicContact CB-CB 4.18Å; E611-M628 HydrophobicContact CB-CE 4.45Å; E611-M628 HydrophobicContact CG-CB 4.43Å; E611-M628 PolarHBondContact N-O 3.05Å; E611-M628 PolarHBondContact O-N 2.82Å; E611-T638 VanDerWaalsContact CD-CG2 3.43Å; E611-T638 WeakPolarHBondContact OE1-CB 3.5Å; E611-T638 WeakPolarHBondContact OE1-CG2 3.3Å; E611-T638 PolarHBondContact OE1-OG1 3.47Å; E611-I677 WeakPolarHBondContact CA-O 3.42Å; E611-Q678 HydrophobicContact CB-CG 4.29Å; E611-Q678 HydrophobicContact CG-CG 3.97Å; E611-Q678 PolarHBondContact OE1-NE2 2.97Å; E611-S700 WeakPolarHBondContact OE2-CB 3.23Å; E611-S700 PolarHBondContact OE2-OG 2.9Å
612Y97.1Very high93.3Very high0 Ų025.1 Ų25.10%012%0.122CC..EExtended strand (participates in β ladder)trans-125.7131.2170-81.6-102.3000110.1V610 T624 C626 N627 Y655 L658 R659 I677 Y679V610-Y612 HydrophobicContact CG1-CD2 4.23Å; V610-Y612 HydrophobicContact CG1-CE2 3.84Å; Y612-T624 HydrophobicContact CD1-CG2 3.96Å; Y612-C626 WeakPolarHBondContact CA-O 3.5Å; Y612-N627 HydrophobicContact CD1-CB 4.02Å; Y612-N627 HydrophobicContact CE1-CB 3.64Å; Y612-N627 HydrophobicContact CE2-CB 4.26Å; Y612-N627 HydrophobicContact CG-CB 4.48Å; Y612-Y655 HydrophobicContact CE1-CE2 4.48Å; Y612-Y655 WeakPolarHBondContact OH-CA 3.4Å; Y612-Y655 VanDerWaalsContact OH-CD2 3.23Å; Y612-Y655 WeakPolarHBondContact OH-CD2 3.32Å; Y612-Y655 VanDerWaalsContact OH-CG 3.31Å; Y612-Y655 PolarHBondContact OH-O 3.21Å; Y612-L658 HydrophobicContact CD2-CB 4.32Å; Y612-L658 HydrophobicContact CE2-CB 3.67Å; Y612-L658 HydrophobicContact CE2-CD1 4.38Å; Y612-R659 HydrophobicContact CE1-CB 3.92Å; Y612-R659 HydrophobicContact CE1-CG 4.43Å; Y612-I677 PolarHBondContact N-O 3.23Å; Y612-I677 PolarHBondContact O-N 3.1Å; Y612-Y679 HydrophobicContact CD2-CD2 4.22Å; Y612-Y679 AromaticContact CD2-CE2 3.84Å; Y612-Y679 HydrophobicContact CD2-CE2 3.84Å
613E96.8Very high93.6Very high0 Ų020.4 Ų20.40%010%0.101CC..EExtended strand (participates in β ladder)trans-91.7123.4170.1-162.974.3169.800109.4T624 V625 C626 E674 N676 S701 A704 L712E613-T624 CarbonylContact O-C 3.59Å; E613-T624 VanDerWaalsContact O-CA 3.29Å; E613-T624 WeakPolarHBondContact O-CA 3.21Å; E613-V625 PolarHBondContact O-N 3.06Å; E613-C626 HydrophobicContact CB-CB 4.05Å; E613-C626 PolarHBondContact N-O 2.84Å; E613-E674 VanDerWaalsContact CD-OE1 3.29Å; E613-E674 HydrophobicContact CG-CG 4.25Å; E613-E674 VanDerWaalsContact OE1-CG 3.26Å; E613-E674 WeakPolarHBondContact OE1-CG 2.99Å; E613-N676 WeakPolarHBondContact OE2-CB 3.14Å; E613-N676 PolarHBondContact OE2-ND2 3.28Å; E613-N676 VanDerWaalsContact OE2-ND2 3.17Å; E613-S701 WeakPolarHBondContact OE1-CA 3.28Å; E613-S701 WeakPolarHBondContact OE1-CB 3.49Å; E613-S701 PolarHBondContact OE1-OG 2.96Å; E613-A704 HydrophobicContact CB-CB 4.23Å; E613-A704 HydrophobicContact CG-CB 4.12Å; E613-L712 HydrophobicContact CG-CD1 3.69Å; E613-L712 HydrophobicContact CG-CD2 4.13Å
614V96.8Very high93.9Very high0 Ų019.6 Ų19.60%010%0.096CC..EExtended strand (participates in β ladder)trans-123.3137.4-170.9-168.80000110.1I623 T624 A662 L663 I666 E674 C675 I677V614-I623 WeakPolarHBondContact CA-O 3.47Å; V614-I623 WeakPolarHBondContact CG1-O 3.29Å; V614-T624 HydrophobicContact CG2-CG2 4.24Å; V614-A662 HydrophobicContact CG2-CB 3.92Å; V614-L663 HydrophobicContact CG1-CD2 4.06Å; V614-I666 HydrophobicContact CB-CG1 4.08Å; V614-I666 HydrophobicContact CG1-CB 4.18Å; V614-I666 HydrophobicContact CG1-CG1 3.99Å; V614-I666 HydrophobicContact CG1-CG2 4.04Å; V614-I666 HydrophobicContact CG2-CG1 4.11Å; V614-E674 CarbonylContact O-C 3.48Å; V614-E674 VanDerWaalsContact O-CA 3.3Å; V614-E674 WeakPolarHBondContact O-CA 3.49Å; V614-C675 PolarHBondContact N-O 3.39Å; V614-C675 PolarHBondContact O-N 2.83Å; V614-I677 HydrophobicContact CG2-CG2 4.05Å
615V95.9Very high94Very high0 Ų019 Ų190%09%0.093CC..EExtended strand (participates in β ladder)trans-121132.2174.8176.50000109.6C622 I623 V625 G673 E674 L712 V715 L719 L725V615-C622 CarbonylContact O-C 3.56Å; V615-C622 VanDerWaalsContact O-CA 3.29Å; V615-C622 WeakPolarHBondContact O-CA 3.16Å; V615-I623 HydrophobicContact CB-CD1 4.45Å; V615-I623 HydrophobicContact CB-CG1 4.02Å; V615-I623 PolarHBondContact N-O 3.26Å; V615-I623 PolarHBondContact O-N 2.9Å; V615-V625 HydrophobicContact CB-CG2 4.26Å; V615-V625 HydrophobicContact CG2-CG2 3.59Å; V615-G673 CarbonylContact C-O 3.49Å; V615-G673 WeakPolarHBondContact CA-O 3.46Å; V615-E674 HydrophobicContact CG2-CB 4.21Å; V615-L712 HydrophobicContact CG2-CD2 3.49Å; V615-L712 VanDerWaalsContact CG2-CD2 3.49Å; V615-V715 HydrophobicContact CG1-CG1 4.16Å; V615-L719 HydrophobicContact CG1-CD1 3.4Å; V615-L719 VanDerWaalsContact CG1-CD1 3.4Å; V615-L725 HydrophobicContact CG1-CD1 4.19Å; V615-L725 HydrophobicContact CG1-CD2 4.16Å
616R94.9Very high94.3Very high22 Ų2213.7 Ų13.78%0.0837%0.07CC..EExtended strand (participates in β ladder)trans-138.4134.1-179.5-174.8175.5173.7-79.5-2.9112.4N620 N621 C622 I666 V671 V672 G673R616-N620 PolarHBondContact NE-OD1 2.93Å; R616-N620 PolarHBondContact NH2-OD1 2.8Å; R616-N621 VanDerWaalsContact CA-O 3.31Å; R616-N621 WeakPolarHBondContact CA-O 3.32Å; R616-C622 HydrophobicContact CB-CB 4.26Å; R616-C622 HydrophobicContact CG-CB 4.01Å; R616-I666 HydrophobicContact CB-CG2 4.21Å; R616-V671 WeakPolarHBondContact CD-O 3.34Å; R616-V671 WeakPolarHBondContact CG-O 3.2Å; R616-V671 PolarHBondContact NH1-O 2.74Å; R616-V672 CarbonylContact O-C 3.51Å; R616-V672 WeakPolarHBondContact O-CA 3.5Å; R616-G673 PolarHBondContact N-O 2.87Å; R616-G673 PolarHBondContact O-N 2.8Å
617D93.4Very high94.5Very high0 Ų013.2 Ų13.20%07%0.065CC..  trans-92.7174172.374.811.5000113.7Y619 N620 N621 L719 P724 L725D617-Y619 PolarHBondContact O-N 3.04Å; D617-Y619 VanDerWaalsContact OD1-CA 3.3Å; D617-Y619 WeakPolarHBondContact OD1-CA 3.34Å; D617-Y619 PolarHBondContact OD1-N 3.19Å; D617-N620 PolarHBondContact O-N 2.78Å; D617-N620 PolarHBondContact OD1-N 2.82Å; D617-N621 PolarHBondContact N-O 3.5Å; D617-N621 PolarHBondContact OD1-N 2.79Å; D617-N621 WeakPolarHBondContact OD2-CB 3Å; D617-N621 PolarHBondContact OD2-ND2 3.37Å; D617-L719 HydrophobicContact CB-CD2 3.5Å; D617-P724 WeakPolarHBondContact OD2-CA 3.46Å; D617-L725 HydrophobicContact CB-CB 4.1Å; D617-L725 PolarHBondContact OD2-N 2.89Å
618A89.5Confident94.6Very high36 Ų3611 Ų1130%0.2986%0.056SC..THydrogen-bonded Turntrans-68.2-15177.200000113.8V672A618-V672 HydrophobicContact CB-CG1 4.31Å; A618-V672 HydrophobicContact CB-CG2 4.39Å
619Y88.1Confident94.6Very high86 Ų8610.2 Ų10.234%0.3375%0.053SC..THydrogen-bonded Turntrans-100.510.7-178.2-49.5-82.6000112.5R304 D617 N621 G722 P724R304-Y619 WeakPolarHBondContact CD-O 3.36Å; D617-Y619 PolarHBondContact O-N 3.04Å; D617-Y619 VanDerWaalsContact OD1-CA 3.3Å; D617-Y619 WeakPolarHBondContact OD1-CA 3.34Å; D617-Y619 PolarHBondContact OD1-N 3.19Å; Y619-N621 VanDerWaalsContact C-N 3.33Å; Y619-N621 PolarHBondContact O-N 2.87Å; Y619-G722 VanDerWaalsContact CE2-O 3.25Å; Y619-G722 WeakPolarHBondContact CE2-O 3.4Å; Y619-G722 PolarHBondContact OH-O 3.43Å; Y619-P724 HydrophobicContact CD2-CB 3.84Å; Y619-P724 HydrophobicContact CD2-CG 3.75Å; Y619-P724 HydrophobicContact CE2-CB 4.08Å; Y619-P724 HydrophobicContact CE2-CG 3.51Å
620N88.7Confident94.6Very high33 Ų3310.1 Ų10.118%0.1765%0.053CC..  trans71.716.6175.3-157.739.5000115.3R304 R616 D617 C622 R667R304-N620 PolarHBondContact NH2-ND2 3.07Å; R304-N620 PolarHBondContact NH2-O 2.79Å; R616-N620 PolarHBondContact NE-OD1 2.93Å; R616-N620 PolarHBondContact NH2-OD1 2.8Å; D617-N620 PolarHBondContact O-N 2.78Å; D617-N620 PolarHBondContact OD1-N 2.82Å; N620-C622 PolarHBondContact O-N 2.95Å; N620-R667 WeakPolarHBondContact OD1-CG 3.19Å
621N93Very high94.6Very high4 Ų410.3 Ų10.32%0.0215%0.053CC..  trans-70.7123.6161.8-55.6-56.7000107.4C305 R616 D617 Y619 L725 P726C305-N621 PolarHBondContact N-OD1 3.35Å; R616-N621 VanDerWaalsContact CA-O 3.31Å; R616-N621 WeakPolarHBondContact CA-O 3.32Å; D617-N621 PolarHBondContact N-O 3.5Å; D617-N621 PolarHBondContact OD1-N 2.79Å; D617-N621 WeakPolarHBondContact OD2-CB 3Å; D617-N621 PolarHBondContact OD2-ND2 3.37Å; Y619-N621 VanDerWaalsContact C-N 3.33Å; Y619-N621 PolarHBondContact O-N 2.87Å; N621-L725 HydrophobicContact CB-CB 4.26Å; N621-P726 WeakPolarHBondContact ND2-CD 3.31Å
622C94.6Very high94.6Very high6 Ų610.6 Ų10.64%0.0416%0.055CC..EExtended strand (participates in β ladder)trans-143.8124.4-169-164.80000108.8V615 R616 N620 L663 R667V615-C622 CarbonylContact O-C 3.56Å; V615-C622 VanDerWaalsContact O-CA 3.29Å; V615-C622 WeakPolarHBondContact O-CA 3.16Å; R616-C622 HydrophobicContact CB-CB 4.26Å; R616-C622 HydrophobicContact CG-CB 4.01Å; N620-C622 PolarHBondContact O-N 2.95Å; C622-L663 HydrophobicContact CB-CD2 4.12Å; C622-L663 VanDerWaalsContact SG-CD2 3.53Å; C622-R667 HydrophobicContact CB-CG 4.48Å
623I95.2Very high94.4Very high1 Ų111.3 Ų11.31%0.0056%0.06CC..EExtended strand (participates in β ladder)trans-135.7156.3-173.457.8163.3000110.8M307 V614 V615 V625 L725 F740 E741M307-I623 HydrophobicContact CE-CG2 3.84Å; M307-I623 HydrophobicContact CG-CG2 4.07Å; M307-I623 HydrophobicContact SD-CG2 3.94Å; V614-I623 WeakPolarHBondContact CA-O 3.47Å; V614-I623 WeakPolarHBondContact CG1-O 3.29Å; V615-I623 HydrophobicContact CB-CD1 4.45Å; V615-I623 HydrophobicContact CB-CG1 4.02Å; V615-I623 PolarHBondContact N-O 3.26Å; V615-I623 PolarHBondContact O-N 2.9Å; I623-V625 HydrophobicContact CD1-CG2 4.06Å; I623-V625 HydrophobicContact CG1-CG2 4.44Å; I623-L725 HydrophobicContact CD1-CD2 3.82Å; I623-L725 HydrophobicContact CG1-CD2 3.82Å; I623-F740 WeakPolarHBondContact CD1-O 3.47Å; I623-E741 HydrophobicContact CB-CG 3.96Å; I623-E741 HydrophobicContact CG2-CG 4.42Å
624T95.2Very high94.2Very high3 Ų312.5 Ų12.52%0.0187%0.066CC..EExtended strand (participates in β ladder)trans-103.6115.8170.561.60000111.9Y612 E613 V614 R659 A662 L663 E741Y612-T624 HydrophobicContact CD1-CG2 3.96Å; E613-T624 CarbonylContact O-C 3.59Å; E613-T624 VanDerWaalsContact O-CA 3.29Å; E613-T624 WeakPolarHBondContact O-CA 3.21Å; V614-T624 HydrophobicContact CG2-CG2 4.24Å; T624-R659 HydrophobicContact CG2-CG 3.72Å; T624-A662 HydrophobicContact CG2-CB 4.41Å; T624-L663 HydrophobicContact CG2-CD2 3.92Å; T624-L663 HydrophobicContact CG2-CG 4.3Å; T624-E741 PolarHBondContact N-OE1 3.18Å; T624-E741 VanDerWaalsContact O-CB 3.25Å; T624-E741 WeakPolarHBondContact O-CB 3.39Å; T624-E741 WeakPolarHBondContact O-CG 3.47Å; T624-E741 VanDerWaalsContact OG1-CD 3.22Å; T624-E741 PolarHBondContact OG1-OE1 3.03Å; T624-E741 PolarHBondContact OG1-OE2 2.84Å
625V94.2Very high93.8Very high3 Ų313 Ų132%0.0187%0.072CC..EExtended strand (participates in β ladder)trans-83.2-38.3-171.9176.50000112.8E613 V615 I623 Y710 L712 P742E613-V625 PolarHBondContact O-N 3.06Å; V615-V625 HydrophobicContact CB-CG2 4.26Å; V615-V625 HydrophobicContact CG2-CG2 3.59Å; I623-V625 HydrophobicContact CD1-CG2 4.06Å; I623-V625 HydrophobicContact CG1-CG2 4.44Å; V625-Y710 HydrophobicContact CG1-CD1 3.75Å; V625-Y710 HydrophobicContact CG1-CD2 4.17Å; V625-Y710 HydrophobicContact CG1-CE1 4.43Å; V625-Y710 HydrophobicContact CG1-CG 3.59Å; V625-Y710 HydrophobicContact CG2-CD1 4.15Å; V625-Y710 HydrophobicContact CG2-CE1 4Å; V625-Y710 HydrophobicContact CG2-CE2 4.45Å; V625-Y710 HydrophobicContact CG2-CG 4.44Å; V625-L712 HydrophobicContact CB-CD2 3.97Å; V625-L712 HydrophobicContact CG1-CD1 4.48Å; V625-L712 HydrophobicContact CG1-CD2 3.88Å; V625-L712 HydrophobicContact CG1-CG 4.27Å; V625-L712 HydrophobicContact CG2-CD2 3.82Å; V625-P742 HydrophobicContact CG1-CG 3.92Å; V625-P742 WeakPolarHBondContact O-CD 3.24Å; V625-P742 VanDerWaalsContact O-CG 3.3Å; V625-P742 WeakPolarHBondContact O-CG 3.23Å
626C94.6Very high93.6Very high7 Ų713.4 Ų13.45%0.0477%0.073CC..EExtended strand (participates in β ladder)trans-146.6143.2-177.7-168.70000109.7Y612 E613 M628 A704 T708Y612-C626 WeakPolarHBondContact CA-O 3.5Å; E613-C626 HydrophobicContact CB-CB 4.05Å; E613-C626 PolarHBondContact N-O 2.84Å; C626-M628 HydrophobicContact CB-CE 4.39Å; C626-A704 HydrophobicContact CB-CB 3.57Å; C626-T708 HydrophobicContact CB-CG2 3.9Å
627N95Very high93.4Very high3 Ų314.4 Ų14.42%0.0168%0.079CC..EExtended strand (participates in β ladder)trans-119.5138.8171.299.7-70.6000109.1E611 Y612 P646 S647 Y655E611-N627 WeakPolarHBondContact O-CA 3.18Å; Y612-N627 HydrophobicContact CD1-CB 4.02Å; Y612-N627 HydrophobicContact CE1-CB 3.64Å; Y612-N627 HydrophobicContact CE2-CB 4.26Å; Y612-N627 HydrophobicContact CG-CB 4.48Å; N627-P646 WeakPolarHBondContact O-CA 3.32Å; N627-P646 WeakPolarHBondContact OD1-CA 3.25Å; N627-P646 WeakPolarHBondContact OD1-CB 3.35Å; N627-S647 WeakPolarHBondContact ND2-CB 3.11Å; N627-S647 PolarHBondContact ND2-N 2.87Å; N627-S647 PolarHBondContact ND2-OG 2.88Å; N627-S647 PolarHBondContact OD1-N 3.09Å; N627-Y655 HydrophobicContact CB-CE2 3.94Å; N627-Y655 VanDerWaalsContact CG-CE2 3.41Å
628M96.1Very high93.1Very high0 Ų014.6 Ų14.60%08%0.08CC..EExtended strand (participates in β ladder)trans-134.2145.9-171.4-73.7170.6-85.900110.2V610 E611 C626 V643 V644 A645 L703 A704V610-M628 WeakPolarHBondContact CA-O 3.26Å; V610-M628 WeakPolarHBondContact CG1-O 3.46Å; E611-M628 HydrophobicContact CB-CB 4.18Å; E611-M628 HydrophobicContact CB-CE 4.45Å; E611-M628 HydrophobicContact CG-CB 4.43Å; E611-M628 PolarHBondContact N-O 3.05Å; E611-M628 PolarHBondContact O-N 2.82Å; C626-M628 HydrophobicContact CB-CE 4.39Å; M628-V643 HydrophobicContact CB-CG1 3.72Å; M628-V643 HydrophobicContact CG-CG1 4.04Å; M628-V643 HydrophobicContact SD-CG1 4.19Å; M628-V644 WeakPolarHBondContact CA-O 3Å; M628-A645 HydrophobicContact CG-CB 4.02Å; M628-L703 HydrophobicContact SD-CD2 3.96Å; M628-A704 HydrophobicContact CE-CB 4.09Å
629E97.4Very high93.1Very high3 Ų313.2 Ų13.21%0.0147%0.07CC..EExtended strand (participates in β ladder)trans-125.5130.6173.7-177.6177.6178.400109.9V644 Q648 T649 F851E629-V644 PolarHBondContact N-O 2.93Å; E629-V644 PolarHBondContact O-N 3.01Å; E629-Q648 PolarHBondContact OE2-N 2.92Å; E629-T649 VanDerWaalsContact CD-OG1 3.29Å; E629-T649 WeakPolarHBondContact OE1-CB 3.36Å; E629-T649 WeakPolarHBondContact OE1-CG2 3.36Å; E629-T649 PolarHBondContact OE1-OG1 2.9Å; E629-T649 PolarHBondContact OE2-N 3.48Å; E629-T649 PolarHBondContact OE2-OG1 2.92Å; E629-F851 HydrophobicContact CG-CE2 4.43Å; E629-F851 HydrophobicContact CG-CZ 4.33Å
630N97.3Very high93.3Very high6 Ų69.1 Ų9.13%0.0325%0.054CC..EExtended strand (participates in β ladder)trans-76.1129.8174.3-70.96.3000109.6E609 D632 T638 S641 V643E609-N630 HydrophobicContact CB-CB 4.03Å; E609-N630 WeakPolarHBondContact CG-ND2 3Å; E609-N630 PolarHBondContact O-N 3.31Å; E609-N630 PolarHBondContact OE2-ND2 2.89Å; N630-D632 VanDerWaalsContact C-N 3.32Å; N630-D632 VanDerWaalsContact CB-O 3.31Å; N630-D632 WeakPolarHBondContact CB-O 3.49Å; N630-T638 PolarHBondContact ND2-OG1 3.07Å; N630-T638 VanDerWaalsContact ND2-OG1 3.1Å; N630-S641 WeakPolarHBondContact CB-OG 3.38Å; N630-V643 WeakPolarHBondContact OD1-CG2 3.38Å
631F96.7Very high93.5Very high3 Ų37.6 Ų7.61%0.0135%0.045CC..SBendtrans-62.4-43.2170.7166.6-88.8000110.7I642 F783 I828 I847 F851 L855F631-I642 HydrophobicContact CB-CB 3.76Å; F631-I642 HydrophobicContact CB-CG2 3.86Å; F631-I642 WeakPolarHBondContact CB-O 3.17Å; F631-I642 HydrophobicContact CD1-CB 4.21Å; F631-I642 HydrophobicContact CD1-CD1 4.34Å; F631-I642 HydrophobicContact CG-CB 4.16Å; F631-I642 HydrophobicContact CG-CG2 4.3Å; F631-I642 PolarHBondContact N-O 3.25Å; F631-F783 HydrophobicContact CD2-CZ 4.49Å; F631-I828 HydrophobicContact CE1-CD1 4.37Å; F631-I828 HydrophobicContact CZ-CD1 4.12Å; F631-I847 HydrophobicContact CD1-CD1 4.39Å; F631-I847 HydrophobicContact CD2-CG2 4.42Å; F631-I847 HydrophobicContact CE1-CD1 3.52Å; F631-I847 HydrophobicContact CE1-CG1 4.2Å; F631-I847 HydrophobicContact CE1-CG2 4.4Å; F631-I847 HydrophobicContact CE2-CG2 4.04Å; F631-I847 HydrophobicContact CZ-CD1 3.75Å; F631-I847 HydrophobicContact CZ-CG1 4.49Å; F631-I847 HydrophobicContact CZ-CG2 4.01Å; F631-F851 HydrophobicContact CD2-CB 3.75Å; F631-F851 AromaticContact CD2-CD1 3.9Å; F631-F851 HydrophobicContact CD2-CD1 3.9Å; F631-F851 HydrophobicContact CD2-CD2 4.23Å; F631-F851 AromaticContact CD2-CG 3.71Å; F631-F851 HydrophobicContact CD2-CG 3.71Å; F631-F851 HydrophobicContact CE2-CB 3.72Å; F631-F851 HydrophobicContact CE2-CG 4.22Å; F631-L855 HydrophobicContact CE2-CD1 3.75Å; F631-L855 HydrophobicContact CZ-CD1 3.79Å
632D96Very high93.8Very high6 Ų67.6 Ų7.63%0.0325%0.045CC..SBendtrans-79.7136.8173.6-59.8-74000110.1N630 I636 S641 I642 R824N630-D632 VanDerWaalsContact C-N 3.32Å; N630-D632 VanDerWaalsContact CB-O 3.31Å; N630-D632 WeakPolarHBondContact CB-O 3.49Å; D632-I636 HydrophobicContact CB-CB 4.3Å; D632-I636 HydrophobicContact CB-CD1 3.59Å; D632-S641 WeakPolarHBondContact CB-OG 3.44Å; D632-S641 PolarHBondContact N-OG 3.2Å; D632-S641 PolarHBondContact OD2-OG 2.97Å; D632-I642 PolarHBondContact OD2-N 3.46Å; D632-R824 WeakPolarHBondContact OD1-CD 3.36Å; D632-R824 IonicContact OD1-CZ 3.87Å; D632-R824 IonicContact OD1-NE 3.32Å; D632-R824 IonicContact OD1-NH1 3.48Å; D632-R824 PolarHBondContact OD1-NH1 3.36Å
633P93.7Very high93.9Very high15 Ų157.4 Ų7.410%0.0974%0.044CC..PPolyproline II helixtrans-70.4161.5175.431.9-36.5000111.1G635 T845 N846P633-G635 PolarHBondContact O-N 3.45Å; P633-T845 VanDerWaalsContact CG-O 3.3Å; P633-T845 WeakPolarHBondContact CG-O 3.41Å; P633-N846 HydrophobicContact CB-CB 4.12Å; P633-N846 HydrophobicContact CG-CB 3.74Å
634L92Very high94Very high25 Ų257.3 Ų7.313%0.1314%0.044CC..THydrogen-bonded Turntrans-51.5133.4179.6-174.463.1000111.1L604 K605 G606 W607 E609 A680 I691L604-L634 HydrophobicContact CB-CD2 3.52Å; K605-L634 CarbonylContact C-O 3.56Å; K605-L634 VanDerWaalsContact CA-O 3.26Å; K605-L634 WeakPolarHBondContact CA-O 3.39Å; G606-L634 PolarHBondContact N-O 3.41Å; W607-L634 HydrophobicContact CB-CB 4.38Å; W607-L634 WeakPolarHBondContact O-CB 3.47Å; W607-L634 PolarHBondContact O-N 3.04Å; E609-L634 HydrophobicContact CB-CB 4.42Å; E609-L634 HydrophobicContact CB-CD1 4.49Å; E609-L634 HydrophobicContact CG-CD1 4.27Å; E609-L634 WeakPolarHBondContact OE1-CD1 3.41Å; L634-A680 HydrophobicContact CD2-CB 3.56Å; L634-I691 HydrophobicContact CD1-CD1 3.74Å; L634-I691 HydrophobicContact CD2-CD1 4.16Å
635G88.5Confident94.1Very high12 Ų127.3 Ų7.312%0.1244%0.044CC..THydrogen-bonded Turntrans131.7-21.7-169.300000112.7F577 P633 G767 S768F577-G635 WeakPolarHBondContact CE2-O 3.3Å; P633-G635 PolarHBondContact O-N 3.45Å; G635-G767 CarbonylContact O-C 3.54Å; G635-G767 WeakPolarHBondContact O-CA 3Å; G635-S768 PolarHBondContact O-N 3.35Å
636I91.7Very high94.1Very high7 Ų77.2 Ų7.24%0.0364%0.043CC..SBendtrans-110.6131.8168.7-66.5157.9000106.7D632 E640 I766 P820 R824D632-I636 HydrophobicContact CB-CB 4.3Å; D632-I636 HydrophobicContact CB-CD1 3.59Å; I636-E640 HydrophobicContact CG2-CB 3.58Å; I636-I766 HydrophobicContact CD1-CD1 4.21Å; I636-I766 HydrophobicContact CD1-CG1 4.4Å; I636-I766 HydrophobicContact CG1-CG1 4.38Å; I636-I766 HydrophobicContact CG2-CD1 4.28Å; I636-P820 HydrophobicContact CD1-CB 3.84Å; I636-P820 HydrophobicContact CD1-CG 3.74Å; I636-P820 HydrophobicContact CG1-CG 4.05Å; I636-R824 VanDerWaalsContact CD1-NH1 3.33Å
637H90.2Very high94.2Very high44 Ų447.1 Ų7.120%0.2044%0.042CC..  trans-60.4140.6178.2-173.9-70.8000110.1G639 E640 S641 G767 S768 M770H637-G639 PolarHBondContact ND1-N 2.78Å; H637-G639 PolarHBondContact O-N 3.13Å; H637-G639 VanDerWaalsContact O-N 3.14Å; H637-E640 HydrophobicContact CB-CB 4.45Å; H637-E640 HydrophobicContact CB-CG 4.1Å; H637-E640 CarbonylContact O-C 3.52Å; H637-E640 VanDerWaalsContact O-CA 3.3Å; H637-E640 WeakPolarHBondContact O-CA 3.49Å; H637-E640 VanDerWaalsContact O-CB 3.31Å; H637-E640 WeakPolarHBondContact O-CB 3.28Å; H637-E640 PolarHBondContact O-N 2.88Å; H637-S641 PolarHBondContact O-N 3.38Å; H637-G767 PolarHBondContact N-O 3.2Å; H637-S768 PolarHBondContact CD2-O 2.89Å; H637-M770 HydrophobicContact CB-CG 4.39Å; H637-M770 WeakPolarHBondContact CE1-CG 3.38Å; H637-M770 PolarHBondContact CE1-SD 3.12Å; H637-M770 VanDerWaalsContact ND1-CG 3.28Å; H637-M770 WeakPolarHBondContact ND1-CG 3.41Å
638T88.5Confident94.2Very high3 Ų37 Ų72%0.0184%0.042CC..G310 helixtrans-51.4-42.9179-57.70000113.3E609 E611 N630 E640 S641 V643 K750E609-T638 PolarHBondContact OE1-OG1 2.96Å; E611-T638 VanDerWaalsContact CD-CG2 3.43Å; E611-T638 WeakPolarHBondContact OE1-CB 3.5Å; E611-T638 WeakPolarHBondContact OE1-CG2 3.3Å; E611-T638 PolarHBondContact OE1-OG1 3.47Å; N630-T638 PolarHBondContact ND2-OG1 3.07Å; N630-T638 VanDerWaalsContact ND2-OG1 3.1Å; T638-E640 PolarHBondContact O-N 3.23Å; T638-E640 VanDerWaalsContact O-N 3.08Å; T638-S641 PolarHBondContact O-N 3.36Å; T638-V643 HydrophobicContact CG2-CG2 3.82Å; T638-K750 PolarHBondContact O-NZ 3.44Å
639G88.9Confident94.1Very high8 Ų87 Ų78%0.0824%0.042CC..G310 helixtrans-57.1-16.9172.600000116.1H637 P752 S772H637-G639 PolarHBondContact ND1-N 2.78Å; H637-G639 PolarHBondContact O-N 3.13Å; H637-G639 VanDerWaalsContact O-N 3.14Å; G639-P752 WeakPolarHBondContact O-CG 3.14Å; G639-S772 PolarHBondContact O-OG 3.28Å
640E91.1Very high94Very high0 Ų06.9 Ų6.90%04%0.042CC..G310 helixtrans-105.4-9.8172.3-58.8-67111.200112.8I636 H637 T638 W754 M770 K771 S772I636-E640 HydrophobicContact CG2-CB 3.58Å; H637-E640 HydrophobicContact CB-CB 4.45Å; H637-E640 HydrophobicContact CB-CG 4.1Å; H637-E640 CarbonylContact O-C 3.52Å; H637-E640 VanDerWaalsContact O-CA 3.3Å; H637-E640 WeakPolarHBondContact O-CA 3.49Å; H637-E640 VanDerWaalsContact O-CB 3.31Å; H637-E640 WeakPolarHBondContact O-CB 3.28Å; H637-E640 PolarHBondContact O-N 2.88Å; T638-E640 PolarHBondContact O-N 3.23Å; T638-E640 VanDerWaalsContact O-N 3.08Å; E640-W754 HydrophobicContact CB-CZ2 4.45Å; E640-W754 WeakPolarHBondContact O-CZ2 3.3Å; E640-W754 PolarHBondContact OE2-NE1 3.01Å; E640-M770 WeakPolarHBondContact OE1-CA 3.42Å; E640-K771 PolarHBondContact OE1-N 2.61Å; E640-K771 PolarHBondContact OE2-N 3.1Å; E640-S772 VanDerWaalsContact OE1-CB 3.25Å; E640-S772 WeakPolarHBondContact OE1-CB 3.42Å; E640-S772 PolarHBondContact OE1-N 3.17Å; E640-S772 PolarHBondContact OE1-OG 2.83Å; E640-S772 VanDerWaalsContact OE1-OG 3.13Å
641S95Very high93.8Very high0 Ų07.2 Ų7.20%04%0.044CC..SBendtrans-90.2150.7-178.5-171.40000111.4N630 D632 H637 T638 K750 P752N630-S641 WeakPolarHBondContact CB-OG 3.38Å; D632-S641 WeakPolarHBondContact CB-OG 3.44Å; D632-S641 PolarHBondContact N-OG 3.2Å; D632-S641 PolarHBondContact OD2-OG 2.97Å; H637-S641 PolarHBondContact O-N 3.38Å; T638-S641 PolarHBondContact O-N 3.36Å; S641-K750 PolarHBondContact O-NZ 3.31Å; S641-P752 WeakPolarHBondContact O-CD 3.46Å; S641-P752 WeakPolarHBondContact O-CG 3.11Å
642I97.3Very high93.6Very high4 Ų47.2 Ų7.22%0.0214%0.044CC..  trans-70.7129.3161.7-61.2-179.5000107.6F631 D632 V749 K750 I751 F787 P825F631-I642 HydrophobicContact CB-CB 3.76Å; F631-I642 HydrophobicContact CB-CG2 3.86Å; F631-I642 WeakPolarHBondContact CB-O 3.17Å; F631-I642 HydrophobicContact CD1-CB 4.21Å; F631-I642 HydrophobicContact CD1-CD1 4.34Å; F631-I642 HydrophobicContact CG-CB 4.16Å; F631-I642 HydrophobicContact CG-CG2 4.3Å; F631-I642 PolarHBondContact N-O 3.25Å; D632-I642 PolarHBondContact OD2-N 3.46Å; I642-V749 HydrophobicContact CG2-CG1 3.91Å; I642-K750 VanDerWaalsContact CA-O 3.3Å; I642-K750 WeakPolarHBondContact CA-O 3.4Å; I642-K750 WeakPolarHBondContact CG2-O 3.33Å; I642-I751 HydrophobicContact CD1-CD1 4.08Å; I642-I751 HydrophobicContact CD1-CG1 4.11Å; I642-I751 HydrophobicContact CD1-CG2 4.37Å; I642-I751 HydrophobicContact CG1-CB 4.44Å; I642-I751 HydrophobicContact CG1-CD1 4.48Å; I642-I751 HydrophobicContact CG1-CG1 3.97Å; I642-I751 HydrophobicContact CG1-CG2 4.11Å; I642-I751 HydrophobicContact CG2-CG1 4.09Å; I642-F787 HydrophobicContact CD1-CE2 3.84Å; I642-F787 HydrophobicContact CD1-CZ 4.38Å; I642-F787 HydrophobicContact CG2-CE2 4.35Å; I642-P825 HydrophobicContact CD1-CG 3.81Å
643V97.3Very high93.4Very high2 Ų211.8 Ų11.81%0.0126%0.061CC..EExtended strand (participates in β ladder)trans-120.6139.4-175.5-175.30000109.7M628 N630 T638 L703 V749 K750M628-V643 HydrophobicContact CB-CG1 3.72Å; M628-V643 HydrophobicContact CG-CG1 4.04Å; M628-V643 HydrophobicContact SD-CG1 4.19Å; N630-V643 WeakPolarHBondContact OD1-CG2 3.38Å; T638-V643 HydrophobicContact CG2-CG2 3.82Å; V643-L703 HydrophobicContact CG1-CD2 4.42Å; V643-V749 WeakPolarHBondContact O-CA 3.44Å; V643-K750 HydrophobicContact CB-CB 4.27Å; V643-K750 HydrophobicContact CG2-CD 4.5Å; V643-K750 PolarHBondContact N-O 3.37Å; V643-K750 PolarHBondContact O-N 2.8Å
644V97.9Very high93.5Very high0 Ų011.2 Ų11.20%06%0.057CC..EExtended strand (participates in β ladder)trans-120.9134.1-178.9-169.80000110.2M628 E629 P646 Q648 V748 V749 F783 F851M628-V644 WeakPolarHBondContact CA-O 3Å; E629-V644 PolarHBondContact N-O 2.93Å; E629-V644 PolarHBondContact O-N 3.01Å; V644-P646 CarbonylContact C-O 3.55Å; V644-Q648 HydrophobicContact CB-CG 4.35Å; V644-Q648 HydrophobicContact CG1-CG 3.6Å; V644-V748 WeakPolarHBondContact CA-O 3.49Å; V644-V749 HydrophobicContact CG1-CG2 4.49Å; V644-V749 HydrophobicContact CG2-CG2 4.39Å; V644-F783 HydrophobicContact CG1-CD2 4.37Å; V644-F783 HydrophobicContact CG2-CD2 4.39Å; V644-F783 HydrophobicContact CG2-CE2 3.85Å; V644-F851 HydrophobicContact CB-CE1 4.46Å; V644-F851 HydrophobicContact CG2-CE1 3.83Å; V644-F851 HydrophobicContact CG2-CZ 4.26Å
645A96.4Very high93.6Very high2 Ų210.9 Ų10.92%0.0175%0.054CC..EExtended strand (participates in β ladder)trans-126132174.400000110.6M628 L744 V748M628-A645 HydrophobicContact CG-CB 4.02Å; A645-L744 HydrophobicContact CB-CD1 4.37Å; A645-V748 HydrophobicContact CB-CB 4.29Å; A645-V748 PolarHBondContact N-O 3.44Å; A645-V748 PolarHBondContact O-N 3.49Å
646P95.1Very high93.9Very high2 Ų210.8 Ų10.81%0.0135%0.051CC..SBendcis-68.7-178.3-732.9-35000111.6M44 Y65 N627 V644 Q648M44-P646 HydrophobicContact CB-CG 4.36Å; M44-P646 HydrophobicContact CE-CB 4.19Å; M44-P646 HydrophobicContact CG-CG 4.4Å; M44-P646 HydrophobicContact SD-CB 3.56Å; M44-P646 VanDerWaalsContact SD-CB 3.56Å; M44-P646 HydrophobicContact SD-CG 3.73Å; Y65-P646 HydrophobicContact CD2-CG 4.22Å; Y65-P646 HydrophobicContact CE1-CG 4.45Å; Y65-P646 HydrophobicContact CE2-CG 3.56Å; N627-P646 WeakPolarHBondContact O-CA 3.32Å; N627-P646 WeakPolarHBondContact OD1-CA 3.25Å; N627-P646 WeakPolarHBondContact OD1-CB 3.35Å; V644-P646 CarbonylContact C-O 3.55Å; P646-Q648 PolarHBondContact O-NE2 3.03Å
647S95.5Very high94Very high4 Ų412.2 Ų12.23%0.0286%0.058CC..  trans-58.5143.1168.462.40000111.5N627N627-S647 WeakPolarHBondContact ND2-CB 3.11Å; N627-S647 PolarHBondContact ND2-N 2.87Å; N627-S647 PolarHBondContact ND2-OG 2.88Å; N627-S647 PolarHBondContact OD1-N 3.09Å
648Q94.8Very high94.4Very high0 Ų010.1 Ų10.10%05%0.048CC..SBendtrans-106.5-13.5-175.2-57.2-58.1-51.400114Y65 N70 E629 V644 P646 W850 F851Y65-Q648 PolarHBondContact OH-NE2 2.9Å; Y65-Q648 PolarHBondContact OH-OE1 3.38Å; N70-Q648 VanDerWaalsContact CB-O 3.3Å; N70-Q648 WeakPolarHBondContact CB-O 3.35Å; N70-Q648 PolarHBondContact ND2-O 2.98Å; E629-Q648 PolarHBondContact OE2-N 2.92Å; V644-Q648 HydrophobicContact CB-CG 4.35Å; V644-Q648 HydrophobicContact CG1-CG 3.6Å; P646-Q648 PolarHBondContact O-NE2 3.03Å; Q648-W850 HydrophobicContact CB-CD2 4.24Å; Q648-W850 HydrophobicContact CB-CE3 3.73Å; Q648-W850 HydrophobicContact CB-CH2 3.58Å; Q648-W850 HydrophobicContact CB-CZ2 4.08Å; Q648-W850 HydrophobicContact CB-CZ3 3.4Å; Q648-W850 VanDerWaalsContact CB-CZ3 3.4Å; Q648-W850 HydrophobicContact CG-CE3 4.38Å; Q648-W850 HydrophobicContact CG-CH2 3.57Å; Q648-W850 HydrophobicContact CG-CZ2 4.42Å; Q648-W850 HydrophobicContact CG-CZ3 3.56Å; Q648-F851 HydrophobicContact CB-CE1 4.32Å; Q648-F851 HydrophobicContact CB-CZ 4.32Å; Q648-F851 HydrophobicContact CG-CE1 4.24Å
649T95Very high94.7Very high2 Ų210 Ų101%0.0125%0.047CC..SBendtrans-1250.8-173.477.10000114.7K608 E629 D848 W850 F851K608-T649 PolarHBondContact NZ-OG1 2.97Å; E629-T649 VanDerWaalsContact CD-OG1 3.29Å; E629-T649 WeakPolarHBondContact OE1-CB 3.36Å; E629-T649 WeakPolarHBondContact OE1-CG2 3.36Å; E629-T649 PolarHBondContact OE1-OG1 2.9Å; E629-T649 PolarHBondContact OE2-N 3.48Å; E629-T649 PolarHBondContact OE2-OG1 2.92Å; T649-D848 HydrophobicContact CG2-CB 4.31Å; T649-W850 HydrophobicContact CG2-CB 3.92Å; T649-W850 HydrophobicContact CG2-CD2 4.48Å; T649-W850 HydrophobicContact CG2-CE3 4.45Å; T649-W850 HydrophobicContact CG2-CG 4.29Å; T649-F851 HydrophobicContact CG2-CE2 4.33Å
650L95Very high95Very high0 Ų011.2 Ų11.20%06%0.055CC..  trans-82.4133.6179.2-55.9-174000111.5Y71 V610 E654 L658 L681Y71-L650 WeakPolarHBondContact CD1-O 3.46Å; V610-L650 HydrophobicContact CG1-CD1 3.79Å; V610-L650 HydrophobicContact CG2-CD1 4.09Å; V610-L650 HydrophobicContact CG2-CD2 4.17Å; L650-E654 HydrophobicContact CB-CB 4.37Å; L650-E654 HydrophobicContact CD2-CB 4.49Å; L650-L658 HydrophobicContact CD1-CD1 4.38Å; L650-L681 HydrophobicContact CD2-CD2 3.51Å
651S93.4Very high95.2Very high13 Ų1311.6 Ų11.69%0.0916%0.057CC..  trans-70.2160.9164.761.30000111.2R653 E654 Y655S651-R653 PolarHBondContact O-N 2.98Å; S651-E654 PolarHBondContact N-OE2 3.2Å; S651-E654 PolarHBondContact O-N 3.04Å; S651-E654 VanDerWaalsContact O-N 3.14Å; S651-E654 WeakPolarHBondContact OG-CG 3.33Å; S651-E654 PolarHBondContact OG-N 3.33Å; S651-E654 PolarHBondContact OG-OE2 3.24Å; S651-Y655 WeakPolarHBondContact O-CB 3.49Å; S651-Y655 PolarHBondContact O-N 2.93Å
652D92.7Very high95.3Very high2 Ų211.6 Ų11.61%0.0116%0.057CC..Hα-helixtrans-57-40.8176.8-17595.2000111.8V45 A358 G359 E654 Y655 Q656V45-D652 HydrophobicContact CB-CB 4.23Å; V45-D652 HydrophobicContact CG2-CB 4.17Å; V45-D652 WeakPolarHBondContact CG2-OD1 3.32Å; A358-D652 VanDerWaalsContact CA-OD2 3.31Å; A358-D652 WeakPolarHBondContact CA-OD2 3.38Å; G359-D652 PolarHBondContact N-OD2 3.45Å; D652-E654 PolarHBondContact O-N 3.02Å; D652-Y655 WeakPolarHBondContact O-CB 3.35Å; D652-Y655 PolarHBondContact O-N 2.98Å; D652-Q656 WeakPolarHBondContact O-CB 3.22Å; D652-Q656 WeakPolarHBondContact O-CG 3.39Å; D652-Q656 PolarHBondContact O-N 3.37Å; D652-Q656 WeakPolarHBondContact OD2-CG 3.18Å
653R92.1Very high95.2Very high103 Ų10311.4 Ų11.439%0.3896%0.056SC..Hα-helixtrans-56.9-46.3176.1-176.861.2174.4-142.22.4112.6S651 M657 E686S651-R653 PolarHBondContact O-N 2.98Å; R653-M657 WeakPolarHBondContact O-CB 3.42Å; R653-M657 PolarHBondContact O-N 3.15Å; R653-E686 WeakPolarHBondContact CG-OE1 3.3Å; R653-E686 IonicContact NE-OE1 3.29Å
654E95.1Very high95.1Very high3 Ų315.3 Ų15.31%0.0147%0.073CC..Hα-helixtrans-68.1-43.5177.4-70.8163.9144.700111.1H110 L650 S651 D652 Q656 M657 L658 L681H110-E654 IonicContact CD2-OE2 2.71Å; H110-E654 IonicContact NE2-OE1 2.66Å; H110-E654 PolarHBondContact NE2-OE1 3.3Å; H110-E654 IonicContact NE2-OE2 2.85Å; H110-E654 PolarHBondContact NE2-OE2 2.91Å; H110-E654 VanDerWaalsContact NE2-OE2 3.09Å; L650-E654 HydrophobicContact CB-CB 4.37Å; L650-E654 HydrophobicContact CD2-CB 4.49Å; S651-E654 PolarHBondContact N-OE2 3.2Å; S651-E654 PolarHBondContact O-N 3.04Å; S651-E654 VanDerWaalsContact O-N 3.14Å; S651-E654 WeakPolarHBondContact OG-CG 3.33Å; S651-E654 PolarHBondContact OG-N 3.33Å; S651-E654 PolarHBondContact OG-OE2 3.24Å; D652-E654 PolarHBondContact O-N 3.02Å; E654-Q656 PolarHBondContact O-N 2.98Å; E654-M657 PolarHBondContact O-N 3.06Å; E654-L658 WeakPolarHBondContact O-CG 3.41Å; E654-L658 PolarHBondContact O-N 3.05Å; E654-L681 HydrophobicContact CB-CD2 4.29Å; E654-L681 HydrophobicContact CG-CD2 4.26Å
655Y94.9Very high95Very high17 Ų1715.3 Ų15.37%0.0677%0.073CC..Hα-helixtrans-56.6-51.8176.4-178.9-76000111.4V45 Y612 N627 S651 D652 L658 R659V45-Y655 HydrophobicContact CG1-CD2 4.33Å; V45-Y655 HydrophobicContact CG2-CD1 4.09Å; V45-Y655 HydrophobicContact CG2-CD2 4.08Å; V45-Y655 HydrophobicContact CG2-CG 3.81Å; Y612-Y655 HydrophobicContact CE1-CE2 4.48Å; Y612-Y655 WeakPolarHBondContact OH-CA 3.4Å; Y612-Y655 VanDerWaalsContact OH-CD2 3.23Å; Y612-Y655 WeakPolarHBondContact OH-CD2 3.32Å; Y612-Y655 VanDerWaalsContact OH-CG 3.31Å; Y612-Y655 PolarHBondContact OH-O 3.21Å; N627-Y655 HydrophobicContact CB-CE2 3.94Å; N627-Y655 VanDerWaalsContact CG-CE2 3.41Å; S651-Y655 WeakPolarHBondContact O-CB 3.49Å; S651-Y655 PolarHBondContact O-N 2.93Å; D652-Y655 WeakPolarHBondContact O-CB 3.35Å; D652-Y655 PolarHBondContact O-N 2.98Å; Y655-L658 PolarHBondContact O-N 2.99Å; Y655-R659 VanDerWaalsContact O-CB 3.27Å; Y655-R659 WeakPolarHBondContact O-CB 3.39Å; Y655-R659 PolarHBondContact O-N 2.89Å
656Q93.9Very high94.9Very high10 Ų1015.2 Ų15.25%0.0477%0.072CC..Hα-helixtrans-72.5-31.7-177.2-63-59.4-23.400112.4G359 D652 E654 S660G359-Q656 VanDerWaalsContact O-CD 3.22Å; G359-Q656 VanDerWaalsContact O-CG 3.31Å; G359-Q656 WeakPolarHBondContact O-CG 3.41Å; G359-Q656 PolarHBondContact O-OE1 3.08Å; D652-Q656 WeakPolarHBondContact O-CB 3.22Å; D652-Q656 WeakPolarHBondContact O-CG 3.39Å; D652-Q656 PolarHBondContact O-N 3.37Å; D652-Q656 WeakPolarHBondContact OD2-CG 3.18Å; E654-Q656 PolarHBondContact O-N 2.98Å; Q656-S660 VanDerWaalsContact O-CB 3.26Å; Q656-S660 WeakPolarHBondContact O-CB 3.32Å; Q656-S660 PolarHBondContact O-N 2.98Å; Q656-S660 PolarHBondContact O-OG 2.82Å
657M95.1Very high94.8Very high38 Ų3819 Ų1919%0.1879%0.086CC..Hα-helixtrans-61-50.4172.1177.6-172.972.300111.2R653 E654 S660 T661 L681 E686 Y688R653-M657 WeakPolarHBondContact O-CB 3.42Å; R653-M657 PolarHBondContact O-N 3.15Å; E654-M657 PolarHBondContact O-N 3.06Å; M657-S660 PolarHBondContact O-N 3.43Å; M657-T661 WeakPolarHBondContact O-CB 3.33Å; M657-T661 PolarHBondContact O-N 3.4Å; M657-T661 PolarHBondContact O-OG1 3.32Å; M657-L681 HydrophobicContact CE-CD1 4.01Å; M657-E686 HydrophobicContact CE-CB 4.43Å; M657-E686 WeakPolarHBondContact CE-O 3.45Å; M657-E686 HydrophobicContact SD-CB 4.13Å; M657-Y688 HydrophobicContact CE-CD1 3.5Å; M657-Y688 HydrophobicContact CE-CE1 3.97Å; M657-Y688 HydrophobicContact CE-CG 4.42Å; M657-Y688 HydrophobicContact CG-CD1 4.49Å; M657-Y688 HydrophobicContact CG-CE1 3.99Å; M657-Y688 HydrophobicContact SD-CD1 3.89Å; M657-Y688 HydrophobicContact SD-CE1 3.8Å
658L96.8Very high94.8Very high0 Ų021.2 Ų21.20%010%0.096CC..Hα-helixtrans-69.3-39.1179.2-64.5-179.2000111.9V610 Y612 L650 E654 Y655 T661 A662 Y679 L681 Y688V610-L658 HydrophobicContact CB-CD1 4.12Å; V610-L658 HydrophobicContact CG1-CD1 3.86Å; V610-L658 HydrophobicContact CG2-CD1 4.36Å; Y612-L658 HydrophobicContact CD2-CB 4.32Å; Y612-L658 HydrophobicContact CE2-CB 3.67Å; Y612-L658 HydrophobicContact CE2-CD1 4.38Å; L650-L658 HydrophobicContact CD1-CD1 4.38Å; E654-L658 WeakPolarHBondContact O-CG 3.41Å; E654-L658 PolarHBondContact O-N 3.05Å; Y655-L658 PolarHBondContact O-N 2.99Å; L658-T661 PolarHBondContact O-N 3.06Å; L658-A662 WeakPolarHBondContact O-CB 3.41Å; L658-A662 PolarHBondContact O-N 2.65Å; L658-Y679 HydrophobicContact CB-CD2 4.33Å; L658-Y679 HydrophobicContact CB-CE2 4.18Å; L658-Y679 HydrophobicContact CD1-CD2 4.37Å; L658-Y679 HydrophobicContact CD1-CG 4.49Å; L658-Y679 HydrophobicContact CD2-CD1 3.78Å; L658-Y679 HydrophobicContact CD2-CD2 4.16Å; L658-Y679 HydrophobicContact CD2-CE1 4.15Å; L658-Y679 HydrophobicContact CD2-CE2 4.5Å; L658-Y679 HydrophobicContact CD2-CG 3.77Å; L658-Y679 PolarHBondContact O-OH 3.34Å; L658-L681 HydrophobicContact CD1-CD2 4.4Å; L658-Y688 HydrophobicContact CD2-CD1 4.15Å; L658-Y688 HydrophobicContact CD2-CD2 4.14Å; L658-Y688 HydrophobicContact CD2-CG 3.86Å
659R95.6Very high94.7Very high0 Ų021.4 Ų21.40%010%0.097CC..Hα-helixtrans-56.9-50.4171.9-176.3-169.1165.1-86.6-5.2111.5P360 D362 Y612 T624 Y655 T661 A662 L663 E741P360-R659 VanDerWaalsContact CB-NH1 3.33Å; D362-R659 IonicContact OD1-CZ 3.59Å; D362-R659 IonicContact OD1-NH1 3.15Å; D362-R659 PolarHBondContact OD1-NH1 3.34Å; D362-R659 IonicContact OD1-NH2 3.19Å; D362-R659 IonicContact OD2-CZ 3.86Å; D362-R659 IonicContact OD2-NH1 3.96Å; D362-R659 IonicContact OD2-NH2 3.58Å; D362-R659 PolarHBondContact OD2-NH2 3.07Å; Y612-R659 HydrophobicContact CE1-CB 3.92Å; Y612-R659 HydrophobicContact CE1-CG 4.43Å; T624-R659 HydrophobicContact CG2-CG 3.72Å; Y655-R659 VanDerWaalsContact O-CB 3.27Å; Y655-R659 WeakPolarHBondContact O-CB 3.39Å; Y655-R659 PolarHBondContact O-N 2.89Å; R659-T661 VanDerWaalsContact C-N 3.31Å; R659-T661 PolarHBondContact O-N 2.96Å; R659-A662 VanDerWaalsContact O-CB 3.31Å; R659-A662 WeakPolarHBondContact O-CB 3.01Å; R659-A662 PolarHBondContact O-N 2.86Å; R659-A662 VanDerWaalsContact O-N 3.13Å; R659-L663 WeakPolarHBondContact O-CG 3.32Å; R659-L663 PolarHBondContact O-N 2.83Å; R659-E741 IonicContact CZ-OE1 3.1Å; R659-E741 IonicContact CZ-OE2 3.3Å; R659-E741 IonicContact NE-OE1 2.71Å; R659-E741 PolarHBondContact NE-OE1 3.33Å; R659-E741 IonicContact NE-OE2 3.81Å; R659-E741 PolarHBondContact NE-OE2 2.96Å; R659-E741 IonicContact NH2-OE1 3.69Å; R659-E741 PolarHBondContact NH2-OE1 3.43Å; R659-E741 IonicContact NH2-OE2 2.82Å
660S94.9Very high94.5Very high34 Ų3422.5 Ų22.524%0.23811%0.108CC..Hα-helixtrans-64.5-39.4-177.6-58.90000111.5Q656 M657 A662 L663 K664Q656-S660 VanDerWaalsContact O-CB 3.26Å; Q656-S660 WeakPolarHBondContact O-CB 3.32Å; Q656-S660 PolarHBondContact O-N 2.98Å; Q656-S660 PolarHBondContact O-OG 2.82Å; M657-S660 PolarHBondContact O-N 3.43Å; S660-A662 VanDerWaalsContact C-N 3.35Å; S660-L663 PolarHBondContact O-N 2.73Å; S660-K664 VanDerWaalsContact O-CB 3.31Å; S660-K664 WeakPolarHBondContact O-CB 3.29Å; S660-K664 PolarHBondContact O-N 3.39Å
661T96.6Very high94.5Very high7 Ų722.5 Ų22.54%0.04311%0.108CC..Hα-helixtrans-60.5-44.5172.5-570000111.2E537 M657 L658 R659 L663 K664 V665 Y679 Y688 I690E537-T661 HydrophobicContact CG-CG2 4.34Å; E537-T661 WeakPolarHBondContact OE2-CG2 3.33Å; M657-T661 WeakPolarHBondContact O-CB 3.33Å; M657-T661 PolarHBondContact O-N 3.4Å; M657-T661 PolarHBondContact O-OG1 3.32Å; L658-T661 PolarHBondContact O-N 3.06Å; R659-T661 VanDerWaalsContact C-N 3.31Å; R659-T661 PolarHBondContact O-N 2.96Å; T661-L663 PolarHBondContact O-N 3.35Å; T661-K664 PolarHBondContact O-N 2.99Å; T661-V665 HydrophobicContact CG2-CG2 4.07Å; T661-V665 WeakPolarHBondContact O-CB 3.41Å; T661-V665 WeakPolarHBondContact O-CG2 3.46Å; T661-V665 PolarHBondContact O-N 2.68Å; T661-Y679 HydrophobicContact CG2-CE1 3.83Å; T661-Y688 HydrophobicContact CG2-CE2 3.82Å; T661-Y688 PolarHBondContact OG1-OH 3.02Å; T661-Y688 VanDerWaalsContact OG1-OH 3.06Å; T661-I690 HydrophobicContact CG2-CD1 4.11Å; T661-I690 HydrophobicContact CG2-CG1 4.48Å
662A96.2Very high94.5Very high0 Ų022.9 Ų22.90%011%0.11CC..Hα-helixtrans-57.3-53.6178.500000110.2V614 T624 L658 R659 S660 K664 V665 I666 I677 Y679V614-A662 HydrophobicContact CG2-CB 3.92Å; T624-A662 HydrophobicContact CG2-CB 4.41Å; L658-A662 WeakPolarHBondContact O-CB 3.41Å; L658-A662 PolarHBondContact O-N 2.65Å; R659-A662 VanDerWaalsContact O-CB 3.31Å; R659-A662 WeakPolarHBondContact O-CB 3.01Å; R659-A662 PolarHBondContact O-N 2.86Å; R659-A662 VanDerWaalsContact O-N 3.13Å; S660-A662 VanDerWaalsContact C-N 3.35Å; A662-K664 VanDerWaalsContact C-N 3.3Å; A662-K664 PolarHBondContact O-N 2.81Å; A662-V665 PolarHBondContact O-N 2.54Å; A662-I666 WeakPolarHBondContact O-CB 3.46Å; A662-I666 VanDerWaalsContact O-CG1 3.22Å; A662-I666 WeakPolarHBondContact O-CG1 3.37Å; A662-I666 PolarHBondContact O-N 3.17Å; A662-I677 HydrophobicContact CB-CG2 3.68Å; A662-Y679 WeakPolarHBondContact CA-OH 3.27Å; A662-Y679 VanDerWaalsContact CB-OH 3.26Å; A662-Y679 WeakPolarHBondContact CB-OH 3.36Å; A662-Y679 PolarHBondContact N-OH 2.85Å
663L95.2Very high94.5Very high1 Ų123 Ų231%0.00511%0.111CC..Hα-helixtrans-59.7-40.7179.1-61.1-179.1000112.1V614 C622 T624 R659 S660 T661 R667V614-L663 HydrophobicContact CG1-CD2 4.06Å; C622-L663 HydrophobicContact CB-CD2 4.12Å; C622-L663 VanDerWaalsContact SG-CD2 3.53Å; T624-L663 HydrophobicContact CG2-CD2 3.92Å; T624-L663 HydrophobicContact CG2-CG 4.3Å; R659-L663 WeakPolarHBondContact O-CG 3.32Å; R659-L663 PolarHBondContact O-N 2.83Å; S660-L663 PolarHBondContact O-N 2.73Å; T661-L663 PolarHBondContact O-N 3.35Å; L663-R667 VanDerWaalsContact O-CB 3.27Å; L663-R667 WeakPolarHBondContact O-CB 3.39Å; L663-R667 VanDerWaalsContact O-CD 3.31Å; L663-R667 WeakPolarHBondContact O-CD 3.22Å; L663-R667 WeakPolarHBondContact O-CG 3.48Å; L663-R667 PolarHBondContact O-N 2.92Å
664K94.8Very high94.6Very high84 Ų8418.2 Ų18.237%0.3659%0.093SC..Hα-helixtrans-63.8-48.3178.9-175.5-176.9168.4-168.60111.9I535 E537 S660 T661 A662 R667 H668I535-K664 HydrophobicContact CD1-CG 4.2Å; I535-K664 WeakPolarHBondContact O-CE 3.47Å; I535-K664 PolarHBondContact O-NZ 3.07Å; E537-K664 HydrophobicContact CG-CD 4.41Å; E537-K664 WeakPolarHBondContact OE1-CD 3.36Å; E537-K664 WeakPolarHBondContact OE1-CE 3.27Å; E537-K664 IonicContact OE1-NZ 3.33Å; E537-K664 PolarHBondContact OE1-NZ 2.81Å; S660-K664 VanDerWaalsContact O-CB 3.31Å; S660-K664 WeakPolarHBondContact O-CB 3.29Å; S660-K664 PolarHBondContact O-N 3.39Å; T661-K664 PolarHBondContact O-N 2.99Å; A662-K664 VanDerWaalsContact C-N 3.3Å; A662-K664 PolarHBondContact O-N 2.81Å; K664-R667 PolarHBondContact O-N 3.26Å; K664-H668 PolarHBondContact O-N 2.95Å; K664-H668 VanDerWaalsContact O-N 3.13Å
665V95.7Very high94.6Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-64.6-48.2-179.61740000111I535 E537 T661 A662 R667 H668 F669 I677 I690 V693I535-V665 HydrophobicContact CD1-CB 4.49Å; I535-V665 HydrophobicContact CD1-CG2 3.96Å; E537-V665 HydrophobicContact CG-CG2 4.11Å; T661-V665 HydrophobicContact CG2-CG2 4.07Å; T661-V665 WeakPolarHBondContact O-CB 3.41Å; T661-V665 WeakPolarHBondContact O-CG2 3.46Å; T661-V665 PolarHBondContact O-N 2.68Å; A662-V665 PolarHBondContact O-N 2.54Å; V665-R667 VanDerWaalsContact C-N 3.32Å; V665-R667 PolarHBondContact O-N 2.6Å; V665-H668 WeakPolarHBondContact O-CB 3.22Å; V665-H668 PolarHBondContact O-N 3.16Å; V665-H668 VanDerWaalsContact O-N 3.08Å; V665-F669 HydrophobicContact CG1-CD2 3.71Å; V665-F669 HydrophobicContact CG1-CE2 3.59Å; V665-F669 WeakPolarHBondContact O-CD2 3.15Å; V665-F669 PolarHBondContact O-N 3.19Å; V665-I677 HydrophobicContact CB-CD1 4.02Å; V665-I677 HydrophobicContact CG1-CD1 3.91Å; V665-I677 HydrophobicContact CG2-CD1 4.27Å; V665-I690 HydrophobicContact CG2-CD1 3.61Å; V665-V693 HydrophobicContact CG1-CG2 3.96Å
666I95.2Very high94.6Very high0 Ų017.2 Ų17.20%09%0.089CC..Hα-helixtrans-65.6-35.5-178.6-63-43.2000112V614 R616 A662 G670 V671 C675 V693V614-I666 HydrophobicContact CB-CG1 4.08Å; V614-I666 HydrophobicContact CG1-CB 4.18Å; V614-I666 HydrophobicContact CG1-CG1 3.99Å; V614-I666 HydrophobicContact CG1-CG2 4.04Å; V614-I666 HydrophobicContact CG2-CG1 4.11Å; R616-I666 HydrophobicContact CB-CG2 4.21Å; A662-I666 WeakPolarHBondContact O-CB 3.46Å; A662-I666 VanDerWaalsContact O-CG1 3.22Å; A662-I666 WeakPolarHBondContact O-CG1 3.37Å; A662-I666 PolarHBondContact O-N 3.17Å; I666-G670 PolarHBondContact O-N 2.85Å; I666-V671 HydrophobicContact CG2-CB 3.81Å; I666-V671 HydrophobicContact CG2-CG1 4.42Å; I666-V671 HydrophobicContact CG2-CG2 4.13Å; I666-V671 PolarHBondContact O-N 2.97Å; I666-C675 HydrophobicContact CD1-CB 4.33Å; I666-C675 WeakPolarHBondContact CD1-SG 3.43Å; I666-C675 WeakPolarHBondContact CG1-SG 3.33Å; I666-C675 VanDerWaalsContact CG2-SG 3.54Å; I666-V693 HydrophobicContact CD1-CG1 3.61Å; I666-V693 HydrophobicContact CD1-CG2 4.37Å
667R93.2Very high94.7Very high82 Ų8216.8 Ų16.831%0.3099%0.087SC..Hα-helixtrans-62.8-40.5171.5-74.2172-178.8141.93.2112N620 C622 L663 K664 V665 G670N620-R667 WeakPolarHBondContact OD1-CG 3.19Å; C622-R667 HydrophobicContact CB-CG 4.48Å; L663-R667 VanDerWaalsContact O-CB 3.27Å; L663-R667 WeakPolarHBondContact O-CB 3.39Å; L663-R667 VanDerWaalsContact O-CD 3.31Å; L663-R667 WeakPolarHBondContact O-CD 3.22Å; L663-R667 WeakPolarHBondContact O-CG 3.48Å; L663-R667 PolarHBondContact O-N 2.92Å; K664-R667 PolarHBondContact O-N 3.26Å; V665-R667 VanDerWaalsContact C-N 3.32Å; V665-R667 PolarHBondContact O-N 2.6Å; R667-G670 PolarHBondContact O-N 3.29Å
668H94.3Very high94.7Very high50 Ų5015.5 Ų15.523%0.2318%0.081CC..Hα-helixtrans-67.7-39.8179.9-173.561.9000113.2R531 E534 I535 K664 V665 G670R531-H668 PolarHBondContact NH1-CE1 2.98Å; R531-H668 PolarHBondContact NH1-NE2 3.03Å; R531-H668 PolarHBondContact NH2-O 3.37Å; R531-H668 PolarHBondContact O-CD2 2.91Å; R531-H668 PolarHBondContact O-NE2 3.5Å; E534-H668 IonicContact OE2-CE1 3.6Å; E534-H668 PolarHBondContact OE2-CE1 2.88Å; E534-H668 IonicContact OE2-NE2 3.86Å; E534-H668 PolarHBondContact OE2-NE2 2.77Å; E534-H668 VanDerWaalsContact OE2-NE2 3.13Å; I535-H668 HydrophobicContact CD1-CB 4.06Å; I535-H668 HydrophobicContact CG2-CB 4.04Å; I535-H668 VanDerWaalsContact CG2-CG 3.5Å; I535-H668 WeakPolarHBondContact CG2-ND1 3.49Å; K664-H668 PolarHBondContact O-N 2.95Å; K664-H668 VanDerWaalsContact O-N 3.13Å; V665-H668 WeakPolarHBondContact O-CB 3.22Å; V665-H668 PolarHBondContact O-N 3.16Å; V665-H668 VanDerWaalsContact O-N 3.08Å; H668-G670 PolarHBondContact O-N 2.91Å
669F93.4Very high94.7Very high4 Ų415.5 Ų15.52%0.0188%0.081CC..Hα-helixtrans-72.4-13.1174.3-76.9-68000113.4S518 E521 T522 F528 R531 V532 V665 V671S518-F669 WeakPolarHBondContact CB-O 3.17Å; S518-F669 PolarHBondContact OG-O 3.11Å; E521-F669 HydrophobicContact CB-CD1 4.07Å; E521-F669 HydrophobicContact CB-CE1 3.93Å; T522-F669 HydrophobicContact CG2-CB 4.47Å; T522-F669 HydrophobicContact CG2-CD1 3.67Å; T522-F669 HydrophobicContact CG2-CD2 4.09Å; T522-F669 HydrophobicContact CG2-CE1 3.83Å; T522-F669 HydrophobicContact CG2-CE2 4.23Å; T522-F669 HydrophobicContact CG2-CG 3.82Å; T522-F669 HydrophobicContact CG2-CZ 4.12Å; F528-F669 HydrophobicContact CD2-CE1 4.37Å; F528-F669 HydrophobicContact CD2-CE2 4.04Å; F528-F669 AromaticContact CD2-CZ 3.5Å; F528-F669 HydrophobicContact CD2-CZ 3.5Å; F528-F669 AromaticContact CE2-CE2 3.88Å; F528-F669 HydrophobicContact CE2-CE2 3.88Å; F528-F669 AromaticContact CE2-CZ 3.84Å; F528-F669 HydrophobicContact CE2-CZ 3.84Å; R531-F669 HydrophobicContact CB-CE1 3.67Å; R531-F669 HydrophobicContact CB-CZ 3.89Å; R531-F669 HydrophobicContact CG-CE1 4.2Å; V532-F669 HydrophobicContact CG2-CE2 4.05Å; V532-F669 HydrophobicContact CG2-CZ 4.04Å; V665-F669 HydrophobicContact CG1-CD2 3.71Å; V665-F669 HydrophobicContact CG1-CE2 3.59Å; V665-F669 WeakPolarHBondContact O-CD2 3.15Å; V665-F669 PolarHBondContact O-N 3.19Å; F669-V671 VanDerWaalsContact C-N 3.32Å; F669-V671 HydrophobicContact CB-CG2 4.04Å; F669-V671 PolarHBondContact O-N 2.93Å
670G91.7Very high94.7Very high25 Ų2515.5 Ų15.526%0.2588%0.081SC..THydrogen-bonded Turntrans67.830.2178.700000113.8P515 I666 R667 H668P515-G670 WeakPolarHBondContact CD-O 3.44Å; I666-G670 PolarHBondContact O-N 2.85Å; R667-G670 PolarHBondContact O-N 3.29Å; H668-G670 PolarHBondContact O-N 2.91Å
671V93.6Very high94.8Very high0 Ų013.9 Ų13.90%07%0.07CC..  trans-60.9138.1178.1178.60000110.4T514 R616 I666 F669 C675 A695T514-V671 HydrophobicContact CG2-CG1 4.42Å; R616-V671 WeakPolarHBondContact CD-O 3.34Å; R616-V671 WeakPolarHBondContact CG-O 3.2Å; R616-V671 PolarHBondContact NH1-O 2.74Å; I666-V671 HydrophobicContact CG2-CB 3.81Å; I666-V671 HydrophobicContact CG2-CG1 4.42Å; I666-V671 HydrophobicContact CG2-CG2 4.13Å; I666-V671 PolarHBondContact O-N 2.97Å; F669-V671 VanDerWaalsContact C-N 3.32Å; F669-V671 HydrophobicContact CB-CG2 4.04Å; F669-V671 PolarHBondContact O-N 2.93Å; V671-C675 HydrophobicContact CG1-CB 4.06Å; V671-A695 HydrophobicContact CG2-CB 4.24Å
672V93.4Very high94.7Very high20 Ų2014.3 Ų14.312%0.1217%0.073CC..  trans-129.8106.8175178.70000108.3G513 T514 R616 A618G513-V672 CarbonylContact C-O 3.23Å; G513-V672 VanDerWaalsContact C-O 3.28Å; G513-V672 WeakPolarHBondContact CA-O 3.38Å; T514-V672 PolarHBondContact N-O 2.81Å; T514-V672 PolarHBondContact OG1-O 2.95Å; R616-V672 CarbonylContact O-C 3.51Å; R616-V672 WeakPolarHBondContact O-CA 3.5Å; A618-V672 HydrophobicContact CB-CG1 4.31Å; A618-V672 HydrophobicContact CB-CG2 4.39Å
673G93.9Very high94.6Very high4 Ų415.8 Ų15.84%0.0418%0.082CC..EExtended strand (participates in β ladder)trans127.6-142.3-16800000110.6V615 R616V615-G673 CarbonylContact C-O 3.49Å; V615-G673 WeakPolarHBondContact CA-O 3.46Å; R616-G673 PolarHBondContact N-O 2.87Å; R616-G673 PolarHBondContact O-N 2.8Å
674E94.2Very high94.5Very high3 Ų322 Ų221%0.01411%0.111CC..EExtended strand (participates in β ladder)trans-107.1153.2176.4168.9-75.8136.400110.5E613 V614 V615 N676 L697 S701 L712 A716E613-E674 VanDerWaalsContact CD-OE1 3.29Å; E613-E674 HydrophobicContact CG-CG 4.25Å; E613-E674 VanDerWaalsContact OE1-CG 3.26Å; E613-E674 WeakPolarHBondContact OE1-CG 2.99Å; V614-E674 CarbonylContact O-C 3.48Å; V614-E674 VanDerWaalsContact O-CA 3.3Å; V614-E674 WeakPolarHBondContact O-CA 3.49Å; V615-E674 HydrophobicContact CG2-CB 4.21Å; E674-N676 PolarHBondContact OE1-N 3.15Å; E674-L697 WeakPolarHBondContact OE2-CA 3.35Å; E674-L697 WeakPolarHBondContact OE2-CD1 3.43Å; E674-L697 VanDerWaalsContact OE2-CD2 3.31Å; E674-L697 WeakPolarHBondContact OE2-CD2 3.42Å; E674-L697 PolarHBondContact OE2-N 3.22Å; E674-S701 PolarHBondContact OE1-OG 3.47Å; E674-S701 VanDerWaalsContact OE1-OG 3.06Å; E674-L712 HydrophobicContact CG-CD2 4.1Å; E674-A716 HydrophobicContact CB-CB 4.11Å
675C94.1Very high94.6Very high0 Ų019.8 Ų19.80%011%0.106CC..EExtended strand (participates in β ladder)trans-153155.3166.756.70000111.8V614 I666 V671 N694V614-C675 PolarHBondContact N-O 3.39Å; V614-C675 PolarHBondContact O-N 2.83Å; I666-C675 HydrophobicContact CD1-CB 4.33Å; I666-C675 WeakPolarHBondContact CD1-SG 3.43Å; I666-C675 WeakPolarHBondContact CG1-SG 3.33Å; I666-C675 VanDerWaalsContact CG2-SG 3.54Å; V671-C675 HydrophobicContact CG1-CB 4.06Å; C675-N694 VanDerWaalsContact CA-O 3.24Å; C675-N694 WeakPolarHBondContact CA-O 3.2Å; C675-N694 VanDerWaalsContact CB-O 3.24Å; C675-N694 WeakPolarHBondContact CB-O 3.45Å
676N94.6Very high94.5Very high0 Ų022.1 Ų22.10%012%0.117CC..EExtended strand (participates in β ladder)trans-105.6134.9174.2176.7-95.9000110.1E613 E674 Q678 V693 N694E613-N676 WeakPolarHBondContact OE2-CB 3.14Å; E613-N676 PolarHBondContact OE2-ND2 3.28Å; E613-N676 VanDerWaalsContact OE2-ND2 3.17Å; E674-N676 PolarHBondContact OE1-N 3.15Å; N676-Q678 WeakPolarHBondContact OD1-CG 3.43Å; N676-Q678 PolarHBondContact OD1-NE2 3.15Å; N676-Q678 VanDerWaalsContact OD1-NE2 3.12Å; N676-V693 CarbonylContact O-C 3.52Å; N676-V693 WeakPolarHBondContact O-CA 3.25Å; N676-N694 HydrophobicContact CB-CB 4.26Å; N676-N694 PolarHBondContact N-O 2.8Å; N676-N694 PolarHBondContact O-N 2.86Å
677I95.5Very high94.5Very high0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-123.7137.4173.1-176.8164.9000110.3E611 Y612 V614 A662 V665 Y679 I690 V693E611-I677 WeakPolarHBondContact CA-O 3.42Å; Y612-I677 PolarHBondContact N-O 3.23Å; Y612-I677 PolarHBondContact O-N 3.1Å; V614-I677 HydrophobicContact CG2-CG2 4.05Å; A662-I677 HydrophobicContact CB-CG2 3.68Å; V665-I677 HydrophobicContact CB-CD1 4.02Å; V665-I677 HydrophobicContact CG1-CD1 3.91Å; V665-I677 HydrophobicContact CG2-CD1 4.27Å; I677-Y679 HydrophobicContact CD1-CE1 4.1Å; I677-Y679 WeakPolarHBondContact CD1-OH 3.42Å; I677-Y679 HydrophobicContact CG1-CE1 4.26Å; I677-Y679 HydrophobicContact CG1-CE2 4.13Å; I677-Y679 HydrophobicContact CG2-CE2 3.92Å; I677-I690 HydrophobicContact CD1-CG2 3.97Å; I677-I690 HydrophobicContact CG1-CG2 4.06Å; I677-V693 HydrophobicContact CB-CG2 4.11Å; I677-V693 HydrophobicContact CD1-CG2 3.7Å; I677-V693 HydrophobicContact CG1-CG2 3.75Å
678Q95Very high94.6Very high12 Ų1224.1 Ų24.16%0.05613%0.128CC..EExtended strand (participates in β ladder)trans-120.8142.5-175.4-64.8171.115.900111.6V610 E611 N676 I691 E692V610-Q678 CarbonylContact O-C 3.57Å; V610-Q678 WeakPolarHBondContact O-CA 3.41Å; E611-Q678 HydrophobicContact CB-CG 4.29Å; E611-Q678 HydrophobicContact CG-CG 3.97Å; E611-Q678 PolarHBondContact OE1-NE2 2.97Å; N676-Q678 WeakPolarHBondContact OD1-CG 3.43Å; N676-Q678 PolarHBondContact OD1-NE2 3.15Å; N676-Q678 VanDerWaalsContact OD1-NE2 3.12Å; Q678-I691 HydrophobicContact CB-CB 4.1Å; Q678-I691 HydrophobicContact CB-CD1 4.44Å; Q678-I691 PolarHBondContact O-N 3.49Å; Q678-E692 HydrophobicContact CB-CG 4.27Å; Q678-E692 HydrophobicContact CG-CG 4.39Å; Q678-E692 PolarHBondContact N-O 3.28Å; Q678-E692 PolarHBondContact NE2-OE1 3.16Å; Q678-E692 PolarHBondContact OE1-OE1 2.9Å
679Y96.8Very high94.7Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-127.4142-175.6-58-81.5000111.8E609 V610 Y612 L658 T661 A662 I677 Y688 Y689 I690 I691E609-Y679 WeakPolarHBondContact CA-O 3.47Å; V610-Y679 PolarHBondContact N-O 2.95Å; V610-Y679 PolarHBondContact O-N 3.45Å; Y612-Y679 HydrophobicContact CD2-CD2 4.22Å; Y612-Y679 AromaticContact CD2-CE2 3.84Å; Y612-Y679 HydrophobicContact CD2-CE2 3.84Å; L658-Y679 HydrophobicContact CB-CD2 4.33Å; L658-Y679 HydrophobicContact CB-CE2 4.18Å; L658-Y679 HydrophobicContact CD1-CD2 4.37Å; L658-Y679 HydrophobicContact CD1-CG 4.49Å; L658-Y679 HydrophobicContact CD2-CD1 3.78Å; L658-Y679 HydrophobicContact CD2-CD2 4.16Å; L658-Y679 HydrophobicContact CD2-CE1 4.15Å; L658-Y679 HydrophobicContact CD2-CE2 4.5Å; L658-Y679 HydrophobicContact CD2-CG 3.77Å; L658-Y679 PolarHBondContact O-OH 3.34Å; T661-Y679 HydrophobicContact CG2-CE1 3.83Å; A662-Y679 WeakPolarHBondContact CA-OH 3.27Å; A662-Y679 VanDerWaalsContact CB-OH 3.26Å; A662-Y679 WeakPolarHBondContact CB-OH 3.36Å; A662-Y679 PolarHBondContact N-OH 2.85Å; I677-Y679 HydrophobicContact CD1-CE1 4.1Å; I677-Y679 WeakPolarHBondContact CD1-OH 3.42Å; I677-Y679 HydrophobicContact CG1-CE1 4.26Å; I677-Y679 HydrophobicContact CG1-CE2 4.13Å; I677-Y679 HydrophobicContact CG2-CE2 3.92Å; Y679-Y688 AromaticContact CD1-CD2 3.97Å; Y679-Y688 HydrophobicContact CD1-CD2 3.97Å; Y679-Y688 HydrophobicContact CD1-CE2 4.48Å; Y679-Y688 HydrophobicContact CE1-CD2 4.39Å; Y679-Y688 HydrophobicContact CE1-CE2 4.46Å; Y679-Y689 WeakPolarHBondContact CA-O 3.35Å; Y679-I690 HydrophobicContact CD1-CG1 4.04Å; Y679-I690 HydrophobicContact CE1-CG1 3.8Å; Y679-I691 VanDerWaalsContact C-CD1 3.45Å
680A95.8Very high94.8Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-97.5107.8161.100000107.9L604 W607 K608 L634 Y688 Y689 I691L604-A680 HydrophobicContact CB-CB 4.38Å; L604-A680 HydrophobicContact CD1-CB 3.65Å; W607-A680 HydrophobicContact CB-CB 4.41Å; W607-A680 HydrophobicContact CE3-CB 4.26Å; K608-A680 CarbonylContact O-C 3.32Å; K608-A680 WeakPolarHBondContact O-CA 3.17Å; L634-A680 HydrophobicContact CD2-CB 3.56Å; A680-Y688 CarbonylContact O-C 3.58Å; A680-Y688 WeakPolarHBondContact O-CA 3.39Å; A680-Y688 WeakPolarHBondContact O-CB 3.3Å; A680-Y689 PolarHBondContact N-O 3.13Å; A680-Y689 PolarHBondContact O-N 3.01Å; A680-I691 HydrophobicContact CB-CD1 4.02Å; A680-I691 HydrophobicContact CB-CG1 3.96Å
681L97Very high94.7Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-101.3130.9177.6177.768000110.6W607 K608 L650 E654 M657 L658 P683W607-L681 VanDerWaalsContact CE3-C 3.5Å; K608-L681 HydrophobicContact CB-CB 4.29Å; K608-L681 PolarHBondContact N-O 3.3Å; K608-L681 PolarHBondContact O-N 2.91Å; L650-L681 HydrophobicContact CD2-CD2 3.51Å; E654-L681 HydrophobicContact CB-CD2 4.29Å; E654-L681 HydrophobicContact CG-CD2 4.26Å; M657-L681 HydrophobicContact CE-CD1 4.01Å; L658-L681 HydrophobicContact CD1-CD2 4.4Å; L681-P683 WeakPolarHBondContact O-CD 3.25Å
682C95.4Very high94.5Very high16 Ų1625 Ų2511%0.10813%0.125CC..  trans-65126.6177.7-177.60000110.3W607 H684 S685 Q687W607-C682 HydrophobicContact CD2-CB 4.39Å; W607-C682 VanDerWaalsContact CE3-CA 3.5Å; W607-C682 HydrophobicContact CE3-CB 3.88Å; W607-C682 HydrophobicContact CH2-CB 3.76Å; W607-C682 HydrophobicContact CZ2-CB 4.29Å; W607-C682 HydrophobicContact CZ3-CB 3.54Å; C682-H684 PolarHBondContact O-N 3.11Å; C682-S685 WeakPolarHBondContact CB-OG 3.49Å; C682-S685 PolarHBondContact SG-OG 3.13Å; C682-Q687 HydrophobicContact CB-CB 4.18Å; C682-Q687 WeakPolarHBondContact CB-O 3.31Å; C682-Q687 PolarHBondContact N-O 3.05Å
683P93.7Very high94.4Very high31 Ų3124.2 Ų24.220%0.20112%0.121CC..THydrogen-bonded Turntrans-65.2-10178.6-20.331000114.9K608 L681K608-P683 HydrophobicContact CG-CB 4.47Å; K608-P683 HydrophobicContact CG-CG 4.18Å; L681-P683 WeakPolarHBondContact O-CD 3.25Å
684H94.1Very high94.2Very high132 Ų13225.1 Ų25.161%0.61113%0.125SC*.THydrogen-bonded Turntrans-126.75.5-170.5-54-42.9000114C682C682-H684 PolarHBondContact O-N 3.11Å
685S95.3Very high94Very high36 Ų3625.1 Ų25.125%0.25213%0.125SC..SBendtrans-163170.1178.5690000110.2C682 Q687C682-S685 WeakPolarHBondContact CB-OG 3.49Å; C682-S685 PolarHBondContact SG-OG 3.13Å; S685-Q687 PolarHBondContact O-N 2.85Å; S685-Q687 WeakPolarHBondContact OG-CB 3.28Å; S685-Q687 PolarHBondContact OG-N 2.65Å
686E93.9Very high93.6Very high50 Ų5026.1 Ų26.123%0.23413%0.129CC..SBendtrans-77.75.2173.6-71.2168.4160.600113.5W111 R112 R653 M657 Y688W111-E686 HydrophobicContact CZ2-CG 4.27Å; R112-E686 IonicContact CZ-OE1 2.75Å; R112-E686 IonicContact CZ-OE2 2.76Å; R112-E686 IonicContact NH1-OE1 2.77Å; R112-E686 PolarHBondContact NH1-OE1 3.11Å; R112-E686 IonicContact NH2-OE1 3.78Å; R112-E686 PolarHBondContact NH2-OE1 3.42Å; R112-E686 IonicContact NH2-OE2 2.83Å; R112-E686 PolarHBondContact NH2-OE2 3.05Å; R653-E686 WeakPolarHBondContact CG-OE1 3.3Å; R653-E686 IonicContact NE-OE1 3.29Å; M657-E686 HydrophobicContact CE-CB 4.43Å; M657-E686 WeakPolarHBondContact CE-O 3.45Å; M657-E686 HydrophobicContact SD-CB 4.13Å; E686-Y688 PolarHBondContact O-N 3.2Å
687Q95.5Very high93.3Very high86 Ų8626.4 Ų26.440%0.40213%0.13SC..  trans-65.7128.3177.3-173.2177.92100110.4W607 C682 S685 Y689W607-Q687 HydrophobicContact CH2-CB 4.49Å; W607-Q687 HydrophobicContact CH2-CG 4.12Å; W607-Q687 HydrophobicContact CZ3-CG 4.37Å; W607-Q687 WeakPolarHBondContact CZ3-O 3.23Å; C682-Q687 HydrophobicContact CB-CB 4.18Å; C682-Q687 WeakPolarHBondContact CB-O 3.31Å; C682-Q687 PolarHBondContact N-O 3.05Å; S685-Q687 PolarHBondContact O-N 2.85Å; S685-Q687 WeakPolarHBondContact OG-CB 3.28Å; S685-Q687 PolarHBondContact OG-N 2.65Å; Q687-Y689 HydrophobicContact CG-CE2 4.46Å; Q687-Y689 PolarHBondContact NE2-OH 2.65Å
688Y96.2Very high92.9Very high37 Ų3727 Ų2715%0.14513%0.134CC..EExtended strand (participates in β ladder)trans-133.9162174.168.5-88.5000111.9E537 M657 L658 T661 Y679 A680 E686 I690E537-Y688 PolarHBondContact OE2-OH 3.1Å; M657-Y688 HydrophobicContact CE-CD1 3.5Å; M657-Y688 HydrophobicContact CE-CE1 3.97Å; M657-Y688 HydrophobicContact CE-CG 4.42Å; M657-Y688 HydrophobicContact CG-CD1 4.49Å; M657-Y688 HydrophobicContact CG-CE1 3.99Å; M657-Y688 HydrophobicContact SD-CD1 3.89Å; M657-Y688 HydrophobicContact SD-CE1 3.8Å; L658-Y688 HydrophobicContact CD2-CD1 4.15Å; L658-Y688 HydrophobicContact CD2-CD2 4.14Å; L658-Y688 HydrophobicContact CD2-CG 3.86Å; T661-Y688 HydrophobicContact CG2-CE2 3.82Å; T661-Y688 PolarHBondContact OG1-OH 3.02Å; T661-Y688 VanDerWaalsContact OG1-OH 3.06Å; Y679-Y688 AromaticContact CD1-CD2 3.97Å; Y679-Y688 HydrophobicContact CD1-CD2 3.97Å; Y679-Y688 HydrophobicContact CD1-CE2 4.48Å; Y679-Y688 HydrophobicContact CE1-CD2 4.39Å; Y679-Y688 HydrophobicContact CE1-CE2 4.46Å; A680-Y688 CarbonylContact O-C 3.58Å; A680-Y688 WeakPolarHBondContact O-CA 3.39Å; A680-Y688 WeakPolarHBondContact O-CB 3.3Å; E686-Y688 PolarHBondContact O-N 3.2Å; Y688-I690 HydrophobicContact CE2-CG1 4.45Å
689Y95.8Very high92.6Very high28 Ų2827.3 Ų27.311%0.1114%0.135CC..EExtended strand (participates in β ladder)trans-130.4141.2168.1-68.3-73.8000109.8Q538 V539 L604 W607 Y679 A680 Q687 I691Q538-Y689 HydrophobicContact CB-CD1 3.83Å; Q538-Y689 HydrophobicContact CB-CE1 3.97Å; V539-Y689 VanDerWaalsContact O-CD1 3.31Å; V539-Y689 WeakPolarHBondContact O-CD1 3.49Å; L604-Y689 HydrophobicContact CD1-CD2 3.6Å; L604-Y689 HydrophobicContact CD1-CG 3.98Å; L604-Y689 HydrophobicContact CD2-CD2 3.84Å; L604-Y689 HydrophobicContact CD2-CE2 4.02Å; L604-Y689 HydrophobicContact CG-CD2 4.4Å; W607-Y689 HydrophobicContact CH2-CD2 4.21Å; W607-Y689 AromaticContact CH2-CE2 3.97Å; W607-Y689 HydrophobicContact CH2-CE2 3.97Å; W607-Y689 AromaticContact CZ3-CD2 3.97Å; W607-Y689 HydrophobicContact CZ3-CD2 3.97Å; W607-Y689 HydrophobicContact CZ3-CE2 4.19Å; Y679-Y689 WeakPolarHBondContact CA-O 3.35Å; A680-Y689 PolarHBondContact N-O 3.13Å; A680-Y689 PolarHBondContact O-N 3.01Å; Q687-Y689 HydrophobicContact CG-CE2 4.46Å; Q687-Y689 PolarHBondContact NE2-OH 2.65Å; Y689-I691 PolarHBondContact O-N 3Å
690I94.9Very high92.2Very high2 Ų227.9 Ų27.91%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-76.2121.1171.2-57.6165.7000107.9F528 V532 E537 Q538 T661 V665 I677 Y679 Y688F528-I690 HydrophobicContact CE1-CG2 4.36Å; F528-I690 HydrophobicContact CZ-CG2 3.7Å; V532-I690 HydrophobicContact CG1-CD1 3.71Å; E537-I690 HydrophobicContact CB-CD1 3.91Å; E537-I690 HydrophobicContact CG-CD1 4.48Å; Q538-I690 PolarHBondContact O-N 3.44Å; T661-I690 HydrophobicContact CG2-CD1 4.11Å; T661-I690 HydrophobicContact CG2-CG1 4.48Å; V665-I690 HydrophobicContact CG2-CD1 3.61Å; I677-I690 HydrophobicContact CD1-CG2 3.97Å; I677-I690 HydrophobicContact CG1-CG2 4.06Å; Y679-I690 HydrophobicContact CD1-CG1 4.04Å; Y679-I690 HydrophobicContact CE1-CG1 3.8Å; Y688-I690 HydrophobicContact CE2-CG1 4.45Å
691I89.7Confident92Very high25 Ų2528 Ų2813%0.12814%0.139CC..EExtended strand (participates in β ladder)trans-78.8-54.6179.4-60.3171.9000109.2R525 E609 L634 Q678 Y679 A680 Y689R525-I691 PolarHBondContact NH1-O 2.76Å; R525-I691 PolarHBondContact NH2-O 3.14Å; E609-I691 HydrophobicContact CG-CD1 4.03Å; L634-I691 HydrophobicContact CD1-CD1 3.74Å; L634-I691 HydrophobicContact CD2-CD1 4.16Å; Q678-I691 HydrophobicContact CB-CB 4.1Å; Q678-I691 HydrophobicContact CB-CD1 4.44Å; Q678-I691 PolarHBondContact O-N 3.49Å; Y679-I691 VanDerWaalsContact C-CD1 3.45Å; A680-I691 HydrophobicContact CB-CD1 4.02Å; A680-I691 HydrophobicContact CB-CG1 3.96Å; Y689-I691 PolarHBondContact O-N 3Å
692E89.5Confident91.6Very high43 Ų4328.1 Ų28.120%0.20114%0.141CC..EExtended strand (participates in β ladder)trans-163.8164.4-179.360.5-177.6-147.900112.8R525 Q678 N694R525-E692 IonicContact NH2-OE2 3.97Å; R525-E692 PolarHBondContact NH2-OE2 2.9Å; Q678-E692 HydrophobicContact CB-CG 4.27Å; Q678-E692 HydrophobicContact CG-CG 4.39Å; Q678-E692 PolarHBondContact N-O 3.28Å; Q678-E692 PolarHBondContact NE2-OE1 3.16Å; Q678-E692 PolarHBondContact OE1-OE1 2.9Å; E692-N694 PolarHBondContact OE1-ND2 3.31Å
693V91.6Very high91.5Very high3 Ų327.4 Ų27.42%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-127117.6169.6174.70000108.2T522 F528 V665 I666 N676 I677T522-V693 WeakPolarHBondContact CB-O 3.41Å; T522-V693 HydrophobicContact CG2-CB 4.16Å; T522-V693 HydrophobicContact CG2-CG1 3.96Å; F528-V693 HydrophobicContact CE2-CB 3.88Å; F528-V693 HydrophobicContact CE2-CG2 3.66Å; F528-V693 HydrophobicContact CZ-CG2 4.05Å; V665-V693 HydrophobicContact CG1-CG2 3.96Å; I666-V693 HydrophobicContact CD1-CG1 3.61Å; I666-V693 HydrophobicContact CD1-CG2 4.37Å; N676-V693 CarbonylContact O-C 3.52Å; N676-V693 WeakPolarHBondContact O-CA 3.25Å; I677-V693 HydrophobicContact CB-CG2 4.11Å; I677-V693 HydrophobicContact CD1-CG2 3.7Å; I677-V693 HydrophobicContact CG1-CG2 3.75Å
694N90.3Very high91.5Very high24 Ų2426 Ų2613%0.12813%0.126CC..EExtended strand (participates in β ladder)trans-93.896.8173.1-67.8-58.8000108.1C675 N676 E692 R696C675-N694 VanDerWaalsContact CA-O 3.24Å; C675-N694 WeakPolarHBondContact CA-O 3.2Å; C675-N694 VanDerWaalsContact CB-O 3.24Å; C675-N694 WeakPolarHBondContact CB-O 3.45Å; N676-N694 HydrophobicContact CB-CB 4.26Å; N676-N694 PolarHBondContact N-O 2.8Å; N676-N694 PolarHBondContact O-N 2.86Å; E692-N694 PolarHBondContact OE1-ND2 3.31Å; N694-R696 PolarHBondContact O-N 2.75Å
695A88.6Confident91.4Very high2 Ų219.8 Ų19.82%0.01710%0.098CC..  trans-77.137.4-178.200000113.8T514 T522 V671T514-A695 HydrophobicContact CG2-CB 4.19Å; T522-A695 HydrophobicContact CG2-CB 4.15Å; V671-A695 HydrophobicContact CG2-CB 4.24Å
696R86.8Confident91.3Very high22 Ų2218 Ų188%0.0839%0.086CC..SBendtrans-157.6168-178.456.7158.8168.1104.3-3.1109.4T485 L492 N694T485-R696 HydrophobicContact CG2-CB 4.29Å; L492-R696 HydrophobicContact CD1-CB 4.41Å; L492-R696 HydrophobicContact CD1-CG 4.01Å; N694-R696 PolarHBondContact O-N 2.75Å
697L88.2Confident91.2Very high5 Ų515.7 Ų15.73%0.0268%0.075CC..  trans-55.8144.4170.4-78-70.7000110.3F422 T485 F486 E674 A713 A716F422-L697 VanDerWaalsContact CE1-O 3.25Å; F422-L697 WeakPolarHBondContact CE1-O 3.47Å; T485-L697 PolarHBondContact O-N 3.24Å; F486-L697 HydrophobicContact CD1-CD2 4.1Å; F486-L697 HydrophobicContact CD1-CG 4.44Å; F486-L697 HydrophobicContact CE1-CD2 3.96Å; E674-L697 WeakPolarHBondContact OE2-CA 3.35Å; E674-L697 WeakPolarHBondContact OE2-CD1 3.43Å; E674-L697 VanDerWaalsContact OE2-CD2 3.31Å; E674-L697 WeakPolarHBondContact OE2-CD2 3.42Å; E674-L697 PolarHBondContact OE2-N 3.22Å; L697-A713 HydrophobicContact CD1-CB 4.06Å; L697-A713 HydrophobicContact CG-CB 4.48Å; L697-A716 HydrophobicContact CD2-CB 4.42Å
698S87.6Confident91Very high13 Ų1311.6 Ų11.69%0.0916%0.056CC..  trans-136.7176.2179.9750000111.1S700 S701 A702S698-S700 VanDerWaalsContact C-N 3.35Å; S698-S700 PolarHBondContact OG-N 3.28Å; S698-S701 PolarHBondContact N-OG 3.45Å; S698-S701 VanDerWaalsContact O-CB 3.24Å; S698-S701 WeakPolarHBondContact O-CB 3.3Å; S698-S701 PolarHBondContact O-N 2.83Å; S698-S701 VanDerWaalsContact O-N 3.16Å; S698-S701 PolarHBondContact OG-N 3.21Å; S698-S701 VanDerWaalsContact OG-N 3.09Å; S698-S701 PolarHBondContact OG-OG 3.05Å; S698-A702 PolarHBondContact O-N 3.44Å; S698-A702 VanDerWaalsContact O-N 3.15Å
699R87.5Confident90.6Very high19 Ų1910 Ų107%0.0725%0.05CC..Hα-helixtrans-62.8-42.8172-177.1-179.8-80.8-180-4.1111.1E421 S701 A702 L703 S772 E775 E991E421-R699 HydrophobicContact CG-CB 4.39Å; R699-S701 PolarHBondContact O-N 3.08Å; R699-A702 PolarHBondContact O-N 3.35Å; R699-A702 VanDerWaalsContact O-N 3.14Å; R699-L703 PolarHBondContact O-N 3.16Å; R699-S772 PolarHBondContact NH1-OG 2.9Å; R699-E775 WeakPolarHBondContact CD-OE2 3.38Å; R699-E775 VanDerWaalsContact CG-CD 3.43Å; R699-E775 WeakPolarHBondContact CG-OE1 3.31Å; R699-E775 WeakPolarHBondContact CG-OE2 3.2Å; R699-E991 IonicContact CZ-OE1 2.73Å; R699-E991 IonicContact NE-OE1 3.22Å; R699-E991 PolarHBondContact NE-OE1 3.42Å; R699-E991 IonicContact NH2-OE1 2.79Å; R699-E991 PolarHBondContact NH2-OE1 2.84Å
700S89.1Confident90.3Very high12 Ų128.7 Ų8.78%0.0845%0.045CC..Hα-helixtrans-58.6-33.2171.9-60.70000111.9E611 S698 L703 A704E611-S700 WeakPolarHBondContact OE2-CB 3.23Å; E611-S700 PolarHBondContact OE2-OG 2.9Å; S698-S700 VanDerWaalsContact C-N 3.35Å; S698-S700 PolarHBondContact OG-N 3.28Å; S700-L703 WeakPolarHBondContact O-CB 3.46Å; S700-L703 PolarHBondContact O-N 3.3Å; S700-A704 VanDerWaalsContact O-CB 3.24Å; S700-A704 WeakPolarHBondContact O-CB 3.31Å; S700-A704 PolarHBondContact O-N 3.29Å
701S90.8Very high90.1Very high1 Ų18.7 Ų8.71%0.0075%0.045CC..Hα-helixtrans-66.7-42.2175.4-46.30000112.8E613 E674 S698 R699 A704 S705 L712E613-S701 WeakPolarHBondContact OE1-CA 3.28Å; E613-S701 WeakPolarHBondContact OE1-CB 3.49Å; E613-S701 PolarHBondContact OE1-OG 2.96Å; E674-S701 PolarHBondContact OE1-OG 3.47Å; E674-S701 VanDerWaalsContact OE1-OG 3.06Å; S698-S701 PolarHBondContact N-OG 3.45Å; S698-S701 VanDerWaalsContact O-CB 3.24Å; S698-S701 WeakPolarHBondContact O-CB 3.3Å; S698-S701 PolarHBondContact O-N 2.83Å; S698-S701 VanDerWaalsContact O-N 3.16Å; S698-S701 PolarHBondContact OG-N 3.21Å; S698-S701 VanDerWaalsContact OG-N 3.09Å; S698-S701 PolarHBondContact OG-OG 3.05Å; R699-S701 PolarHBondContact O-N 3.08Å; S701-A704 PolarHBondContact O-N 3.15Å; S701-S705 WeakPolarHBondContact O-CB 3.3Å; S701-S705 PolarHBondContact O-N 3.27Å; S701-L712 WeakPolarHBondContact O-CD1 3.39Å
702A90Very high90.2Very high3 Ų37.6 Ų7.63%0.0254%0.04CC..Hα-helixtrans-62.5-46.8174.200000110.6E421 Y424 S698 R699 S705 K706E421-A702 HydrophobicContact CB-CB 3.87Å; Y424-A702 HydrophobicContact CD1-CB 4.3Å; S698-A702 PolarHBondContact O-N 3.44Å; S698-A702 VanDerWaalsContact O-N 3.15Å; R699-A702 PolarHBondContact O-N 3.35Å; R699-A702 VanDerWaalsContact O-N 3.14Å; A702-S705 WeakPolarHBondContact O-CB 3.39Å; A702-S705 PolarHBondContact O-N 3.41Å; A702-K706 WeakPolarHBondContact O-CG 3.38Å; A702-K706 PolarHBondContact O-N 3.43Å
703L92.1Very high90.3Very high2 Ų25.5 Ų5.51%0.013%0.03CC..Hα-helixtrans-55.7-52.8173.8176.466.9000111.8M628 V643 R699 S700 S705 K706 A707 V748 K750 M777 P990M628-L703 HydrophobicContact SD-CD2 3.96Å; V643-L703 HydrophobicContact CG1-CD2 4.42Å; R699-L703 PolarHBondContact O-N 3.16Å; S700-L703 WeakPolarHBondContact O-CB 3.46Å; S700-L703 PolarHBondContact O-N 3.3Å; L703-S705 PolarHBondContact O-N 2.93Å; L703-K706 PolarHBondContact O-N 3.21Å; L703-K706 VanDerWaalsContact O-N 3.13Å; L703-A707 WeakPolarHBondContact O-CB 3.11Å; L703-A707 PolarHBondContact O-N 3.34Å; L703-V748 HydrophobicContact CD1-CG1 4.41Å; L703-K750 HydrophobicContact CD1-CB 3.89Å; L703-K750 HydrophobicContact CD1-CG 4.23Å; L703-K750 HydrophobicContact CD2-CB 3.68Å; L703-K750 HydrophobicContact CD2-CG 4.02Å; L703-K750 HydrophobicContact CG-CB 4.45Å; L703-M777 HydrophobicContact CD1-CB 4.07Å; L703-M777 HydrophobicContact CD1-CG 3.79Å; L703-M777 HydrophobicContact CD1-SD 3.74Å; L703-P990 HydrophobicContact CD1-CB 4.47Å; L703-P990 HydrophobicContact CD1-CG 4.34Å
704A93.8Very high90.4Very high0 Ų06.5 Ų6.50%03%0.034CC..Hα-helixtrans-57.3-38.8-18000000112E613 C626 M628 S700 S701 T708 L712E613-A704 HydrophobicContact CB-CB 4.23Å; E613-A704 HydrophobicContact CG-CB 4.12Å; C626-A704 HydrophobicContact CB-CB 3.57Å; M628-A704 HydrophobicContact CE-CB 4.09Å; S700-A704 VanDerWaalsContact O-CB 3.24Å; S700-A704 WeakPolarHBondContact O-CB 3.31Å; S700-A704 PolarHBondContact O-N 3.29Å; S701-A704 PolarHBondContact O-N 3.15Å; A704-T708 WeakPolarHBondContact O-CB 2.82Å; A704-T708 WeakPolarHBondContact O-CG2 3.42Å; A704-T708 PolarHBondContact O-N 3.32Å; A704-T708 PolarHBondContact O-OG1 2.8Å; A704-L712 HydrophobicContact CB-CD1 3.76Å
705S92.4Very high90.6Very high2 Ų25.5 Ų5.51%0.0143%0.028CC..Hα-helixtrans-63.7-43.3177.7-172.60000112.3Y424 S701 A702 L703 G709 Y710Y424-S705 PolarHBondContact OH-OG 3.36Å; S701-S705 WeakPolarHBondContact O-CB 3.3Å; S701-S705 PolarHBondContact O-N 3.27Å; A702-S705 WeakPolarHBondContact O-CB 3.39Å; A702-S705 PolarHBondContact O-N 3.41Å; L703-S705 PolarHBondContact O-N 2.93Å; S705-G709 CarbonylContact O-C 3.56Å; S705-G709 WeakPolarHBondContact O-CA 3.25Å; S705-G709 PolarHBondContact O-N 2.84Å; S705-Y710 WeakPolarHBondContact CA-O 3.26Å; S705-Y710 WeakPolarHBondContact CB-O 3.28Å; S705-Y710 PolarHBondContact O-N 3.48Å; S705-Y710 PolarHBondContact OG-O 3.16Å
706K92.3Very high90.9Very high0 Ų05.5 Ų5.50%03%0.028CC..Hα-helixtrans-76-37.4178.3-54.6-48177.1174.10112.5A702 L703 T708 M777 Y930 P990 T995 D996 F1005A702-K706 WeakPolarHBondContact O-CG 3.38Å; A702-K706 PolarHBondContact O-N 3.43Å; L703-K706 PolarHBondContact O-N 3.21Å; L703-K706 VanDerWaalsContact O-N 3.13Å; K706-T708 VanDerWaalsContact C-N 3.35Å; K706-T708 PolarHBondContact O-N 2.59Å; K706-M777 HydrophobicContact CB-CE 4.28Å; K706-M777 HydrophobicContact CB-SD 3.72Å; K706-Y930 HydrophobicContact CD-CE2 4.49Å; K706-P990 HydrophobicContact CB-CB 4.27Å; K706-P990 HydrophobicContact CG-CB 3.92Å; K706-T995 WeakPolarHBondContact CD-O 3.39Å; K706-T995 PolarHBondContact NZ-O 3.32Å; K706-D996 VanDerWaalsContact NZ-CA 3.29Å; K706-D996 IonicContact NZ-OD1 2.97Å; K706-D996 PolarHBondContact NZ-OD1 2.93Å; K706-F1005 HydrophobicContact CB-CE1 4.48Å; K706-F1005 HydrophobicContact CB-CE2 4.31Å; K706-F1005 HydrophobicContact CB-CZ 3.76Å; K706-F1005 HydrophobicContact CD-CE2 4.49Å; K706-F1005 HydrophobicContact CD-CZ 4.06Å; K706-F1005 HydrophobicContact CG-CZ 3.84Å
707A92.7Very high91.2Very high0 Ų04.5 Ų4.50%03%0.025CC..Hα-helixtrans-65.9-36-179.900000112.7L703 Y746 V748 M777L703-A707 WeakPolarHBondContact O-CB 3.11Å; L703-A707 PolarHBondContact O-N 3.34Å; A707-Y746 VanDerWaalsContact O-CE2 3.26Å; A707-Y746 WeakPolarHBondContact O-CE2 3.43Å; A707-Y746 PolarHBondContact O-OH 3.27Å; A707-V748 HydrophobicContact CB-CB 4.3Å; A707-V748 HydrophobicContact CB-CG1 4.05Å; A707-V748 HydrophobicContact CB-CG2 4.01Å; A707-M777 VanDerWaalsContact CA-CE 3.48Å; A707-M777 HydrophobicContact CB-CE 4.1Å; A707-M777 HydrophobicContact CB-SD 4.38Å
708T91.7Very high91.5Very high1 Ų15 Ų51%0.0063%0.026CC..Hα-helixtrans-97.5-22.4-179.260.20000112.8C626 A704 K706 Y710 P742 L744 T919C626-T708 HydrophobicContact CB-CG2 3.9Å; A704-T708 WeakPolarHBondContact O-CB 2.82Å; A704-T708 WeakPolarHBondContact O-CG2 3.42Å; A704-T708 PolarHBondContact O-N 3.32Å; A704-T708 PolarHBondContact O-OG1 2.8Å; K706-T708 VanDerWaalsContact C-N 3.35Å; K706-T708 PolarHBondContact O-N 2.59Å; T708-Y710 WeakPolarHBondContact OG1-CB 3.36Å; T708-Y710 PolarHBondContact OG1-N 3.12Å; T708-P742 HydrophobicContact CG2-CB 4.02Å; T708-P742 HydrophobicContact CG2-CG 4.23Å; T708-L744 HydrophobicContact CG2-CD2 4.11Å; T708-T919 WeakPolarHBondContact O-CG2 3.3Å
709G87.8Confident91.9Very high2 Ų24.4 Ų4.42%0.0212%0.022CC..  trans76.58.8-164.800000113.1S705 V732S705-G709 CarbonylContact O-C 3.56Å; S705-G709 WeakPolarHBondContact O-CA 3.25Å; S705-G709 PolarHBondContact O-N 2.84Å; G709-V732 WeakPolarHBondContact O-CG2 3.47Å
710Y89.9Confident92.1Very high1 Ų13.9 Ų3.90%0.0042%0.022CC..  trans-87.7121.5177.9-167.6-79.7000110.8V625 S705 T708 L712 V715 A738 F740 P742V625-Y710 HydrophobicContact CG1-CD1 3.75Å; V625-Y710 HydrophobicContact CG1-CD2 4.17Å; V625-Y710 HydrophobicContact CG1-CE1 4.43Å; V625-Y710 HydrophobicContact CG1-CG 3.59Å; V625-Y710 HydrophobicContact CG2-CD1 4.15Å; V625-Y710 HydrophobicContact CG2-CE1 4Å; V625-Y710 HydrophobicContact CG2-CE2 4.45Å; V625-Y710 HydrophobicContact CG2-CG 4.44Å; S705-Y710 WeakPolarHBondContact CA-O 3.26Å; S705-Y710 WeakPolarHBondContact CB-O 3.28Å; S705-Y710 PolarHBondContact O-N 3.48Å; S705-Y710 PolarHBondContact OG-O 3.16Å; T708-Y710 WeakPolarHBondContact OG1-CB 3.36Å; T708-Y710 PolarHBondContact OG1-N 3.12Å; Y710-L712 VanDerWaalsContact C-N 3.31Å; Y710-L712 HydrophobicContact CD1-CD2 3.82Å; Y710-L712 HydrophobicContact CD1-CG 3.92Å; Y710-L712 HydrophobicContact CE1-CD2 4.02Å; Y710-L712 PolarHBondContact O-N 3.08Å; Y710-V715 HydrophobicContact CE1-CB 4.14Å; Y710-V715 HydrophobicContact CE1-CG1 4.33Å; Y710-V715 HydrophobicContact CE1-CG2 3.82Å; Y710-A738 HydrophobicContact CE2-CB 4.49Å; Y710-A738 VanDerWaalsContact CE2-O 3.25Å; Y710-A738 WeakPolarHBondContact CE2-O 3.36Å; Y710-A738 PolarHBondContact OH-O 3.13Å; Y710-F740 HydrophobicContact CD2-CE1 4.17Å; Y710-F740 HydrophobicContact CD2-CZ 4.19Å; Y710-F740 HydrophobicContact CE2-CD1 4.45Å; Y710-F740 HydrophobicContact CE2-CE1 4.03Å; Y710-F740 HydrophobicContact CE2-CZ 4.48Å; Y710-P742 HydrophobicContact CD2-CG 4.12Å
711P89.3Confident92.2Very high3 Ų33.7 Ų3.72%0.0192%0.02CC..  trans-80.871.2-173.633.8-36.4000112.4A713 Y714 V715 S731 V732 Y997P711-A713 PolarHBondContact O-N 3.17Å; P711-Y714 HydrophobicContact CG-CD1 4.48Å; P711-Y714 PolarHBondContact O-N 2.77Å; P711-V715 HydrophobicContact CG-CG2 4.28Å; P711-V715 WeakPolarHBondContact O-CG2 3.38Å; P711-V715 PolarHBondContact O-N 3.07Å; P711-S731 WeakPolarHBondContact CG-OG 3.14Å; P711-V732 HydrophobicContact CG-CG2 4.15Å; P711-Y997 HydrophobicContact CB-CD1 4.3Å; P711-Y997 HydrophobicContact CB-CE1 3.93Å
712L92.3Very high92.1Very high1 Ų14.3 Ų4.31%0.0053%0.027CC..Hα-helixtrans-51.6-52.2-171.7-78.2166000113.8E613 V615 V625 E674 S701 A704 Y710 Y714 V715 A716E613-L712 HydrophobicContact CG-CD1 3.69Å; E613-L712 HydrophobicContact CG-CD2 4.13Å; V615-L712 HydrophobicContact CG2-CD2 3.49Å; V615-L712 VanDerWaalsContact CG2-CD2 3.49Å; V625-L712 HydrophobicContact CB-CD2 3.97Å; V625-L712 HydrophobicContact CG1-CD1 4.48Å; V625-L712 HydrophobicContact CG1-CD2 3.88Å; V625-L712 HydrophobicContact CG1-CG 4.27Å; V625-L712 HydrophobicContact CG2-CD2 3.82Å; E674-L712 HydrophobicContact CG-CD2 4.1Å; S701-L712 WeakPolarHBondContact O-CD1 3.39Å; A704-L712 HydrophobicContact CB-CD1 3.76Å; Y710-L712 VanDerWaalsContact C-N 3.31Å; Y710-L712 HydrophobicContact CD1-CD2 3.82Å; Y710-L712 HydrophobicContact CD1-CG 3.92Å; Y710-L712 HydrophobicContact CE1-CD2 4.02Å; Y710-L712 PolarHBondContact O-N 3.08Å; L712-Y714 VanDerWaalsContact C-N 3.33Å; L712-Y714 PolarHBondContact O-N 3.22Å; L712-V715 PolarHBondContact O-N 3.09Å; L712-A716 VanDerWaalsContact O-CB 3.28Å; L712-A716 WeakPolarHBondContact O-CB 3.39Å; L712-A716 PolarHBondContact O-N 3.06Å
713A92.7Very high92.2Very high0 Ų07.2 Ų7.20%04%0.042CC..Hα-helixtrans-65.3-36-177.200000112.6Y424 Q428 F486 L697 P711 A717Y424-A713 HydrophobicContact CE1-CB 4.3Å; Q428-A713 HydrophobicContact CB-CB 3.69Å; Q428-A713 HydrophobicContact CG-CB 4.04Å; F486-A713 HydrophobicContact CE1-CB 4.46Å; F486-A713 WeakPolarHBondContact CE1-O 3.39Å; L697-A713 HydrophobicContact CD1-CB 4.06Å; L697-A713 HydrophobicContact CG-CB 4.48Å; P711-A713 PolarHBondContact O-N 3.17Å; A713-A717 WeakPolarHBondContact O-CB 3.38Å; A713-A717 PolarHBondContact O-N 2.81Å
714Y92.9Very high92.1Very high24 Ų248.5 Ų8.59%0.0945%0.05CC..Hα-helixtrans-67.6-47.1175.6170.3-92000111.2A432 E435 P711 L712 A717 K718A432-Y714 HydrophobicContact CB-CD2 3.75Å; A432-Y714 HydrophobicContact CB-CE2 3.95Å; E435-Y714 VanDerWaalsContact OE2-CE2 3.26Å; E435-Y714 WeakPolarHBondContact OE2-CE2 3.28Å; E435-Y714 PolarHBondContact OE2-OH 3.46Å; P711-Y714 HydrophobicContact CG-CD1 4.48Å; P711-Y714 PolarHBondContact O-N 2.77Å; L712-Y714 VanDerWaalsContact C-N 3.33Å; L712-Y714 PolarHBondContact O-N 3.22Å; Y714-A717 PolarHBondContact O-N 3.41Å; Y714-K718 HydrophobicContact CE1-CG 4.15Å; Y714-K718 PolarHBondContact O-N 3.47Å; Y714-K718 WeakPolarHBondContact OH-CE 3.29Å
715V94.1Very high92Very high2 Ų28.5 Ų8.51%0.0125%0.05CC..Hα-helixtrans-61-48.2176.6174.20000110.1V615 Y710 P711 L712 A717 K718 L719 L725 I728 A738V615-V715 HydrophobicContact CG1-CG1 4.16Å; Y710-V715 HydrophobicContact CE1-CB 4.14Å; Y710-V715 HydrophobicContact CE1-CG1 4.33Å; Y710-V715 HydrophobicContact CE1-CG2 3.82Å; P711-V715 HydrophobicContact CG-CG2 4.28Å; P711-V715 WeakPolarHBondContact O-CG2 3.38Å; P711-V715 PolarHBondContact O-N 3.07Å; L712-V715 PolarHBondContact O-N 3.09Å; V715-A717 VanDerWaalsContact C-N 3.26Å; V715-A717 PolarHBondContact O-N 3.05Å; V715-K718 PolarHBondContact O-N 2.78Å; V715-L719 HydrophobicContact CG1-CD1 4.05Å; V715-L719 HydrophobicContact CG1-CG 4.18Å; V715-L719 VanDerWaalsContact O-CG 3.31Å; V715-L719 WeakPolarHBondContact O-CG 3.47Å; V715-L719 PolarHBondContact O-N 2.78Å; V715-L725 HydrophobicContact CG1-CD1 3.61Å; V715-I728 HydrophobicContact CG1-CD1 4.29Å; V715-I728 HydrophobicContact CG2-CG2 4.46Å; V715-A738 HydrophobicContact CG2-CB 4.3Å
716A94.7Very high92Very high3 Ų39.3 Ų9.33%0.0256%0.055CC..Hα-helixtrans-56.6-39.2177.400000112.5F486 E674 L697 L712 L719 A720F486-A716 HydrophobicContact CE1-CB 4.39Å; F486-A716 HydrophobicContact CZ-CB 4.23Å; E674-A716 HydrophobicContact CB-CB 4.11Å; L697-A716 HydrophobicContact CD2-CB 4.42Å; L712-A716 VanDerWaalsContact O-CB 3.28Å; L712-A716 WeakPolarHBondContact O-CB 3.39Å; L712-A716 PolarHBondContact O-N 3.06Å; A716-L719 PolarHBondContact O-N 2.81Å; A716-A720 PolarHBondContact O-N 3.2Å
717A94.2Very high91.8Very high0 Ų015 Ų150%09%0.085CC..Hα-helixtrans-68.4-37.2176.500000112.9A429 A432 M433 F486 A713 Y714 V715 A720A429-A717 HydrophobicContact CB-CB 4.08Å; A432-A717 HydrophobicContact CB-CB 3.61Å; M433-A717 HydrophobicContact CE-CB 4.08Å; M433-A717 WeakPolarHBondContact CE-O 3.28Å; F486-A717 HydrophobicContact CE1-CB 4.21Å; F486-A717 HydrophobicContact CZ-CB 3.82Å; A713-A717 WeakPolarHBondContact O-CB 3.38Å; A713-A717 PolarHBondContact O-N 2.81Å; Y714-A717 PolarHBondContact O-N 3.41Å; V715-A717 VanDerWaalsContact C-N 3.26Å; V715-A717 PolarHBondContact O-N 3.05Å; A717-A720 WeakPolarHBondContact O-CB 3.31Å; A717-A720 PolarHBondContact O-N 3.17Å
718K94.1Very high91.6Very high15 Ų1515.5 Ų15.57%0.0659%0.088CC..Hα-helixtrans-67.7-40.2172.9-68.2-64.2-171.4-175.50111.7A432 E435 S436 Y714 V715 A720 L721 L723 I728A432-K718 HydrophobicContact CB-CD 4.13Å; A432-K718 HydrophobicContact CB-CG 4.25Å; A432-K718 PolarHBondContact O-NZ 3.09Å; E435-K718 IonicContact OE2-NZ 3.78Å; E435-K718 PolarHBondContact OE2-NZ 2.62Å; E435-K718 VanDerWaalsContact OE2-NZ 3.16Å; S436-K718 PolarHBondContact OG-NZ 2.82Å; Y714-K718 HydrophobicContact CE1-CG 4.15Å; Y714-K718 PolarHBondContact O-N 3.47Å; Y714-K718 WeakPolarHBondContact OH-CE 3.29Å; V715-K718 PolarHBondContact O-N 2.78Å; K718-A720 VanDerWaalsContact C-N 3.28Å; K718-A720 PolarHBondContact O-N 3.25Å; K718-L721 WeakPolarHBondContact O-CB 3.42Å; K718-L721 PolarHBondContact O-N 3.41Å; K718-L721 VanDerWaalsContact O-N 3.1Å; K718-L723 HydrophobicContact CB-CD1 4.05Å; K718-L723 HydrophobicContact CD-CD1 4.1Å; K718-I728 HydrophobicContact CB-CD1 3.67Å; K718-I728 HydrophobicContact CB-CG1 4.32Å
719L94.5Very high91.2Very high1 Ų122.4 Ų22.41%0.00512%0.118CC..Hα-helixtrans-62.3-35.9174.7-67.2-178.4000112.2V615 D617 V715 A716 L721 G722 L723 L725 I728V615-L719 HydrophobicContact CG1-CD1 3.4Å; V615-L719 VanDerWaalsContact CG1-CD1 3.4Å; D617-L719 HydrophobicContact CB-CD2 3.5Å; V715-L719 HydrophobicContact CG1-CD1 4.05Å; V715-L719 HydrophobicContact CG1-CG 4.18Å; V715-L719 VanDerWaalsContact O-CG 3.31Å; V715-L719 WeakPolarHBondContact O-CG 3.47Å; V715-L719 PolarHBondContact O-N 2.78Å; A716-L719 PolarHBondContact O-N 2.81Å; L719-L721 PolarHBondContact O-N 2.94Å; L719-L721 VanDerWaalsContact O-N 3.14Å; L719-G722 PolarHBondContact O-N 3.28Å; L719-L723 VanDerWaalsContact CD2-O 3.28Å; L719-L723 WeakPolarHBondContact CD2-O 3.34Å; L719-L725 HydrophobicContact CD1-CD1 4.32Å; L719-L725 HydrophobicContact CD2-CB 4.08Å; L719-L725 HydrophobicContact CD2-CD1 4.21Å; L719-I728 HydrophobicContact CD2-CD1 3.58Å; L719-I728 HydrophobicContact CG-CD1 4.02Å
720A92.9Very high90.5Very high8 Ų822.4 Ų22.47%0.06612%0.118CC..THydrogen-bonded Turntrans-62.2-18.3175.300000114L483 L512 A716 A717 K718 G722L483-A720 HydrophobicContact CD2-CB 3.64Å; L512-A720 HydrophobicContact CB-CB 4.31Å; A716-A720 PolarHBondContact O-N 3.2Å; A717-A720 WeakPolarHBondContact O-CB 3.31Å; A717-A720 PolarHBondContact O-N 3.17Å; K718-A720 VanDerWaalsContact C-N 3.28Å; K718-A720 PolarHBondContact O-N 3.25Å; A720-G722 VanDerWaalsContact C-N 3.34Å
721L91.9Very high89.4Confident8 Ų824.4 Ų24.44%0.04213%0.131CC..THydrogen-bonded Turntrans-86.7-1.3173.2-59.8176.1000113.4M402 P403 M433 I438 K718 L719M402-L721 HydrophobicContact CE-CD1 4.35Å; M402-L721 HydrophobicContact SD-CB 4.21Å; P403-L721 HydrophobicContact CG-CD2 3.94Å; M433-L721 HydrophobicContact CE-CD1 3.93Å; M433-L721 HydrophobicContact CE-CD2 3.83Å; M433-L721 HydrophobicContact CE-CG 3.77Å; M433-L721 HydrophobicContact SD-CD1 4.24Å; M433-L721 HydrophobicContact SD-CD2 3.79Å; M433-L721 HydrophobicContact SD-CG 4.28Å; I438-L721 HydrophobicContact CD1-CD1 3.62Å; I438-L721 HydrophobicContact CD1-CD2 3.44Å; I438-L721 VanDerWaalsContact CD1-CD2 3.44Å; I438-L721 HydrophobicContact CD1-CG 4.19Å; K718-L721 WeakPolarHBondContact O-CB 3.42Å; K718-L721 PolarHBondContact O-N 3.41Å; K718-L721 VanDerWaalsContact O-N 3.1Å; L719-L721 PolarHBondContact O-N 2.94Å; L719-L721 VanDerWaalsContact O-N 3.14Å
722G88.7Confident88.2Confident14 Ų1424.6 Ų24.614%0.14413%0.133CC..THydrogen-bonded Turntrans81.922.3-178.900000114.3Y619 L719 A720Y619-G722 VanDerWaalsContact CE2-O 3.25Å; Y619-G722 WeakPolarHBondContact CE2-O 3.4Å; Y619-G722 PolarHBondContact OH-O 3.43Å; L719-G722 PolarHBondContact O-N 3.28Å; A720-G722 VanDerWaalsContact C-N 3.34Å
723L90.1Very high87Confident65 Ų6525 Ų2534%0.3414%0.135SC..  trans-77.2134.3171.1-65.1174.3000110.3K718 L719 I728K718-L723 HydrophobicContact CB-CD1 4.05Å; K718-L723 HydrophobicContact CD-CD1 4.1Å; L719-L723 VanDerWaalsContact CD2-O 3.28Å; L719-L723 WeakPolarHBondContact CD2-O 3.34Å; L723-I728 HydrophobicContact CB-CD1 4.42Å; L723-I728 HydrophobicContact CB-CG1 4.36Å
724P90.8Very high85.8Confident29 Ų2926.7 Ų26.719%0.18815%0.153CC..  trans-63.7139.2171.1-18.530.7000111.5D617 Y619 P726 D727 I728D617-P724 WeakPolarHBondContact OD2-CA 3.46Å; Y619-P724 HydrophobicContact CD2-CB 3.84Å; Y619-P724 HydrophobicContact CD2-CG 3.75Å; Y619-P724 HydrophobicContact CE2-CB 4.08Å; Y619-P724 HydrophobicContact CE2-CG 3.51Å; P724-P726 VanDerWaalsContact C-CD 3.47Å; P724-P726 VanDerWaalsContact C-N 3.35Å; P724-D727 HydrophobicContact CB-CB 4.45Å; P724-D727 WeakPolarHBondContact CG-OD2 3.34Å; P724-D727 PolarHBondContact O-N 3.19Å; P724-D727 VanDerWaalsContact O-N 3.14Å; P724-I728 PolarHBondContact O-N 3.28Å
725L92.2Very high84.8Confident0 Ų032.3 Ų32.30%019%0.185CC..G310 helixtrans-57.6-39.8179.1-174.560.1000113.2V615 D617 N621 I623 V715 L719 D727 I728 A738 C739V615-L725 HydrophobicContact CG1-CD1 4.19Å; V615-L725 HydrophobicContact CG1-CD2 4.16Å; D617-L725 HydrophobicContact CB-CB 4.1Å; D617-L725 PolarHBondContact OD2-N 2.89Å; N621-L725 HydrophobicContact CB-CB 4.26Å; I623-L725 HydrophobicContact CD1-CD2 3.82Å; I623-L725 HydrophobicContact CG1-CD2 3.82Å; V715-L725 HydrophobicContact CG1-CD1 3.61Å; L719-L725 HydrophobicContact CD1-CD1 4.32Å; L719-L725 HydrophobicContact CD2-CB 4.08Å; L719-L725 HydrophobicContact CD2-CD1 4.21Å; L725-D727 PolarHBondContact O-N 2.76Å; L725-I728 HydrophobicContact CD1-CD1 4.45Å; L725-I728 PolarHBondContact O-N 2.95Å; L725-A738 HydrophobicContact CD1-CB 4.14Å; L725-C739 HydrophobicContact CB-CB 4.33Å; L725-C739 HydrophobicContact CD2-CB 4.1Å; L725-C739 HydrophobicContact CG-CB 3.74Å
726P91.3Very high84.1Confident18 Ų1833.2 Ų33.212%0.11719%0.19CC..G310 helixtrans-62.2-28.8177.6-25.737000114.5L298 C305 N621 P724 I728 T737 C739L298-P726 HydrophobicContact CD2-CB 3.89Å; L298-P726 HydrophobicContact CD2-CG 4.06Å; C305-P726 HydrophobicContact CB-CB 4.48Å; C305-P726 HydrophobicContact CB-CG 3.61Å; N621-P726 WeakPolarHBondContact ND2-CD 3.31Å; P724-P726 VanDerWaalsContact C-CD 3.47Å; P724-P726 VanDerWaalsContact C-N 3.35Å; P726-I728 VanDerWaalsContact C-N 3.33Å; P726-T737 VanDerWaalsContact CA-OG1 3.25Å; P726-T737 WeakPolarHBondContact CA-OG1 3.43Å; P726-T737 PolarHBondContact O-OG1 2.88Å; P726-C739 HydrophobicContact CB-CB 4.32Å; P726-C739 HydrophobicContact CG-CB 4.07Å
727D89.1Confident83.8Confident119 Ų11933.5 Ų33.564%0.63619%0.192SC*.G310 helixtrans-81.9-15.6-178.2-64.4-13.6000112.3P724 L725 K729P724-D727 HydrophobicContact CB-CB 4.45Å; P724-D727 WeakPolarHBondContact CG-OD2 3.34Å; P724-D727 PolarHBondContact O-N 3.19Å; P724-D727 VanDerWaalsContact O-N 3.14Å; L725-D727 PolarHBondContact O-N 2.76Å; D727-K729 PolarHBondContact O-N 2.99Å
728I89.1Confident83.6Confident12 Ų1233.6 Ų33.66%0.06219%0.192CC..SBendtrans-78.1113.2173.3-60172.1000107.3V715 K718 L719 L723 P724 L725 P726 A738V715-I728 HydrophobicContact CG1-CD1 4.29Å; V715-I728 HydrophobicContact CG2-CG2 4.46Å; K718-I728 HydrophobicContact CB-CD1 3.67Å; K718-I728 HydrophobicContact CB-CG1 4.32Å; L719-I728 HydrophobicContact CD2-CD1 3.58Å; L719-I728 HydrophobicContact CG-CD1 4.02Å; L723-I728 HydrophobicContact CB-CD1 4.42Å; L723-I728 HydrophobicContact CB-CG1 4.36Å; P724-I728 PolarHBondContact O-N 3.28Å; L725-I728 HydrophobicContact CD1-CD1 4.45Å; L725-I728 PolarHBondContact O-N 2.95Å; P726-I728 VanDerWaalsContact C-N 3.33Å; I728-A738 HydrophobicContact CB-CB 4.08Å; I728-A738 HydrophobicContact CG2-CB 3.89Å; I728-A738 VanDerWaalsContact O-CB 3.24Å; I728-A738 WeakPolarHBondContact O-CB 3.33Å; I728-A738 PolarHBondContact O-N 2.71Å
729K82.2Confident83.5Confident146 Ų14632.9 Ų32.964%0.63519%0.189SC*.BIsolated β-bridgetrans-67.3139.4170-67-170.1174.1-166.20109.7D727 S731D727-K729 PolarHBondContact O-N 2.99Å; K729-S731 PolarHBondContact O-N 3.29Å
730N74.3Confident83.2Confident2 Ų232.9 Ų32.91%0.01119%0.189CC..  trans-62.4107.3168.3-179.2-5.8000108.2V732 T733 G734 T736 F740N730-V732 PolarHBondContact O-N 3.05Å; N730-V732 VanDerWaalsContact O-N 3.14Å; N730-V732 WeakPolarHBondContact OD1-CB 3.27Å; N730-V732 PolarHBondContact OD1-N 3.37Å; N730-T733 WeakPolarHBondContact CB-OG1 3.47Å; N730-T733 VanDerWaalsContact ND2-CG2 3.28Å; N730-T733 WeakPolarHBondContact ND2-CG2 3.38Å; N730-T733 PolarHBondContact O-N 3.43Å; N730-T733 PolarHBondContact O-OG1 2.91Å; N730-G734 WeakPolarHBondContact O-CA 3.47Å; N730-G734 PolarHBondContact O-N 2.91Å; N730-T736 WeakPolarHBondContact CB-O 3.45Å; N730-T736 PolarHBondContact N-O 2.87Å; N730-F740 HydrophobicContact CB-CE1 4.42Å
731S67Low83.1Confident42 Ų4232.8 Ų32.829%0.29419%0.187SC..THydrogen-bonded Turntrans-66.8-14.5-176.154.90000113.4P711 K729 Y997P711-S731 WeakPolarHBondContact CG-OG 3.14Å; K729-S731 PolarHBondContact O-N 3.29Å; S731-Y997 PolarHBondContact OG-OH 3.16Å
732V63.6Low83.1Confident8 Ų832.7 Ų32.75%0.04819%0.187CC..THydrogen-bonded Turntrans-85.3-27.1179.9172.10000111.5G709 P711 N730 S927 T928 Y997G709-V732 WeakPolarHBondContact O-CG2 3.47Å; P711-V732 HydrophobicContact CG-CG2 4.15Å; N730-V732 PolarHBondContact O-N 3.05Å; N730-V732 VanDerWaalsContact O-N 3.14Å; N730-V732 WeakPolarHBondContact OD1-CB 3.27Å; N730-V732 PolarHBondContact OD1-N 3.37Å; V732-S927 CarbonylContact O-C 3.4Å; V732-S927 WeakPolarHBondContact O-CB 3.16Å; V732-T928 HydrophobicContact CG1-CG2 3.2Å; V732-Y997 HydrophobicContact CG2-CD1 4.26Å; V732-Y997 HydrophobicContact CG2-CD2 3.79Å; V732-Y997 HydrophobicContact CG2-CE2 4.19Å; V732-Y997 HydrophobicContact CG2-CG 3.82Å
733T67.1Low83.2Confident8 Ų832.2 Ų32.25%0.04918%0.181CC..THydrogen-bonded Turntrans-112.8-25.7-176.968.10000112.9N730 N735 T736 E923N730-T733 WeakPolarHBondContact CB-OG1 3.47Å; N730-T733 VanDerWaalsContact ND2-CG2 3.28Å; N730-T733 WeakPolarHBondContact ND2-CG2 3.38Å; N730-T733 PolarHBondContact O-N 3.43Å; N730-T733 PolarHBondContact O-OG1 2.91Å; T733-N735 PolarHBondContact O-N 2.73Å; T733-N735 VanDerWaalsContact O-N 3.12Å; T733-T736 PolarHBondContact OG1-N 3.06Å; T733-T736 PolarHBondContact OG1-OG1 3.03Å; T733-E923 WeakPolarHBondContact CB-OE1 3.32Å; T733-E923 WeakPolarHBondContact CG2-OE1 3.13Å; T733-E923 WeakPolarHBondContact CG2-OE2 3.45Å
734G67.5Low83.4Confident36 Ų3629.3 Ų29.337%0.37117%0.166SC..SBendtrans76.4-19.2-18000000115.7N730N730-G734 WeakPolarHBondContact O-CA 3.47Å; N730-G734 PolarHBondContact O-N 2.91Å
735N71.2Confident83.6Confident143 Ų14328 Ų2877%0.76516%0.157SC*.SBendtrans-115.3-36.4-170.7-67.4-28.7000114.2T733T733-N735 PolarHBondContact O-N 2.73Å; T733-N735 VanDerWaalsContact O-N 3.12Å
736T80.1Confident83.8Confident20 Ų2028 Ų2812%0.12316%0.157CC..SBendtrans-84.6153.4-178.445.60000111.2N333 N730 T733 E923N333-T736 HydrophobicContact CB-CG2 4.2Å; N333-T736 WeakPolarHBondContact OD1-CB 3.41Å; N730-T736 WeakPolarHBondContact CB-O 3.45Å; N730-T736 PolarHBondContact N-O 2.87Å; T733-T736 PolarHBondContact OG1-N 3.06Å; T733-T736 PolarHBondContact OG1-OG1 3.03Å; T736-E923 WeakPolarHBondContact CG2-OE1 3.38Å; T736-E923 PolarHBondContact OG1-OE1 2.78Å
737T87.8Confident84Confident10 Ų1027.1 Ų27.16%0.06115%0.152CC..BIsolated β-bridgetrans-66.5153.6170.2-178.90000109.8P296 A332 N333 P726 C739 F740P296-T737 HydrophobicContact CB-CG2 4.35Å; P296-T737 HydrophobicContact CG-CG2 3.98Å; A332-T737 HydrophobicContact CB-CG2 3.86Å; N333-T737 WeakPolarHBondContact OD1-CG2 3.39Å; N333-T737 PolarHBondContact OD1-N 2.9Å; P726-T737 VanDerWaalsContact CA-OG1 3.25Å; P726-T737 WeakPolarHBondContact CA-OG1 3.43Å; P726-T737 PolarHBondContact O-OG1 2.88Å; T737-C739 HydrophobicContact CG2-CB 4.07Å; T737-C739 PolarHBondContact O-N 3.27Å; T737-C739 PolarHBondContact OG1-N 2.92Å; T737-C739 VanDerWaalsContact OG1-N 3.11Å; T737-F740 WeakPolarHBondContact O-CD1 3.38Å; T737-F740 VanDerWaalsContact O-CE1 3.31Å; T737-F740 WeakPolarHBondContact O-CE1 3.46Å
738A89.3Confident84.4Confident1 Ų121.5 Ų21.51%0.00812%0.122CC..SBendtrans-74.6-10.6167.400000111.9Y710 V715 L725 I728 F740Y710-A738 HydrophobicContact CE2-CB 4.49Å; Y710-A738 VanDerWaalsContact CE2-O 3.25Å; Y710-A738 WeakPolarHBondContact CE2-O 3.36Å; Y710-A738 PolarHBondContact OH-O 3.13Å; V715-A738 HydrophobicContact CG2-CB 4.3Å; L725-A738 HydrophobicContact CD1-CB 4.14Å; I728-A738 HydrophobicContact CB-CB 4.08Å; I728-A738 HydrophobicContact CG2-CB 3.89Å; I728-A738 VanDerWaalsContact O-CB 3.24Å; I728-A738 WeakPolarHBondContact O-CB 3.33Å; I728-A738 PolarHBondContact O-N 2.71Å; A738-F740 VanDerWaalsContact C-N 3.31Å; A738-F740 PolarHBondContact O-N 3.01Å
739C91.9Very high84.8Confident0 Ų021 Ų210%012%0.119CC..  trans-83.167.6178-1650000111.6P296 C305 M307 L725 P726 T737P296-C739 WeakPolarHBondContact CB-O 3.3Å; C305-C739 VanDerWaalsContact CB-SG 3.59Å; C305-C739 VanDerWaalsContact SG-SG 3.63Å; M307-C739 WeakPolarHBondContact CE-O 3.42Å; L725-C739 HydrophobicContact CB-CB 4.33Å; L725-C739 HydrophobicContact CD2-CB 4.1Å; L725-C739 HydrophobicContact CG-CB 3.74Å; P726-C739 HydrophobicContact CB-CB 4.32Å; P726-C739 HydrophobicContact CG-CB 4.07Å; T737-C739 HydrophobicContact CG2-CB 4.07Å; T737-C739 PolarHBondContact O-N 3.27Å; T737-C739 PolarHBondContact OG1-N 2.92Å; T737-C739 VanDerWaalsContact OG1-N 3.11Å
740F88.5Confident85.5Confident2 Ų214.1 Ų14.11%0.0099%0.09CC..SBendtrans-148.4159172.872.4-75.7000110.2P296 I623 Y710 N730 T737 A738 P742 T919 V920P296-F740 HydrophobicContact CG-CB 4.17Å; I623-F740 WeakPolarHBondContact CD1-O 3.47Å; Y710-F740 HydrophobicContact CD2-CE1 4.17Å; Y710-F740 HydrophobicContact CD2-CZ 4.19Å; Y710-F740 HydrophobicContact CE2-CD1 4.45Å; Y710-F740 HydrophobicContact CE2-CE1 4.03Å; Y710-F740 HydrophobicContact CE2-CZ 4.48Å; N730-F740 HydrophobicContact CB-CE1 4.42Å; T737-F740 WeakPolarHBondContact O-CD1 3.38Å; T737-F740 VanDerWaalsContact O-CE1 3.31Å; T737-F740 WeakPolarHBondContact O-CE1 3.46Å; A738-F740 VanDerWaalsContact C-N 3.31Å; A738-F740 PolarHBondContact O-N 3.01Å; F740-P742 HydrophobicContact CE2-CB 4.48Å; F740-P742 HydrophobicContact CE2-CG 4.13Å; F740-T919 HydrophobicContact CE2-CG2 3.62Å; F740-T919 HydrophobicContact CZ-CG2 3.41Å; F740-T919 VanDerWaalsContact CZ-CG2 3.41Å; F740-V920 HydrophobicContact CD2-CG1 3.76Å; F740-V920 HydrophobicContact CE2-CG1 3.47Å; F740-V920 VanDerWaalsContact CE2-CG1 3.47Å; F740-V920 HydrophobicContact CZ-CG1 4.33Å
741E92.2Very high86.6Confident5 Ų514.2 Ų14.22%0.0239%0.09CC..  trans-93.6122173.4-59-174.9172.500109N294 M307 I623 T624 R659N294-E741 HydrophobicContact CB-CB 3.92Å; N294-E741 VanDerWaalsContact CB-O 3.32Å; N294-E741 WeakPolarHBondContact CB-O 3.31Å; N294-E741 PolarHBondContact ND2-O 2.87Å; M307-E741 HydrophobicContact CG-CG 3.95Å; M307-E741 HydrophobicContact SD-CG 4.09Å; I623-E741 HydrophobicContact CB-CG 3.96Å; I623-E741 HydrophobicContact CG2-CG 4.42Å; T624-E741 PolarHBondContact N-OE1 3.18Å; T624-E741 VanDerWaalsContact O-CB 3.25Å; T624-E741 WeakPolarHBondContact O-CB 3.39Å; T624-E741 WeakPolarHBondContact O-CG 3.47Å; T624-E741 VanDerWaalsContact OG1-CD 3.22Å; T624-E741 PolarHBondContact OG1-OE1 3.03Å; T624-E741 PolarHBondContact OG1-OE2 2.84Å; R659-E741 IonicContact CZ-OE1 3.1Å; R659-E741 IonicContact CZ-OE2 3.3Å; R659-E741 IonicContact NE-OE1 2.71Å; R659-E741 PolarHBondContact NE-OE1 3.33Å; R659-E741 IonicContact NE-OE2 3.81Å; R659-E741 PolarHBondContact NE-OE2 2.96Å; R659-E741 IonicContact NH2-OE1 3.69Å; R659-E741 PolarHBondContact NH2-OE1 3.43Å; R659-E741 IonicContact NH2-OE2 2.82Å
742P91.3Very high88Confident6 Ų612.2 Ų12.24%0.0398%0.076CC..  trans-55.9154.7176-29.236.7000114.8V625 T708 Y710 F740 T919V625-P742 HydrophobicContact CG1-CG 3.92Å; V625-P742 WeakPolarHBondContact O-CD 3.24Å; V625-P742 VanDerWaalsContact O-CG 3.3Å; V625-P742 WeakPolarHBondContact O-CG 3.23Å; T708-P742 HydrophobicContact CG2-CB 4.02Å; T708-P742 HydrophobicContact CG2-CG 4.23Å; Y710-P742 HydrophobicContact CD2-CG 4.12Å; F740-P742 HydrophobicContact CE2-CB 4.48Å; F740-P742 HydrophobicContact CE2-CG 4.13Å; P742-T919 CarbonylContact C-O 3.6Å; P742-T919 WeakPolarHBondContact CA-O 3.44Å; P742-T919 HydrophobicContact CB-CG2 4.06Å; P742-T919 VanDerWaalsContact CB-O 3.27Å; P742-T919 WeakPolarHBondContact CB-O 3.42Å; P742-T919 HydrophobicContact CG-CG2 3.98Å
743S91.8Very high89.4Confident4 Ų413.2 Ų13.23%0.0288%0.079CC..BIsolated β-bridgetrans-130.6131.9167.5-73.70000109.1T42 N294 T919 V920 A921T42-S743 VanDerWaalsContact O-CB 3.25Å; T42-S743 WeakPolarHBondContact O-CB 3.41Å; T42-S743 PolarHBondContact O-OG 3.29Å; N294-S743 PolarHBondContact ND2-OG 3.25Å; S743-T919 PolarHBondContact N-O 3.5Å; S743-T919 CarbonylContact O-C 3.58Å; S743-V920 CarbonylContact O-C 3.53Å; S743-A921 WeakPolarHBondContact O-CB 3.42Å; S743-A921 PolarHBondContact O-N 3.09Å
744L93.5Very high90.7Very high4 Ų414.2 Ų14.22%0.0218%0.082CC..  trans-98.4141.9-177.7-51.3-172.8000109.5M44 Y65 A645 T708 Y746M44-L744 HydrophobicContact SD-CB 3.96Å; M44-L744 HydrophobicContact SD-CG 4.07Å; M44-L744 PolarHBondContact SD-N 3.35Å; Y65-L744 VanDerWaalsContact CD2-O 3.27Å; Y65-L744 WeakPolarHBondContact CD2-O 3.32Å; A645-L744 HydrophobicContact CB-CD1 4.37Å; T708-L744 HydrophobicContact CG2-CD2 4.11Å; L744-Y746 HydrophobicContact CB-CE2 4.46Å; L744-Y746 HydrophobicContact CD1-CE2 4.44Å; L744-Y746 HydrophobicContact CD2-CE2 4.15Å; L744-Y746 WeakPolarHBondContact CD2-OH 3.33Å
745D94Very high91.7Very high1 Ų113 Ų131%0.0057%0.067CC..SBendtrans-113.828166.569.1-28000111.6T64 P66 R135 R781 A921T64-D745 WeakPolarHBondContact O-CB 3.23Å; P66-D745 WeakPolarHBondContact CD-O 3.46Å; P66-D745 WeakPolarHBondContact CG-O 3.49Å; R135-D745 IonicContact CZ-OD1 3.85Å; R135-D745 IonicContact CZ-OD2 2.78Å; R135-D745 VanDerWaalsContact CZ-OD2 3.3Å; R135-D745 IonicContact NE-OD1 2.86Å; R135-D745 IonicContact NE-OD2 2.77Å; R135-D745 PolarHBondContact NE-OD2 3.23Å; R135-D745 VanDerWaalsContact NH2-CG 3.29Å; R135-D745 IonicContact NH2-OD1 3.93Å; R135-D745 PolarHBondContact NH2-OD1 3.38Å; R135-D745 IonicContact NH2-OD2 2.88Å; R135-D745 PolarHBondContact NH2-OD2 3Å; R135-D745 VanDerWaalsContact NH2-OD2 3.1Å; D745-R781 VanDerWaalsContact CG-NH1 3.29Å; D745-R781 WeakPolarHBondContact O-CD 3.3Å; D745-R781 PolarHBondContact O-NE 2.74Å; D745-R781 PolarHBondContact O-NH1 2.96Å; D745-R781 IonicContact OD2-NH1 3.89Å; D745-R781 PolarHBondContact OD2-NH1 2.98Å; D745-A921 HydrophobicContact CB-CB 3.78Å
746Y96Very high92.4Very high0 Ų06.3 Ų6.30%03%0.031CC..SBendtrans-149.2164.2176.645.7-90.3000108.3A707 L744 V748 I779 G780 I917 D918 Y932A707-Y746 VanDerWaalsContact O-CE2 3.26Å; A707-Y746 WeakPolarHBondContact O-CE2 3.43Å; A707-Y746 PolarHBondContact O-OH 3.27Å; L744-Y746 HydrophobicContact CB-CE2 4.46Å; L744-Y746 HydrophobicContact CD1-CE2 4.44Å; L744-Y746 HydrophobicContact CD2-CE2 4.15Å; L744-Y746 WeakPolarHBondContact CD2-OH 3.33Å; Y746-V748 HydrophobicContact CD2-CG2 3.77Å; Y746-V748 HydrophobicContact CE2-CG2 3.8Å; Y746-I779 HydrophobicContact CD2-CG2 3.58Å; Y746-I779 HydrophobicContact CE2-CG2 4.32Å; Y746-I779 HydrophobicContact CG-CG2 3.97Å; Y746-G780 WeakPolarHBondContact CB-O 3.45Å; Y746-I917 HydrophobicContact CD1-CD1 4.36Å; Y746-I917 HydrophobicContact CD2-CD1 4.14Å; Y746-I917 HydrophobicContact CE1-CD1 3.85Å; Y746-I917 HydrophobicContact CE2-CD1 3.54Å; Y746-I917 WeakPolarHBondContact OH-CG2 3.46Å; Y746-D918 PolarHBondContact OH-O 2.74Å; Y746-Y932 HydrophobicContact CD1-CE1 4.42Å
747C96Very high92.3Very high0 Ų09.1 Ų9.10%06%0.056CC..EExtended strand (participates in β ladder)trans-103.3130.4176-177.60000109L67 G780L67-C747 HydrophobicContact CD1-CB 4.43Å; C747-G780 PolarHBondContact N-O 2.93Å; C747-G780 PolarHBondContact O-N 2.91Å
748V97.9Very high91.9Very high2 Ų211 Ų111%0.0126%0.063CC..EExtended strand (participates in β ladder)trans-109.4131.3174.6178.20000108.8V644 A645 L703 A707 Y746 M777 A778 I779V644-V748 WeakPolarHBondContact CA-O 3.49Å; A645-V748 HydrophobicContact CB-CB 4.29Å; A645-V748 PolarHBondContact N-O 3.44Å; A645-V748 PolarHBondContact O-N 3.49Å; L703-V748 HydrophobicContact CD1-CG1 4.41Å; A707-V748 HydrophobicContact CB-CB 4.3Å; A707-V748 HydrophobicContact CB-CG1 4.05Å; A707-V748 HydrophobicContact CB-CG2 4.01Å; Y746-V748 HydrophobicContact CD2-CG2 3.77Å; Y746-V748 HydrophobicContact CE2-CG2 3.8Å; V748-M777 HydrophobicContact CG1-CE 3.63Å; V748-M777 HydrophobicContact CG1-CG 3.42Å; V748-M777 VanDerWaalsContact CG1-CG 3.42Å; V748-M777 HydrophobicContact CG1-SD 3.9Å; V748-M777 HydrophobicContact CG2-CE 4.02Å; V748-A778 WeakPolarHBondContact CA-O 3.37Å; V748-I779 HydrophobicContact CG2-CG1 4.4Å; V748-I779 HydrophobicContact CG2-CG2 4.5Å
749V98.4Very high91.5Very high0 Ų012 Ų120%07%0.067CC..EExtended strand (participates in β ladder)trans-121.1122.7175.1177.20000109.5I642 V643 V644 I751 A778 F783 A786 F787 A790I642-V749 HydrophobicContact CG2-CG1 3.91Å; V643-V749 WeakPolarHBondContact O-CA 3.44Å; V644-V749 HydrophobicContact CG1-CG2 4.49Å; V644-V749 HydrophobicContact CG2-CG2 4.39Å; V749-I751 HydrophobicContact CG1-CD1 4.46Å; V749-I751 HydrophobicContact CG1-CG1 4.07Å; V749-A778 PolarHBondContact N-O 3.24Å; V749-A778 PolarHBondContact O-N 2.91Å; V749-F783 HydrophobicContact CG2-CD2 4.02Å; V749-F783 HydrophobicContact CG2-CE2 4.03Å; V749-A786 HydrophobicContact CB-CB 4.15Å; V749-A786 HydrophobicContact CG2-CB 3.63Å; V749-F787 HydrophobicContact CG1-CD2 4.13Å; V749-A790 HydrophobicContact CB-CB 4.43Å; V749-A790 HydrophobicContact CG1-CB 4.06Å
750K97.1Very high90.5Very high3 Ų318.1 Ų18.11%0.01311%0.105CC..EExtended strand (participates in β ladder)trans-98.1133.2170.1-179.3-91.4-89.7178.10110.4T638 S641 I642 V643 L703 P752 E775 V776T638-K750 PolarHBondContact O-NZ 3.44Å; S641-K750 PolarHBondContact O-NZ 3.31Å; I642-K750 VanDerWaalsContact CA-O 3.3Å; I642-K750 WeakPolarHBondContact CA-O 3.4Å; I642-K750 WeakPolarHBondContact CG2-O 3.33Å; V643-K750 HydrophobicContact CB-CB 4.27Å; V643-K750 HydrophobicContact CG2-CD 4.5Å; V643-K750 PolarHBondContact N-O 3.37Å; V643-K750 PolarHBondContact O-N 2.8Å; L703-K750 HydrophobicContact CD1-CB 3.89Å; L703-K750 HydrophobicContact CD1-CG 4.23Å; L703-K750 HydrophobicContact CD2-CB 3.68Å; L703-K750 HydrophobicContact CD2-CG 4.02Å; L703-K750 HydrophobicContact CG-CB 4.45Å; K750-P752 HydrophobicContact CD-CG 4.37Å; K750-E775 HydrophobicContact CD-CB 4.05Å; K750-E775 VanDerWaalsContact CD-OE2 3.24Å; K750-E775 WeakPolarHBondContact CD-OE2 3.5Å; K750-E775 WeakPolarHBondContact CE-OE2 2.88Å; K750-E775 HydrophobicContact CG-CB 4.09Å; K750-E775 HydrophobicContact CG-CG 4.34Å; K750-E775 WeakPolarHBondContact CG-OE2 3.37Å; K750-E775 IonicContact NZ-OE2 2.66Å; K750-V776 WeakPolarHBondContact CA-O 3.34Å
751I97.5Very high89.9Confident4 Ų423.3 Ų23.32%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-126.9129.1170.2-55.7-175.6000109.7I642 V749 W754 E775 V776 F787 A790 L791 V794I642-I751 HydrophobicContact CD1-CD1 4.08Å; I642-I751 HydrophobicContact CD1-CG1 4.11Å; I642-I751 HydrophobicContact CD1-CG2 4.37Å; I642-I751 HydrophobicContact CG1-CB 4.44Å; I642-I751 HydrophobicContact CG1-CD1 4.48Å; I642-I751 HydrophobicContact CG1-CG1 3.97Å; I642-I751 HydrophobicContact CG1-CG2 4.11Å; I642-I751 HydrophobicContact CG2-CG1 4.09Å; V749-I751 HydrophobicContact CG1-CD1 4.46Å; V749-I751 HydrophobicContact CG1-CG1 4.07Å; I751-W754 HydrophobicContact CG2-CZ3 4.48Å; I751-E775 WeakPolarHBondContact O-CA 3.4Å; I751-V776 HydrophobicContact CB-CG2 4.14Å; I751-V776 PolarHBondContact N-O 2.88Å; I751-V776 VanDerWaalsContact N-O 3.08Å; I751-V776 PolarHBondContact O-N 3Å; I751-F787 HydrophobicContact CD1-CE2 4.46Å; I751-A790 HydrophobicContact CB-CB 4.46Å; I751-A790 HydrophobicContact CD1-CB 3.48Å; I751-A790 VanDerWaalsContact CD1-CB 3.48Å; I751-A790 HydrophobicContact CG1-CB 3.69Å; I751-L791 HydrophobicContact CD1-CD2 3.72Å; I751-L791 HydrophobicContact CD1-CG 3.94Å; I751-V794 HydrophobicContact CB-CG2 3.68Å; I751-V794 HydrophobicContact CG2-CG2 3.57Å
752P95.4Very high89.5Confident0 Ų023.6 Ų23.60%013%0.126CC..EExtended strand (participates in β ladder)trans-68.6153.9174.4-14.928.8000112.7G639 S641 K750 W754G639-P752 WeakPolarHBondContact O-CG 3.14Å; S641-P752 WeakPolarHBondContact O-CD 3.46Å; S641-P752 WeakPolarHBondContact O-CG 3.11Å; K750-P752 HydrophobicContact CD-CG 4.37Å; P752-W754 HydrophobicContact CB-CH2 3.82Å; P752-W754 HydrophobicContact CB-CZ2 3.69Å; P752-W754 HydrophobicContact CB-CZ3 4.32Å; P752-W754 HydrophobicContact CG-CH2 3.87Å; P752-W754 HydrophobicContact CG-CZ2 3.88Å; P752-W754 WeakPolarHBondContact O-CZ3 3.23Å
753R93.9Very high89.2Confident28 Ų2825.7 Ų25.711%0.10614%0.141CC..EExtended strand (participates in β ladder)trans-104.8131.1172.8175.365.3-170.1-159.17.4110.6D755 S772 V773 G774 V794 D795 V956 R958R753-D755 IonicContact CZ-OD1 3.61Å; R753-D755 IonicContact NE-OD1 3.73Å; R753-D755 PolarHBondContact NE-OD1 3.14Å; R753-D755 IonicContact NH2-OD1 2.74Å; R753-D755 PolarHBondContact NH2-OD1 3.09Å; R753-S772 CarbonylContact O-C 3.4Å; R753-S772 VanDerWaalsContact O-CA 3.27Å; R753-S772 WeakPolarHBondContact O-CA 3.47Å; R753-V773 HydrophobicContact CB-CG2 4.47Å; R753-V773 HydrophobicContact CG-CG2 4.03Å; R753-V773 WeakPolarHBondContact O-CG2 3.26Å; R753-V773 PolarHBondContact O-N 2.86Å; R753-G774 PolarHBondContact N-O 2.81Å; R753-V794 PolarHBondContact NH1-O 3.01Å; R753-D795 IonicContact NH1-OD1 2.98Å; R753-D795 IonicContact NH1-OD2 3.79Å; R753-V956 HydrophobicContact CB-CG2 3.55Å; R753-V956 HydrophobicContact CG-CG1 4.37Å; R753-V956 HydrophobicContact CG-CG2 3.97Å; R753-R958 HydrophobicContact CG-CB 4.41Å
754W92.7Very high89Confident30 Ų3031.1 Ų31.111%0.11416%0.164CC..  trans-119.9136175.6-60.4-84.5000111.5E640 I751 P752 L756 I766 D822E640-W754 HydrophobicContact CB-CZ2 4.45Å; E640-W754 WeakPolarHBondContact O-CZ2 3.3Å; E640-W754 PolarHBondContact OE2-NE1 3.01Å; I751-W754 HydrophobicContact CG2-CZ3 4.48Å; P752-W754 HydrophobicContact CB-CH2 3.82Å; P752-W754 HydrophobicContact CB-CZ2 3.69Å; P752-W754 HydrophobicContact CB-CZ3 4.32Å; P752-W754 HydrophobicContact CG-CH2 3.87Å; P752-W754 HydrophobicContact CG-CZ2 3.88Å; P752-W754 WeakPolarHBondContact O-CZ3 3.23Å; W754-L756 HydrophobicContact CB-CD1 4.49Å; W754-L756 HydrophobicContact CB-CG 4.18Å; W754-I766 HydrophobicContact CZ2-CG2 4.24Å; W754-D822 HydrophobicContact CB-CB 3.96Å; W754-D822 HydrophobicContact CD2-CB 3.91Å; W754-D822 HydrophobicContact CE3-CB 3.98Å; W754-D822 HydrophobicContact CG-CB 3.93Å
755D88.6Confident88.8Confident10 Ų1034.9 Ų34.95%0.05318%0.181CC..  trans-114.633.8174.3-80.1-2000111.6R753 A757 K758 I959R753-D755 IonicContact CZ-OD1 3.61Å; R753-D755 IonicContact NE-OD1 3.73Å; R753-D755 PolarHBondContact NE-OD1 3.14Å; R753-D755 IonicContact NH2-OD1 2.74Å; R753-D755 PolarHBondContact NH2-OD1 3.09Å; D755-A757 PolarHBondContact O-N 2.74Å; D755-K758 HydrophobicContact CB-CD 4.35Å; D755-K758 HydrophobicContact CB-CG 4.47Å; D755-K758 WeakPolarHBondContact O-CB 3.27Å; D755-K758 PolarHBondContact O-N 2.83Å; D755-I959 HydrophobicContact CB-CD1 3.96Å; D755-I959 HydrophobicContact CB-CG1 4.19Å; D755-I959 WeakPolarHBondContact OD2-CB 3.39Å; D755-I959 PolarHBondContact OD2-N 2.77Å
756L86.1Confident88.6Confident3 Ų335.3 Ų35.32%0.01618%0.184CC..G310 helixtrans-62.3-27.4-176.6-58.6179.4000113W754 K758 F759 V762 K771 D822 L1285W754-L756 HydrophobicContact CB-CD1 4.49Å; W754-L756 HydrophobicContact CB-CG 4.18Å; L756-K758 PolarHBondContact O-N 3.36Å; L756-K758 VanDerWaalsContact O-N 3.16Å; L756-F759 PolarHBondContact O-N 3.23Å; L756-V762 HydrophobicContact CD2-CG1 3.9Å; L756-K771 HydrophobicContact CD1-CD 4.36Å; L756-K771 HydrophobicContact CD2-CB 4.18Å; L756-K771 HydrophobicContact CD2-CD 4.2Å; L756-D822 HydrophobicContact CD1-CB 4.35Å; L756-L1285 HydrophobicContact CD2-CD2 3.78Å
757A79.1Confident88.2Confident78 Ų7836.3 Ų36.365%0.64519%0.194SC*.G310 helixtrans-60.1-23.5178.500000113.8D755 F759D755-A757 PolarHBondContact O-N 2.74Å; A757-F759 PolarHBondContact O-N 2.98Å
758K78.3Confident87.6Confident50 Ų5036.9 Ų36.922%0.21720%0.198CC..G310 helixtrans-69.8-17.4175.7-59.8-166.6174.7-167.20113.1D755 L756 I959 E1295D755-K758 HydrophobicContact CB-CD 4.35Å; D755-K758 HydrophobicContact CB-CG 4.47Å; D755-K758 WeakPolarHBondContact O-CB 3.27Å; D755-K758 PolarHBondContact O-N 2.83Å; L756-K758 PolarHBondContact O-N 3.36Å; L756-K758 VanDerWaalsContact O-N 3.16Å; K758-I959 HydrophobicContact CD-CB 4.17Å; K758-I959 HydrophobicContact CD-CD1 4.34Å; K758-I959 HydrophobicContact CD-CG2 4.11Å; K758-I959 PolarHBondContact NZ-O 2.93Å; K758-E1295 WeakPolarHBondContact CG-OE1 3.41Å
759F82.3Confident86.9Confident21 Ų2138.1 Ų38.19%0.09221%0.207CC..  trans-119.795.1-173.4-52.6-82.4000111L756 A757 R761 V762 I959 F1282 L1285 A1288 A1297L756-F759 PolarHBondContact O-N 3.23Å; A757-F759 PolarHBondContact O-N 2.98Å; F759-R761 PolarHBondContact O-N 3.42Å; F759-V762 HydrophobicContact CB-CB 3.8Å; F759-V762 HydrophobicContact CB-CG2 3.32Å; F759-V762 HydrophobicContact CG-CG2 4.06Å; F759-V762 PolarHBondContact O-N 2.91Å; F759-I959 HydrophobicContact CE2-CD1 3.74Å; F759-I959 HydrophobicContact CZ-CD1 3.84Å; F759-F1282 HydrophobicContact CE1-CE1 4.2Å; F759-L1285 HydrophobicContact CD2-CD1 3.89Å; F759-L1285 HydrophobicContact CE1-CD1 4.12Å; F759-L1285 HydrophobicContact CE2-CD1 3.44Å; F759-L1285 VanDerWaalsContact CE2-CD1 3.44Å; F759-L1285 HydrophobicContact CG-CD1 4.4Å; F759-L1285 HydrophobicContact CZ-CD1 3.57Å; F759-A1288 HydrophobicContact CD1-CB 3.92Å; F759-A1288 HydrophobicContact CG-CB 4.43Å; F759-A1297 HydrophobicContact CE1-CB 4.1Å; F759-A1297 HydrophobicContact CZ-CB 4.35Å
760V70.1Confident86.4Confident129 Ų12938.7 Ų38.778%0.78221%0.209SC*.THydrogen-bonded Turntrans-50-30.6-173.1-1780000114.9
761R75.8Confident86.1Confident111 Ų11139.9 Ų39.942%0.41922%0.215SC..THydrogen-bonded Turntrans-104.5-1.1-175-69.8-179.5-177.6-177.40.9114.2F759 G1287 Y1428F759-R761 PolarHBondContact O-N 3.42Å; R761-G1287 WeakPolarHBondContact CB-O 3.33Å; R761-Y1428 VanDerWaalsContact NH1-CE2 3.3Å; R761-Y1428 VanDerWaalsContact NH1-CZ 3.3Å
762V84.8Confident85.8Confident11 Ų1139.7 Ų39.77%0.06721%0.214CC..SBendtrans-82.9132.9-179.1176.50000109.4L756 F759 K764 L1285 A1286 A1288L756-V762 HydrophobicContact CD2-CG1 3.9Å; F759-V762 HydrophobicContact CB-CB 3.8Å; F759-V762 HydrophobicContact CB-CG2 3.32Å; F759-V762 HydrophobicContact CG-CG2 4.06Å; F759-V762 PolarHBondContact O-N 2.91Å; V762-K764 PolarHBondContact O-N 3.41Å; V762-L1285 HydrophobicContact CG1-CB 4.36Å; V762-L1285 HydrophobicContact CG1-CD2 4.18Å; V762-L1285 HydrophobicContact CG2-CB 3.92Å; V762-A1286 WeakPolarHBondContact CA-O 3.24Å; V762-A1288 HydrophobicContact CG2-CB 3.69Å
763S83.6Confident85.6Confident51 Ų5140.8 Ų40.836%0.35722%0.22SC..  trans-62.7128.5175.5167.30000111H765 K771S763-H765 VanDerWaalsContact C-N 3.26Å; S763-H765 PolarHBondContact OG-CD2 3.43Å; S763-H765 VanDerWaalsContact OG-CD2 3.29Å; S763-H765 PolarHBondContact OG-N 3.1Å; S763-K771 PolarHBondContact O-NZ 3.14Å
764K88Confident85.5Confident117 Ų11739.4 Ų39.451%0.50922%0.215SC..  trans-77.4-8.7174.6-64.4-176.3-176.9179.40113.7V762 T821 D822V762-K764 PolarHBondContact O-N 3.41Å; K764-T821 HydrophobicContact CB-CG2 4.41Å; K764-T821 WeakPolarHBondContact O-CA 3.29Å; K764-T821 WeakPolarHBondContact O-CB 3.39Å; K764-D822 PolarHBondContact O-N 2.83Å
765H89.3Confident85.6Confident83 Ų8338 Ų3838%0.38421%0.21SC..BIsolated β-bridgetrans-66.8134.2177.7-62.4-76.3000110.8S763 K771 E819 P820S763-H765 VanDerWaalsContact C-N 3.26Å; S763-H765 PolarHBondContact OG-CD2 3.43Å; S763-H765 VanDerWaalsContact OG-CD2 3.29Å; S763-H765 PolarHBondContact OG-N 3.1Å; H765-K771 PolarHBondContact O-NZ 2.95Å; H765-E819 IonicContact CE1-OE2 3.35Å; H765-E819 PolarHBondContact CE1-OE2 2.87Å; H765-E819 IonicContact ND1-OE2 2.81Å; H765-E819 IonicContact NE2-OE2 3.64Å; H765-P820 VanDerWaalsContact CA-O 3.3Å; H765-P820 WeakPolarHBondContact CA-O 3.42Å
766I89.7Confident86Confident11 Ų1137.5 Ų37.56%0.05621%0.207CC..  trans-100.1146172.358.8174.1000108.8I636 W754 P820I636-I766 HydrophobicContact CD1-CD1 4.21Å; I636-I766 HydrophobicContact CD1-CG1 4.4Å; I636-I766 HydrophobicContact CG1-CG1 4.38Å; I636-I766 HydrophobicContact CG2-CD1 4.28Å; W754-I766 HydrophobicContact CZ2-CG2 4.24Å; I766-P820 HydrophobicContact CD1-CB 4.17Å; I766-P820 HydrophobicContact CG1-CB 3.78Å; I766-P820 HydrophobicContact CG1-CG 4.21Å; I766-P820 PolarHBondContact N-O 3.41Å
767G87.4Confident86.5Confident21 Ų2137.4 Ų37.422%0.21621%0.206CC..  trans-166.2-148.7-173.200000111.2G635 H637 S769G635-G767 CarbonylContact O-C 3.54Å; G635-G767 WeakPolarHBondContact O-CA 3Å; H637-G767 PolarHBondContact N-O 3.2Å; G767-S769 PolarHBondContact O-N 3.42Å; G767-S769 VanDerWaalsContact O-N 3.16Å
768S84.8Confident87.4Confident12 Ų1233.7 Ų33.78%0.08418%0.176CC..SBendtrans-71.3-6-175.661.20000115.7M563 S575 G576 G635 H637M563-S768 VanDerWaalsContact CE-CB 3.48Å; S575-S768 WeakPolarHBondContact CB-OG 3.41Å; S575-S768 PolarHBondContact O-OG 2.91Å; S575-S768 VanDerWaalsContact OG-C 3.28Å; S575-S768 WeakPolarHBondContact OG-CB 3.38Å; S575-S768 PolarHBondContact OG-O 2.96Å; S575-S768 PolarHBondContact OG-OG 3.12Å; G576-S768 PolarHBondContact N-OG 2.77Å; G635-S768 PolarHBondContact O-N 3.35Å; H637-S768 PolarHBondContact CD2-O 2.89Å
769S83.2Confident88.3Confident27 Ų2731.3 Ų31.319%0.18917%0.165CC..SBendtrans-115.1132.4-179.4-156.80000110.7G572 G767G572-S769 WeakPolarHBondContact O-CB 3.39Å; G572-S769 PolarHBondContact O-OG 3.48Å; G767-S769 PolarHBondContact O-N 3.42Å; G767-S769 VanDerWaalsContact O-N 3.16Å
770M86Confident89Confident12 Ų1230.3 Ų30.36%0.05916%0.161CC..  trans-69.4136.3-179.4-66.3178.567.400112.6I416 G571 H637 E640I416-M770 HydrophobicContact CG2-CB 4.29Å; I416-M770 VanDerWaalsContact CG2-O 3.3Å; I416-M770 WeakPolarHBondContact CG2-O 3.36Å; G571-M770 PolarHBondContact O-N 2.89Å; H637-M770 HydrophobicContact CB-CG 4.39Å; H637-M770 WeakPolarHBondContact CE1-CG 3.38Å; H637-M770 PolarHBondContact CE1-SD 3.12Å; H637-M770 VanDerWaalsContact ND1-CG 3.28Å; H637-M770 WeakPolarHBondContact ND1-CG 3.41Å; E640-M770 WeakPolarHBondContact OE1-CA 3.42Å
771K91.1Very high90.2Very high29 Ų2924.6 Ų24.613%0.12613%0.126CC..  trans-130.6-9.2172.3-64.2178.7-176.6171.90112.5E640 L756 S763 H765E640-K771 PolarHBondContact OE1-N 2.61Å; E640-K771 PolarHBondContact OE2-N 3.1Å; L756-K771 HydrophobicContact CD1-CD 4.36Å; L756-K771 HydrophobicContact CD2-CB 4.18Å; L756-K771 HydrophobicContact CD2-CD 4.2Å; S763-K771 PolarHBondContact O-NZ 3.14Å; H765-K771 PolarHBondContact O-NZ 2.95Å
772S92.6Very high91Very high0 Ų019.6 Ų19.60%011%0.107CC..  trans-67.1138.1178.565.10000111.4G639 E640 R699 R753G639-S772 PolarHBondContact O-OG 3.28Å; E640-S772 VanDerWaalsContact OE1-CB 3.25Å; E640-S772 WeakPolarHBondContact OE1-CB 3.42Å; E640-S772 PolarHBondContact OE1-N 3.17Å; E640-S772 PolarHBondContact OE1-OG 2.83Å; E640-S772 VanDerWaalsContact OE1-OG 3.13Å; R699-S772 PolarHBondContact NH1-OG 2.9Å; R753-S772 CarbonylContact O-C 3.4Å; R753-S772 VanDerWaalsContact O-CA 3.27Å; R753-S772 WeakPolarHBondContact O-CA 3.47Å
773V90.5Very high91.6Very high22 Ų2219 Ų1913%0.13310%0.104CC..  trans-97.4-16.2-177.6-66.30000113I416 R753 I959 T1299I416-V773 HydrophobicContact CD1-CG1 4.08Å; I416-V773 HydrophobicContact CG1-CG1 4Å; R753-V773 HydrophobicContact CB-CG2 4.47Å; R753-V773 HydrophobicContact CG-CG2 4.03Å; R753-V773 WeakPolarHBondContact O-CG2 3.26Å; R753-V773 PolarHBondContact O-N 2.86Å; V773-I959 HydrophobicContact CG1-CG1 4.32Å; V773-T1299 HydrophobicContact CG1-CG2 4.36Å
774G91.8Very high92.3Very high0 Ų016.6 Ų16.60%09%0.087CC..EExtended strand (participates in β ladder)trans-173.8-170.7178.500000110.8R753 E991R753-G774 PolarHBondContact N-O 2.81Å; G774-E991 WeakPolarHBondContact CA-OE2 3.12Å
775E94.1Very high92.8Very high0 Ų011 Ų110%06%0.063CC..EExtended strand (participates in β ladder)trans-150.3164.9178.363.5-175.2-168.900113.5R699 K750 I751 N989 P990 E991R699-E775 WeakPolarHBondContact CD-OE2 3.38Å; R699-E775 VanDerWaalsContact CG-CD 3.43Å; R699-E775 WeakPolarHBondContact CG-OE1 3.31Å; R699-E775 WeakPolarHBondContact CG-OE2 3.2Å; K750-E775 HydrophobicContact CD-CB 4.05Å; K750-E775 VanDerWaalsContact CD-OE2 3.24Å; K750-E775 WeakPolarHBondContact CD-OE2 3.5Å; K750-E775 WeakPolarHBondContact CE-OE2 2.88Å; K750-E775 HydrophobicContact CG-CB 4.09Å; K750-E775 HydrophobicContact CG-CG 4.34Å; K750-E775 WeakPolarHBondContact CG-OE2 3.37Å; K750-E775 IonicContact NZ-OE2 2.66Å; I751-E775 WeakPolarHBondContact O-CA 3.4Å; E775-N989 PolarHBondContact O-OD1 2.81Å; E775-P990 HydrophobicContact CG-CG 3.9Å; E775-E991 HydrophobicContact CG-CG 3.94Å; E775-E991 PolarHBondContact N-OE2 2.83Å
776V96.9Very high93.2Very high0 Ų07.1 Ų7.10%04%0.044CC..EExtended strand (participates in β ladder)trans-122.5151.6173.6-53.40000110.2K750 I751 A790 M793 V794 V956 Y988K750-V776 WeakPolarHBondContact CA-O 3.34Å; I751-V776 HydrophobicContact CB-CG2 4.14Å; I751-V776 PolarHBondContact N-O 2.88Å; I751-V776 VanDerWaalsContact N-O 3.08Å; I751-V776 PolarHBondContact O-N 3Å; V776-A790 HydrophobicContact CG2-CB 4.24Å; V776-A790 WeakPolarHBondContact CG2-O 3.41Å; V776-M793 HydrophobicContact CB-CB 3.89Å; V776-M793 HydrophobicContact CG1-CB 3.98Å; V776-M793 HydrophobicContact CG2-CB 3.94Å; V776-V794 HydrophobicContact CG1-CG2 4.17Å; V776-V794 HydrophobicContact CG2-CG2 3.52Å; V776-V956 HydrophobicContact CG1-CB 3.55Å; V776-V956 HydrophobicContact CG1-CG1 4.49Å; V776-V956 HydrophobicContact CG1-CG2 3.49Å; V776-V956 VanDerWaalsContact CG1-CG2 3.49Å; V776-Y988 HydrophobicContact CB-CD2 3.96Å; V776-Y988 HydrophobicContact CB-CE2 4.33Å; V776-Y988 HydrophobicContact CG1-CD2 3.78Å; V776-Y988 HydrophobicContact CG1-CE2 3.66Å
777M96.6Very high93.6Very high0 Ų06.6 Ų6.60%04%0.042CC..EExtended strand (participates in β ladder)trans-124.3124.2173.2-179.9-174.4143.900109L703 K706 A707 V748 I779 Y988 P990L703-M777 HydrophobicContact CD1-CB 4.07Å; L703-M777 HydrophobicContact CD1-CG 3.79Å; L703-M777 HydrophobicContact CD1-SD 3.74Å; K706-M777 HydrophobicContact CB-CE 4.28Å; K706-M777 HydrophobicContact CB-SD 3.72Å; A707-M777 VanDerWaalsContact CA-CE 3.48Å; A707-M777 HydrophobicContact CB-CE 4.1Å; A707-M777 HydrophobicContact CB-SD 4.38Å; V748-M777 HydrophobicContact CG1-CE 3.63Å; V748-M777 HydrophobicContact CG1-CG 3.42Å; V748-M777 VanDerWaalsContact CG1-CG 3.42Å; V748-M777 HydrophobicContact CG1-SD 3.9Å; V748-M777 HydrophobicContact CG2-CE 4.02Å; M777-I779 HydrophobicContact CE-CD1 3.5Å; M777-I779 VanDerWaalsContact CE-CD1 3.5Å; M777-I779 HydrophobicContact CE-CG1 3.68Å; M777-Y988 PolarHBondContact N-O 2.89Å; M777-P990 HydrophobicContact CB-CB 4.13Å; M777-P990 HydrophobicContact CB-CG 3.9Å; M777-P990 HydrophobicContact SD-CB 4.25Å
778A97.8Very high94.1Very high0 Ų05.6 Ų5.60%03%0.031CC..EExtended strand (participates in β ladder)trans-116.2147.5173.800000111V748 V749 A786 K789 A790 M793V748-A778 WeakPolarHBondContact CA-O 3.37Å; V749-A778 PolarHBondContact N-O 3.24Å; V749-A778 PolarHBondContact O-N 2.91Å; A778-A786 WeakPolarHBondContact CB-O 3.14Å; A778-K789 HydrophobicContact CB-CB 3.73Å; A778-A790 HydrophobicContact CB-CB 3.72Å; A778-M793 HydrophobicContact CB-CE 4.25Å; A778-M793 HydrophobicContact CB-SD 3.74Å
779I97.8Very high94.7Very high0 Ų05.6 Ų5.60%03%0.03CC..EExtended strand (participates in β ladder)trans-122.1135.6-177.7-45.1-178000109Y746 V748 M777 K789 I917 Y932 F1005Y746-I779 HydrophobicContact CD2-CG2 3.58Å; Y746-I779 HydrophobicContact CE2-CG2 4.32Å; Y746-I779 HydrophobicContact CG-CG2 3.97Å; V748-I779 HydrophobicContact CG2-CG1 4.4Å; V748-I779 HydrophobicContact CG2-CG2 4.5Å; M777-I779 HydrophobicContact CE-CD1 3.5Å; M777-I779 VanDerWaalsContact CE-CD1 3.5Å; M777-I779 HydrophobicContact CE-CG1 3.68Å; I779-K789 PolarHBondContact O-NZ 2.89Å; I779-I917 HydrophobicContact CD1-CD1 3.61Å; I779-I917 HydrophobicContact CD1-CG1 4.34Å; I779-I917 HydrophobicContact CG2-CD1 4.27Å; I779-Y932 HydrophobicContact CB-CD1 4.36Å; I779-Y932 HydrophobicContact CB-CD2 4.1Å; I779-Y932 HydrophobicContact CB-CG 3.91Å; I779-Y932 HydrophobicContact CG2-CD1 3.8Å; I779-Y932 HydrophobicContact CG2-CD2 3.83Å; I779-Y932 HydrophobicContact CG2-CE1 3.95Å; I779-Y932 HydrophobicContact CG2-CE2 3.99Å; I779-Y932 HydrophobicContact CG2-CG 3.73Å; I779-F1005 HydrophobicContact CD1-CB 4.09Å
780G96.6Very high95.4Very high0 Ų04.3 Ų4.30%02%0.021CC..EExtended strand (participates in β ladder)trans-152.4165.1176.200000111.1Y746 C747 N782 E785Y746-G780 WeakPolarHBondContact CB-O 3.45Å; C747-G780 PolarHBondContact N-O 2.93Å; C747-G780 PolarHBondContact O-N 2.91Å; G780-N782 VanDerWaalsContact C-N 3.34Å; G780-E785 WeakPolarHBondContact CA-OE2 3.46Å
781R95Very high96Very high10 Ų104 Ų44%0.0382%0.02CC..SBendtrans-87.4-9.2176.1-69.2-75.1-61.5-166.3-2.5112.6P66 T134 D745 E785 Y932 T934 N936P66-R781 WeakPolarHBondContact CB-O 3.33Å; P66-R781 WeakPolarHBondContact CG-O 3.32Å; T134-R781 PolarHBondContact OG1-NH2 2.81Å; D745-R781 VanDerWaalsContact CG-NH1 3.29Å; D745-R781 WeakPolarHBondContact O-CD 3.3Å; D745-R781 PolarHBondContact O-NE 2.74Å; D745-R781 PolarHBondContact O-NH1 2.96Å; D745-R781 IonicContact OD2-NH1 3.89Å; D745-R781 PolarHBondContact OD2-NH1 2.98Å; R781-E785 PolarHBondContact N-OE2 2.88Å; R781-Y932 WeakPolarHBondContact CD-OH 3.45Å; R781-Y932 HydrophobicContact CG-CE2 4.41Å; R781-T934 HydrophobicContact CG-CG2 3.97Å; R781-N936 HydrophobicContact CB-CB 3.57Å; R781-N936 HydrophobicContact CG-CB 4.07Å
782N94.5Very high96.2Very high5 Ų53.6 Ų3.63%0.0272%0.017CC..SBendtrans-135.5168.5166.763.931.6000110L67 E103 G780 E785 A786 R882 N936L67-N782 HydrophobicContact CD2-CB 4.33Å; E103-N782 WeakPolarHBondContact OE2-CB 3.21Å; G780-N782 VanDerWaalsContact C-N 3.34Å; N782-E785 WeakPolarHBondContact OD1-CA 3.39Å; N782-E785 WeakPolarHBondContact OD1-CB 3.49Å; N782-E785 PolarHBondContact OD1-N 2.77Å; N782-A786 PolarHBondContact O-N 3.4Å; N782-R882 PolarHBondContact ND2-O 2.89Å; N782-R882 PolarHBondContact OD1-O 2.78Å; N782-N936 PolarHBondContact ND2-ND2 2.87Å
783F97Very high96.4Very high0 Ų03.7 Ų3.70%02%0.017CC..Hα-helixtrans-69.5-41.9-176.5173.2-96.6000111.8L67 F631 V644 V749 E785 A786 F787 W850 F851 K854 L855L67-F783 HydrophobicContact CD1-CB 4.42Å; F631-F783 HydrophobicContact CD2-CZ 4.49Å; V644-F783 HydrophobicContact CG1-CD2 4.37Å; V644-F783 HydrophobicContact CG2-CD2 4.39Å; V644-F783 HydrophobicContact CG2-CE2 3.85Å; V749-F783 HydrophobicContact CG2-CD2 4.02Å; V749-F783 HydrophobicContact CG2-CE2 4.03Å; F783-E785 VanDerWaalsContact C-N 3.31Å; F783-E785 PolarHBondContact O-N 2.83Å; F783-A786 PolarHBondContact O-N 3.42Å; F783-F787 HydrophobicContact CD1-CB 4.44Å; F783-F787 HydrophobicContact CE1-CB 4.13Å; F783-F787 HydrophobicContact CE1-CD2 4.26Å; F783-F787 HydrophobicContact CE1-CG 4.17Å; F783-F787 HydrophobicContact CE2-CB 4.38Å; F783-F787 HydrophobicContact CE2-CD2 4.19Å; F783-F787 HydrophobicContact CZ-CB 4.1Å; F783-F787 AromaticContact CZ-CD2 3.64Å; F783-F787 HydrophobicContact CZ-CD2 3.64Å; F783-F787 HydrophobicContact CZ-CE2 4.3Å; F783-F787 AromaticContact CZ-CG 4Å; F783-F787 HydrophobicContact CZ-CG 4Å; F783-F787 WeakPolarHBondContact O-CB 3.32Å; F783-F787 PolarHBondContact O-N 2.91Å; F783-W850 HydrophobicContact CB-CH2 3.88Å; F783-W850 HydrophobicContact CB-CZ3 4.41Å; F783-W850 HydrophobicContact CD2-CH2 4.42Å; F783-W850 HydrophobicContact CD2-CZ3 4.22Å; F783-W850 HydrophobicContact CG-CH2 4.11Å; F783-W850 HydrophobicContact CG-CZ3 4.14Å; F783-F851 HydrophobicContact CE1-CD1 4.41Å; F783-F851 AromaticContact CE2-CD1 3.89Å; F783-F851 HydrophobicContact CE2-CD1 3.89Å; F783-F851 HydrophobicContact CE2-CE1 4.01Å; F783-F851 AromaticContact CZ-CD1 3.8Å; F783-F851 HydrophobicContact CZ-CD1 3.8Å; F783-F851 HydrophobicContact CZ-CE1 4.38Å; F783-K854 HydrophobicContact CD1-CB 3.59Å; F783-K854 HydrophobicContact CD1-CG 4.15Å; F783-K854 HydrophobicContact CE1-CB 3.96Å; F783-L855 HydrophobicContact CE1-CD2 4.21Å
784E97.7Very high96.7Very high0 Ų03.5 Ų3.50%02%0.016CC..Hα-helixtrans-57-44.1-179.6-63.991.2145.500111.6Q788 K854 R857 I858 F883E784-Q788 WeakPolarHBondContact O-CB 3.32Å; E784-Q788 WeakPolarHBondContact O-CG 3.47Å; E784-Q788 PolarHBondContact O-N 3.02Å; E784-K854 VanDerWaalsContact OE1-CD 3.27Å; E784-K854 WeakPolarHBondContact OE1-CD 3.25Å; E784-K854 IonicContact OE1-NZ 3.89Å; E784-K854 IonicContact OE2-NZ 2.6Å; E784-R857 VanDerWaalsContact OE1-CD 3.26Å; E784-R857 WeakPolarHBondContact OE1-CD 3.49Å; E784-R857 IonicContact OE1-NH1 3.65Å; E784-I858 HydrophobicContact CB-CD1 4.22Å; E784-I858 HydrophobicContact CB-CG1 4.06Å; E784-I858 HydrophobicContact CG-CD1 4.28Å; E784-I858 HydrophobicContact CG-CG1 3.92Å; E784-F883 CarbonylContact C-O 3.52Å; E784-F883 VanDerWaalsContact C-O 3.28Å; E784-F883 HydrophobicContact CB-CB 4.36Å; E784-F883 HydrophobicContact CB-CD2 4.47Å; E784-F883 HydrophobicContact CB-CG 4.29Å; E784-F883 HydrophobicContact CG-CD2 4.44Å
785E98Very high96.5Very high0 Ų04.6 Ų4.60%02%0.022CC..Hα-helixtrans-62.1-54.7176.4177.7178.3-147.200112G780 R781 N782 F783 F787 Q788 K789 F883 T934 N936G780-E785 WeakPolarHBondContact CA-OE2 3.46Å; R781-E785 PolarHBondContact N-OE2 2.88Å; N782-E785 WeakPolarHBondContact OD1-CA 3.39Å; N782-E785 WeakPolarHBondContact OD1-CB 3.49Å; N782-E785 PolarHBondContact OD1-N 2.77Å; F783-E785 VanDerWaalsContact C-N 3.31Å; F783-E785 PolarHBondContact O-N 2.83Å; E785-F787 VanDerWaalsContact C-N 3.33Å; E785-F787 PolarHBondContact O-N 3.23Å; E785-Q788 PolarHBondContact O-N 3.21Å; E785-K789 HydrophobicContact CG-CD 4.4Å; E785-K789 WeakPolarHBondContact O-CG 3.47Å; E785-K789 PolarHBondContact O-N 3.4Å; E785-K789 VanDerWaalsContact O-N 3.13Å; E785-K789 IonicContact OE1-NZ 3.05Å; E785-F883 PolarHBondContact N-O 2.9Å; E785-T934 VanDerWaalsContact CD-OG1 3.26Å; E785-T934 WeakPolarHBondContact OE1-CA 3.32Å; E785-T934 WeakPolarHBondContact OE1-CB 3.45Å; E785-T934 PolarHBondContact OE1-OG1 3.18Å; E785-T934 PolarHBondContact OE2-OG1 3.28Å; E785-N936 PolarHBondContact OE2-ND2 2.75Å
786A98Very high95.6Very high0 Ų07.6 Ų7.60%04%0.043CC..Hα-helixtrans-61.2-43.2-178.400000111.1V749 A778 N782 F783 K789 A790V749-A786 HydrophobicContact CB-CB 4.15Å; V749-A786 HydrophobicContact CG2-CB 3.63Å; A778-A786 WeakPolarHBondContact CB-O 3.14Å; N782-A786 PolarHBondContact O-N 3.4Å; F783-A786 PolarHBondContact O-N 3.42Å; A786-K789 PolarHBondContact O-N 3.45Å; A786-A790 WeakPolarHBondContact O-CB 3.35Å; A786-A790 PolarHBondContact O-N 2.73Å
787F98.4Very high94.8Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-65.1-46.1-179.1-173.5-97.9000112.8I642 V749 I751 F783 E785 K789 A790 L791 F801 P825 L855 I858I642-F787 HydrophobicContact CD1-CE2 3.84Å; I642-F787 HydrophobicContact CD1-CZ 4.38Å; I642-F787 HydrophobicContact CG2-CE2 4.35Å; V749-F787 HydrophobicContact CG1-CD2 4.13Å; I751-F787 HydrophobicContact CD1-CE2 4.46Å; F783-F787 HydrophobicContact CD1-CB 4.44Å; F783-F787 HydrophobicContact CE1-CB 4.13Å; F783-F787 HydrophobicContact CE1-CD2 4.26Å; F783-F787 HydrophobicContact CE1-CG 4.17Å; F783-F787 HydrophobicContact CE2-CB 4.38Å; F783-F787 HydrophobicContact CE2-CD2 4.19Å; F783-F787 HydrophobicContact CZ-CB 4.1Å; F783-F787 AromaticContact CZ-CD2 3.64Å; F783-F787 HydrophobicContact CZ-CD2 3.64Å; F783-F787 HydrophobicContact CZ-CE2 4.3Å; F783-F787 AromaticContact CZ-CG 4Å; F783-F787 HydrophobicContact CZ-CG 4Å; F783-F787 WeakPolarHBondContact O-CB 3.32Å; F783-F787 PolarHBondContact O-N 2.91Å; E785-F787 VanDerWaalsContact C-N 3.33Å; E785-F787 PolarHBondContact O-N 3.23Å; F787-K789 PolarHBondContact O-N 2.99Å; F787-A790 PolarHBondContact O-N 2.89Å; F787-L791 HydrophobicContact CD1-CD1 3.94Å; F787-L791 HydrophobicContact CE1-CD1 3.52Å; F787-L791 HydrophobicContact CE1-CG 4.23Å; F787-L791 HydrophobicContact CZ-CD1 4.16Å; F787-L791 PolarHBondContact O-N 2.8Å; F787-L791 VanDerWaalsContact O-N 3.11Å; F787-F801 HydrophobicContact CE1-CB 4.32Å; F787-F801 AromaticContact CE1-CD2 3.58Å; F787-F801 HydrophobicContact CE1-CD2 3.58Å; F787-F801 HydrophobicContact CE1-CE2 4.06Å; F787-F801 HydrophobicContact CE1-CG 4.15Å; F787-F801 HydrophobicContact CZ-CD2 4.31Å; F787-F801 HydrophobicContact CZ-CE2 4.46Å; F787-P825 HydrophobicContact CZ-CB 4.28Å; F787-L855 HydrophobicContact CD1-CD2 3.62Å; F787-L855 HydrophobicContact CE1-CD2 3.25Å; F787-L855 HydrophobicContact CE2-CD2 4.35Å; F787-L855 HydrophobicContact CG-CD2 4.3Å; F787-L855 HydrophobicContact CZ-CD2 3.68Å; F787-I858 HydrophobicContact CD1-CD1 4.37Å
788Q98Very high94.4Very high0 Ų014.5 Ų14.50%08%0.081CC..Hα-helixtrans-67.7-36.1179-70.7-157.290.400113E784 E785 R792 F801 I858 F883E784-Q788 WeakPolarHBondContact O-CB 3.32Å; E784-Q788 WeakPolarHBondContact O-CG 3.47Å; E784-Q788 PolarHBondContact O-N 3.02Å; E785-Q788 PolarHBondContact O-N 3.21Å; Q788-R792 PolarHBondContact O-N 2.87Å; Q788-R792 PolarHBondContact O-NH1 3.49Å; Q788-F801 HydrophobicContact CG-CB 4.34Å; Q788-I858 HydrophobicContact CG-CD1 3.86Å; Q788-I858 HydrophobicContact CG-CG2 4.39Å; Q788-F883 PolarHBondContact NE2-O 3Å
789K98.1Very high94.1Very high13 Ų1316.3 Ų16.36%0.0579%0.09CC..Hα-helixtrans-61.3-48.3171.3-75179.6-178.3-174.10111.5A778 I779 E785 A786 F787 L791 R792 M793 H933 E1006A778-K789 HydrophobicContact CB-CB 3.73Å; I779-K789 PolarHBondContact O-NZ 2.89Å; E785-K789 HydrophobicContact CG-CD 4.4Å; E785-K789 WeakPolarHBondContact O-CG 3.47Å; E785-K789 PolarHBondContact O-N 3.4Å; E785-K789 VanDerWaalsContact O-N 3.13Å; E785-K789 IonicContact OE1-NZ 3.05Å; A786-K789 PolarHBondContact O-N 3.45Å; F787-K789 PolarHBondContact O-N 2.99Å; K789-L791 VanDerWaalsContact C-N 3.3Å; K789-L791 PolarHBondContact O-N 2.93Å; K789-R792 PolarHBondContact O-N 3.41Å; K789-R792 VanDerWaalsContact O-N 3.12Å; K789-M793 HydrophobicContact CB-CE 4.41Å; K789-M793 WeakPolarHBondContact O-CG 3.43Å; K789-M793 PolarHBondContact O-N 3.38Å; K789-H933 PolarHBondContact NZ-O 3.46Å; K789-E1006 IonicContact NZ-OE1 3.18Å; K789-E1006 PolarHBondContact NZ-OE1 3.49Å; K789-E1006 IonicContact NZ-OE2 3.47Å
790A97.8Very high93.9Very high0 Ų016.3 Ų16.30%09%0.09CC..Hα-helixtrans-57.4-43.1-179.800000111.7V749 I751 V776 A778 A786 F787 R792 M793 V794V749-A790 HydrophobicContact CB-CB 4.43Å; V749-A790 HydrophobicContact CG1-CB 4.06Å; I751-A790 HydrophobicContact CB-CB 4.46Å; I751-A790 HydrophobicContact CD1-CB 3.48Å; I751-A790 VanDerWaalsContact CD1-CB 3.48Å; I751-A790 HydrophobicContact CG1-CB 3.69Å; V776-A790 HydrophobicContact CG2-CB 4.24Å; V776-A790 WeakPolarHBondContact CG2-O 3.41Å; A778-A790 HydrophobicContact CB-CB 3.72Å; A786-A790 WeakPolarHBondContact O-CB 3.35Å; A786-A790 PolarHBondContact O-N 2.73Å; F787-A790 PolarHBondContact O-N 2.89Å; A790-R792 VanDerWaalsContact C-N 3.33Å; A790-R792 PolarHBondContact O-N 2.88Å; A790-M793 WeakPolarHBondContact O-CB 3.48Å; A790-M793 PolarHBondContact O-N 3.23Å; A790-V794 WeakPolarHBondContact O-CG2 3.5Å; A790-V794 PolarHBondContact O-N 2.69Å
791L97.7Very high93.9Very high6 Ų616.3 Ų16.33%0.0319%0.09CC..Hα-helixtrans-59.2-40.5177.4-71.8173.5000113.2I751 F787 K789 D795 V798 F801 P825 F826I751-L791 HydrophobicContact CD1-CD2 3.72Å; I751-L791 HydrophobicContact CD1-CG 3.94Å; F787-L791 HydrophobicContact CD1-CD1 3.94Å; F787-L791 HydrophobicContact CE1-CD1 3.52Å; F787-L791 HydrophobicContact CE1-CG 4.23Å; F787-L791 HydrophobicContact CZ-CD1 4.16Å; F787-L791 PolarHBondContact O-N 2.8Å; F787-L791 VanDerWaalsContact O-N 3.11Å; K789-L791 VanDerWaalsContact C-N 3.3Å; K789-L791 PolarHBondContact O-N 2.93Å; L791-D795 PolarHBondContact O-N 2.92Å; L791-V798 HydrophobicContact CB-CG1 4.33Å; L791-F801 HydrophobicContact CD1-CB 3.91Å; L791-F801 HydrophobicContact CD1-CD2 4.09Å; L791-P825 HydrophobicContact CD2-CB 4.21Å; L791-P825 HydrophobicContact CD2-CG 4.47Å; L791-F826 HydrophobicContact CD1-CE1 4.45Å; L791-F826 HydrophobicContact CD2-CE1 4.3Å; L791-F826 HydrophobicContact CD2-CZ 3.94Å
792R96.4Very high93.8Very high19 Ų1916.3 Ų16.37%0.0729%0.091CC..Hα-helixtrans-71.2-35176.3-66.4-168.8-68.6-83.9-1.3112.9Q788 K789 A790 V794 D795 V798 L799 G884 E1007Q788-R792 PolarHBondContact O-N 2.87Å; Q788-R792 PolarHBondContact O-NH1 3.49Å; K789-R792 PolarHBondContact O-N 3.41Å; K789-R792 VanDerWaalsContact O-N 3.12Å; A790-R792 VanDerWaalsContact C-N 3.33Å; A790-R792 PolarHBondContact O-N 2.88Å; R792-V794 VanDerWaalsContact C-N 3.33Å; R792-D795 CarbonylContact O-C 3.45Å; R792-D795 PolarHBondContact O-N 3.44Å; R792-V798 WeakPolarHBondContact CG-O 3.21Å; R792-L799 WeakPolarHBondContact CD-O 3.49Å; R792-L799 PolarHBondContact NH1-O 3.38Å; R792-G884 VanDerWaalsContact CZ-O 3.32Å; R792-G884 PolarHBondContact NH1-O 2.86Å; R792-G884 PolarHBondContact NH2-O 3.34Å; R792-E1007 HydrophobicContact CB-CG 4.47Å; R792-E1007 WeakPolarHBondContact CD-OE2 3.34Å; R792-E1007 IonicContact CZ-OE2 3.21Å; R792-E1007 IonicContact NE-OE1 2.83Å; R792-E1007 IonicContact NE-OE2 2.66Å; R792-E1007 PolarHBondContact NE-OE2 2.76Å; R792-E1007 IonicContact NH2-OE2 3.68Å
793M96.7Very high93.6Very high2 Ų216 Ų161%0.019%0.089CC..Hα-helixtrans-66.8-34.6176.3-72.9168.9174.100111.9V776 A778 K789 A790 Y988 E1007V776-M793 HydrophobicContact CB-CB 3.89Å; V776-M793 HydrophobicContact CG1-CB 3.98Å; V776-M793 HydrophobicContact CG2-CB 3.94Å; A778-M793 HydrophobicContact CB-CE 4.25Å; A778-M793 HydrophobicContact CB-SD 3.74Å; K789-M793 HydrophobicContact CB-CE 4.41Å; K789-M793 WeakPolarHBondContact O-CG 3.43Å; K789-M793 PolarHBondContact O-N 3.38Å; A790-M793 WeakPolarHBondContact O-CB 3.48Å; A790-M793 PolarHBondContact O-N 3.23Å; M793-Y988 HydrophobicContact CB-CD2 3.65Å; M793-Y988 HydrophobicContact CB-CE2 3.65Å; M793-Y988 HydrophobicContact CB-CG 4.17Å; M793-Y988 HydrophobicContact CE-CG 4.35Å; M793-Y988 HydrophobicContact CG-CD1 4.14Å; M793-Y988 HydrophobicContact CG-CD2 3.86Å; M793-Y988 HydrophobicContact CG-CE1 4.42Å; M793-Y988 HydrophobicContact CG-CE2 4.16Å; M793-Y988 HydrophobicContact CG-CG 3.83Å; M793-Y988 VanDerWaalsContact O-CE2 3.27Å; M793-Y988 WeakPolarHBondContact O-CE2 3.5Å; M793-Y988 PolarHBondContact O-OH 2.83Å; M793-Y988 HydrophobicContact SD-CD2 4.17Å; M793-Y988 HydrophobicContact SD-CG 3.97Å; M793-E1007 HydrophobicContact CE-CB 4.07Å; M793-E1007 VanDerWaalsContact CE-N 3.25Å; M793-E1007 HydrophobicContact CG-CB 4.1Å; M793-E1007 HydrophobicContact CG-CG 4.32Å
794V95Very high93Very high18 Ų1820.4 Ų20.411%0.10911%0.113CC..Hα-helixtrans-64.6-48.5175.1173.90000110.7I751 R753 V776 A790 R792I751-V794 HydrophobicContact CB-CG2 3.68Å; I751-V794 HydrophobicContact CG2-CG2 3.57Å; R753-V794 PolarHBondContact NH1-O 3.01Å; V776-V794 HydrophobicContact CG1-CG2 4.17Å; V776-V794 HydrophobicContact CG2-CG2 3.52Å; A790-V794 WeakPolarHBondContact O-CG2 3.5Å; A790-V794 PolarHBondContact O-N 2.69Å; R792-V794 VanDerWaalsContact C-N 3.33Å
795D87.5Confident92.4Very high23 Ų2322.9 Ų22.912%0.12313%0.127CC..  trans-144.1119.1-175.5-163.3-10.7000111.4R753 L791 R792 D797 V798R753-D795 IonicContact NH1-OD1 2.98Å; R753-D795 IonicContact NH1-OD2 3.79Å; L791-D795 PolarHBondContact O-N 2.92Å; R792-D795 CarbonylContact O-C 3.45Å; R792-D795 PolarHBondContact O-N 3.44Å; D795-D797 PolarHBondContact O-N 3.38Å; D795-D797 VanDerWaalsContact O-N 3.16Å; D795-D797 PolarHBondContact OD1-N 3.01Å; D795-V798 HydrophobicContact CB-CG2 4.07Å; D795-V798 WeakPolarHBondContact O-CB 3.49Å; D795-V798 PolarHBondContact O-N 2.96Å
796S76Confident91.6Very high63 Ų6323.9 Ų23.944%0.44113%0.134SC..THydrogen-bonded Turntrans-66.7-16.9-176.553.30000113.8V798S796-V798 VanDerWaalsContact C-N 3.28Å
797D80.5Confident90.4Very high140 Ų14029.4 Ų29.475%0.74917%0.169SC*.THydrogen-bonded Turntrans-80.8-13.4176.8-65.3-21000112.1D795D795-D797 PolarHBondContact O-N 3.38Å; D795-D797 VanDerWaalsContact O-N 3.16Å; D795-D797 PolarHBondContact OD1-N 3.01Å
798V88.3Confident89Confident6 Ų634 Ų344%0.03619%0.193CC..  trans-91.4133.6174.5173.90000109.4L791 R792 D795 S796 G800 F826L791-V798 HydrophobicContact CB-CG1 4.33Å; R792-V798 WeakPolarHBondContact CG-O 3.21Å; D795-V798 HydrophobicContact CB-CG2 4.07Å; D795-V798 WeakPolarHBondContact O-CB 3.49Å; D795-V798 PolarHBondContact O-N 2.96Å; S796-V798 VanDerWaalsContact C-N 3.28Å; V798-G800 WeakPolarHBondContact CG1-O 3.3Å; V798-F826 HydrophobicContact CB-CZ 4.3Å; V798-F826 HydrophobicContact CG1-CE1 3.45Å; V798-F826 VanDerWaalsContact CG1-CE1 3.45Å; V798-F826 HydrophobicContact CG1-CZ 3.59Å; V798-F826 HydrophobicContact CG2-CE1 4.23Å; V798-F826 HydrophobicContact CG2-CE2 4.42Å; V798-F826 HydrophobicContact CG2-CZ 3.75Å
799L91.4Very high87.9Confident37 Ų3736.8 Ų36.819%0.19421%0.209CC..  trans-91.7-9.2-178.6-62.3-178.1000114.5R792 K888 Q889 K892R792-L799 WeakPolarHBondContact CD-O 3.49Å; R792-L799 PolarHBondContact NH1-O 3.38Å; L799-K888 HydrophobicContact CD2-CB 3.81Å; L799-K888 HydrophobicContact CD2-CD 4.18Å; L799-Q889 HydrophobicContact CB-CB 4.11Å; L799-Q889 HydrophobicContact CB-CG 4.23Å; L799-Q889 PolarHBondContact O-OE1 3.34Å; L799-Q889 VanDerWaalsContact O-OE1 3.12Å; L799-K892 HydrophobicContact CD1-CB 4.45Å; L799-K892 HydrophobicContact CD1-CD 3.9Å
800G94.3Very high86.8Confident0 Ų043.6 Ų43.60%024%0.238CC..SBendtrans148.2-150.7-174.300000110.3V798 D802V798-G800 WeakPolarHBondContact CG1-O 3.3Å; G800-D802 PolarHBondContact O-N 2.67Å
801F96.5Very high85.9Confident0 Ų052.3 Ų52.30%028%0.279CS..SBendtrans-75.175.4173-170.2-119.7000110.4F787 Q788 L791 P825 I828 A829 L832 L855 I858 I859F787-F801 HydrophobicContact CE1-CB 4.32Å; F787-F801 AromaticContact CE1-CD2 3.58Å; F787-F801 HydrophobicContact CE1-CD2 3.58Å; F787-F801 HydrophobicContact CE1-CE2 4.06Å; F787-F801 HydrophobicContact CE1-CG 4.15Å; F787-F801 HydrophobicContact CZ-CD2 4.31Å; F787-F801 HydrophobicContact CZ-CE2 4.46Å; Q788-F801 HydrophobicContact CG-CB 4.34Å; L791-F801 HydrophobicContact CD1-CB 3.91Å; L791-F801 HydrophobicContact CD1-CD2 4.09Å; F801-P825 HydrophobicContact CE2-CB 4.39Å; F801-P825 WeakPolarHBondContact CE2-O 3.5Å; F801-I828 HydrophobicContact CZ-CB 4.37Å; F801-I828 HydrophobicContact CZ-CG2 4.1Å; F801-A829 HydrophobicContact CD1-CB 3.97Å; F801-A829 HydrophobicContact CD2-CB 3.98Å; F801-A829 HydrophobicContact CE1-CB 3.69Å; F801-A829 HydrophobicContact CE2-CB 3.76Å; F801-A829 HydrophobicContact CG-CB 4.12Å; F801-A829 VanDerWaalsContact CZ-CA 3.49Å; F801-A829 HydrophobicContact CZ-CB 3.59Å; F801-L832 HydrophobicContact CE1-CD1 3.89Å; F801-L832 HydrophobicContact CZ-CD1 4.06Å; F801-L855 HydrophobicContact CD1-CD2 4.44Å; F801-L855 HydrophobicContact CD2-CD2 4.22Å; F801-L855 HydrophobicContact CE1-CB 3.8Å; F801-L855 HydrophobicContact CE1-CD2 4.19Å; F801-L855 HydrophobicContact CE1-CG 4.43Å; F801-L855 HydrophobicContact CE2-CD1 4.09Å; F801-L855 HydrophobicContact CE2-CD2 3.91Å; F801-L855 HydrophobicContact CE2-CG 4.42Å; F801-L855 HydrophobicContact CG-CD2 4.45Å; F801-L855 HydrophobicContact CZ-CB 3.78Å; F801-L855 HydrophobicContact CZ-CD1 3.85Å; F801-L855 HydrophobicContact CZ-CD2 3.91Å; F801-L855 HydrophobicContact CZ-CG 4.05Å; F801-I858 HydrophobicContact CB-CD1 4.24Å; F801-I858 HydrophobicContact CB-CG2 4.05Å; F801-I858 HydrophobicContact CD1-CB 4.18Å; F801-I858 HydrophobicContact CD1-CD1 4.37Å; F801-I858 HydrophobicContact CD1-CG2 4.18Å; F801-I859 HydrophobicContact CD1-CD1 3.81Å; F801-I859 HydrophobicContact CD1-CG1 4.05Å; F801-I859 HydrophobicContact CE1-CD1 3.89Å; F801-I859 HydrophobicContact CE1-CG1 3.79Å
802D91.2Very high85.1Confident10 Ų1056.2 Ų56.25%0.05330%0.297CS..  trans-100.7117.1-169.3-173.3-4.4000111.5G800 D804 V805 K892 Y893G800-D802 PolarHBondContact O-N 2.67Å; D802-D804 PolarHBondContact O-N 3.36Å; D802-D804 WeakPolarHBondContact OD1-CB 3.28Å; D802-D804 PolarHBondContact OD1-N 2.88Å; D802-V805 HydrophobicContact CB-CG2 3.96Å; D802-K892 IonicContact OD1-NZ 2.81Å; D802-K892 PolarHBondContact OD1-NZ 3.18Å; D802-K892 IonicContact OD2-NZ 3.2Å; D802-K892 PolarHBondContact OD2-NZ 3.35Å; D802-Y893 PolarHBondContact OD1-OH 3.36Å
803P90.3Very high84.6Confident0 Ų056 Ų560%030%0.297CS..G310 helixtrans-72.3-13.2-179.832-37.7000113.8V805 A829 Q833 I859P803-V805 VanDerWaalsContact C-N 3.32Å; P803-V805 PolarHBondContact O-N 3.3Å; P803-A829 HydrophobicContact CB-CB 4.02Å; P803-Q833 HydrophobicContact CB-CB 3.99Å; P803-Q833 HydrophobicContact CB-CG 4.44Å; P803-Q833 HydrophobicContact CG-CB 4.27Å; P803-Q833 VanDerWaalsContact CG-CD 3.44Å; P803-Q833 HydrophobicContact CG-CG 4.27Å; P803-Q833 VanDerWaalsContact CG-OE1 3.28Å; P803-I859 HydrophobicContact CG-CD1 4.4Å
804D86Confident84.1Confident92 Ų9258.1 Ų58.149%0.49232%0.315SS..G310 helixtrans-83.6-6.8-176.3-59.5-33.7000113.4D802 K892D802-D804 PolarHBondContact O-N 3.36Å; D802-D804 WeakPolarHBondContact OD1-CB 3.28Å; D802-D804 PolarHBondContact OD1-N 2.88Å; D804-K892 WeakPolarHBondContact OD2-CE 3.44Å; D804-K892 IonicContact OD2-NZ 2.81Å; D804-K892 PolarHBondContact OD2-NZ 3.46Å
805V83.7Confident83.7Confident51 Ų5162.7 Ų62.731%0.30934%0.335SS..G310 helixtrans-68.8-34.2-177.3174.40000112.1D802 P803 F826D802-V805 HydrophobicContact CB-CG2 3.96Å; P803-V805 VanDerWaalsContact C-N 3.32Å; P803-V805 PolarHBondContact O-N 3.3Å; V805-F826 HydrophobicContact CB-CB 4.16Å; V805-F826 HydrophobicContact CB-CD1 4.06Å; V805-F826 HydrophobicContact CB-CG 4.02Å; V805-F826 HydrophobicContact CG1-CB 4.38Å; V805-F826 HydrophobicContact CG1-CD1 4.35Å; V805-F826 HydrophobicContact CG1-CD2 4.12Å; V805-F826 HydrophobicContact CG1-CG 4.01Å; V805-F826 HydrophobicContact CG2-CD1 4.01Å; V805-F826 HydrophobicContact CG2-CE1 4.32Å; V805-F826 HydrophobicContact CG2-CG 4.45Å
806V81.4Confident83.7Confident22 Ų2264.3 Ų64.313%0.13334%0.342CS..SBendtrans-107.4127.7179.5-179.60000109L808 R823 F826 V827V806-L808 PolarHBondContact O-N 2.72Å; V806-R823 HydrophobicContact CG2-CB 4.26Å; V806-F826 HydrophobicContact CG2-CB 3.73Å; V806-V827 HydrophobicContact CG1-CG2 4.43Å; V806-V827 HydrophobicContact CG2-CG2 4.31Å
807P73.9Confident84.4Confident115 Ų11561.3 Ų61.375%0.74732%0.321SS*.  trans-62.4129.1176.124-31.6000110.9N809P807-N809 PolarHBondContact O-N 2.79Å
808L67.6Low84.9Confident96 Ų9657.2 Ų57.250%0.50330%0.303SS..  trans-69.7110.5-176-70.3163.2000111.6V806 A830 L834V806-L808 PolarHBondContact O-N 2.72Å; L808-A830 HydrophobicContact CD2-CB 3.68Å; L808-L834 HydrophobicContact CD2-CD1 3.85Å; L808-L834 HydrophobicContact CD2-CD2 4.49Å; L808-L834 HydrophobicContact CD2-CG 4.06Å
809N75.8Confident84.9Confident60 Ų6061.3 Ų61.332%0.32132%0.322SS..  trans-121.7104.7163.5-173.8-5.8000110.3P807 E811 Q812 L813P807-N809 PolarHBondContact O-N 2.79Å; N809-E811 PolarHBondContact O-N 2.88Å; N809-E811 PolarHBondContact OD1-N 3.22Å; N809-E811 VanDerWaalsContact OD1-N 3.08Å; N809-Q812 HydrophobicContact CB-CB 4.34Å; N809-Q812 WeakPolarHBondContact ND2-CG 3.4Å; N809-Q812 PolarHBondContact ND2-OE1 3.07Å; N809-Q812 PolarHBondContact O-N 3.39Å; N809-L813 PolarHBondContact O-N 3.48Å; N809-L813 VanDerWaalsContact O-N 3.11Å
810K75.2Confident84.9Confident156 Ų15660.6 Ų60.668%0.67832%0.32SS*.THydrogen-bonded Turntrans-60.3-31-179.1-73.9-172.1176.5-173.30113.4L834K810-L834 HydrophobicContact CG-CD1 4.05Å
811E78.7Confident84.8Confident182 Ų18261.8 Ų61.885%0.8533%0.327SS*.THydrogen-bonded Turntrans-72.4-32.7-177.5-63.4177.4-17800112N809N809-E811 PolarHBondContact O-N 2.88Å; N809-E811 PolarHBondContact OD1-N 3.22Å; N809-E811 VanDerWaalsContact OD1-N 3.08Å
812Q80.6Confident84.5Confident88 Ų8862.6 Ų62.641%0.41133%0.331SS..THydrogen-bonded Turntrans-95.4-8.6-179.3-69.8175.3-28.800113.3N809 A814 E815 Q816N809-Q812 HydrophobicContact CB-CB 4.34Å; N809-Q812 WeakPolarHBondContact ND2-CG 3.4Å; N809-Q812 PolarHBondContact ND2-OE1 3.07Å; N809-Q812 PolarHBondContact O-N 3.39Å; Q812-A814 PolarHBondContact O-N 3.24Å; Q812-E815 PolarHBondContact O-N 3.24Å; Q812-Q816 WeakPolarHBondContact O-CG 3.2Å; Q812-Q816 PolarHBondContact O-N 3.04Å
813L85.8Confident84.5Confident15 Ų1566 Ų668%0.07934%0.343CS..Hα-helixtrans-61.2-43.1-172.6-17563.4000112.7N809 Q816 L817 V827 A831 L834 M836N809-L813 PolarHBondContact O-N 3.48Å; N809-L813 VanDerWaalsContact O-N 3.11Å; L813-Q816 PolarHBondContact O-N 3.07Å; L813-L817 HydrophobicContact CD1-CD1 4.33Å; L813-L817 HydrophobicContact CD1-CG 4.5Å; L813-L817 HydrophobicContact CG-CD1 4Å; L813-L817 WeakPolarHBondContact O-CB 3.18Å; L813-L817 WeakPolarHBondContact O-CD1 3.23Å; L813-L817 VanDerWaalsContact O-CG 3.25Å; L813-L817 WeakPolarHBondContact O-CG 3.23Å; L813-L817 PolarHBondContact O-N 3.12Å; L813-V827 HydrophobicContact CD1-CG1 3.7Å; L813-A831 HydrophobicContact CD1-CB 4.25Å; L813-A831 HydrophobicContact CD2-CB 4.02Å; L813-A831 HydrophobicContact CG-CB 4.44Å; L813-L834 HydrophobicContact CD2-CD1 3.91Å; L813-M836 HydrophobicContact CD2-CE 3.72Å; L813-M836 HydrophobicContact CG-CE 4.23Å
814A86Confident84.7Confident47 Ų4766.5 Ų66.539%0.38835%0.345SS..Hα-helixtrans-63.8-42.117900000111.9Q812 L817 S818 L844Q812-A814 PolarHBondContact O-N 3.24Å; A814-L817 PolarHBondContact O-N 2.94Å; A814-S818 PolarHBondContact O-N 2.84Å; A814-S818 VanDerWaalsContact O-N 3.09Å; A814-S818 PolarHBondContact O-OG 2.96Å; A814-L844 HydrophobicContact CB-CD1 4.37Å; A814-L844 HydrophobicContact CB-CD2 4.39Å
815E86.7Confident85.1Confident114 Ų11462.8 Ų62.853%0.53333%0.326SS..Hα-helixtrans-61.9-48175.4-175-178.1-170.100111Q812 L817 S818 E819Q812-E815 PolarHBondContact O-N 3.24Å; E815-L817 VanDerWaalsContact C-N 3.28Å; E815-L817 PolarHBondContact O-N 2.8Å; E815-S818 PolarHBondContact O-N 2.98Å; E815-E819 WeakPolarHBondContact O-CB 3.2Å; E815-E819 PolarHBondContact O-N 3.26Å
816Q87.9Confident85.7Confident57 Ų5760.9 Ų60.927%0.26631%0.314SS..Hα-helixtrans-64.7-27178.8-69.9179.80.800114.1Q812 L813 V827Q812-Q816 WeakPolarHBondContact O-CG 3.2Å; Q812-Q816 PolarHBondContact O-N 3.04Å; L813-Q816 PolarHBondContact O-N 3.07Å; Q816-V827 HydrophobicContact CB-CG1 3.89Å
817L91.4Very high86.3Confident0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-78.2-37.9175.6-73.2166.4000112L813 A814 E815 V827 I828 A831 M836 L841 L844 T845L813-L817 HydrophobicContact CD1-CD1 4.33Å; L813-L817 HydrophobicContact CD1-CG 4.5Å; L813-L817 HydrophobicContact CG-CD1 4Å; L813-L817 WeakPolarHBondContact O-CB 3.18Å; L813-L817 WeakPolarHBondContact O-CD1 3.23Å; L813-L817 VanDerWaalsContact O-CG 3.25Å; L813-L817 WeakPolarHBondContact O-CG 3.23Å; L813-L817 PolarHBondContact O-N 3.12Å; A814-L817 PolarHBondContact O-N 2.94Å; E815-L817 VanDerWaalsContact C-N 3.28Å; E815-L817 PolarHBondContact O-N 2.8Å; L817-V827 HydrophobicContact CD2-CG1 3.85Å; L817-V827 HydrophobicContact CG-CG1 3.98Å; L817-I828 HydrophobicContact CD2-CG1 3.85Å; L817-A831 HydrophobicContact CD1-CB 4.17Å; L817-M836 HydrophobicContact CD1-CE 3.97Å; L817-M836 HydrophobicContact CD1-SD 3.71Å; L817-L841 HydrophobicContact CD1-CD2 3.84Å; L817-L841 HydrophobicContact CD2-CD2 3.89Å; L817-L844 HydrophobicContact CB-CB 4.08Å; L817-L844 HydrophobicContact CB-CD1 4.24Å; L817-L844 HydrophobicContact CD1-CD1 3.83Å; L817-T845 HydrophobicContact CB-CG2 4.17Å; L817-T845 HydrophobicContact CD2-CG2 4.14Å
818S90Very high87.3Confident53 Ų5354.5 Ų54.537%0.37127%0.273SS..Hα-helixtrans-79.3-27177.8-68.90000113.9A814 E815 P820 L844A814-S818 PolarHBondContact O-N 2.84Å; A814-S818 VanDerWaalsContact O-N 3.09Å; A814-S818 PolarHBondContact O-OG 2.96Å; E815-S818 PolarHBondContact O-N 2.98Å; S818-P820 WeakPolarHBondContact O-CD 3.5Å; S818-L844 WeakPolarHBondContact CA-O 3.47Å; S818-L844 WeakPolarHBondContact OG-CD2 3.27Å; S818-L844 PolarHBondContact OG-O 2.73Å
819E88.8Confident88.7Confident93 Ų9350 Ų5044%0.43525%0.249SC..SBendtrans-11089.1175.7-61.7-165.3171.400110.9H765 E815H765-E819 IonicContact CE1-OE2 3.35Å; H765-E819 PolarHBondContact CE1-OE2 2.87Å; H765-E819 IonicContact ND1-OE2 2.81Å; H765-E819 IonicContact NE2-OE2 3.64Å; E815-E819 WeakPolarHBondContact O-CB 3.2Å; E815-E819 PolarHBondContact O-N 3.26Å
820P90.9Very high89.5Confident22 Ų2247.2 Ų47.214%0.14324%0.235CC..  trans-62.4140.3-171.327.7-36.1000111.9I636 H765 I766 S818 R824I636-P820 HydrophobicContact CD1-CB 3.84Å; I636-P820 HydrophobicContact CD1-CG 3.74Å; I636-P820 HydrophobicContact CG1-CG 4.05Å; H765-P820 VanDerWaalsContact CA-O 3.3Å; H765-P820 WeakPolarHBondContact CA-O 3.42Å; I766-P820 HydrophobicContact CD1-CB 4.17Å; I766-P820 HydrophobicContact CG1-CB 3.78Å; I766-P820 HydrophobicContact CG1-CG 4.21Å; I766-P820 PolarHBondContact N-O 3.41Å; S818-P820 WeakPolarHBondContact O-CD 3.5Å; P820-R824 HydrophobicContact CB-CG 4.48Å
821T92.4Very high90.4Very high25 Ų2539.8 Ų39.815%0.15320%0.202CC..BIsolated β-bridgetrans-127.3173.9175.362.40000110.8K764 R823 R824K764-T821 HydrophobicContact CB-CG2 4.41Å; K764-T821 WeakPolarHBondContact O-CA 3.29Å; K764-T821 WeakPolarHBondContact O-CB 3.39Å; T821-R823 PolarHBondContact O-N 2.99Å; T821-R823 PolarHBondContact OG1-N 2.88Å; T821-R824 WeakPolarHBondContact O-CB 3.22Å; T821-R824 PolarHBondContact O-N 3.38Å
822D90.5Very high91.2Very high17 Ų1731.8 Ų31.89%0.09117%0.165CC..THydrogen-bonded Turntrans-56.9-12.4172.466.2-54.6000114.1W754 L756 K764W754-D822 HydrophobicContact CB-CB 3.96Å; W754-D822 HydrophobicContact CD2-CB 3.91Å; W754-D822 HydrophobicContact CE3-CB 3.98Å; W754-D822 HydrophobicContact CG-CB 3.93Å; L756-D822 HydrophobicContact CD1-CB 4.35Å; K764-D822 PolarHBondContact O-N 2.83Å
823R91.8Very high91.7Very high82 Ų8231.2 Ų31.231%0.30916%0.163SC..THydrogen-bonded Turntrans-107.49178.4-59.2-63.7177163.8-1.4114.1V806 T821 P825 F826 V827V806-R823 HydrophobicContact CG2-CB 4.26Å; T821-R823 PolarHBondContact O-N 2.99Å; T821-R823 PolarHBondContact OG1-N 2.88Å; R823-P825 VanDerWaalsContact C-CD 3.47Å; R823-F826 HydrophobicContact CB-CD2 4.38Å; R823-F826 PolarHBondContact O-N 2.79Å; R823-V827 PolarHBondContact O-N 2.93Å
824R93.6Very high91.9Very high9 Ų933.8 Ų33.83%0.03418%0.176CC..Hα-helixtrans-47.4-45.8-175.8-169.5-173.6-157.9-177.45.9114.5D632 I636 P820 T821 F826 V827 I828 T845D632-R824 WeakPolarHBondContact OD1-CD 3.36Å; D632-R824 IonicContact OD1-CZ 3.87Å; D632-R824 IonicContact OD1-NE 3.32Å; D632-R824 IonicContact OD1-NH1 3.48Å; D632-R824 PolarHBondContact OD1-NH1 3.36Å; I636-R824 VanDerWaalsContact CD1-NH1 3.33Å; P820-R824 HydrophobicContact CB-CG 4.48Å; T821-R824 WeakPolarHBondContact O-CB 3.22Å; T821-R824 PolarHBondContact O-N 3.38Å; R824-F826 VanDerWaalsContact C-N 3.29Å; R824-F826 PolarHBondContact O-N 3.26Å; R824-V827 PolarHBondContact O-N 3.21Å; R824-V827 VanDerWaalsContact O-N 3.16Å; R824-I828 HydrophobicContact CG-CD1 4.16Å; R824-I828 WeakPolarHBondContact O-CG1 3.45Å; R824-I828 PolarHBondContact O-N 3.48Å; R824-T845 VanDerWaalsContact NH2-CA 3.34Å; R824-T845 VanDerWaalsContact NH2-CB 3.26Å; R824-T845 PolarHBondContact NH2-O 2.92Å
825P95.3Very high92.1Very high14 Ų1434.6 Ų34.69%0.09119%0.189CC..Hα-helixtrans-56.7-41.1178.6-27.136.9000113.1I642 F787 L791 F801 R823 I828 A829I642-P825 HydrophobicContact CD1-CG 3.81Å; F787-P825 HydrophobicContact CZ-CB 4.28Å; L791-P825 HydrophobicContact CD2-CB 4.21Å; L791-P825 HydrophobicContact CD2-CG 4.47Å; F801-P825 HydrophobicContact CE2-CB 4.39Å; F801-P825 WeakPolarHBondContact CE2-O 3.5Å; R823-P825 VanDerWaalsContact C-CD 3.47Å; P825-I828 WeakPolarHBondContact O-CB 3.3Å; P825-I828 PolarHBondContact O-N 2.74Å; P825-A829 PolarHBondContact O-N 2.92Å
826F95.1Very high92.4Very high12 Ų1231 Ų315%0.05317%0.173CC..Hα-helixtrans-74-30.4-179-51.7-66.6000112.6L791 V798 V805 V806 R823 R824 I828 A829 A830L791-F826 HydrophobicContact CD1-CE1 4.45Å; L791-F826 HydrophobicContact CD2-CE1 4.3Å; L791-F826 HydrophobicContact CD2-CZ 3.94Å; V798-F826 HydrophobicContact CB-CZ 4.3Å; V798-F826 HydrophobicContact CG1-CE1 3.45Å; V798-F826 VanDerWaalsContact CG1-CE1 3.45Å; V798-F826 HydrophobicContact CG1-CZ 3.59Å; V798-F826 HydrophobicContact CG2-CE1 4.23Å; V798-F826 HydrophobicContact CG2-CE2 4.42Å; V798-F826 HydrophobicContact CG2-CZ 3.75Å; V805-F826 HydrophobicContact CB-CB 4.16Å; V805-F826 HydrophobicContact CB-CD1 4.06Å; V805-F826 HydrophobicContact CB-CG 4.02Å; V805-F826 HydrophobicContact CG1-CB 4.38Å; V805-F826 HydrophobicContact CG1-CD1 4.35Å; V805-F826 HydrophobicContact CG1-CD2 4.12Å; V805-F826 HydrophobicContact CG1-CG 4.01Å; V805-F826 HydrophobicContact CG2-CD1 4.01Å; V805-F826 HydrophobicContact CG2-CE1 4.32Å; V805-F826 HydrophobicContact CG2-CG 4.45Å; V806-F826 HydrophobicContact CG2-CB 3.73Å; R823-F826 HydrophobicContact CB-CD2 4.38Å; R823-F826 PolarHBondContact O-N 2.79Å; R824-F826 VanDerWaalsContact C-N 3.29Å; R824-F826 PolarHBondContact O-N 3.26Å; F826-I828 VanDerWaalsContact C-N 3.33Å; F826-A829 WeakPolarHBondContact O-CB 3.28Å; F826-A829 PolarHBondContact O-N 3.41Å; F826-A830 WeakPolarHBondContact O-CB 3.16Å; F826-A830 PolarHBondContact O-N 2.79Å
827V94.4Very high92.7Very high3 Ų330.7 Ų30.72%0.01818%0.177CC..Hα-helixtrans-64.6-40.3170.9-177.10000110.3V806 L813 Q816 L817 R823 R824 A830 A831V806-V827 HydrophobicContact CG1-CG2 4.43Å; V806-V827 HydrophobicContact CG2-CG2 4.31Å; L813-V827 HydrophobicContact CD1-CG1 3.7Å; Q816-V827 HydrophobicContact CB-CG1 3.89Å; L817-V827 HydrophobicContact CD2-CG1 3.85Å; L817-V827 HydrophobicContact CG-CG1 3.98Å; R823-V827 PolarHBondContact O-N 2.93Å; R824-V827 PolarHBondContact O-N 3.21Å; R824-V827 VanDerWaalsContact O-N 3.16Å; V827-A830 PolarHBondContact O-N 3.22Å; V827-A831 WeakPolarHBondContact O-CB 3.27Å; V827-A831 PolarHBondContact O-N 3.19Å
828I96Very high92.9Very high0 Ų031.9 Ų31.90%018%0.183CC..Hα-helixtrans-64.9-43.8174.1-62.2166.9000110.5F631 F801 L817 R824 P825 F826 A830 A831 L832 I847 L852 L855F631-I828 HydrophobicContact CE1-CD1 4.37Å; F631-I828 HydrophobicContact CZ-CD1 4.12Å; F801-I828 HydrophobicContact CZ-CB 4.37Å; F801-I828 HydrophobicContact CZ-CG2 4.1Å; L817-I828 HydrophobicContact CD2-CG1 3.85Å; R824-I828 HydrophobicContact CG-CD1 4.16Å; R824-I828 WeakPolarHBondContact O-CG1 3.45Å; R824-I828 PolarHBondContact O-N 3.48Å; P825-I828 WeakPolarHBondContact O-CB 3.3Å; P825-I828 PolarHBondContact O-N 2.74Å; F826-I828 VanDerWaalsContact C-N 3.33Å; I828-A830 VanDerWaalsContact C-N 3.33Å; I828-A830 PolarHBondContact O-N 3.29Å; I828-A831 PolarHBondContact O-N 3.47Å; I828-L832 HydrophobicContact CG2-CD1 3.94Å; I828-L832 HydrophobicContact CG2-CG 4.35Å; I828-L832 WeakPolarHBondContact O-CG 3.46Å; I828-L832 PolarHBondContact O-N 2.81Å; I828-I847 HydrophobicContact CD1-CD1 3.55Å; I828-L852 HydrophobicContact CG2-CD2 4.28Å; I828-L855 HydrophobicContact CG2-CD1 4.07Å
829A95.4Very high93.2Very high0 Ų037.2 Ų37.20%020%0.195CC..Hα-helixtrans-56.5-47.2175.500000111.7F801 P803 P825 F826 L832 Q833 I859F801-A829 HydrophobicContact CD1-CB 3.97Å; F801-A829 HydrophobicContact CD2-CB 3.98Å; F801-A829 HydrophobicContact CE1-CB 3.69Å; F801-A829 HydrophobicContact CE2-CB 3.76Å; F801-A829 HydrophobicContact CG-CB 4.12Å; F801-A829 VanDerWaalsContact CZ-CA 3.49Å; F801-A829 HydrophobicContact CZ-CB 3.59Å; P803-A829 HydrophobicContact CB-CB 4.02Å; P825-A829 PolarHBondContact O-N 2.92Å; F826-A829 WeakPolarHBondContact O-CB 3.28Å; F826-A829 PolarHBondContact O-N 3.41Å; A829-L832 PolarHBondContact O-N 3.45Å; A829-Q833 WeakPolarHBondContact O-CB 3.36Å; A829-Q833 PolarHBondContact O-N 3.3Å; A829-I859 HydrophobicContact CB-CD1 4.17Å
830A93.4Very high93.5Very high3 Ų337.4 Ų37.43%0.02520%0.196CC..Hα-helixtrans-60.8-42.417600000112.5L808 F826 V827 I828 Q833 L834L808-A830 HydrophobicContact CD2-CB 3.68Å; F826-A830 WeakPolarHBondContact O-CB 3.16Å; F826-A830 PolarHBondContact O-N 2.79Å; V827-A830 PolarHBondContact O-N 3.22Å; I828-A830 VanDerWaalsContact C-N 3.33Å; I828-A830 PolarHBondContact O-N 3.29Å; A830-Q833 PolarHBondContact O-N 2.85Å; A830-L834 WeakPolarHBondContact O-CG 3.31Å; A830-L834 PolarHBondContact O-N 3.18Å
831A94.5Very high93.7Very high0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-64.8-42.8177.200000112.7L813 L817 V827 I828 L834 G835 M836 L841L813-A831 HydrophobicContact CD1-CB 4.25Å; L813-A831 HydrophobicContact CD2-CB 4.02Å; L813-A831 HydrophobicContact CG-CB 4.44Å; L817-A831 HydrophobicContact CD1-CB 4.17Å; V827-A831 WeakPolarHBondContact O-CB 3.27Å; V827-A831 PolarHBondContact O-N 3.19Å; I828-A831 PolarHBondContact O-N 3.47Å; A831-L834 PolarHBondContact O-N 2.68Å; A831-G835 PolarHBondContact O-N 2.6Å; A831-M836 HydrophobicContact CB-CB 4.26Å; A831-M836 HydrophobicContact CB-CE 4.45Å; A831-M836 HydrophobicContact CB-SD 4.1Å; A831-M836 VanDerWaalsContact O-CB 3.31Å; A831-M836 WeakPolarHBondContact O-CB 3.21Å; A831-M836 PolarHBondContact O-N 2.75Å; A831-L841 HydrophobicContact CB-CD2 3.8Å
832L94.8Very high93.9Very high13 Ų1336.8 Ų36.87%0.06819%0.19CC..Hα-helixtrans-64.4-41.9175.2-73168.8000111.5F801 I828 A829 L834 G835 L838 L841 L855 E856 I859F801-L832 HydrophobicContact CE1-CD1 3.89Å; F801-L832 HydrophobicContact CZ-CD1 4.06Å; I828-L832 HydrophobicContact CG2-CD1 3.94Å; I828-L832 HydrophobicContact CG2-CG 4.35Å; I828-L832 WeakPolarHBondContact O-CG 3.46Å; I828-L832 PolarHBondContact O-N 2.81Å; A829-L832 PolarHBondContact O-N 3.45Å; L832-L834 PolarHBondContact O-N 2.73Å; L832-G835 PolarHBondContact O-N 2.78Å; L832-L838 HydrophobicContact CD2-CD2 3.8Å; L832-L841 HydrophobicContact CD2-CD1 3.48Å; L832-L841 VanDerWaalsContact CD2-CD1 3.48Å; L832-L841 HydrophobicContact CG-CD1 3.83Å; L832-L855 HydrophobicContact CD1-CB 3.92Å; L832-E856 HydrophobicContact CD2-CB 4Å; L832-E856 HydrophobicContact CD2-CG 4.22Å; L832-I859 HydrophobicContact CB-CB 4.44Å; L832-I859 HydrophobicContact CB-CG1 3.92Å; L832-I859 HydrophobicContact CB-CG2 4.44Å; L832-I859 HydrophobicContact CD1-CG1 4.23Å
833Q91.3Very high94Very high77 Ų7741.6 Ų41.636%0.3621%0.211SC..Hα-helixtrans-63.4-31.5176-166.3-17331.900112.3P803 A829 A830 G835 I859P803-Q833 HydrophobicContact CB-CB 3.99Å; P803-Q833 HydrophobicContact CB-CG 4.44Å; P803-Q833 HydrophobicContact CG-CB 4.27Å; P803-Q833 VanDerWaalsContact CG-CD 3.44Å; P803-Q833 HydrophobicContact CG-CG 4.27Å; P803-Q833 VanDerWaalsContact CG-OE1 3.28Å; A829-Q833 WeakPolarHBondContact O-CB 3.36Å; A829-Q833 PolarHBondContact O-N 3.3Å; A830-Q833 PolarHBondContact O-N 2.85Å; Q833-G835 PolarHBondContact O-N 2.85Å; Q833-I859 HydrophobicContact CB-CG2 4.32Å
834L90.1Very high94.2Very high68 Ų6840 Ų4036%0.35621%0.209SC..THydrogen-bonded Turntrans-75.9-5.7173.1-74.1177.8000114L808 K810 L813 A830 A831 L832L808-L834 HydrophobicContact CD2-CD1 3.85Å; L808-L834 HydrophobicContact CD2-CD2 4.49Å; L808-L834 HydrophobicContact CD2-CG 4.06Å; K810-L834 HydrophobicContact CG-CD1 4.05Å; L813-L834 HydrophobicContact CD2-CD1 3.91Å; A830-L834 WeakPolarHBondContact O-CG 3.31Å; A830-L834 PolarHBondContact O-N 3.18Å; A831-L834 PolarHBondContact O-N 2.68Å; L832-L834 PolarHBondContact O-N 2.73Å
835G90.3Very high94.2Very high65 Ų6539.7 Ų39.767%0.6721%0.208SC*.THydrogen-bonded Turntrans79.124.7-179.800000114.2A831 L832 Q833A831-G835 PolarHBondContact O-N 2.6Å; L832-G835 PolarHBondContact O-N 2.78Å; Q833-G835 PolarHBondContact O-N 2.85Å
836M93Very high94.2Very high38 Ų3842.5 Ų42.519%0.18722%0.222CC..  trans-62.8135.2169.7-174.4176.4-7300109.6L813 L817 A831 E840 L841 L844L813-M836 HydrophobicContact CD2-CE 3.72Å; L813-M836 HydrophobicContact CG-CE 4.23Å; L817-M836 HydrophobicContact CD1-CE 3.97Å; L817-M836 HydrophobicContact CD1-SD 3.71Å; A831-M836 HydrophobicContact CB-CB 4.26Å; A831-M836 HydrophobicContact CB-CE 4.45Å; A831-M836 HydrophobicContact CB-SD 4.1Å; A831-M836 VanDerWaalsContact O-CB 3.31Å; A831-M836 WeakPolarHBondContact O-CB 3.21Å; A831-M836 PolarHBondContact O-N 2.75Å; M836-E840 HydrophobicContact CG-CB 3.83Å; M836-E840 HydrophobicContact SD-CB 4.28Å; M836-L841 HydrophobicContact CG-CD2 4.44Å; M836-L841 HydrophobicContact CG-CG 4.06Å; M836-L841 HydrophobicContact SD-CD2 3.6Å; M836-L841 VanDerWaalsContact SD-CD2 3.6Å; M836-L841 HydrophobicContact SD-CG 3.8Å; M836-L844 HydrophobicContact SD-CD1 4.22Å
837S94.9Very high94.3Very high50 Ų5042 Ų4235%0.3522%0.22SC..  trans-71.9150.1-17868.70000111.8R839 E840 L841S837-R839 PolarHBondContact O-N 2.85Å; S837-R839 VanDerWaalsContact O-N 3.15Å; S837-E840 WeakPolarHBondContact CB-OE2 3.45Å; S837-E840 PolarHBondContact N-OE2 2.69Å; S837-E840 PolarHBondContact O-N 2.72Å; S837-E840 VanDerWaalsContact O-N 3.09Å; S837-E840 VanDerWaalsContact OG-CD 3.27Å; S837-E840 VanDerWaalsContact OG-CG 3.28Å; S837-E840 WeakPolarHBondContact OG-CG 3.35Å; S837-E840 PolarHBondContact OG-N 2.62Å; S837-E840 PolarHBondContact OG-OE2 3.35Å; S837-L841 PolarHBondContact O-N 2.97Å
838L95.4Very high94.3Very high26 Ų2642.8 Ų42.814%0.13622%0.224CC..Hα-helixtrans-56.6-31.7175.3-55.3-175.4000112.3L832 L841 H842 Y849 L852 E853 E856L832-L838 HydrophobicContact CD2-CD2 3.8Å; L838-L841 PolarHBondContact O-N 3.33Å; L838-H842 VanDerWaalsContact O-CB 3.29Å; L838-H842 WeakPolarHBondContact O-CB 3.42Å; L838-H842 PolarHBondContact O-N 2.91Å; L838-Y849 HydrophobicContact CB-CD1 4.15Å; L838-Y849 HydrophobicContact CB-CE1 4.33Å; L838-L852 HydrophobicContact CD2-CB 4.08Å; L838-E853 HydrophobicContact CD1-CB 4.13Å; L838-E856 HydrophobicContact CD2-CB 4.16Å
839R95.4Very high94.3Very high165 Ų16545.5 Ų45.562%0.62324%0.235SC*.Hα-helixtrans-65.4-44.3176.9-177.4178.6179.2176.32.8112.2S837 Q843 Y849S837-R839 PolarHBondContact O-N 2.85Å; S837-R839 VanDerWaalsContact O-N 3.15Å; R839-Q843 WeakPolarHBondContact O-CB 3.47Å; R839-Q843 VanDerWaalsContact O-CG 3.23Å; R839-Q843 WeakPolarHBondContact O-CG 3.27Å; R839-Q843 PolarHBondContact O-N 3.17Å; R839-Y849 HydrophobicContact CB-CE1 4.45Å
840E94.4Very high94.2Very high96 Ų9645.6 Ų45.645%0.44924%0.235SC..Hα-helixtrans-65.9-43.9176.3-70.7162.9135.800110.6M836 S837 H842 Q843 L844M836-E840 HydrophobicContact CG-CB 3.83Å; M836-E840 HydrophobicContact SD-CB 4.28Å; S837-E840 WeakPolarHBondContact CB-OE2 3.45Å; S837-E840 PolarHBondContact N-OE2 2.69Å; S837-E840 PolarHBondContact O-N 2.72Å; S837-E840 VanDerWaalsContact O-N 3.09Å; S837-E840 VanDerWaalsContact OG-CD 3.27Å; S837-E840 VanDerWaalsContact OG-CG 3.28Å; S837-E840 WeakPolarHBondContact OG-CG 3.35Å; S837-E840 PolarHBondContact OG-N 2.62Å; S837-E840 PolarHBondContact OG-OE2 3.35Å; E840-H842 PolarHBondContact O-N 3.48Å; E840-Q843 PolarHBondContact O-N 2.87Å; E840-L844 WeakPolarHBondContact O-CG 3.21Å; E840-L844 PolarHBondContact O-N 3.45Å
841L96.1Very high94.4Very high0 Ų045.5 Ų45.50%023%0.234CC..Hα-helixtrans-58.7-48.4175.2-76.5170.6000111.8L817 A831 L832 M836 S837 L838 Q843 L844 T845 L852L817-L841 HydrophobicContact CD1-CD2 3.84Å; L817-L841 HydrophobicContact CD2-CD2 3.89Å; A831-L841 HydrophobicContact CB-CD2 3.8Å; L832-L841 HydrophobicContact CD2-CD1 3.48Å; L832-L841 VanDerWaalsContact CD2-CD1 3.48Å; L832-L841 HydrophobicContact CG-CD1 3.83Å; M836-L841 HydrophobicContact CG-CD2 4.44Å; M836-L841 HydrophobicContact CG-CG 4.06Å; M836-L841 HydrophobicContact SD-CD2 3.6Å; M836-L841 VanDerWaalsContact SD-CD2 3.6Å; M836-L841 HydrophobicContact SD-CG 3.8Å; S837-L841 PolarHBondContact O-N 2.97Å; L838-L841 PolarHBondContact O-N 3.33Å; L841-Q843 PolarHBondContact O-N 2.94Å; L841-L844 PolarHBondContact O-N 3.36Å; L841-T845 VanDerWaalsContact O-CB 3.31Å; L841-T845 WeakPolarHBondContact O-CB 3.49Å; L841-T845 WeakPolarHBondContact O-CG2 3.3Å; L841-T845 PolarHBondContact O-N 2.79Å; L841-T845 PolarHBondContact O-OG1 3.45Å; L841-L852 HydrophobicContact CB-CD1 3.91Å; L841-L852 HydrophobicContact CB-CD2 4.38Å
842H95.6Very high94.5Very high35 Ų3545.5 Ų45.516%0.16223%0.234CC..Hα-helixtrans-59.8-44.7177177.474.1000111.6L838 E840 L844 T845 N846 I847 Y849 L852L838-H842 VanDerWaalsContact O-CB 3.29Å; L838-H842 WeakPolarHBondContact O-CB 3.42Å; L838-H842 PolarHBondContact O-N 2.91Å; E840-H842 PolarHBondContact O-N 3.48Å; H842-L844 VanDerWaalsContact C-N 3.31Å; H842-L844 PolarHBondContact O-N 2.81Å; H842-T845 PolarHBondContact O-N 3.12Å; H842-N846 WeakPolarHBondContact O-CA 3.33Å; H842-N846 PolarHBondContact O-N 3.11Å; H842-I847 PolarHBondContact ND1-O 2.95Å; H842-Y849 HydrophobicContact CB-CD1 4.19Å; H842-Y849 HydrophobicContact CB-CD2 4.47Å; H842-Y849 HydrophobicContact CB-CE1 3.7Å; H842-Y849 HydrophobicContact CB-CE2 3.99Å; H842-Y849 AromaticContact CD2-CE2 3.32Å; H842-Y849 WeakPolarHBondContact CD2-CE2 3.47Å; H842-Y849 AromaticContact CD2-CZ 3.52Å; H842-Y849 PolarHBondContact CD2-OH 3.36Å; H842-Y849 AromaticContact CE1-CE2 3.94Å; H842-Y849 AromaticContact CG-CD2 3.94Å; H842-Y849 AromaticContact CG-CE2 3.44Å; H842-Y849 VanDerWaalsContact CG-CE2 3.44Å; H842-Y849 AromaticContact CG-CZ 3.53Å; H842-Y849 AromaticContact ND1-CD2 3.92Å; H842-Y849 AromaticContact ND1-CE2 3.83Å; H842-Y849 AromaticContact NE2-CE2 3.64Å; H842-L852 HydrophobicContact CB-CD1 3.95Å
843Q94.5Very high94.5Very high117 Ų11745.8 Ų45.855%0.54724%0.235SC..Hα-helixtrans-62.2-35.9178.2-76174.7-9.300113.3R839 E840 L841R839-Q843 WeakPolarHBondContact O-CB 3.47Å; R839-Q843 VanDerWaalsContact O-CG 3.23Å; R839-Q843 WeakPolarHBondContact O-CG 3.27Å; R839-Q843 PolarHBondContact O-N 3.17Å; E840-Q843 PolarHBondContact O-N 2.87Å; L841-Q843 PolarHBondContact O-N 2.94Å
844L94.2Very high94.7Very high49 Ų4942.1 Ų42.126%0.25722%0.218SC..Hα-helixtrans-80-33.8179.7-68.9169.8000112.7A814 L817 S818 M836 E840 L841 H842A814-L844 HydrophobicContact CB-CD1 4.37Å; A814-L844 HydrophobicContact CB-CD2 4.39Å; L817-L844 HydrophobicContact CB-CB 4.08Å; L817-L844 HydrophobicContact CB-CD1 4.24Å; L817-L844 HydrophobicContact CD1-CD1 3.83Å; S818-L844 WeakPolarHBondContact CA-O 3.47Å; S818-L844 WeakPolarHBondContact OG-CD2 3.27Å; S818-L844 PolarHBondContact OG-O 2.73Å; M836-L844 HydrophobicContact SD-CD1 4.22Å; E840-L844 WeakPolarHBondContact O-CG 3.21Å; E840-L844 PolarHBondContact O-N 3.45Å; L841-L844 PolarHBondContact O-N 3.36Å; H842-L844 VanDerWaalsContact C-N 3.31Å; H842-L844 PolarHBondContact O-N 2.81Å
845T95.1Very high95.1Very high3 Ų338.9 Ų38.92%0.01820%0.201CC..Hα-helixtrans-107.6-24.7-168.163.70000114.5P633 L817 R824 L841 H842 I847P633-T845 VanDerWaalsContact CG-O 3.3Å; P633-T845 WeakPolarHBondContact CG-O 3.41Å; L817-T845 HydrophobicContact CB-CG2 4.17Å; L817-T845 HydrophobicContact CD2-CG2 4.14Å; R824-T845 VanDerWaalsContact NH2-CA 3.34Å; R824-T845 VanDerWaalsContact NH2-CB 3.26Å; R824-T845 PolarHBondContact NH2-O 2.92Å; L841-T845 VanDerWaalsContact O-CB 3.31Å; L841-T845 WeakPolarHBondContact O-CB 3.49Å; L841-T845 WeakPolarHBondContact O-CG2 3.3Å; L841-T845 PolarHBondContact O-N 2.79Å; L841-T845 PolarHBondContact O-OG1 3.45Å; H842-T845 PolarHBondContact O-N 3.12Å; T845-I847 HydrophobicContact CG2-CD1 4.21Å; T845-I847 PolarHBondContact O-N 2.94Å; T845-I847 PolarHBondContact OG1-N 2.93Å
846N94.7Very high95.4Very high73 Ų7339 Ų3939%0.3918%0.184SC..  trans55.915-163.9-57.9-65.5000115P633 H842P633-N846 HydrophobicContact CB-CB 4.12Å; P633-N846 HydrophobicContact CG-CB 3.74Å; H842-N846 WeakPolarHBondContact O-CA 3.33Å; H842-N846 PolarHBondContact O-N 3.11Å
847I96.5Very high95.5Very high1 Ų139 Ų391%0.00518%0.182CC..  trans-67.9137.8173.2-66.2164.5000108.7F631 I828 H842 T845 Y849 F851 L852F631-I847 HydrophobicContact CD1-CD1 4.39Å; F631-I847 HydrophobicContact CD2-CG2 4.42Å; F631-I847 HydrophobicContact CE1-CD1 3.52Å; F631-I847 HydrophobicContact CE1-CG1 4.2Å; F631-I847 HydrophobicContact CE1-CG2 4.4Å; F631-I847 HydrophobicContact CE2-CG2 4.04Å; F631-I847 HydrophobicContact CZ-CD1 3.75Å; F631-I847 HydrophobicContact CZ-CG1 4.49Å; F631-I847 HydrophobicContact CZ-CG2 4.01Å; I828-I847 HydrophobicContact CD1-CD1 3.55Å; H842-I847 PolarHBondContact ND1-O 2.95Å; T845-I847 HydrophobicContact CG2-CD1 4.21Å; T845-I847 PolarHBondContact O-N 2.94Å; T845-I847 PolarHBondContact OG1-N 2.93Å; I847-Y849 PolarHBondContact O-N 3.41Å; I847-F851 HydrophobicContact CG2-CB 3.92Å; I847-F851 HydrophobicContact CG2-CD2 4.43Å; I847-L852 HydrophobicContact CB-CD1 4.49Å; I847-L852 HydrophobicContact CB-CD2 4.16Å; I847-L852 HydrophobicContact CB-CG 4.27Å; I847-L852 HydrophobicContact CG2-CD2 3.91Å; I847-L852 HydrophobicContact CG2-CG 3.91Å
848D95.2Very high95.7Very high20 Ų2036.6 Ų36.611%0.10717%0.165CC..  trans-58139.3-179.9-165.5-72.5000111.4K608 T649 W850 F851 L852K608-D848 WeakPolarHBondContact CE-OD2 3.42Å; K608-D848 IonicContact NZ-OD2 3.92Å; K608-D848 PolarHBondContact NZ-OD2 2.88Å; T649-D848 HydrophobicContact CG2-CB 4.31Å; D848-W850 PolarHBondContact O-N 3.29Å; D848-W850 WeakPolarHBondContact OD1-CB 3.45Å; D848-W850 PolarHBondContact OD1-N 3.06Å; D848-F851 HydrophobicContact CB-CD2 3.9Å; D848-F851 HydrophobicContact CB-CE2 4.37Å; D848-F851 PolarHBondContact O-N 2.93Å; D848-F851 VanDerWaalsContact O-N 3.15Å; D848-L852 PolarHBondContact O-N 3.43Å
849Y95Very high95.7Very high57 Ų5735.7 Ų35.722%0.22416%0.16CC..Hα-helixtrans-56.8-32.6-179.3-79.2-78.9000112.9F109 L838 R839 H842 I847 F851 L852 E853F109-Y849 HydrophobicContact CB-CG 4.45Å; F109-Y849 HydrophobicContact CD1-CD1 4.35Å; F109-Y849 HydrophobicContact CD1-CD2 4.16Å; F109-Y849 AromaticContact CD1-CG 3.73Å; F109-Y849 HydrophobicContact CD1-CG 3.73Å; F109-Y849 HydrophobicContact CE1-CD1 4.26Å; F109-Y849 HydrophobicContact CE1-CG 4.09Å; F109-Y849 HydrophobicContact CG-CG 4.08Å; L838-Y849 HydrophobicContact CB-CD1 4.15Å; L838-Y849 HydrophobicContact CB-CE1 4.33Å; R839-Y849 HydrophobicContact CB-CE1 4.45Å; H842-Y849 HydrophobicContact CB-CD1 4.19Å; H842-Y849 HydrophobicContact CB-CD2 4.47Å; H842-Y849 HydrophobicContact CB-CE1 3.7Å; H842-Y849 HydrophobicContact CB-CE2 3.99Å; H842-Y849 AromaticContact CD2-CE2 3.32Å; H842-Y849 WeakPolarHBondContact CD2-CE2 3.47Å; H842-Y849 AromaticContact CD2-CZ 3.52Å; H842-Y849 PolarHBondContact CD2-OH 3.36Å; H842-Y849 AromaticContact CE1-CE2 3.94Å; H842-Y849 AromaticContact CG-CD2 3.94Å; H842-Y849 AromaticContact CG-CE2 3.44Å; H842-Y849 VanDerWaalsContact CG-CE2 3.44Å; H842-Y849 AromaticContact CG-CZ 3.53Å; H842-Y849 AromaticContact ND1-CD2 3.92Å; H842-Y849 AromaticContact ND1-CE2 3.83Å; H842-Y849 AromaticContact NE2-CE2 3.64Å; I847-Y849 PolarHBondContact O-N 3.41Å; Y849-F851 PolarHBondContact O-N 2.76Å; Y849-L852 PolarHBondContact O-N 3.18Å; Y849-E853 WeakPolarHBondContact O-CB 3.47Å; Y849-E853 PolarHBondContact O-N 2.82Å
850W95Very high95.7Very high2 Ų232.7 Ų32.71%0.00816%0.156CC..Hα-helixtrans-60.1-46.3178.2-176.589.3000111.3L67 F109 Q648 T649 F783 D848 L852 E853 K854L67-W850 HydrophobicContact CD1-CH2 4.43Å; L67-W850 HydrophobicContact CD1-CZ2 4.43Å; F109-W850 HydrophobicContact CD2-CB 4.39Å; Q648-W850 HydrophobicContact CB-CD2 4.24Å; Q648-W850 HydrophobicContact CB-CE3 3.73Å; Q648-W850 HydrophobicContact CB-CH2 3.58Å; Q648-W850 HydrophobicContact CB-CZ2 4.08Å; Q648-W850 HydrophobicContact CB-CZ3 3.4Å; Q648-W850 VanDerWaalsContact CB-CZ3 3.4Å; Q648-W850 HydrophobicContact CG-CE3 4.38Å; Q648-W850 HydrophobicContact CG-CH2 3.57Å; Q648-W850 HydrophobicContact CG-CZ2 4.42Å; Q648-W850 HydrophobicContact CG-CZ3 3.56Å; T649-W850 HydrophobicContact CG2-CB 3.92Å; T649-W850 HydrophobicContact CG2-CD2 4.48Å; T649-W850 HydrophobicContact CG2-CE3 4.45Å; T649-W850 HydrophobicContact CG2-CG 4.29Å; F783-W850 HydrophobicContact CB-CH2 3.88Å; F783-W850 HydrophobicContact CB-CZ3 4.41Å; F783-W850 HydrophobicContact CD2-CH2 4.42Å; F783-W850 HydrophobicContact CD2-CZ3 4.22Å; F783-W850 HydrophobicContact CG-CH2 4.11Å; F783-W850 HydrophobicContact CG-CZ3 4.14Å; D848-W850 PolarHBondContact O-N 3.29Å; D848-W850 WeakPolarHBondContact OD1-CB 3.45Å; D848-W850 PolarHBondContact OD1-N 3.06Å; W850-L852 PolarHBondContact O-N 3.23Å; W850-E853 PolarHBondContact O-N 3.36Å; W850-K854 HydrophobicContact CD2-CG 4.23Å; W850-K854 HydrophobicContact CE3-CG 4.28Å; W850-K854 HydrophobicContact CH2-CG 4.18Å; W850-K854 HydrophobicContact CZ2-CD 4.43Å; W850-K854 HydrophobicContact CZ2-CG 4.13Å; W850-K854 HydrophobicContact CZ3-CG 4.24Å; W850-K854 VanDerWaalsContact O-CG 3.27Å; W850-K854 WeakPolarHBondContact O-CG 2.87Å; W850-K854 PolarHBondContact O-N 3.46Å; W850-K854 VanDerWaalsContact O-N 3.11Å
851F96.4Very high95.8Very high1 Ų128.5 Ų28.50%0.00414%0.137CC..Hα-helixtrans-63.2-43.7176-67.7-61.9000111.4E629 F631 V644 Q648 T649 F783 I847 D848 Y849 E853 K854 L855E629-F851 HydrophobicContact CG-CE2 4.43Å; E629-F851 HydrophobicContact CG-CZ 4.33Å; F631-F851 HydrophobicContact CD2-CB 3.75Å; F631-F851 AromaticContact CD2-CD1 3.9Å; F631-F851 HydrophobicContact CD2-CD1 3.9Å; F631-F851 HydrophobicContact CD2-CD2 4.23Å; F631-F851 AromaticContact CD2-CG 3.71Å; F631-F851 HydrophobicContact CD2-CG 3.71Å; F631-F851 HydrophobicContact CE2-CB 3.72Å; F631-F851 HydrophobicContact CE2-CG 4.22Å; V644-F851 HydrophobicContact CB-CE1 4.46Å; V644-F851 HydrophobicContact CG2-CE1 3.83Å; V644-F851 HydrophobicContact CG2-CZ 4.26Å; Q648-F851 HydrophobicContact CB-CE1 4.32Å; Q648-F851 HydrophobicContact CB-CZ 4.32Å; Q648-F851 HydrophobicContact CG-CE1 4.24Å; T649-F851 HydrophobicContact CG2-CE2 4.33Å; F783-F851 HydrophobicContact CE1-CD1 4.41Å; F783-F851 AromaticContact CE2-CD1 3.89Å; F783-F851 HydrophobicContact CE2-CD1 3.89Å; F783-F851 HydrophobicContact CE2-CE1 4.01Å; F783-F851 AromaticContact CZ-CD1 3.8Å; F783-F851 HydrophobicContact CZ-CD1 3.8Å; F783-F851 HydrophobicContact CZ-CE1 4.38Å; I847-F851 HydrophobicContact CG2-CB 3.92Å; I847-F851 HydrophobicContact CG2-CD2 4.43Å; D848-F851 HydrophobicContact CB-CD2 3.9Å; D848-F851 HydrophobicContact CB-CE2 4.37Å; D848-F851 PolarHBondContact O-N 2.93Å; D848-F851 VanDerWaalsContact O-N 3.15Å; Y849-F851 PolarHBondContact O-N 2.76Å; F851-E853 PolarHBondContact O-N 2.93Å; F851-K854 PolarHBondContact O-N 3.05Å; F851-L855 VanDerWaalsContact O-CG 3.31Å; F851-L855 WeakPolarHBondContact O-CG 3.32Å; F851-L855 PolarHBondContact O-N 3.3Å
852L97.1Very high95.7Very high0 Ų028.8 Ų28.80%014%0.138CC..Hα-helixtrans-63.7-40.4-179.9-63.4175.6000112.5I828 L838 L841 H842 I847 D848 Y849 W850 L855 E856I828-L852 HydrophobicContact CG2-CD2 4.28Å; L838-L852 HydrophobicContact CD2-CB 4.08Å; L841-L852 HydrophobicContact CB-CD1 3.91Å; L841-L852 HydrophobicContact CB-CD2 4.38Å; H842-L852 HydrophobicContact CB-CD1 3.95Å; I847-L852 HydrophobicContact CB-CD1 4.49Å; I847-L852 HydrophobicContact CB-CD2 4.16Å; I847-L852 HydrophobicContact CB-CG 4.27Å; I847-L852 HydrophobicContact CG2-CD2 3.91Å; I847-L852 HydrophobicContact CG2-CG 3.91Å; D848-L852 PolarHBondContact O-N 3.43Å; Y849-L852 PolarHBondContact O-N 3.18Å; W850-L852 PolarHBondContact O-N 3.23Å; L852-L855 PolarHBondContact O-N 3.32Å; L852-E856 PolarHBondContact O-N 3.17Å
853E95.1Very high95.6Very high18 Ų1829.4 Ų29.48%0.08415%0.147CC..Hα-helixtrans-61.7-45.1174.9-170.9-139153.500111F109 L838 Y849 W850 F851 L855 E856 R857F109-E853 HydrophobicContact CE2-CB 4.13Å; F109-E853 HydrophobicContact CE2-CG 4.44Å; L838-E853 HydrophobicContact CD1-CB 4.13Å; Y849-E853 WeakPolarHBondContact O-CB 3.47Å; Y849-E853 PolarHBondContact O-N 2.82Å; W850-E853 PolarHBondContact O-N 3.36Å; F851-E853 PolarHBondContact O-N 2.93Å; E853-L855 VanDerWaalsContact C-N 3.31Å; E853-L855 PolarHBondContact O-N 2.96Å; E853-E856 WeakPolarHBondContact O-CB 3.38Å; E853-E856 PolarHBondContact O-N 2.86Å; E853-R857 WeakPolarHBondContact O-CG 3.46Å; E853-R857 PolarHBondContact O-N 3.21Å; E853-R857 VanDerWaalsContact O-N 3.13Å; E853-R857 IonicContact OE1-CZ 2.62Å; E853-R857 IonicContact OE1-NE 2.73Å; E853-R857 PolarHBondContact OE1-NE 2.9Å; E853-R857 VanDerWaalsContact OE1-NE 3.11Å; E853-R857 IonicContact OE1-NH2 3.48Å; E853-R857 PolarHBondContact OE1-NH2 2.86Å
854K95.7Very high95.5Very high1 Ų126.6 Ų26.60%0.00414%0.135CC..Hα-helixtrans-61.5-38.3176.9-68.3-67.9-170.5161.40112.6E103 F783 E784 W850 F851 R857E103-K854 IonicContact OE1-NZ 2.93Å; E103-K854 PolarHBondContact OE1-NZ 2.99Å; E103-K854 IonicContact OE2-NZ 3.93Å; F783-K854 HydrophobicContact CD1-CB 3.59Å; F783-K854 HydrophobicContact CD1-CG 4.15Å; F783-K854 HydrophobicContact CE1-CB 3.96Å; E784-K854 VanDerWaalsContact OE1-CD 3.27Å; E784-K854 WeakPolarHBondContact OE1-CD 3.25Å; E784-K854 IonicContact OE1-NZ 3.89Å; E784-K854 IonicContact OE2-NZ 2.6Å; W850-K854 HydrophobicContact CD2-CG 4.23Å; W850-K854 HydrophobicContact CE3-CG 4.28Å; W850-K854 HydrophobicContact CH2-CG 4.18Å; W850-K854 HydrophobicContact CZ2-CD 4.43Å; W850-K854 HydrophobicContact CZ2-CG 4.13Å; W850-K854 HydrophobicContact CZ3-CG 4.24Å; W850-K854 VanDerWaalsContact O-CG 3.27Å; W850-K854 WeakPolarHBondContact O-CG 2.87Å; W850-K854 PolarHBondContact O-N 3.46Å; W850-K854 VanDerWaalsContact O-N 3.11Å; F851-K854 PolarHBondContact O-N 3.05Å; K854-R857 PolarHBondContact O-N 3.16Å
855L97.5Very high95.4Very high0 Ų024.2 Ų24.20%012%0.123CC..Hα-helixtrans-67.6-39.2173.9-67.2-179000112.7F631 F783 F787 F801 I828 L832 F851 L852 E853 R857 I858 I859F631-L855 HydrophobicContact CE2-CD1 3.75Å; F631-L855 HydrophobicContact CZ-CD1 3.79Å; F783-L855 HydrophobicContact CE1-CD2 4.21Å; F787-L855 HydrophobicContact CD1-CD2 3.62Å; F787-L855 HydrophobicContact CE1-CD2 3.25Å; F787-L855 HydrophobicContact CE2-CD2 4.35Å; F787-L855 HydrophobicContact CG-CD2 4.3Å; F787-L855 HydrophobicContact CZ-CD2 3.68Å; F801-L855 HydrophobicContact CD1-CD2 4.44Å; F801-L855 HydrophobicContact CD2-CD2 4.22Å; F801-L855 HydrophobicContact CE1-CB 3.8Å; F801-L855 HydrophobicContact CE1-CD2 4.19Å; F801-L855 HydrophobicContact CE1-CG 4.43Å; F801-L855 HydrophobicContact CE2-CD1 4.09Å; F801-L855 HydrophobicContact CE2-CD2 3.91Å; F801-L855 HydrophobicContact CE2-CG 4.42Å; F801-L855 HydrophobicContact CG-CD2 4.45Å; F801-L855 HydrophobicContact CZ-CB 3.78Å; F801-L855 HydrophobicContact CZ-CD1 3.85Å; F801-L855 HydrophobicContact CZ-CD2 3.91Å; F801-L855 HydrophobicContact CZ-CG 4.05Å; I828-L855 HydrophobicContact CG2-CD1 4.07Å; L832-L855 HydrophobicContact CD1-CB 3.92Å; F851-L855 VanDerWaalsContact O-CG 3.31Å; F851-L855 WeakPolarHBondContact O-CG 3.32Å; F851-L855 PolarHBondContact O-N 3.3Å; L852-L855 PolarHBondContact O-N 3.32Å; E853-L855 VanDerWaalsContact C-N 3.31Å; E853-L855 PolarHBondContact O-N 2.96Å; L855-R857 VanDerWaalsContact C-N 3.29Å; L855-R857 PolarHBondContact O-N 3.28Å; L855-I858 HydrophobicContact CD2-CD1 4.28Å; L855-I858 WeakPolarHBondContact O-CB 3.26Å; L855-I858 PolarHBondContact O-N 3Å; L855-I859 PolarHBondContact O-N 3.1Å
856E97Very high95.2Very high66 Ų6627.6 Ų27.631%0.30814%0.143SC..Hα-helixtrans-59.5-40176.1-174.3179.7-137.700111.6L832 L838 L852 E853 I858 I859 L860L832-E856 HydrophobicContact CD2-CB 4Å; L832-E856 HydrophobicContact CD2-CG 4.22Å; L838-E856 HydrophobicContact CD2-CB 4.16Å; L852-E856 PolarHBondContact O-N 3.17Å; E853-E856 WeakPolarHBondContact O-CB 3.38Å; E853-E856 PolarHBondContact O-N 2.86Å; E856-I858 PolarHBondContact O-N 3.14Å; E856-I859 PolarHBondContact O-N 2.81Å; E856-L860 HydrophobicContact CG-CD1 4.14Å; E856-L860 HydrophobicContact CG-CG 4.21Å; E856-L860 WeakPolarHBondContact O-CG 3.37Å; E856-L860 PolarHBondContact O-N 3.17Å
857R95.5Very high94.9Very high39 Ų3933.5 Ų33.515%0.14716%0.16CC..Hα-helixtrans-56.8-36.2177-68.6173.5178.9-157.4-0.4113.1E103 E784 E853 K854 L855 L860 L861 F883E103-R857 IonicContact OE1-NH1 2.74Å; E103-R857 PolarHBondContact OE1-NH1 2.88Å; E784-R857 VanDerWaalsContact OE1-CD 3.26Å; E784-R857 WeakPolarHBondContact OE1-CD 3.49Å; E784-R857 IonicContact OE1-NH1 3.65Å; E853-R857 WeakPolarHBondContact O-CG 3.46Å; E853-R857 PolarHBondContact O-N 3.21Å; E853-R857 VanDerWaalsContact O-N 3.13Å; E853-R857 IonicContact OE1-CZ 2.62Å; E853-R857 IonicContact OE1-NE 2.73Å; E853-R857 PolarHBondContact OE1-NE 2.9Å; E853-R857 VanDerWaalsContact OE1-NE 3.11Å; E853-R857 IonicContact OE1-NH2 3.48Å; E853-R857 PolarHBondContact OE1-NH2 2.86Å; K854-R857 PolarHBondContact O-N 3.16Å; L855-R857 VanDerWaalsContact C-N 3.29Å; L855-R857 PolarHBondContact O-N 3.28Å; R857-L860 PolarHBondContact O-N 2.78Å; R857-L861 PolarHBondContact O-N 2.82Å; R857-F883 HydrophobicContact CB-CE2 4.09Å
858I97.5Very high94.3Very high0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-64.9-46176.2-59.4167.9000110.1E784 F787 Q788 F801 L855 E856 L860 L861 Q862 F885E784-I858 HydrophobicContact CB-CD1 4.22Å; E784-I858 HydrophobicContact CB-CG1 4.06Å; E784-I858 HydrophobicContact CG-CD1 4.28Å; E784-I858 HydrophobicContact CG-CG1 3.92Å; F787-I858 HydrophobicContact CD1-CD1 4.37Å; Q788-I858 HydrophobicContact CG-CD1 3.86Å; Q788-I858 HydrophobicContact CG-CG2 4.39Å; F801-I858 HydrophobicContact CB-CD1 4.24Å; F801-I858 HydrophobicContact CB-CG2 4.05Å; F801-I858 HydrophobicContact CD1-CB 4.18Å; F801-I858 HydrophobicContact CD1-CD1 4.37Å; F801-I858 HydrophobicContact CD1-CG2 4.18Å; L855-I858 HydrophobicContact CD2-CD1 4.28Å; L855-I858 WeakPolarHBondContact O-CB 3.26Å; L855-I858 PolarHBondContact O-N 3Å; E856-I858 PolarHBondContact O-N 3.14Å; I858-L860 PolarHBondContact O-N 3.42Å; I858-L861 PolarHBondContact O-N 2.92Å; I858-Q862 WeakPolarHBondContact O-CB 3.48Å; I858-Q862 PolarHBondContact O-N 2.87Å; I858-F885 HydrophobicContact CG2-CE2 3.96Å; I858-F885 HydrophobicContact CG2-CZ 3.8Å
859I96.8Very high93.5Very high6 Ų636.7 Ų36.73%0.03118%0.181CC..Hα-helixtrans-65.7-37.7178.8-60.8-61000111.8F801 P803 A829 L832 Q833 L855 E856 Q862 S863F801-I859 HydrophobicContact CD1-CD1 3.81Å; F801-I859 HydrophobicContact CD1-CG1 4.05Å; F801-I859 HydrophobicContact CE1-CD1 3.89Å; F801-I859 HydrophobicContact CE1-CG1 3.79Å; P803-I859 HydrophobicContact CG-CD1 4.4Å; A829-I859 HydrophobicContact CB-CD1 4.17Å; L832-I859 HydrophobicContact CB-CB 4.44Å; L832-I859 HydrophobicContact CB-CG1 3.92Å; L832-I859 HydrophobicContact CB-CG2 4.44Å; L832-I859 HydrophobicContact CD1-CG1 4.23Å; Q833-I859 HydrophobicContact CB-CG2 4.32Å; L855-I859 PolarHBondContact O-N 3.1Å; E856-I859 PolarHBondContact O-N 2.81Å; I859-Q862 PolarHBondContact O-N 2.83Å; I859-S863 WeakPolarHBondContact O-CB 3.42Å; I859-S863 PolarHBondContact O-N 2.82Å; I859-S863 PolarHBondContact O-OG 2.95Å
860L95.8Very high92.3Very high103 Ų10338.5 Ų38.554%0.53920%0.202SC..Hα-helixtrans-63.6-43174.3-68.5175.4000111.6E856 R857 I858 S863 L864E856-L860 HydrophobicContact CG-CD1 4.14Å; E856-L860 HydrophobicContact CG-CG 4.21Å; E856-L860 WeakPolarHBondContact O-CG 3.37Å; E856-L860 PolarHBondContact O-N 3.17Å; R857-L860 PolarHBondContact O-N 2.78Å; I858-L860 PolarHBondContact O-N 3.42Å; L860-S863 WeakPolarHBondContact O-CB 3.35Å; L860-S863 PolarHBondContact O-N 3.01Å; L860-L864 PolarHBondContact O-N 2.97Å
861L95.1Very high91Very high8 Ų849.1 Ų49.14%0.04224%0.242CC..Hα-helixtrans-69-39.7177.5-173.655000112.1R857 I858 S863 L864 L865 L876 K879 A880 F883 F885R857-L861 PolarHBondContact O-N 2.82Å; I858-L861 PolarHBondContact O-N 2.92Å; L861-S863 VanDerWaalsContact C-N 3.3Å; L861-S863 PolarHBondContact O-N 2.95Å; L861-L864 HydrophobicContact CD1-CD2 4.1Å; L861-L864 WeakPolarHBondContact O-CB 3.05Å; L861-L864 PolarHBondContact O-N 2.87Å; L861-L864 VanDerWaalsContact O-N 3.16Å; L861-L865 WeakPolarHBondContact O-CG 3.47Å; L861-L865 PolarHBondContact O-N 2.85Å; L861-L876 HydrophobicContact CD1-CD1 3.74Å; L861-K879 HydrophobicContact CD2-CG 4.27Å; L861-A880 HydrophobicContact CD2-CB 4.46Å; L861-F883 HydrophobicContact CB-CD2 4.31Å; L861-F883 HydrophobicContact CD2-CB 3.91Å; L861-F883 HydrophobicContact CD2-CD2 3.39Å; L861-F883 HydrophobicContact CD2-CE2 4.04Å; L861-F883 HydrophobicContact CD2-CG 3.73Å; L861-F883 HydrophobicContact CG-CD2 4.5Å; L861-F885 HydrophobicContact CB-CE2 4.33Å; L861-F885 HydrophobicContact CB-CZ 4.31Å; L861-F885 HydrophobicContact CD2-CD2 4.32Å; L861-F885 HydrophobicContact CD2-CE2 3.88Å; L861-F885 HydrophobicContact CG-CE2 4.2Å; L861-F885 HydrophobicContact CG-CZ 4.38Å
862Q94.2Very high90.1Very high5 Ų549.3 Ų49.32%0.02324%0.244CC..Hα-helixtrans-56.1-45.7170.6165.1176.6-20.600111.6I858 I859 L864 L865 T866 F885 Y893I858-Q862 WeakPolarHBondContact O-CB 3.48Å; I858-Q862 PolarHBondContact O-N 2.87Å; I859-Q862 PolarHBondContact O-N 2.83Å; Q862-L864 VanDerWaalsContact C-N 3.28Å; Q862-L864 PolarHBondContact O-N 3.34Å; Q862-L865 PolarHBondContact O-N 3.26Å; Q862-T866 WeakPolarHBondContact O-CB 3.47Å; Q862-T866 PolarHBondContact O-N 3.49Å; Q862-T866 PolarHBondContact O-OG1 2.94Å; Q862-F885 HydrophobicContact CB-CE1 4.22Å; Q862-F885 HydrophobicContact CB-CZ 4.25Å; Q862-Y893 HydrophobicContact CB-CD2 4.39Å; Q862-Y893 HydrophobicContact CB-CE2 4.14Å; Q862-Y893 VanDerWaalsContact CD-CE1 3.5Å; Q862-Y893 HydrophobicContact CG-CD1 3.91Å; Q862-Y893 HydrophobicContact CG-CD2 3.9Å; Q862-Y893 HydrophobicContact CG-CE1 3.66Å; Q862-Y893 HydrophobicContact CG-CE2 3.58Å; Q862-Y893 HydrophobicContact CG-CG 4.07Å; Q862-Y893 VanDerWaalsContact NE2-CE1 3.25Å; Q862-Y893 VanDerWaalsContact NE2-CZ 3.31Å; Q862-Y893 PolarHBondContact NE2-OH 3Å; Q862-Y893 VanDerWaalsContact NE2-OH 3.15Å; Q862-Y893 PolarHBondContact OE1-OH 3.27Å
863S93.2Very high89.6Confident49 Ų4953.9 Ų53.934%0.34327%0.268SS..Hα-helixtrans-64.2-34.9178-61.90000112I859 L860 L861 R867I859-S863 WeakPolarHBondContact O-CB 3.42Å; I859-S863 PolarHBondContact O-N 2.82Å; I859-S863 PolarHBondContact O-OG 2.95Å; L860-S863 WeakPolarHBondContact O-CB 3.35Å; L860-S863 PolarHBondContact O-N 3.01Å; L861-S863 VanDerWaalsContact C-N 3.3Å; L861-S863 PolarHBondContact O-N 2.95Å; S863-R867 WeakPolarHBondContact O-CB 3.35Å; S863-R867 PolarHBondContact O-N 2.91Å; S863-R867 VanDerWaalsContact O-N 3.1Å
864L92.6Very high89.5Confident57 Ų5755 Ų5530%0.29828%0.28SS..Hα-helixtrans-68.5-45.9174.7-177.462.7000112.2L860 L861 Q862 T866 R867 N868 L876L860-L864 PolarHBondContact O-N 2.97Å; L861-L864 HydrophobicContact CD1-CD2 4.1Å; L861-L864 WeakPolarHBondContact O-CB 3.05Å; L861-L864 PolarHBondContact O-N 2.87Å; L861-L864 VanDerWaalsContact O-N 3.16Å; Q862-L864 VanDerWaalsContact C-N 3.28Å; Q862-L864 PolarHBondContact O-N 3.34Å; L864-T866 VanDerWaalsContact C-N 3.33Å; L864-T866 PolarHBondContact O-N 3.33Å; L864-R867 PolarHBondContact O-N 3.21Å; L864-N868 PolarHBondContact O-N 3.09Å; L864-L876 HydrophobicContact CD2-CD1 3.64Å; L864-L876 HydrophobicContact CG-CD1 4.15Å; L864-L876 HydrophobicContact CG-CD2 4.42Å
865L92.6Very high89.2Confident0 Ų058.2 Ų58.20%031%0.307CS..Hα-helixtrans-58.7-45.5174.9-72.1170.7000111.2L861 Q862 R867 N868 G869 T872 L876 A880 F885 I894L861-L865 WeakPolarHBondContact O-CG 3.47Å; L861-L865 PolarHBondContact O-N 2.85Å; Q862-L865 PolarHBondContact O-N 3.26Å; L865-R867 VanDerWaalsContact C-N 3.28Å; L865-R867 PolarHBondContact O-N 3.48Å; L865-N868 PolarHBondContact O-N 3.07Å; L865-G869 PolarHBondContact O-N 3.46Å; L865-T872 HydrophobicContact CD2-CG2 4.35Å; L865-L876 HydrophobicContact CD2-CD1 4.44Å; L865-L876 HydrophobicContact CD2-CD2 4.22Å; L865-L876 HydrophobicContact CD2-CG 4.03Å; L865-A880 HydrophobicContact CD1-CB 4.06Å; L865-A880 HydrophobicContact CD2-CB 4.31Å; L865-F885 HydrophobicContact CD1-CD1 3.9Å; L865-F885 HydrophobicContact CD1-CE1 3.89Å; L865-I894 HydrophobicContact CB-CG2 4.32Å; L865-I894 HydrophobicContact CD2-CG2 4.23Å
866T90.3Very high89Confident73 Ų7359 Ų5945%0.44831%0.311SS..Hα-helixtrans-61.2-37.4177.7-55.30000112Q862 L864 Y893Q862-T866 WeakPolarHBondContact O-CB 3.47Å; Q862-T866 PolarHBondContact O-N 3.49Å; Q862-T866 PolarHBondContact O-OG1 2.94Å; L864-T866 VanDerWaalsContact C-N 3.33Å; L864-T866 PolarHBondContact O-N 3.33Å; T866-Y893 WeakPolarHBondContact CA-O 3.43Å
867R88.7Confident88.9Confident197 Ų19755.9 Ų55.974%0.74330%0.297SS*.Hα-helixtrans-72.3-40.2179.5-168.9-173.5-51.8175.35.3112.9S863 L864 L865S863-R867 WeakPolarHBondContact O-CB 3.35Å; S863-R867 PolarHBondContact O-N 2.91Å; S863-R867 VanDerWaalsContact O-N 3.1Å; L864-R867 PolarHBondContact O-N 3.21Å; L865-R867 VanDerWaalsContact C-N 3.28Å; L865-R867 PolarHBondContact O-N 3.48Å
868N83.5Confident88.9Confident71 Ų7156.4 Ų56.438%0.3830%0.302SS..Hα-helixtrans-78.7-27.4-179.1-75.5-7.8000112.9L864 L865 R871 L876L864-N868 PolarHBondContact O-N 3.09Å; L865-N868 PolarHBondContact O-N 3.07Å; N868-R871 PolarHBondContact O-N 3.2Å; N868-L876 HydrophobicContact CB-CD2 4.22Å; N868-L876 WeakPolarHBondContact ND2-CD2 3.14Å
869G78.2Confident88.8Confident17 Ų1761.5 Ų61.518%0.17532%0.324CS..THydrogen-bonded Turntrans60.3-144179.100000112.4L865 R871 T872 I894L865-G869 PolarHBondContact O-N 3.46Å; G869-R871 PolarHBondContact O-N 2.83Å; G869-R871 VanDerWaalsContact O-N 3.08Å; G869-T872 PolarHBondContact O-OG1 2.83Å; G869-I894 CarbonylContact C-O 3.44Å; G869-I894 WeakPolarHBondContact O-CB 3.24Å
870S70.8Confident88.8Confident96 Ų9661.2 Ų61.267%0.67132%0.323SS*.THydrogen-bonded Turntrans-64.1-12.7-177.357.10000115T872 I894S870-T872 PolarHBondContact O-N 2.96Å; S870-T872 VanDerWaalsContact O-N 3.09Å; S870-I894 PolarHBondContact N-O 3.13Å
871R67.5Low88.8Confident225 Ų22556.4 Ų56.485%0.84930%0.298SS*.  trans-84.547.2175.3-66.8-176.2177.7-178.4-0.8112.2N868 G869 D873N868-R871 PolarHBondContact O-N 3.2Å; G869-R871 PolarHBondContact O-N 2.83Å; G869-R871 VanDerWaalsContact O-N 3.08Å; R871-D873 PolarHBondContact O-N 3.15Å
872T77Confident88.9Confident5 Ų558.7 Ų58.73%0.03131%0.306CS..  trans-80.7117.8176.2-56.10000109L865 G869 S870 L876 L877 I894 Q904L865-T872 HydrophobicContact CD2-CG2 4.35Å; G869-T872 PolarHBondContact O-OG1 2.83Å; S870-T872 PolarHBondContact O-N 2.96Å; S870-T872 VanDerWaalsContact O-N 3.09Å; T872-L876 HydrophobicContact CG2-CB 4.04Å; T872-L876 HydrophobicContact CG2-CD2 4.09Å; T872-L876 HydrophobicContact CG2-CG 3.99Å; T872-L877 HydrophobicContact CG2-CB 3.94Å; T872-L877 HydrophobicContact CG2-CD1 4.45Å; T872-I894 WeakPolarHBondContact OG1-CG2 3.08Å; T872-Q904 PolarHBondContact O-NE2 3.39Å; T872-Q904 VanDerWaalsContact O-NE2 3.13Å
873D87.6Confident89Confident95 Ų9559.9 Ų59.951%0.50831%0.311SS..  trans-77.5167.9174.365.321.2000111.7R871 A875 L876 L877R871-D873 PolarHBondContact O-N 3.15Å; D873-A875 PolarHBondContact O-N 3.37Å; D873-A875 PolarHBondContact OD1-N 2.76Å; D873-L876 PolarHBondContact O-N 3.08Å; D873-L876 WeakPolarHBondContact OD1-CB 3.39Å; D873-L876 PolarHBondContact OD1-N 3.19Å; D873-L877 WeakPolarHBondContact O-CB 3.11Å; D873-L877 PolarHBondContact O-N 3Å
874A91.7Very high89.2Confident41 Ų4157.8 Ų57.834%0.33930%0.297SS..Hα-helixtrans-59.6-35.2-178.200000112.7L878 F908 I910A874-L878 VanDerWaalsContact O-CB 3.3Å; A874-L878 WeakPolarHBondContact O-CB 3.37Å; A874-L878 PolarHBondContact O-N 3.02Å; A874-F908 HydrophobicContact CB-CB 4.1Å; A874-F908 HydrophobicContact CB-CD1 4.36Å; A874-F908 HydrophobicContact CB-CD2 3.75Å; A874-F908 HydrophobicContact CB-CE2 4.21Å; A874-F908 HydrophobicContact CB-CG 3.83Å; A874-I910 HydrophobicContact CB-CD1 4.38Å; A874-I910 WeakPolarHBondContact O-CD1 3.34Å
875A90.5Very high89.4Confident70 Ų7055.1 Ų55.158%0.57928%0.283SS*.Hα-helixtrans-69.1-45.8-178.600000112D873 K879D873-A875 PolarHBondContact O-N 3.37Å; D873-A875 PolarHBondContact OD1-N 2.76Å; A875-K879 WeakPolarHBondContact O-CB 3.38Å; A875-K879 PolarHBondContact O-N 3.03Å
876L93.2Very high89.6Confident16 Ų1655.3 Ų55.38%0.08428%0.284CS..Hα-helixtrans-67.7-38.6176.4-17958.8000111.6L861 L864 L865 N868 T872 D873 K879 A880L861-L876 HydrophobicContact CD1-CD1 3.74Å; L864-L876 HydrophobicContact CD2-CD1 3.64Å; L864-L876 HydrophobicContact CG-CD1 4.15Å; L864-L876 HydrophobicContact CG-CD2 4.42Å; L865-L876 HydrophobicContact CD2-CD1 4.44Å; L865-L876 HydrophobicContact CD2-CD2 4.22Å; L865-L876 HydrophobicContact CD2-CG 4.03Å; N868-L876 HydrophobicContact CB-CD2 4.22Å; N868-L876 WeakPolarHBondContact ND2-CD2 3.14Å; T872-L876 HydrophobicContact CG2-CB 4.04Å; T872-L876 HydrophobicContact CG2-CD2 4.09Å; T872-L876 HydrophobicContact CG2-CG 3.99Å; D873-L876 PolarHBondContact O-N 3.08Å; D873-L876 WeakPolarHBondContact OD1-CB 3.39Å; D873-L876 PolarHBondContact OD1-N 3.19Å; L876-K879 PolarHBondContact O-N 3.3Å; L876-A880 PolarHBondContact O-N 3.29Å
877L94.8Very high89.8Confident0 Ų051.9 Ų51.90%026%0.263CS..Hα-helixtrans-63.2-47.8176.3-171.859.9000110.8T872 D873 K879 A880 K881 I890 V901 Q904 R905 F908 I910T872-L877 HydrophobicContact CG2-CB 3.94Å; T872-L877 HydrophobicContact CG2-CD1 4.45Å; D873-L877 WeakPolarHBondContact O-CB 3.11Å; D873-L877 PolarHBondContact O-N 3Å; L877-K879 VanDerWaalsContact C-N 3.31Å; L877-K879 PolarHBondContact O-N 3.34Å; L877-A880 WeakPolarHBondContact O-CB 3.28Å; L877-A880 PolarHBondContact O-N 3.13Å; L877-K881 WeakPolarHBondContact O-CG 3.39Å; L877-K881 PolarHBondContact O-N 2.94Å; L877-I890 HydrophobicContact CD1-CD1 3.92Å; L877-I890 HydrophobicContact CD1-CG2 4.07Å; L877-V901 HydrophobicContact CD1-CG1 4.26Å; L877-Q904 HydrophobicContact CD2-CG 4.23Å; L877-R905 HydrophobicContact CD2-CB 4.18Å; L877-R905 HydrophobicContact CD2-CG 4.06Å; L877-R905 HydrophobicContact CG-CG 4.43Å; L877-F908 HydrophobicContact CD2-CD2 4.11Å; L877-I910 HydrophobicContact CB-CD1 4.08Å; L877-I910 HydrophobicContact CD2-CD1 4.09Å; L877-I910 HydrophobicContact CG-CD1 4.15Å
878L95.4Very high90Very high51 Ų5146.3 Ų46.327%0.26724%0.244SC..Hα-helixtrans-59.3-42.5175.1178.661.3000111.4A874 A880 K881 R882 I910A874-L878 VanDerWaalsContact O-CB 3.3Å; A874-L878 WeakPolarHBondContact O-CB 3.37Å; A874-L878 PolarHBondContact O-N 3.02Å; L878-A880 PolarHBondContact O-N 2.96Å; L878-K881 PolarHBondContact O-N 3.01Å; L878-R882 HydrophobicContact CD1-CG 4.33Å; L878-R882 HydrophobicContact CG-CG 4.45Å; L878-R882 WeakPolarHBondContact O-CB 3.45Å; L878-R882 WeakPolarHBondContact O-CG 3.34Å; L878-R882 PolarHBondContact O-N 3.16Å; L878-I910 HydrophobicContact CB-CD1 4.12Å; L878-I910 HydrophobicContact CB-CG1 4.45Å; L878-I910 HydrophobicContact CD1-CG2 4Å
879K94.8Very high90.5Very high106 Ų10642.9 Ų42.946%0.46123%0.226SC..Hα-helixtrans-60.6-43176.4-173.9171.3-176.6170.20112.4L861 A875 L876 L877 K881 R882 F883L861-K879 HydrophobicContact CD2-CG 4.27Å; A875-K879 WeakPolarHBondContact O-CB 3.38Å; A875-K879 PolarHBondContact O-N 3.03Å; L876-K879 PolarHBondContact O-N 3.3Å; L877-K879 VanDerWaalsContact C-N 3.31Å; L877-K879 PolarHBondContact O-N 3.34Å; K879-K881 VanDerWaalsContact C-N 3.34Å; K879-K881 PolarHBondContact O-N 3.35Å; K879-R882 PolarHBondContact O-N 2.92Å; K879-F883 PolarHBondContact O-N 3.23Å; K879-F883 VanDerWaalsContact O-N 3.11Å
880A96.6Very high91.3Very high0 Ų042.1 Ų42.10%022%0.218CC..Hα-helixtrans-59.9-44.3174.400000111.6L861 L865 L876 L877 L878 F883 G884 F885 I890L861-A880 HydrophobicContact CD2-CB 4.46Å; L865-A880 HydrophobicContact CD1-CB 4.06Å; L865-A880 HydrophobicContact CD2-CB 4.31Å; L876-A880 PolarHBondContact O-N 3.29Å; L877-A880 WeakPolarHBondContact O-CB 3.28Å; L877-A880 PolarHBondContact O-N 3.13Å; L878-A880 PolarHBondContact O-N 2.96Å; A880-F883 PolarHBondContact O-N 2.91Å; A880-G884 PolarHBondContact O-N 3.07Å; A880-F885 HydrophobicContact CB-CB 4.2Å; A880-F885 HydrophobicContact CB-CD2 4.46Å; A880-F885 HydrophobicContact CB-CG 4.31Å; A880-F885 WeakPolarHBondContact O-CB 3.18Å; A880-F885 VanDerWaalsContact O-CD2 3.31Å; A880-F885 WeakPolarHBondContact O-CD2 3.37Å; A880-F885 PolarHBondContact O-N 2.94Å; A880-I890 HydrophobicContact CB-CD1 4.06Å; A880-I890 HydrophobicContact CB-CG1 4.24Å
881K97.4Very high92.2Very high3 Ų337.8 Ų37.81%0.01319%0.188CC..Hα-helixtrans-66.5-39.1177-60.5-55.1-62.8-175.70113L877 L878 K879 F883 G884 F885 D887 I890 I910 Y935 E1011L877-K881 WeakPolarHBondContact O-CG 3.39Å; L877-K881 PolarHBondContact O-N 2.94Å; L878-K881 PolarHBondContact O-N 3.01Å; K879-K881 VanDerWaalsContact C-N 3.34Å; K879-K881 PolarHBondContact O-N 3.35Å; K881-F883 PolarHBondContact O-N 2.79Å; K881-G884 WeakPolarHBondContact O-CA 3.22Å; K881-G884 PolarHBondContact O-N 3.26Å; K881-F885 WeakPolarHBondContact CD-O 3.25Å; K881-F885 WeakPolarHBondContact CE-O 3.18Å; K881-F885 PolarHBondContact NZ-O 3.41Å; K881-D887 IonicContact NZ-OD1 2.84Å; K881-D887 PolarHBondContact NZ-OD1 3.39Å; K881-I890 HydrophobicContact CD-CD1 3.51Å; K881-I890 HydrophobicContact CG-CD1 4.38Å; K881-I910 HydrophobicContact CG-CG2 4.39Å; K881-Y935 HydrophobicContact CB-CD1 3.55Å; K881-Y935 HydrophobicContact CB-CD2 3.67Å; K881-Y935 HydrophobicContact CB-CE1 3.83Å; K881-Y935 HydrophobicContact CB-CE2 3.96Å; K881-Y935 HydrophobicContact CB-CG 3.45Å; K881-Y935 VanDerWaalsContact CB-CG 3.45Å; K881-Y935 VanDerWaalsContact CE-CE2 3.42Å; K881-Y935 VanDerWaalsContact CE-OH 3.22Å; K881-Y935 WeakPolarHBondContact CE-OH 3.39Å; K881-Y935 HydrophobicContact CG-CD1 4.18Å; K881-Y935 HydrophobicContact CG-CE1 4Å; K881-Y935 HydrophobicContact CG-CE2 4.47Å; K881-Y935 HydrophobicContact CG-CG 4.48Å; K881-E1011 IonicContact NZ-OE1 3.62Å; K881-E1011 PolarHBondContact NZ-OE1 3.13Å; K881-E1011 IonicContact NZ-OE2 3.63Å
882R96.3Very high93.2Very high56 Ų5630.3 Ų30.321%0.21116%0.162CC..Hα-helixtrans-62.8-24.1173.5-78.5-175.8175.9177.9-2.2113.9D131 N782 L878 K879 G884 Y935 N936D131-R882 IonicContact OD1-CZ 3.78Å; D131-R882 IonicContact OD1-NH1 2.93Å; D131-R882 PolarHBondContact OD1-NH1 3.45Å; D131-R882 IonicContact OD2-CZ 2.8Å; D131-R882 IonicContact OD2-NH1 3.62Å; D131-R882 PolarHBondContact OD2-NH1 2.77Å; N782-R882 PolarHBondContact ND2-O 2.89Å; N782-R882 PolarHBondContact OD1-O 2.78Å; L878-R882 HydrophobicContact CD1-CG 4.33Å; L878-R882 HydrophobicContact CG-CG 4.45Å; L878-R882 WeakPolarHBondContact O-CB 3.45Å; L878-R882 WeakPolarHBondContact O-CG 3.34Å; L878-R882 PolarHBondContact O-N 3.16Å; K879-R882 PolarHBondContact O-N 2.92Å; R882-G884 VanDerWaalsContact C-N 3.32Å; R882-Y935 VanDerWaalsContact CG-O 3.3Å; R882-Y935 WeakPolarHBondContact CG-O 3.36Å; R882-Y935 PolarHBondContact NE-O 3Å; R882-N936 WeakPolarHBondContact CB-OD1 3.36Å; R882-N936 WeakPolarHBondContact CD-OD1 3.12Å; R882-N936 VanDerWaalsContact CG-OD1 3.32Å; R882-N936 WeakPolarHBondContact CG-OD1 3.32Å; R882-N936 PolarHBondContact O-ND2 3.33Å
883F97Very high93.9Very high29 Ų2930.7 Ų30.713%0.12716%0.163CC..THydrogen-bonded Turntrans-902.8172.5-82.527.4000112.3E784 E785 Q788 R857 L861 K879 A880 K881 F885E784-F883 CarbonylContact C-O 3.52Å; E784-F883 VanDerWaalsContact C-O 3.28Å; E784-F883 HydrophobicContact CB-CB 4.36Å; E784-F883 HydrophobicContact CB-CD2 4.47Å; E784-F883 HydrophobicContact CB-CG 4.29Å; E784-F883 HydrophobicContact CG-CD2 4.44Å; E785-F883 PolarHBondContact N-O 2.9Å; Q788-F883 PolarHBondContact NE2-O 3Å; R857-F883 HydrophobicContact CB-CE2 4.09Å; L861-F883 HydrophobicContact CB-CD2 4.31Å; L861-F883 HydrophobicContact CD2-CB 3.91Å; L861-F883 HydrophobicContact CD2-CD2 3.39Å; L861-F883 HydrophobicContact CD2-CE2 4.04Å; L861-F883 HydrophobicContact CD2-CG 3.73Å; L861-F883 HydrophobicContact CG-CD2 4.5Å; K879-F883 PolarHBondContact O-N 3.23Å; K879-F883 VanDerWaalsContact O-N 3.11Å; A880-F883 PolarHBondContact O-N 2.91Å; K881-F883 PolarHBondContact O-N 2.79Å; F883-F885 HydrophobicContact CB-CD2 3.97Å; F883-F885 HydrophobicContact CB-CE2 4.07Å
884G96.9Very high94Very high5 Ų526.3 Ų26.35%0.05214%0.139CC..THydrogen-bonded Turntrans83.118.5178.100000115.7R792 A880 K881 R882 S886R792-G884 VanDerWaalsContact CZ-O 3.32Å; R792-G884 PolarHBondContact NH1-O 2.86Å; R792-G884 PolarHBondContact NH2-O 3.34Å; A880-G884 PolarHBondContact O-N 3.07Å; K881-G884 WeakPolarHBondContact O-CA 3.22Å; K881-G884 PolarHBondContact O-N 3.26Å; R882-G884 VanDerWaalsContact C-N 3.32Å; G884-S886 PolarHBondContact O-N 2.92Å
885F97.5Very high93.5Very high1 Ų130.6 Ų30.60%0.00415%0.15CC..  trans-68.6129174.1-76.1-113.4000110.9I858 L861 Q862 L865 A880 K881 F883 Q889 I890 Y893I858-F885 HydrophobicContact CG2-CE2 3.96Å; I858-F885 HydrophobicContact CG2-CZ 3.8Å; L861-F885 HydrophobicContact CB-CE2 4.33Å; L861-F885 HydrophobicContact CB-CZ 4.31Å; L861-F885 HydrophobicContact CD2-CD2 4.32Å; L861-F885 HydrophobicContact CD2-CE2 3.88Å; L861-F885 HydrophobicContact CG-CE2 4.2Å; L861-F885 HydrophobicContact CG-CZ 4.38Å; Q862-F885 HydrophobicContact CB-CE1 4.22Å; Q862-F885 HydrophobicContact CB-CZ 4.25Å; L865-F885 HydrophobicContact CD1-CD1 3.9Å; L865-F885 HydrophobicContact CD1-CE1 3.89Å; A880-F885 HydrophobicContact CB-CB 4.2Å; A880-F885 HydrophobicContact CB-CD2 4.46Å; A880-F885 HydrophobicContact CB-CG 4.31Å; A880-F885 WeakPolarHBondContact O-CB 3.18Å; A880-F885 VanDerWaalsContact O-CD2 3.31Å; A880-F885 WeakPolarHBondContact O-CD2 3.37Å; A880-F885 PolarHBondContact O-N 2.94Å; K881-F885 WeakPolarHBondContact CD-O 3.25Å; K881-F885 WeakPolarHBondContact CE-O 3.18Å; K881-F885 PolarHBondContact NZ-O 3.41Å; F883-F885 HydrophobicContact CB-CD2 3.97Å; F883-F885 HydrophobicContact CB-CE2 4.07Å; F885-Q889 HydrophobicContact CD1-CB 4.41Å; F885-Q889 VanDerWaalsContact CD1-CD 3.42Å; F885-Q889 HydrophobicContact CD1-CG 3.78Å; F885-Q889 HydrophobicContact CE1-CG 4.28Å; F885-I890 HydrophobicContact CB-CD1 4.05Å; F885-I890 HydrophobicContact CB-CG1 3.79Å; F885-Y893 HydrophobicContact CE1-CD2 4.18Å; F885-Y893 HydrophobicContact CE1-CE2 4.06Å
886S95.9Very high93.2Very high4 Ų428.3 Ų28.33%0.02813%0.13CC..  trans-73.4159.2172.764.60000111.4G884 K888 Q889 I890 E1011G884-S886 PolarHBondContact O-N 2.92Å; S886-K888 PolarHBondContact O-N 3.15Å; S886-Q889 PolarHBondContact O-N 3.4Å; S886-Q889 VanDerWaalsContact O-N 3.09Å; S886-Q889 VanDerWaalsContact OG-CB 3.28Å; S886-Q889 WeakPolarHBondContact OG-CB 3.5Å; S886-Q889 PolarHBondContact OG-N 2.91Å; S886-Q889 VanDerWaalsContact OG-N 3.09Å; S886-I890 WeakPolarHBondContact O-CG1 3.43Å; S886-I890 PolarHBondContact O-N 3.17Å; S886-E1011 WeakPolarHBondContact CA-OE2 3.18Å; S886-E1011 WeakPolarHBondContact CB-OE2 3.36Å
887D94.7Very high92.7Very high1 Ų128.4 Ų28.41%0.00513%0.131CC..Hα-helixtrans-61.2-34.8176.3-69.8-8.5000110.3K881 A891 E898 V901 R905 E1011K881-D887 IonicContact NZ-OD1 2.84Å; K881-D887 PolarHBondContact NZ-OD1 3.39Å; D887-A891 WeakPolarHBondContact O-CB 3.37Å; D887-A891 PolarHBondContact O-N 3.11Å; D887-E898 HydrophobicContact CB-CG 4.04Å; D887-V901 HydrophobicContact CB-CB 4.29Å; D887-V901 HydrophobicContact CB-CG1 4.03Å; D887-R905 IonicContact OD1-CZ 3.89Å; D887-R905 IonicContact OD1-NE 3.77Å; D887-R905 PolarHBondContact OD1-NE 2.88Å; D887-R905 IonicContact OD1-NH2 3.07Å; D887-R905 IonicContact OD2-CZ 3.27Å; D887-R905 IonicContact OD2-NE 2.74Å; D887-R905 PolarHBondContact OD2-NE 3.38Å; D887-R905 IonicContact OD2-NH2 2.6Å; D887-R905 PolarHBondContact OD2-NH2 3.27Å; D887-E1011 HydrophobicContact CB-CG 4.43Å; D887-E1011 WeakPolarHBondContact CB-OE2 3.5Å; D887-E1011 PolarHBondContact N-OE2 2.84Å
888K91.9Very high92.4Very high80 Ų8030.1 Ų30.135%0.34814%0.139SC..Hα-helixtrans-62.8-44.4170.9-69.9-177.5-178.7173.70112.9L799 S886 A891 K892 E898L799-K888 HydrophobicContact CD2-CB 3.81Å; L799-K888 HydrophobicContact CD2-CD 4.18Å; S886-K888 PolarHBondContact O-N 3.15Å; K888-A891 WeakPolarHBondContact O-CB 3.39Å; K888-A891 PolarHBondContact O-N 3.04Å; K888-K892 PolarHBondContact O-N 3.02Å; K888-E898 WeakPolarHBondContact CE-OE1 3.45Å; K888-E898 WeakPolarHBondContact CE-OE2 3.44Å; K888-E898 HydrophobicContact CG-CB 3.93Å; K888-E898 HydrophobicContact CG-CG 3.76Å; K888-E898 WeakPolarHBondContact CG-OE2 3.2Å
889Q94.5Very high92Very high0 Ų028.3 Ų28.30%013%0.13CC..Hα-helixtrans-67.9-42.1-179.5-168.2-177.111.400111.4L799 F885 S886 K892 Y893L799-Q889 HydrophobicContact CB-CB 4.11Å; L799-Q889 HydrophobicContact CB-CG 4.23Å; L799-Q889 PolarHBondContact O-OE1 3.34Å; L799-Q889 VanDerWaalsContact O-OE1 3.12Å; F885-Q889 HydrophobicContact CD1-CB 4.41Å; F885-Q889 VanDerWaalsContact CD1-CD 3.42Å; F885-Q889 HydrophobicContact CD1-CG 3.78Å; F885-Q889 HydrophobicContact CE1-CG 4.28Å; S886-Q889 PolarHBondContact O-N 3.4Å; S886-Q889 VanDerWaalsContact O-N 3.09Å; S886-Q889 VanDerWaalsContact OG-CB 3.28Å; S886-Q889 WeakPolarHBondContact OG-CB 3.5Å; S886-Q889 PolarHBondContact OG-N 2.91Å; S886-Q889 VanDerWaalsContact OG-N 3.09Å; Q889-K892 WeakPolarHBondContact O-CB 3.35Å; Q889-K892 PolarHBondContact O-N 3.43Å; Q889-Y893 HydrophobicContact CG-CD2 4.19Å; Q889-Y893 HydrophobicContact CG-CE2 3.6Å; Q889-Y893 WeakPolarHBondContact O-CD2 3.39Å; Q889-Y893 PolarHBondContact O-N 2.99Å
890I95Very high91.5Very high0 Ų024.1 Ų24.10%012%0.115CC..Hα-helixtrans-60.6-49.7173.5-66.8163.7000109.4L877 A880 K881 F885 S886 K892 Y893 I894 V901L877-I890 HydrophobicContact CD1-CD1 3.92Å; L877-I890 HydrophobicContact CD1-CG2 4.07Å; A880-I890 HydrophobicContact CB-CD1 4.06Å; A880-I890 HydrophobicContact CB-CG1 4.24Å; K881-I890 HydrophobicContact CD-CD1 3.51Å; K881-I890 HydrophobicContact CG-CD1 4.38Å; F885-I890 HydrophobicContact CB-CD1 4.05Å; F885-I890 HydrophobicContact CB-CG1 3.79Å; S886-I890 WeakPolarHBondContact O-CG1 3.43Å; S886-I890 PolarHBondContact O-N 3.17Å; I890-K892 VanDerWaalsContact C-N 3.28Å; I890-K892 PolarHBondContact O-N 3.37Å; I890-Y893 PolarHBondContact O-N 3.18Å; I890-I894 HydrophobicContact CG2-CD1 3.98Å; I890-I894 HydrophobicContact CG2-CG1 4.24Å; I890-I894 HydrophobicContact CG2-CG2 4.08Å; I890-I894 WeakPolarHBondContact O-CG1 2.87Å; I890-I894 PolarHBondContact O-N 2.72Å; I890-V901 HydrophobicContact CB-CG1 4.09Å; I890-V901 HydrophobicContact CB-CG2 4.4Å; I890-V901 HydrophobicContact CD1-CG1 4.32Å; I890-V901 HydrophobicContact CG2-CG1 3.85Å; I890-V901 HydrophobicContact CG2-CG2 3.93Å
891A90.6Very high91.2Very high5 Ų524.1 Ų24.14%0.04112%0.115CC..Hα-helixtrans-53.8-43.5179.100000112.3D887 K888 Y893 K895 S896 T897 V901D887-A891 WeakPolarHBondContact O-CB 3.37Å; D887-A891 PolarHBondContact O-N 3.11Å; K888-A891 WeakPolarHBondContact O-CB 3.39Å; K888-A891 PolarHBondContact O-N 3.04Å; A891-Y893 PolarHBondContact O-N 3.36Å; A891-K895 WeakPolarHBondContact O-CA 3.31Å; A891-K895 PolarHBondContact O-N 2.82Å; A891-S896 PolarHBondContact O-N 2.94Å; A891-T897 VanDerWaalsContact CB-C 3.46Å; A891-V901 HydrophobicContact CB-CG2 3.89Å
892K88.8Confident90.9Very high69 Ų6924.2 Ų24.230%0.312%0.115SC..Hα-helixtrans-55.2-49.7174.4179.8-175.9175.5-165.40112L799 D802 D804 K888 Q889 I890L799-K892 HydrophobicContact CD1-CB 4.45Å; L799-K892 HydrophobicContact CD1-CD 3.9Å; D802-K892 IonicContact OD1-NZ 2.81Å; D802-K892 PolarHBondContact OD1-NZ 3.18Å; D802-K892 IonicContact OD2-NZ 3.2Å; D802-K892 PolarHBondContact OD2-NZ 3.35Å; D804-K892 WeakPolarHBondContact OD2-CE 3.44Å; D804-K892 IonicContact OD2-NZ 2.81Å; D804-K892 PolarHBondContact OD2-NZ 3.46Å; K888-K892 PolarHBondContact O-N 3.02Å; Q889-K892 WeakPolarHBondContact O-CB 3.35Å; Q889-K892 PolarHBondContact O-N 3.43Å; I890-K892 VanDerWaalsContact C-N 3.28Å; I890-K892 PolarHBondContact O-N 3.37Å
893Y90.2Very high90.6Very high13 Ų1325 Ų255%0.05112%0.121CC..Hα-helixtrans-79.8-34.2-174.1-61.4-48.3000114D802 Q862 T866 F885 Q889 I890 A891 K895D802-Y893 PolarHBondContact OD1-OH 3.36Å; Q862-Y893 HydrophobicContact CB-CD2 4.39Å; Q862-Y893 HydrophobicContact CB-CE2 4.14Å; Q862-Y893 VanDerWaalsContact CD-CE1 3.5Å; Q862-Y893 HydrophobicContact CG-CD1 3.91Å; Q862-Y893 HydrophobicContact CG-CD2 3.9Å; Q862-Y893 HydrophobicContact CG-CE1 3.66Å; Q862-Y893 HydrophobicContact CG-CE2 3.58Å; Q862-Y893 HydrophobicContact CG-CG 4.07Å; Q862-Y893 VanDerWaalsContact NE2-CE1 3.25Å; Q862-Y893 VanDerWaalsContact NE2-CZ 3.31Å; Q862-Y893 PolarHBondContact NE2-OH 3Å; Q862-Y893 VanDerWaalsContact NE2-OH 3.15Å; Q862-Y893 PolarHBondContact OE1-OH 3.27Å; T866-Y893 WeakPolarHBondContact CA-O 3.43Å; F885-Y893 HydrophobicContact CE1-CD2 4.18Å; F885-Y893 HydrophobicContact CE1-CE2 4.06Å; Q889-Y893 HydrophobicContact CG-CD2 4.19Å; Q889-Y893 HydrophobicContact CG-CE2 3.6Å; Q889-Y893 WeakPolarHBondContact O-CD2 3.39Å; Q889-Y893 PolarHBondContact O-N 2.99Å; I890-Y893 PolarHBondContact O-N 3.18Å; A891-Y893 PolarHBondContact O-N 3.36Å; Y893-K895 VanDerWaalsContact C-N 3.29Å
894I89.5Confident90.2Very high3 Ų325.4 Ų25.42%0.01512%0.123CC..Hα-helixtrans-86.3-2.1177.975.4168.1000113.5L865 G869 S870 T872 I890 V901L865-I894 HydrophobicContact CB-CG2 4.32Å; L865-I894 HydrophobicContact CD2-CG2 4.23Å; G869-I894 CarbonylContact C-O 3.44Å; G869-I894 WeakPolarHBondContact O-CB 3.24Å; S870-I894 PolarHBondContact N-O 3.13Å; T872-I894 WeakPolarHBondContact OG1-CG2 3.08Å; I890-I894 HydrophobicContact CG2-CD1 3.98Å; I890-I894 HydrophobicContact CG2-CG1 4.24Å; I890-I894 HydrophobicContact CG2-CG2 4.08Å; I890-I894 WeakPolarHBondContact O-CG1 2.87Å; I890-I894 PolarHBondContact O-N 2.72Å; I894-V901 HydrophobicContact CD1-CG2 3.85Å; I894-V901 HydrophobicContact CG1-CG2 4.49Å
895K83Confident90.1Very high131 Ų13125.2 Ų25.257%0.5712%0.121SC*.THydrogen-bonded Turntrans65.146.9-177.5-58.1-176.3-178.4172.60114.2A891 Y893 M2168A891-K895 WeakPolarHBondContact O-CA 3.31Å; A891-K895 PolarHBondContact O-N 2.82Å; Y893-K895 VanDerWaalsContact C-N 3.29Å; K895-M2168 WeakPolarHBondContact CA-SD 3.34Å; K895-M2168 HydrophobicContact CB-CE 3.3Å; K895-M2168 HydrophobicContact CB-SD 4.16Å; K895-M2168 HydrophobicContact CD-CE 4.46Å; K895-M2168 HydrophobicContact CG-CE 3.75Å
896S84Confident89.8Confident22 Ų2227.5 Ų27.515%0.15413%0.132CC..  trans-125.7-168.2-178.4-164.80000112.3A891 A900 M2168A891-S896 PolarHBondContact O-N 2.94Å; S896-A900 WeakPolarHBondContact OG-CB 3.5Å; S896-M2168 PolarHBondContact N-SD 3Å
897T82.1Confident89.5Confident18 Ų1835 Ų3511%0.1117%0.166CC..  trans-111.7155.2172.666.10000110.9A891 L899 A900 V901A891-T897 VanDerWaalsContact CB-C 3.46Å; T897-L899 VanDerWaalsContact C-N 3.29Å; T897-L899 PolarHBondContact O-N 2.93Å; T897-A900 PolarHBondContact O-N 2.94Å; T897-A900 VanDerWaalsContact O-N 3.16Å; T897-A900 VanDerWaalsContact OG1-CB 3.32Å; T897-A900 WeakPolarHBondContact OG1-CB 3.38Å; T897-A900 PolarHBondContact OG1-N 3.32Å; T897-V901 PolarHBondContact O-N 2.72Å
898E87.8Confident89.4Confident35 Ų3539.3 Ų39.316%0.16419%0.185CC..Hα-helixtrans-51.5-46.5178.9177.9179.4-159.700112.3D887 K888 V901 R902D887-E898 HydrophobicContact CB-CG 4.04Å; K888-E898 WeakPolarHBondContact CE-OE1 3.45Å; K888-E898 WeakPolarHBondContact CE-OE2 3.44Å; K888-E898 HydrophobicContact CG-CB 3.93Å; K888-E898 HydrophobicContact CG-CG 3.76Å; K888-E898 WeakPolarHBondContact CG-OE2 3.2Å; E898-V901 PolarHBondContact O-N 2.79Å; E898-R902 PolarHBondContact O-N 2.87Å
899L87.2Confident89.5Confident14 Ų1438.2 Ų38.27%0.07320%0.197CC..Hα-helixtrans-72.2-33.1-178.7-70.5166.4000112.9T897 R902 H903 F1010 Q1044 S2192T897-L899 VanDerWaalsContact C-N 3.29Å; T897-L899 PolarHBondContact O-N 2.93Å; L899-R902 PolarHBondContact O-N 2.86Å; L899-H903 WeakPolarHBondContact O-CB 3.49Å; L899-H903 PolarHBondContact O-CD2 3.4Å; L899-H903 PolarHBondContact O-N 3.27Å; L899-F1010 HydrophobicContact CD2-CE1 3.47Å; L899-F1010 VanDerWaalsContact CD2-CE1 3.47Å; L899-F1010 HydrophobicContact CD2-CZ 3.61Å; L899-F1010 HydrophobicContact CG-CE1 4.38Å; L899-Q1044 HydrophobicContact CD2-CG 4.49Å; L899-S2192 WeakPolarHBondContact CD1-O 3.42Å
900A83.9Confident89.5Confident17 Ų1738.9 Ų38.914%0.1420%0.2CC..Hα-helixtrans-65.5-40.8173.500000111.3S896 T897 H903 Q904S896-A900 WeakPolarHBondContact OG-CB 3.5Å; T897-A900 PolarHBondContact O-N 2.94Å; T897-A900 VanDerWaalsContact O-N 3.16Å; T897-A900 VanDerWaalsContact OG1-CB 3.32Å; T897-A900 WeakPolarHBondContact OG1-CB 3.38Å; T897-A900 PolarHBondContact OG1-N 3.32Å; A900-H903 PolarHBondContact O-N 3.31Å; A900-Q904 WeakPolarHBondContact O-CB 3.34Å; A900-Q904 PolarHBondContact O-N 3.23Å
901V90.4Very high89.5Confident0 Ų043.9 Ų43.90%022%0.219CC..Hα-helixtrans-61.8-47.4172.3175.30000110.4L877 D887 I890 A891 I894 T897 E898 H903 Q904 R905L877-V901 HydrophobicContact CD1-CG1 4.26Å; D887-V901 HydrophobicContact CB-CB 4.29Å; D887-V901 HydrophobicContact CB-CG1 4.03Å; I890-V901 HydrophobicContact CB-CG1 4.09Å; I890-V901 HydrophobicContact CB-CG2 4.4Å; I890-V901 HydrophobicContact CD1-CG1 4.32Å; I890-V901 HydrophobicContact CG2-CG1 3.85Å; I890-V901 HydrophobicContact CG2-CG2 3.93Å; A891-V901 HydrophobicContact CB-CG2 3.89Å; I894-V901 HydrophobicContact CD1-CG2 3.85Å; I894-V901 HydrophobicContact CG1-CG2 4.49Å; T897-V901 PolarHBondContact O-N 2.72Å; E898-V901 PolarHBondContact O-N 2.79Å; V901-H903 PolarHBondContact O-N 3Å; V901-Q904 PolarHBondContact O-N 3.29Å; V901-R905 WeakPolarHBondContact O-CB 3.5Å; V901-R905 PolarHBondContact O-N 3.36Å
902R92Very high89.8Confident6 Ų643.8 Ų43.82%0.02322%0.218CC..Hα-helixtrans-54.9-49.8176-178.8-178.5-176.469.57.4112.2E898 L899 R905 Q906 D1015 E1018E898-R902 PolarHBondContact O-N 2.87Å; L899-R902 PolarHBondContact O-N 2.86Å; R902-R905 VanDerWaalsContact O-CB 3.3Å; R902-R905 WeakPolarHBondContact O-CB 3.45Å; R902-R905 PolarHBondContact O-N 3.4Å; R902-Q906 WeakPolarHBondContact O-CG 3.32Å; R902-Q906 PolarHBondContact O-N 3.36Å; R902-D1015 IonicContact CZ-OD1 3.38Å; R902-D1015 IonicContact NH1-OD1 2.85Å; R902-D1015 PolarHBondContact NH1-OD1 3.34Å; R902-D1015 IonicContact NH1-OD2 3.28Å; R902-D1015 IonicContact NH2-OD1 3.82Å; R902-D1015 PolarHBondContact NH2-OD1 2.93Å; R902-E1018 IonicContact CZ-OE1 3.46Å; R902-E1018 IonicContact NE-OE1 3.67Å; R902-E1018 IonicContact NH2-OE1 2.87Å; R902-E1018 PolarHBondContact NH2-OE1 2.99Å; R902-E1018 IonicContact NH2-OE2 3.84Å; R902-E1018 PolarHBondContact NH2-OE2 2.82Å
903H88.9Confident90.2Very high73 Ų7342.5 Ų42.534%0.33821%0.213SC..Hα-helixtrans-61.1-45.9178.2-81.6-64.7000112L899 A900 V901 R905 Q906 E907 S2192L899-H903 WeakPolarHBondContact O-CB 3.49Å; L899-H903 PolarHBondContact O-CD2 3.4Å; L899-H903 PolarHBondContact O-N 3.27Å; A900-H903 PolarHBondContact O-N 3.31Å; V901-H903 PolarHBondContact O-N 3Å; H903-R905 VanDerWaalsContact C-N 3.26Å; H903-R905 PolarHBondContact O-N 3.24Å; H903-Q906 PolarHBondContact O-N 3.09Å; H903-E907 WeakPolarHBondContact O-CG 3.4Å; H903-E907 PolarHBondContact O-N 2.96Å; H903-S2192 WeakPolarHBondContact CD2-CB 3.36Å; H903-S2192 VanDerWaalsContact NE2-CB 3.25Å; H903-S2192 WeakPolarHBondContact NE2-CB 3.13Å
904Q89.8Confident90.5Very high37 Ų3741.9 Ų41.917%0.17321%0.21CC..Hα-helixtrans-58.4-41.1175.7-174.3179.321.200111.6T872 L877 A900 V901 E907 F908T872-Q904 PolarHBondContact O-NE2 3.39Å; T872-Q904 VanDerWaalsContact O-NE2 3.13Å; L877-Q904 HydrophobicContact CD2-CG 4.23Å; A900-Q904 WeakPolarHBondContact O-CB 3.34Å; A900-Q904 PolarHBondContact O-N 3.23Å; V901-Q904 PolarHBondContact O-N 3.29Å; Q904-E907 PolarHBondContact O-N 2.84Å; Q904-F908 HydrophobicContact CG-CD2 4Å; Q904-F908 HydrophobicContact CG-CE2 3.58Å; Q904-F908 HydrophobicContact CG-CZ 4.13Å; Q904-F908 WeakPolarHBondContact O-CD2 3.24Å; Q904-F908 WeakPolarHBondContact O-CG 3.34Å; Q904-F908 PolarHBondContact O-N 3.27Å
905R93.5Very high90.8Very high0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-62.1-45.7176.4-143.7169.93979.6-16.2111.1L877 D887 V901 R902 H903 F908 G909 I910 Y935 D1015L877-R905 HydrophobicContact CD2-CB 4.18Å; L877-R905 HydrophobicContact CD2-CG 4.06Å; L877-R905 HydrophobicContact CG-CG 4.43Å; D887-R905 IonicContact OD1-CZ 3.89Å; D887-R905 IonicContact OD1-NE 3.77Å; D887-R905 PolarHBondContact OD1-NE 2.88Å; D887-R905 IonicContact OD1-NH2 3.07Å; D887-R905 IonicContact OD2-CZ 3.27Å; D887-R905 IonicContact OD2-NE 2.74Å; D887-R905 PolarHBondContact OD2-NE 3.38Å; D887-R905 IonicContact OD2-NH2 2.6Å; D887-R905 PolarHBondContact OD2-NH2 3.27Å; V901-R905 WeakPolarHBondContact O-CB 3.5Å; V901-R905 PolarHBondContact O-N 3.36Å; R902-R905 VanDerWaalsContact O-CB 3.3Å; R902-R905 WeakPolarHBondContact O-CB 3.45Å; R902-R905 PolarHBondContact O-N 3.4Å; H903-R905 VanDerWaalsContact C-N 3.26Å; H903-R905 PolarHBondContact O-N 3.24Å; R905-F908 CarbonylContact O-C 3.43Å; R905-F908 PolarHBondContact O-N 2.95Å; R905-G909 PolarHBondContact O-N 2.92Å; R905-G909 VanDerWaalsContact O-N 3.13Å; R905-I910 HydrophobicContact CG-CB 3.57Å; R905-I910 HydrophobicContact CG-CG2 3.52Å; R905-I910 WeakPolarHBondContact CG-O 3.34Å; R905-I910 PolarHBondContact NH1-O 2.9Å; R905-I910 PolarHBondContact O-N 3.08Å; R905-Y935 VanDerWaalsContact CZ-OH 3.22Å; R905-Y935 PolarHBondContact NH1-OH 2.89Å; R905-D1015 IonicContact NH1-OD2 3.48Å; R905-D1015 IonicContact NH2-OD2 2.73Å; R905-D1015 PolarHBondContact NH2-OD2 3.16Å
906Q91.1Very high91.2Very high50 Ų5036 Ų3623%0.23419%0.185CC..Hα-helixtrans-64.2-41.5176-70.8176.4-21.400112.6R902 H903 F908 G909 E1018R902-Q906 WeakPolarHBondContact O-CG 3.32Å; R902-Q906 PolarHBondContact O-N 3.36Å; H903-Q906 PolarHBondContact O-N 3.09Å; Q906-F908 VanDerWaalsContact C-N 3.29Å; Q906-F908 PolarHBondContact O-N 3.14Å; Q906-G909 PolarHBondContact O-N 3.04Å; Q906-E1018 PolarHBondContact NE2-OE2 3.01Å
907E90.2Very high91.5Very high162 Ų16235 Ų3576%0.75718%0.178SC*.Hα-helixtrans-61.7-37.3175.4-75.4-177.8172.200112.2H903 Q904 G909H903-E907 WeakPolarHBondContact O-CG 3.4Å; H903-E907 PolarHBondContact O-N 2.96Å; Q904-E907 PolarHBondContact O-N 2.84Å; E907-G909 VanDerWaalsContact C-N 3.27Å; E907-G909 PolarHBondContact O-N 3.15Å
908F93.7Very high91.8Very high91 Ų9134.3 Ų34.340%0.39917%0.173SC..THydrogen-bonded Turntrans-81.7-0.3174.3-64.4-25.8000114.1A874 L877 Q904 R905 Q906 I910A874-F908 HydrophobicContact CB-CB 4.1Å; A874-F908 HydrophobicContact CB-CD1 4.36Å; A874-F908 HydrophobicContact CB-CD2 3.75Å; A874-F908 HydrophobicContact CB-CE2 4.21Å; A874-F908 HydrophobicContact CB-CG 3.83Å; L877-F908 HydrophobicContact CD2-CD2 4.11Å; Q904-F908 HydrophobicContact CG-CD2 4Å; Q904-F908 HydrophobicContact CG-CE2 3.58Å; Q904-F908 HydrophobicContact CG-CZ 4.13Å; Q904-F908 WeakPolarHBondContact O-CD2 3.24Å; Q904-F908 WeakPolarHBondContact O-CG 3.34Å; Q904-F908 PolarHBondContact O-N 3.27Å; R905-F908 CarbonylContact O-C 3.43Å; R905-F908 PolarHBondContact O-N 2.95Å; Q906-F908 VanDerWaalsContact C-N 3.29Å; Q906-F908 PolarHBondContact O-N 3.14Å; F908-I910 HydrophobicContact CB-CD1 3.82Å; F908-I910 HydrophobicContact CB-CG1 4.01Å; F908-I910 HydrophobicContact CD2-CD1 4.28Å; F908-I910 PolarHBondContact O-N 2.64Å
909G93.2Very high91.6Very high57 Ų5732.6 Ų32.659%0.58817%0.165SC*.THydrogen-bonded Turntrans68.418.3-177.300000114.3R905 Q906 E907 R911R905-G909 PolarHBondContact O-N 2.92Å; R905-G909 VanDerWaalsContact O-N 3.13Å; Q906-G909 PolarHBondContact O-N 3.04Å; E907-G909 VanDerWaalsContact C-N 3.27Å; E907-G909 PolarHBondContact O-N 3.15Å; G909-R911 PolarHBondContact O-N 3.06Å
910I95.1Very high91.6Very high13 Ų1333.3 Ų33.37%0.06717%0.17CC..  trans-82.999.2178.8-61.6166.1000108.1A874 L877 L878 K881 R905 F908 Y935A874-I910 HydrophobicContact CB-CD1 4.38Å; A874-I910 WeakPolarHBondContact O-CD1 3.34Å; L877-I910 HydrophobicContact CB-CD1 4.08Å; L877-I910 HydrophobicContact CD2-CD1 4.09Å; L877-I910 HydrophobicContact CG-CD1 4.15Å; L878-I910 HydrophobicContact CB-CD1 4.12Å; L878-I910 HydrophobicContact CB-CG1 4.45Å; L878-I910 HydrophobicContact CD1-CG2 4Å; K881-I910 HydrophobicContact CG-CG2 4.39Å; R905-I910 HydrophobicContact CG-CB 3.57Å; R905-I910 HydrophobicContact CG-CG2 3.52Å; R905-I910 WeakPolarHBondContact CG-O 3.34Å; R905-I910 PolarHBondContact NH1-O 2.9Å; R905-I910 PolarHBondContact O-N 3.08Å; F908-I910 HydrophobicContact CB-CD1 3.82Å; F908-I910 HydrophobicContact CB-CG1 4.01Å; F908-I910 HydrophobicContact CD2-CD1 4.28Å; F908-I910 PolarHBondContact O-N 2.64Å; I910-Y935 HydrophobicContact CG2-CD1 3.97Å; I910-Y935 HydrophobicContact CG2-CE1 3.91Å
911R95.2Very high91.8Very high106 Ų10632.6 Ų32.640%0.416%0.164SC..  trans-123.3150.3176-68.4-173.5177.8-106.10.9109.8G909 E1018G909-R911 PolarHBondContact O-N 3.06Å; R911-E1018 IonicContact NH1-OE2 3.25Å; R911-E1018 PolarHBondContact NH1-OE2 3.06Å; R911-E1018 VanDerWaalsContact NH1-OE2 3.07Å
912P96.5Very high91.5Very high2 Ų232.8 Ų32.81%0.01317%0.166CC..PPolyproline II helixtrans-67.3146.8172.928.8-32.2000109.8H933 Y935 H940 D1015 M1019P912-H933 HydrophobicContact CB-CB 3.91Å; P912-Y935 HydrophobicContact CB-CD2 4.42Å; P912-Y935 HydrophobicContact CB-CE1 4.24Å; P912-Y935 HydrophobicContact CB-CE2 3.95Å; P912-H940 PolarHBondContact O-CE1 3.21Å; P912-D1015 HydrophobicContact CG-CB 4.25Å; P912-M1019 HydrophobicContact CG-CE 4.2Å; P912-M1019 WeakPolarHBondContact O-CE 3.23Å
913H97Very high90.9Very high42 Ų4233.4 Ų33.419%0.19417%0.169CC..EExtended strand (participates in β ladder)trans-95.4148.9169.2-68.3-71.4000110.1H933 T934 G937 H940H913-H933 CarbonylContact O-C 3.56Å; H913-H933 WeakPolarHBondContact O-CA 3.46Å; H913-T934 PolarHBondContact N-O 3.35Å; H913-T934 PolarHBondContact O-N 2.64Å; H913-G937 VanDerWaalsContact CD2-C 3.43Å; H913-G937 PolarHBondContact CD2-O 2.83Å; H913-G937 PolarHBondContact NE2-O 3.32Å; H913-H940 AromaticContact ND1-CD2 3.81Å; H913-H940 AromaticContact ND1-CE1 3.87Å; H913-H940 AromaticContact ND1-NE2 3.55Å
914V96.8Very high90.5Very high0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-97.5117179.21800000107.4L931 H940 D941 V942 F944 Y1004 M1019V914-L931 HydrophobicContact CG1-CB 3.86Å; V914-L931 HydrophobicContact CG1-CD1 4.02Å; V914-L931 HydrophobicContact CG1-CD2 4.02Å; V914-L931 HydrophobicContact CG1-CG 4.17Å; V914-H940 PolarHBondContact N-ND1 3.39Å; V914-H940 CarbonylContact O-C 3.49Å; V914-H940 WeakPolarHBondContact O-CA 3.31Å; V914-D941 PolarHBondContact O-N 3.47Å; V914-V942 HydrophobicContact CB-CG2 4.26Å; V914-V942 HydrophobicContact CG1-CG2 3.79Å; V914-F944 HydrophobicContact CB-CZ 4.09Å; V914-F944 HydrophobicContact CG2-CE1 4.08Å; V914-F944 HydrophobicContact CG2-CZ 3.75Å; V914-Y1004 HydrophobicContact CG1-CE1 4Å; V914-Y1004 HydrophobicContact CG2-CE1 3.98Å; V914-M1019 HydrophobicContact CG2-CE 4.14Å; V914-M1019 HydrophobicContact CG2-SD 3.34Å; V914-M1019 WeakPolarHBondContact CG2-SD 3.21Å
915K94.9Very high89.7Confident0 Ų034.7 Ų34.70%018%0.182CC..EExtended strand (participates in β ladder)trans-110.5145.3177.5-62.9-59.2-168-178.70109.6D133 R135 L931 Y932 T934 E939 D941D133-K915 IonicContact OD1-NZ 2.69Å; D133-K915 IonicContact OD2-NZ 3.52Å; D133-K915 PolarHBondContact OD2-NZ 3.25Å; R135-K915 HydrophobicContact CG-CD 4.43Å; K915-L931 WeakPolarHBondContact O-CA 3.44Å; K915-Y932 HydrophobicContact CB-CD1 4.16Å; K915-Y932 HydrophobicContact CB-CE1 3.56Å; K915-Y932 HydrophobicContact CB-CE2 3.97Å; K915-Y932 VanDerWaalsContact CB-CZ 3.45Å; K915-Y932 HydrophobicContact CG-CE2 4.45Å; K915-Y932 PolarHBondContact N-O 3.01Å; K915-Y932 WeakPolarHBondContact O-CD1 3.35Å; K915-Y932 PolarHBondContact O-N 3.36Å; K915-T934 HydrophobicContact CB-CG2 4.48Å; K915-T934 HydrophobicContact CG-CG2 3.54Å; K915-E939 WeakPolarHBondContact CE-O 3.31Å; K915-E939 PolarHBondContact NZ-O 2.64Å; K915-D941 WeakPolarHBondContact CA-OD2 3.31Å
916Q92.1Very high88.6Confident12 Ų1235.2 Ų35.26%0.05619%0.186CC..EExtended strand (participates in β ladder)trans-100.4141-178.9-172.6-177-1.900110R135 D918 A926 T928 Y930 L931 D941R135-Q916 PolarHBondContact NH1-O 3.26Å; R135-Q916 PolarHBondContact NH2-O 3.06Å; R135-Q916 VanDerWaalsContact NH2-O 3.09Å; Q916-D918 PolarHBondContact O-N 3.18Å; Q916-A926 HydrophobicContact CG-CB 4.36Å; Q916-A926 PolarHBondContact NE2-O 3.06Å; Q916-A926 PolarHBondContact OE1-O 2.98Å; Q916-T928 VanDerWaalsContact CG-OG1 3.27Å; Q916-T928 WeakPolarHBondContact CG-OG1 3.25Å; Q916-T928 PolarHBondContact NE2-O 2.91Å; Q916-T928 PolarHBondContact NE2-OG1 3.38Å; Q916-Y930 WeakPolarHBondContact CA-O 3.21Å; Q916-L931 HydrophobicContact CB-CD2 4.1Å; Q916-L931 HydrophobicContact CG-CD2 4.19Å; Q916-D941 HydrophobicContact CB-CB 3.94Å; Q916-D941 PolarHBondContact N-OD2 3.28Å
917I90.4Very high87.7Confident1 Ų136.6 Ų36.61%0.00520%0.202CC..  trans-65.4120173.9-65.2-63.8000109.3Y746 I779 T928 Y930 Y932Y746-I917 HydrophobicContact CD1-CD1 4.36Å; Y746-I917 HydrophobicContact CD2-CD1 4.14Å; Y746-I917 HydrophobicContact CE1-CD1 3.85Å; Y746-I917 HydrophobicContact CE2-CD1 3.54Å; Y746-I917 WeakPolarHBondContact OH-CG2 3.46Å; I779-I917 HydrophobicContact CD1-CD1 3.61Å; I779-I917 HydrophobicContact CD1-CG1 4.34Å; I779-I917 HydrophobicContact CG2-CD1 4.27Å; I917-T928 WeakPolarHBondContact O-CG2 3.44Å; I917-T928 PolarHBondContact O-OG1 3.27Å; I917-Y930 HydrophobicContact CB-CD2 4.39Å; I917-Y930 HydrophobicContact CG1-CD2 4.38Å; I917-Y930 HydrophobicContact CG2-CD2 4.38Å; I917-Y930 PolarHBondContact N-O 3.06Å; I917-Y932 HydrophobicContact CD1-CD1 3.92Å; I917-Y932 HydrophobicContact CD1-CE1 4.01Å
918D87.2Confident87.2Confident2 Ų229.4 Ų29.41%0.01117%0.169CC..  trans-107.9128.9175.9-178.3-19.8000108.2R135 Y746 Q916 V920 A921 G922 E923R135-D918 VanDerWaalsContact NH2-CB 3.28Å; Y746-D918 PolarHBondContact OH-O 2.74Å; Q916-D918 PolarHBondContact O-N 3.18Å; D918-V920 PolarHBondContact OD1-N 3.09Å; D918-A921 PolarHBondContact OD1-N 3.04Å; D918-A921 VanDerWaalsContact OD1-N 3.15Å; D918-G922 WeakPolarHBondContact OD2-CA 3.25Å; D918-G922 PolarHBondContact OD2-N 3Å; D918-E923 WeakPolarHBondContact OD1-CB 3.29Å; D918-E923 PolarHBondContact OD1-N 3.27Å; D918-E923 PolarHBondContact OD2-N 3.43Å
919T84.3Confident86.8Confident0 Ų026 Ų260%016%0.155CC..SBendtrans-79.9-20.3-173.4-35.10000112.4T708 F740 P742 S743T708-T919 WeakPolarHBondContact O-CG2 3.3Å; F740-T919 HydrophobicContact CE2-CG2 3.62Å; F740-T919 HydrophobicContact CZ-CG2 3.41Å; F740-T919 VanDerWaalsContact CZ-CG2 3.41Å; P742-T919 CarbonylContact C-O 3.6Å; P742-T919 WeakPolarHBondContact CA-O 3.44Å; P742-T919 HydrophobicContact CB-CG2 4.06Å; P742-T919 VanDerWaalsContact CB-O 3.27Å; P742-T919 WeakPolarHBondContact CB-O 3.42Å; P742-T919 HydrophobicContact CG-CG2 3.98Å; S743-T919 PolarHBondContact N-O 3.5Å; S743-T919 CarbonylContact O-C 3.58Å
920V86.2Confident86.7Confident29 Ų2923.5 Ų23.518%0.17613%0.128CC..BIsolated β-bridgetrans-124.110.9-179.3-51.40000113.4T42 F740 S743 D918 G922 E923T42-V920 WeakPolarHBondContact CB-O 3.42Å; T42-V920 WeakPolarHBondContact CG2-O 3.37Å; F740-V920 HydrophobicContact CD2-CG1 3.76Å; F740-V920 HydrophobicContact CE2-CG1 3.47Å; F740-V920 VanDerWaalsContact CE2-CG1 3.47Å; F740-V920 HydrophobicContact CZ-CG1 4.33Å; S743-V920 CarbonylContact O-C 3.53Å; D918-V920 PolarHBondContact OD1-N 3.09Å; V920-G922 PolarHBondContact O-N 3.37Å; V920-E923 HydrophobicContact CG2-CB 3.39Å; V920-E923 VanDerWaalsContact CG2-N 3.34Å
921A88.8Confident86.7Confident1 Ų123 Ų231%0.00813%0.125CC..SBendtrans58.423.8-178.200000114.4T64 S743 D745 D918T64-A921 WeakPolarHBondContact CB-O 3.18Å; T64-A921 VanDerWaalsContact CG2-O 3.29Å; T64-A921 WeakPolarHBondContact CG2-O 3.39Å; T64-A921 WeakPolarHBondContact OG1-CB 3.29Å; S743-A921 WeakPolarHBondContact O-CB 3.42Å; S743-A921 PolarHBondContact O-N 3.09Å; D745-A921 HydrophobicContact CB-CB 3.78Å; D918-A921 PolarHBondContact OD1-N 3.04Å; D918-A921 VanDerWaalsContact OD1-N 3.15Å
922G85.1Confident86.8Confident4 Ų418 Ų184%0.04111%0.106CC..  trans-17614.2179.100000114.2R142 D918 V920 W924R142-G922 WeakPolarHBondContact CD-O 3.43Å; R142-G922 WeakPolarHBondContact CG-O 3.23Å; R142-G922 VanDerWaalsContact CZ-O 3.23Å; R142-G922 PolarHBondContact NE-O 2.67Å; D918-G922 WeakPolarHBondContact OD2-CA 3.25Å; D918-G922 PolarHBondContact OD2-N 3Å; V920-G922 PolarHBondContact O-N 3.37Å; G922-W924 PolarHBondContact O-N 3.35Å
923E79.2Confident86.8Confident20 Ų2018.2 Ų18.29%0.09311%0.107CC..  trans-83.392.4176.1178169.3-147.200108.9T733 T736 D918 V920 P925 A926T733-E923 WeakPolarHBondContact CB-OE1 3.32Å; T733-E923 WeakPolarHBondContact CG2-OE1 3.13Å; T733-E923 WeakPolarHBondContact CG2-OE2 3.45Å; T736-E923 WeakPolarHBondContact CG2-OE1 3.38Å; T736-E923 PolarHBondContact OG1-OE1 2.78Å; D918-E923 WeakPolarHBondContact OD1-CB 3.29Å; D918-E923 PolarHBondContact OD1-N 3.27Å; D918-E923 PolarHBondContact OD2-N 3.43Å; V920-E923 HydrophobicContact CG2-CB 3.39Å; V920-E923 VanDerWaalsContact CG2-N 3.34Å; E923-P925 CarbonylContact O-C 3.58Å; E923-A926 WeakPolarHBondContact O-CA 3.12Å; E923-A926 WeakPolarHBondContact O-CB 3.23Å; E923-A926 PolarHBondContact O-N 2.79Å; E923-A926 VanDerWaalsContact O-N 3.14Å
924W79Confident86.8Confident38 Ų3816.2 Ų16.214%0.14410%0.098CC..SBendtrans-118132.3177.5-159.3-106000112.9K139 R142 E143 G922 A926 D941K139-W924 HydrophobicContact CB-CG 4.36Å; K139-W924 HydrophobicContact CD-CD2 4.07Å; K139-W924 HydrophobicContact CD-CE3 4.16Å; K139-W924 HydrophobicContact CD-CH2 4.3Å; K139-W924 HydrophobicContact CD-CZ2 4.2Å; K139-W924 HydrophobicContact CD-CZ3 4.27Å; K139-W924 VanDerWaalsContact CE-CE2 3.41Å; K139-W924 HydrophobicContact CG-CB 4.46Å; K139-W924 HydrophobicContact CG-CD2 3.67Å; K139-W924 HydrophobicContact CG-CE3 3.98Å; K139-W924 HydrophobicContact CG-CG 3.86Å; R142-W924 HydrophobicContact CB-CB 4.2Å; R142-W924 HydrophobicContact CG-CB 4.4Å; R142-W924 PolarHBondContact NH2-O 3.02Å; E143-W924 PolarHBondContact OE1-NE1 2.73Å; G922-W924 PolarHBondContact O-N 3.35Å; W924-A926 HydrophobicContact CE3-CB 4.26Å; W924-A926 HydrophobicContact CZ3-CB 4.19Å; W924-D941 HydrophobicContact CH2-CB 3.79Å; W924-D941 WeakPolarHBondContact CH2-O 3.38Å; W924-D941 HydrophobicContact CZ3-CB 4.24Å
925P73.8Confident86.7Confident98 Ų9817.2 Ų17.264%0.63610%0.102SC*.SBendcis-70.1137.1-529.9-34.5000112.7E923E923-P925 CarbonylContact O-C 3.58Å
926A69.9Low86.7Confident11 Ų1118.6 Ų18.69%0.09111%0.109CC..  trans-77.6138.7170.600000108.9Q916 E923 W924Q916-A926 HydrophobicContact CG-CB 4.36Å; Q916-A926 PolarHBondContact NE2-O 3.06Å; Q916-A926 PolarHBondContact OE1-O 2.98Å; E923-A926 WeakPolarHBondContact O-CA 3.12Å; E923-A926 WeakPolarHBondContact O-CB 3.23Å; E923-A926 PolarHBondContact O-N 2.79Å; E923-A926 VanDerWaalsContact O-N 3.14Å; W924-A926 HydrophobicContact CE3-CB 4.26Å; W924-A926 HydrophobicContact CZ3-CB 4.19Å
927S73Confident86.7Confident80 Ų8018.5 Ų18.556%0.55911%0.112SC*.  trans-102.812.3-179.4-62.20000113.8V732V732-S927 CarbonylContact O-C 3.4Å; V732-S927 WeakPolarHBondContact O-CB 3.16Å
928T79.3Confident86.8Confident10 Ų1021.9 Ų21.96%0.06114%0.135CC..  trans-78143.9-176.483.70000111.1V732 Q916 I917 Y930V732-T928 HydrophobicContact CG1-CG2 3.2Å; Q916-T928 VanDerWaalsContact CG-OG1 3.27Å; Q916-T928 WeakPolarHBondContact CG-OG1 3.25Å; Q916-T928 PolarHBondContact NE2-O 2.91Å; Q916-T928 PolarHBondContact NE2-OG1 3.38Å; I917-T928 WeakPolarHBondContact O-CG2 3.44Å; I917-T928 PolarHBondContact O-OG1 3.27Å; T928-Y930 VanDerWaalsContact C-N 3.3Å
929N86.2Confident87.2Confident21 Ų2125.6 Ų25.611%0.11215%0.152CC..  trans-89.34.1175.569.3-26.5000113Y997 C1000 D1001 L1003N929-Y997 PolarHBondContact ND2-O 3.23Å; N929-Y997 VanDerWaalsContact OD1-CA 3.27Å; N929-Y997 WeakPolarHBondContact OD1-CA 3.42Å; N929-Y997 PolarHBondContact OD1-O 3.3Å; N929-C1000 PolarHBondContact ND2-O 2.88Å; N929-D1001 WeakPolarHBondContact CB-O 3.29Å; N929-L1003 PolarHBondContact O-N 3.02Å
930Y90.9Very high87.7Confident3 Ų328.7 Ų28.71%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-84118.9-176-67.1-6.5000110.7K706 Q916 I917 T928 T995 Y997 L1003 F1005K706-Y930 HydrophobicContact CD-CE2 4.49Å; Q916-Y930 WeakPolarHBondContact CA-O 3.21Å; I917-Y930 HydrophobicContact CB-CD2 4.39Å; I917-Y930 HydrophobicContact CG1-CD2 4.38Å; I917-Y930 HydrophobicContact CG2-CD2 4.38Å; I917-Y930 PolarHBondContact N-O 3.06Å; T928-Y930 VanDerWaalsContact C-N 3.3Å; Y930-T995 PolarHBondContact OH-O 2.99Å; Y930-Y997 PolarHBondContact OH-N 2.92Å; Y930-L1003 HydrophobicContact CD1-CB 4.14Å; Y930-L1003 HydrophobicContact CD1-CD2 3.57Å; Y930-L1003 HydrophobicContact CD1-CG 4.38Å; Y930-L1003 HydrophobicContact CE1-CD2 3.52Å; Y930-F1005 HydrophobicContact CD1-CE2 4.4Å; Y930-F1005 HydrophobicContact CD2-CE2 4.47Å; Y930-F1005 HydrophobicContact CE1-CE2 4.38Å; Y930-F1005 HydrophobicContact CG-CD2 4.48Å; Y930-F1005 HydrophobicContact CG-CE2 4.43Å
931L95.6Very high88Confident3 Ų327.9 Ų27.92%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-123.1144.7-174.9-54.3177.9000109.9V914 K915 Q916 V942 R1002 L1003 Y1004 F1005V914-L931 HydrophobicContact CG1-CB 3.86Å; V914-L931 HydrophobicContact CG1-CD1 4.02Å; V914-L931 HydrophobicContact CG1-CD2 4.02Å; V914-L931 HydrophobicContact CG1-CG 4.17Å; K915-L931 WeakPolarHBondContact O-CA 3.44Å; Q916-L931 HydrophobicContact CB-CD2 4.1Å; Q916-L931 HydrophobicContact CG-CD2 4.19Å; L931-V942 HydrophobicContact CD1-CG2 4.39Å; L931-V942 HydrophobicContact CD2-CG1 3.8Å; L931-V942 HydrophobicContact CD2-CG2 4.44Å; L931-R1002 HydrophobicContact CD1-CB 3.95Å; L931-R1002 HydrophobicContact CD1-CG 4.05Å; L931-L1003 WeakPolarHBondContact CB-O 3.37Å; L931-L1003 PolarHBondContact N-O 3.02Å; L931-Y1004 HydrophobicContact CB-CD1 4.12Å; L931-Y1004 HydrophobicContact CB-CE1 4.17Å; L931-Y1004 HydrophobicContact CB-CG 4.37Å; L931-Y1004 HydrophobicContact CD1-CD2 4.34Å; L931-Y1004 HydrophobicContact CD1-CE1 4.26Å; L931-Y1004 HydrophobicContact CD1-CE2 3.78Å; L931-Y1004 WeakPolarHBondContact O-CA 3.43Å; L931-F1005 PolarHBondContact O-N 2.77Å
932Y97Very high88.2Confident0 Ų029.1 Ų29.10%017%0.169CC..EExtended strand (participates in β ladder)trans-138.6154.3169.869.1-83.2000110.4Y746 I779 R781 K915 I917 T934Y746-Y932 HydrophobicContact CD1-CE1 4.42Å; I779-Y932 HydrophobicContact CB-CD1 4.36Å; I779-Y932 HydrophobicContact CB-CD2 4.1Å; I779-Y932 HydrophobicContact CB-CG 3.91Å; I779-Y932 HydrophobicContact CG2-CD1 3.8Å; I779-Y932 HydrophobicContact CG2-CD2 3.83Å; I779-Y932 HydrophobicContact CG2-CE1 3.95Å; I779-Y932 HydrophobicContact CG2-CE2 3.99Å; I779-Y932 HydrophobicContact CG2-CG 3.73Å; R781-Y932 WeakPolarHBondContact CD-OH 3.45Å; R781-Y932 HydrophobicContact CG-CE2 4.41Å; K915-Y932 HydrophobicContact CB-CD1 4.16Å; K915-Y932 HydrophobicContact CB-CE1 3.56Å; K915-Y932 HydrophobicContact CB-CE2 3.97Å; K915-Y932 VanDerWaalsContact CB-CZ 3.45Å; K915-Y932 HydrophobicContact CG-CE2 4.45Å; K915-Y932 PolarHBondContact N-O 3.01Å; K915-Y932 WeakPolarHBondContact O-CD1 3.35Å; K915-Y932 PolarHBondContact O-N 3.36Å; I917-Y932 HydrophobicContact CD1-CD1 3.92Å; I917-Y932 HydrophobicContact CD1-CE1 4.01Å; Y932-T934 HydrophobicContact CE2-CG2 4.02Å
933H95.6Very high88.6Confident8 Ų835.5 Ų35.54%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-86.9142.8175.2-80.7-170.8000110.4K789 P912 H913 Y1004 E1006 I1016K789-H933 PolarHBondContact NZ-O 3.46Å; P912-H933 HydrophobicContact CB-CB 3.91Å; H913-H933 CarbonylContact O-C 3.56Å; H913-H933 WeakPolarHBondContact O-CA 3.46Å; H933-Y1004 AromaticContact CD2-CE1 3.9Å; H933-Y1004 AromaticContact NE2-CD1 3.95Å; H933-Y1004 AromaticContact NE2-CE1 3.56Å; H933-E1006 WeakPolarHBondContact CA-OE1 3.39Å; H933-E1006 HydrophobicContact CB-CG 4.18Å; H933-E1006 WeakPolarHBondContact CB-OE1 3.43Å; H933-E1006 PolarHBondContact N-OE1 3.28Å; H933-I1016 WeakPolarHBondContact CE1-CG1 3.48Å
934T96.9Very high89.3Confident0 Ų037.3 Ų37.30%021%0.21CC..EExtended strand (participates in β ladder)trans-150.3148.5166.6-176.20000111.8R781 E785 H913 K915 Y932 N936R781-T934 HydrophobicContact CG-CG2 3.97Å; E785-T934 VanDerWaalsContact CD-OG1 3.26Å; E785-T934 WeakPolarHBondContact OE1-CA 3.32Å; E785-T934 WeakPolarHBondContact OE1-CB 3.45Å; E785-T934 PolarHBondContact OE1-OG1 3.18Å; E785-T934 PolarHBondContact OE2-OG1 3.28Å; H913-T934 PolarHBondContact N-O 3.35Å; H913-T934 PolarHBondContact O-N 2.64Å; K915-T934 HydrophobicContact CB-CG2 4.48Å; K915-T934 HydrophobicContact CG-CG2 3.54Å; Y932-T934 HydrophobicContact CE2-CG2 4.02Å; T934-N936 VanDerWaalsContact C-N 3.34Å; T934-N936 WeakPolarHBondContact OG1-CB 3.49Å; T934-N936 PolarHBondContact OG1-N 2.77Å
935Y96.4Very high89.9Confident20 Ų2040.4 Ų40.48%0.07824%0.235CC..SBendtrans-91.8-2.5170.5-67-94.2000112.4K881 R882 R905 I910 P912 G937K881-Y935 HydrophobicContact CB-CD1 3.55Å; K881-Y935 HydrophobicContact CB-CD2 3.67Å; K881-Y935 HydrophobicContact CB-CE1 3.83Å; K881-Y935 HydrophobicContact CB-CE2 3.96Å; K881-Y935 HydrophobicContact CB-CG 3.45Å; K881-Y935 VanDerWaalsContact CB-CG 3.45Å; K881-Y935 VanDerWaalsContact CE-CE2 3.42Å; K881-Y935 VanDerWaalsContact CE-OH 3.22Å; K881-Y935 WeakPolarHBondContact CE-OH 3.39Å; K881-Y935 HydrophobicContact CG-CD1 4.18Å; K881-Y935 HydrophobicContact CG-CE1 4Å; K881-Y935 HydrophobicContact CG-CE2 4.47Å; K881-Y935 HydrophobicContact CG-CG 4.48Å; R882-Y935 VanDerWaalsContact CG-O 3.3Å; R882-Y935 WeakPolarHBondContact CG-O 3.36Å; R882-Y935 PolarHBondContact NE-O 3Å; R905-Y935 VanDerWaalsContact CZ-OH 3.22Å; R905-Y935 PolarHBondContact NH1-OH 2.89Å; I910-Y935 HydrophobicContact CG2-CD1 3.97Å; I910-Y935 HydrophobicContact CG2-CE1 3.91Å; P912-Y935 HydrophobicContact CB-CD2 4.42Å; P912-Y935 HydrophobicContact CB-CE1 4.24Å; P912-Y935 HydrophobicContact CB-CE2 3.95Å; Y935-G937 VanDerWaalsContact C-N 3.27Å; Y935-G937 PolarHBondContact O-N 2.93Å
936N94.6Very high90.7Very high30 Ų3036.4 Ų36.416%0.1621%0.211CC..SBendtrans-93.948.2175.7-65-66.6000110.6R781 N782 E785 R882 T934R781-N936 HydrophobicContact CB-CB 3.57Å; R781-N936 HydrophobicContact CG-CB 4.07Å; N782-N936 PolarHBondContact ND2-ND2 2.87Å; E785-N936 PolarHBondContact OE2-ND2 2.75Å; R882-N936 WeakPolarHBondContact CB-OD1 3.36Å; R882-N936 WeakPolarHBondContact CD-OD1 3.12Å; R882-N936 VanDerWaalsContact CG-OD1 3.32Å; R882-N936 WeakPolarHBondContact CG-OD1 3.32Å; R882-N936 PolarHBondContact O-ND2 3.33Å; T934-N936 VanDerWaalsContact C-N 3.34Å; T934-N936 WeakPolarHBondContact OG1-CB 3.49Å; T934-N936 PolarHBondContact OG1-N 2.77Å
937G92.3Very high91.6Very high10 Ų1037.1 Ų37.110%0.10322%0.22CC..  trans-146.5164.717600000111.5D133 H913 Y935D133-G937 WeakPolarHBondContact OD2-CA 3.23Å; H913-G937 VanDerWaalsContact CD2-C 3.43Å; H913-G937 PolarHBondContact CD2-O 2.83Å; H913-G937 PolarHBondContact NE2-O 3.32Å; Y935-G937 VanDerWaalsContact C-N 3.27Å; Y935-G937 PolarHBondContact O-N 2.93Å
938S92.5Very high92.6Very high72 Ų7234.1 Ų34.150%0.50320%0.197SC..SBendtrans-113.5-13.517657.20000114.1D133D133-S938 PolarHBondContact OD2-N 3.24Å; D133-S938 PolarHBondContact OD2-OG 2.95Å
939E94.3Very high93.5Very high79 Ų7933.6 Ų33.637%0.36919%0.194SC..SBendtrans-152.4161-178.459.4174.6-142.700111.7A136 K139 K915A136-E939 HydrophobicContact CB-CG 4.06Å; K139-E939 WeakPolarHBondContact CE-OE1 3.33Å; K139-E939 IonicContact NZ-OE1 3.16Å; K139-E939 PolarHBondContact NZ-OE1 3.44Å; K915-E939 WeakPolarHBondContact CE-O 3.31Å; K915-E939 PolarHBondContact NZ-O 2.64Å
940H95.3Very high94.1Very high65 Ų6532.6 Ų32.630%0.30119%0.189SC..  trans-82.4147.5172.7-56.8-91.3000110.6P912 H913 V914 F944 M1019P912-H940 PolarHBondContact O-CE1 3.21Å; H913-H940 AromaticContact ND1-CD2 3.81Å; H913-H940 AromaticContact ND1-CE1 3.87Å; H913-H940 AromaticContact ND1-NE2 3.55Å; V914-H940 PolarHBondContact N-ND1 3.39Å; V914-H940 CarbonylContact O-C 3.49Å; V914-H940 WeakPolarHBondContact O-CA 3.31Å; H940-F944 HydrophobicContact CB-CE2 3.9Å; H940-F944 HydrophobicContact CB-CZ 4.19Å; H940-F944 AromaticContact CG-CE2 3.61Å; H940-F944 AromaticContact CG-CZ 3.92Å; H940-F944 AromaticContact ND1-CE2 3.66Å; H940-F944 AromaticContact ND1-CZ 3.57Å; H940-M1019 PolarHBondContact CE1-SD 3.25Å
941D93.5Very high94.4Very high13 Ų1332.5 Ų32.57%0.0719%0.188CC..SBendtrans-84.8-14173.4-75.6-12.6000112.5R135 K139 V914 K915 Q916 W924R135-D941 IonicContact CZ-OD2 3.92Å; R135-D941 IonicContact NH1-OD2 3.14Å; R135-D941 PolarHBondContact NH1-OD2 3.14Å; K139-D941 WeakPolarHBondContact CD-OD1 3.35Å; K139-D941 IonicContact NZ-OD1 3.15Å; K139-D941 PolarHBondContact NZ-OD1 3.28Å; V914-D941 PolarHBondContact O-N 3.47Å; K915-D941 WeakPolarHBondContact CA-OD2 3.31Å; Q916-D941 HydrophobicContact CB-CB 3.94Å; Q916-D941 PolarHBondContact N-OD2 3.28Å; W924-D941 HydrophobicContact CH2-CB 3.79Å; W924-D941 WeakPolarHBondContact CH2-O 3.38Å; W924-D941 HydrophobicContact CZ3-CB 4.24Å
942V92.6Very high94.5Very high26 Ų2632.3 Ų32.316%0.15819%0.187CC..SBendtrans-128.6153.1-178.3-60.90000111.7V914 L931 F944V914-V942 HydrophobicContact CB-CG2 4.26Å; V914-V942 HydrophobicContact CG1-CG2 3.79Å; L931-V942 HydrophobicContact CD1-CG2 4.39Å; L931-V942 HydrophobicContact CD2-CG1 3.8Å; L931-V942 HydrophobicContact CD2-CG2 4.44Å; V942-F944 HydrophobicContact CG2-CE1 4.08Å; V942-F944 HydrophobicContact CG2-CZ 3.99Å; V942-F944 WeakPolarHBondContact O-CE2 3.48Å
943D92.4Very high94.5Very high138 Ų13832.3 Ų32.374%0.73819%0.187SC*.  trans-82.1164.8170.5-64.9-45.2000111.7P945 R1002D943-P945 WeakPolarHBondContact O-CD 3.4Å; D943-R1002 PolarHBondContact O-NH1 3.38Å; D943-R1002 PolarHBondContact O-NH2 3.18Å
944F95Very high94.3Very high59 Ų5932 Ų3226%0.25919%0.186SC..  trans-124.180-179.4-57-80000111.4V914 H940 V942 G946 M1019 E1020V914-F944 HydrophobicContact CB-CZ 4.09Å; V914-F944 HydrophobicContact CG2-CE1 4.08Å; V914-F944 HydrophobicContact CG2-CZ 3.75Å; H940-F944 HydrophobicContact CB-CE2 3.9Å; H940-F944 HydrophobicContact CB-CZ 4.19Å; H940-F944 AromaticContact CG-CE2 3.61Å; H940-F944 AromaticContact CG-CZ 3.92Å; H940-F944 AromaticContact ND1-CE2 3.66Å; H940-F944 AromaticContact ND1-CZ 3.57Å; V942-F944 HydrophobicContact CG2-CE1 4.08Å; V942-F944 HydrophobicContact CG2-CZ 3.99Å; V942-F944 WeakPolarHBondContact O-CE2 3.48Å; F944-G946 VanDerWaalsContact C-N 3.28Å; F944-G946 PolarHBondContact O-N 2.99Å; F944-M1019 WeakPolarHBondContact CB-O 3.31Å; F944-M1019 HydrophobicContact CD1-CG 3.93Å; F944-M1019 HydrophobicContact CD1-SD 4.48Å; F944-M1019 HydrophobicContact CD2-CG 4.24Å; F944-M1019 HydrophobicContact CE1-CG 3.66Å; F944-M1019 HydrophobicContact CE1-SD 3.62Å; F944-M1019 HydrophobicContact CE2-CG 3.99Å; F944-M1019 HydrophobicContact CE2-SD 3.98Å; F944-M1019 HydrophobicContact CG-CG 4.22Å; F944-M1019 WeakPolarHBondContact CG-O 3.46Å; F944-M1019 HydrophobicContact CZ-CG 3.7Å; F944-M1019 HydrophobicContact CZ-SD 3.33Å; F944-M1019 WeakPolarHBondContact CZ-SD 2.98Å; F944-E1020 HydrophobicContact CD1-CG 4.15Å; F944-E1020 HydrophobicContact CE1-CG 4.47Å
945P90.7Very high94.2Very high102 Ų10232 Ų3266%0.66219%0.186SC*.  trans-74-12.8-17529.5-35.5000114.5D943D943-P945 WeakPolarHBondContact O-CD 3.4Å
946G90.8Very high94.1Very high14 Ų1431 Ų3114%0.14418%0.182CC..  trans80.5179.2-17300000114F944 H948 E1020F944-G946 VanDerWaalsContact C-N 3.28Å; F944-G946 PolarHBondContact O-N 2.99Å; G946-H948 PolarHBondContact O-N 3.49Å; G946-H948 PolarHBondContact O-ND1 2.85Å; G946-E1020 WeakPolarHBondContact CA-O 3.46Å
947G88.3Confident94Very high27 Ų2729.8 Ų29.828%0.27818%0.175SC..  trans84.81.6171.900000115.8
948H95.3Very high93.9Very high16 Ų1631.8 Ų31.87%0.07418%0.18CC..PPolyproline II helixtrans-80.6148.6177-63.486.7000111.8G946 P982 I984 E1020 S1022 E1023G946-H948 PolarHBondContact O-N 3.49Å; G946-H948 PolarHBondContact O-ND1 2.85Å; H948-P982 WeakPolarHBondContact CA-O 3.28Å; H948-P982 WeakPolarHBondContact CD2-CB 3.05Å; H948-I984 HydrophobicContact CB-CD1 3.32Å; H948-I984 HydrophobicContact CB-CG1 3.68Å; H948-E1020 IonicContact ND1-OE2 2.68Å; H948-S1022 CarbonylContact O-C 3.59Å; H948-S1022 WeakPolarHBondContact O-CA 3.38Å; H948-S1022 WeakPolarHBondContact O-CB 3.49Å; H948-E1023 PolarHBondContact O-N 3.04Å
949T97.3Very high93.7Very high0 Ų028.7 Ų28.70%016%0.157CC..EExtended strand (participates in β ladder)trans-101.6123.9167.7-58.30000109.4L976 P982 I984 I1026 L1049T949-L976 HydrophobicContact CG2-CD1 4.09Å; T949-P982 PolarHBondContact N-O 3.08Å; T949-I984 PolarHBondContact O-N 2.76Å; T949-I1026 HydrophobicContact CG2-CD1 3.85Å; T949-I1026 HydrophobicContact CG2-CG1 4.13Å; T949-L1049 HydrophobicContact CG2-CD1 3.84Å
950I98.2Very high93.3Very high0 Ų025.7 Ų25.70%015%0.147CC..EExtended strand (participates in β ladder)trans-82.9129.3177.3-64.3172.9000109.2V952 I984 I986 I1016 Y1017 S1022 G1024 I1025 I1026I950-V952 HydrophobicContact CG2-CG2 4Å; I950-I984 CarbonylContact C-O 3.51Å; I950-I984 WeakPolarHBondContact CA-O 3.47Å; I950-I984 HydrophobicContact CG1-CB 3.93Å; I950-I984 HydrophobicContact CG1-CD1 3.97Å; I950-I984 HydrophobicContact CG1-CG2 4.02Å; I950-I986 HydrophobicContact CG2-CD1 3.66Å; I950-I986 HydrophobicContact CG2-CG1 4.07Å; I950-I1016 HydrophobicContact CD1-CG2 4.2Å; I950-Y1017 HydrophobicContact CD1-CD2 4.27Å; I950-S1022 WeakPolarHBondContact CD1-OG 3.47Å; I950-S1022 WeakPolarHBondContact CG1-OG 3.37Å; I950-G1024 PolarHBondContact N-O 3.5Å; I950-I1025 HydrophobicContact CB-CG1 4.35Å; I950-I1025 HydrophobicContact CB-CG2 4.37Å; I950-I1025 HydrophobicContact CD1-CG1 4.35Å; I950-I1025 HydrophobicContact CG2-CG2 4.11Å; I950-I1025 CarbonylContact O-C 3.57Å; I950-I1026 PolarHBondContact O-N 3.08Å
951V98.4Very high92.9Very high0 Ų023.2 Ų23.20%014%0.137CC..EExtended strand (participates in β ladder)trans-110.8123.4165-176.70000107.7A969 L973 L976 I984 M985 I986 I1026 M1029V951-A969 HydrophobicContact CG1-CB 4.34Å; V951-L973 HydrophobicContact CB-CD2 4.07Å; V951-L973 HydrophobicContact CG2-CD2 3.82Å; V951-L973 HydrophobicContact CG2-CG 4.41Å; V951-L976 HydrophobicContact CG2-CD1 3.76Å; V951-I984 PolarHBondContact N-O 2.8Å; V951-M985 HydrophobicContact CB-SD 4.2Å; V951-M985 HydrophobicContact CG1-SD 4.19Å; V951-M985 WeakPolarHBondContact O-CA 3.39Å; V951-I986 PolarHBondContact O-N 3.44Å; V951-I986 VanDerWaalsContact O-N 3.12Å; V951-I1026 HydrophobicContact CG2-CB 4.48Å; V951-I1026 HydrophobicContact CG2-CD1 4.39Å; V951-M1029 HydrophobicContact CG1-CB 4.48Å
952V97.9Very high92.7Very high0 Ų023 Ų230%014%0.136CC..EExtended strand (participates in β ladder)trans-94.1125.9178.5-171.60000109.2I950 I1008 I1025 I1026 L1027 P1034I950-V952 HydrophobicContact CG2-CG2 4Å; V952-I1008 HydrophobicContact CG1-CB 4.38Å; V952-I1008 HydrophobicContact CG1-CD1 3.97Å; V952-I1008 HydrophobicContact CG1-CG1 3.92Å; V952-I1008 HydrophobicContact CG1-CG2 3.53Å; V952-I1025 HydrophobicContact CG2-CG2 3.67Å; V952-I1026 PolarHBondContact N-O 3.28Å; V952-I1026 VanDerWaalsContact N-O 3.13Å; V952-L1027 HydrophobicContact CB-CD2 4.18Å; V952-L1027 HydrophobicContact CG2-CD2 3.73Å; V952-P1034 HydrophobicContact CB-CB 4.06Å; V952-P1034 HydrophobicContact CB-CG 4.14Å; V952-P1034 HydrophobicContact CG1-CB 3.89Å; V952-P1034 HydrophobicContact CG1-CG 3.76Å
953G95.5Very high92.7Very high0 Ų022 Ų220%013%0.13CC..  trans-77.2-174.4-175.600000115.3I986 I1008 P1034G953-I986 PolarHBondContact N-O 3.03Å; G953-I1008 VanDerWaalsContact O-CD1 3.31Å; G953-I1008 WeakPolarHBondContact O-CD1 3.23Å; G953-P1034 VanDerWaalsContact O-CG 3.24Å; G953-P1034 WeakPolarHBondContact O-CG 3.18Å
954S92.6Very high92.8Very high0 Ų015.6 Ų15.60%010%0.096CC..  trans-78.3-19.9-179.959.80000114.5G1030S954-G1030 WeakPolarHBondContact CA-O 3.49Å
955G94.1Very high92.9Very high0 Ų013 Ų130%09%0.085CC..  trans68.6-150.1-167.200000112N987 Y988 N989G955-N987 VanDerWaalsContact CA-OD1 3.23Å; G955-N987 WeakPolarHBondContact CA-OD1 3.48Å; G955-N987 PolarHBondContact N-OD1 2.75Å; G955-Y988 WeakPolarHBondContact CA-OH 3.45Å; G955-N989 WeakPolarHBondContact O-CB 3.28Å
956V94.1Very high93.1Very high0 Ų08.3 Ų8.30%05%0.054CC..SBendtrans-62.2140.7-176.969.10000113.2R753 V776 R958 Y988R753-V956 HydrophobicContact CB-CG2 3.55Å; R753-V956 HydrophobicContact CG-CG1 4.37Å; R753-V956 HydrophobicContact CG-CG2 3.97Å; V776-V956 HydrophobicContact CG1-CB 3.55Å; V776-V956 HydrophobicContact CG1-CG1 4.49Å; V776-V956 HydrophobicContact CG1-CG2 3.49Å; V776-V956 VanDerWaalsContact CG1-CG2 3.49Å; V956-R958 PolarHBondContact O-N 2.53Å; V956-Y988 HydrophobicContact CB-CE2 4.03Å; V956-Y988 VanDerWaalsContact N-CE2 3.33Å
957Y92.4Very high93.3Very high4 Ų48.2 Ų8.22%0.0165%0.05CC..  trans-65.7128167.5-69.4-16.3000111.1S961 S962 V963 N989 E991 T992Y957-S961 WeakPolarHBondContact CA-O 3.36Å; Y957-S962 VanDerWaalsContact CE1-C 3.46Å; Y957-V963 HydrophobicContact CE1-CG1 4.48Å; Y957-V963 HydrophobicContact CE2-CG1 3.99Å; Y957-V963 WeakPolarHBondContact OH-CG1 3.34Å; Y957-N989 VanDerWaalsContact CD1-ND2 3.31Å; Y957-N989 WeakPolarHBondContact CD1-ND2 3.43Å; Y957-N989 VanDerWaalsContact CG-ND2 3.3Å; Y957-N989 PolarHBondContact N-ND2 3.42Å; Y957-E991 HydrophobicContact CE2-CB 4.21Å; Y957-T992 HydrophobicContact CE1-CG2 3.82Å; Y957-T992 WeakPolarHBondContact OH-CG2 3.03Å
958R91Very high93.8Very high53 Ų537 Ų720%0.24%0.036CC..BIsolated β-bridgetrans-145.9161.7178.268.4-175.295-176.95.2108.8R753 V956 G960 S961R753-R958 HydrophobicContact CG-CB 4.41Å; V956-R958 PolarHBondContact O-N 2.53Å; R958-G960 PolarHBondContact O-N 2.78Å; R958-S961 PolarHBondContact N-O 3.36Å; R958-S961 CarbonylContact O-C 3.55Å; R958-S961 PolarHBondContact O-N 3.36Å
959I88.2Confident93.9Very high7 Ų76.2 Ų6.24%0.0363%0.033CC..THydrogen-bonded Turntrans-61.6111.3172.8-63.4176.8000107.5D755 K758 F759 V773 M1296 T1299D755-I959 HydrophobicContact CB-CD1 3.96Å; D755-I959 HydrophobicContact CB-CG1 4.19Å; D755-I959 WeakPolarHBondContact OD2-CB 3.39Å; D755-I959 PolarHBondContact OD2-N 2.77Å; K758-I959 HydrophobicContact CD-CB 4.17Å; K758-I959 HydrophobicContact CD-CD1 4.34Å; K758-I959 HydrophobicContact CD-CG2 4.11Å; K758-I959 PolarHBondContact NZ-O 2.93Å; F759-I959 HydrophobicContact CE2-CD1 3.74Å; F759-I959 HydrophobicContact CZ-CD1 3.84Å; V773-I959 HydrophobicContact CG1-CG1 4.32Å; I959-M1296 HydrophobicContact CG2-CB 4.19Å; I959-M1296 HydrophobicContact CG2-CE 3.97Å; I959-M1296 HydrophobicContact CG2-CG 3.99Å; I959-M1296 WeakPolarHBondContact CG2-O 3.45Å; I959-M1296 HydrophobicContact CG2-SD 4.47Å; I959-T1299 HydrophobicContact CG1-CG2 4.4Å
960G84.8Confident93.8Very high15 Ų156.2 Ų6.216%0.1553%0.033CC..THydrogen-bonded Turntrans114.9-15.3-174.700000114.8R958 M1296R958-G960 PolarHBondContact O-N 2.78Å; G960-M1296 VanDerWaalsContact CA-SD 3.5Å
961S87.9Confident93.7Very high13 Ų136.8 Ų6.89%0.0914%0.039CC..BIsolated β-bridgetrans-150.4106.5177179.70000111.2Y957 R958Y957-S961 WeakPolarHBondContact CA-O 3.36Å; R958-S961 PolarHBondContact N-O 3.36Å; R958-S961 CarbonylContact O-C 3.55Å; R958-S961 PolarHBondContact O-N 3.36Å
962S89.9Confident93.6Very high8 Ų86.8 Ų6.86%0.0564%0.039CC..SBendtrans-134.2-150.4179.9-165.20000112.6L414 Y957 E964 F965L414-S962 VanDerWaalsContact CD2-OG 3.26Å; L414-S962 WeakPolarHBondContact CD2-OG 3.39Å; Y957-S962 VanDerWaalsContact CE1-C 3.46Å; S962-E964 VanDerWaalsContact C-OE2 3.31Å; S962-E964 WeakPolarHBondContact CB-OE2 3.31Å; S962-E964 PolarHBondContact N-OE1 3.26Å; S962-E964 PolarHBondContact O-N 3.01Å; S962-F965 PolarHBondContact O-N 3.01Å
963V92.9Very high93.6Very high5 Ų56.9 Ų6.93%0.034%0.039CC..Hα-helixtrans-51.5-26.4-176.2-72.20000114.3L414 A448 Y957 F965 D966 W967L414-V963 HydrophobicContact CD1-CG1 4.23Å; L414-V963 HydrophobicContact CD1-CG2 3.88Å; L414-V963 HydrophobicContact CD2-CB 4.5Å; L414-V963 HydrophobicContact CD2-CG1 3.65Å; L414-V963 HydrophobicContact CD2-CG2 4.08Å; A448-V963 HydrophobicContact CB-CG2 3.69Å; Y957-V963 HydrophobicContact CE1-CG1 4.48Å; Y957-V963 HydrophobicContact CE2-CG1 3.99Å; Y957-V963 WeakPolarHBondContact OH-CG1 3.34Å; V963-F965 VanDerWaalsContact C-N 3.34Å; V963-F965 PolarHBondContact O-N 2.71Å; V963-D966 WeakPolarHBondContact O-CB 3.15Å; V963-D966 PolarHBondContact O-N 2.86Å; V963-W967 WeakPolarHBondContact O-CB 3.47Å; V963-W967 PolarHBondContact O-N 3.28Å
964E94.3Very high93.5Very high4 Ų410.3 Ų10.32%0.0195%0.052CC..Hα-helixtrans-58.9-40.717856.5-86.3-17000113.4A448 S962 W967 C968 R1235 P1238A448-E964 HydrophobicContact CB-CB 4.1Å; S962-E964 VanDerWaalsContact C-OE2 3.31Å; S962-E964 WeakPolarHBondContact CB-OE2 3.31Å; S962-E964 PolarHBondContact N-OE1 3.26Å; S962-E964 PolarHBondContact O-N 3.01Å; E964-W967 WeakPolarHBondContact O-CB 3.49Å; E964-C968 PolarHBondContact O-N 3.29Å; E964-C968 PolarHBondContact O-SG 2.79Å; E964-C968 VanDerWaalsContact O-SG 3.37Å; E964-R1235 HydrophobicContact CB-CB 4.22Å; E964-R1235 HydrophobicContact CG-CB 3.7Å; E964-R1235 HydrophobicContact CG-CG 3.87Å; E964-P1238 HydrophobicContact CB-CG 3.98Å
965F95.4Very high93.7Very high4 Ų410.5 Ų10.52%0.0185%0.053CC..Hα-helixtrans-79.7-31.6179.7-65-69.9000110.9S962 V963 W967 C968 A969 V1233 R1235S962-F965 PolarHBondContact O-N 3.01Å; V963-F965 VanDerWaalsContact C-N 3.34Å; V963-F965 PolarHBondContact O-N 2.71Å; F965-W967 VanDerWaalsContact C-N 3.33Å; F965-C968 PolarHBondContact O-N 2.89Å; F965-A969 PolarHBondContact O-N 3.09Å; F965-V1233 HydrophobicContact CD1-CG2 3.72Å; F965-V1233 HydrophobicContact CE1-CG2 4.01Å; F965-R1235 HydrophobicContact CE2-CG 3.95Å; F965-R1235 HydrophobicContact CZ-CG 3.84Å
966D95.4Very high93.9Very high4 Ų410.5 Ų10.52%0.0215%0.053CC..Hα-helixtrans-62.5-42.3170.3-168.554.4000111V963 C968 A969 V970 T992 V993 S994V963-D966 WeakPolarHBondContact O-CB 3.15Å; V963-D966 PolarHBondContact O-N 2.86Å; D966-C968 VanDerWaalsContact C-N 3.35Å; D966-C968 PolarHBondContact O-N 2.9Å; D966-A969 PolarHBondContact O-N 2.9Å; D966-V970 WeakPolarHBondContact O-CB 3.13Å; D966-V970 WeakPolarHBondContact O-CG2 3.13Å; D966-V970 PolarHBondContact O-N 3.22Å; D966-T992 HydrophobicContact CB-CG2 4.33Å; D966-T992 WeakPolarHBondContact OD1-CB 3.01Å; D966-V993 PolarHBondContact OD2-N 3.23Å; D966-S994 WeakPolarHBondContact OD1-CB 3.16Å; D966-S994 PolarHBondContact OD1-N 2.99Å; D966-S994 PolarHBondContact OD1-OG 3.14Å; D966-S994 PolarHBondContact OD2-N 3.39Å
967W96.1Very high93.9Very high13 Ų1314.4 Ų14.45%0.0497%0.068CC..Hα-helixtrans-58.3-45.1174-177.488.4000112.5A448 V450 S453 V963 E964 F965 V970 G971 P1238 V1249A448-W967 WeakPolarHBondContact O-CB 3.43Å; V450-W967 HydrophobicContact CG2-CB 4.19Å; V450-W967 HydrophobicContact CG2-CG 4.42Å; S453-W967 PolarHBondContact OG-NE1 3.35Å; V963-W967 WeakPolarHBondContact O-CB 3.47Å; V963-W967 PolarHBondContact O-N 3.28Å; E964-W967 WeakPolarHBondContact O-CB 3.49Å; F965-W967 VanDerWaalsContact C-N 3.33Å; W967-V970 PolarHBondContact O-N 3.43Å; W967-G971 PolarHBondContact O-N 2.8Å; W967-P1238 HydrophobicContact CB-CG 4.29Å; W967-P1238 HydrophobicContact CD2-CB 3.94Å; W967-P1238 HydrophobicContact CD2-CG 3.96Å; W967-P1238 HydrophobicContact CE3-CB 3.83Å; W967-P1238 HydrophobicContact CE3-CG 3.57Å; W967-P1238 HydrophobicContact CG-CB 4.32Å; W967-P1238 HydrophobicContact CG-CG 4.24Å; W967-P1238 HydrophobicContact CZ3-CB 4.28Å; W967-P1238 HydrophobicContact CZ3-CG 4.25Å; W967-V1249 HydrophobicContact CE3-CG2 4.06Å; W967-V1249 HydrophobicContact CH2-CG2 4.13Å; W967-V1249 HydrophobicContact CZ3-CB 4.28Å; W967-V1249 HydrophobicContact CZ3-CG2 3.42Å; W967-V1249 VanDerWaalsContact CZ3-CG2 3.42Å
968C97.6Very high93.9Very high0 Ų020.9 Ų20.90%010%0.096CC..Hα-helixtrans-63.9-43.2176.3-68.40000112.5E964 F965 D966 G971 C972 M1029 V1233 V1249E964-C968 PolarHBondContact O-N 3.29Å; E964-C968 PolarHBondContact O-SG 2.79Å; E964-C968 VanDerWaalsContact O-SG 3.37Å; F965-C968 PolarHBondContact O-N 2.89Å; D966-C968 VanDerWaalsContact C-N 3.35Å; D966-C968 PolarHBondContact O-N 2.9Å; C968-G971 PolarHBondContact O-N 2.85Å; C968-C972 WeakPolarHBondContact O-CB 3.42Å; C968-C972 PolarHBondContact O-N 2.89Å; C968-M1029 HydrophobicContact CB-CB 4.49Å; C968-M1029 HydrophobicContact CB-SD 4.36Å; C968-V1233 HydrophobicContact CB-CB 4.19Å; C968-V1233 HydrophobicContact CB-CG1 4Å; C968-V1233 HydrophobicContact CB-CG2 3.76Å; C968-V1249 HydrophobicContact CB-CG2 4.15Å; C968-V1249 WeakPolarHBondContact O-CG1 3.43Å
969A97Very high94.1Very high0 Ų020.9 Ų20.90%010%0.1CC..Hα-helixtrans-62.7-46.7176.600000111.7V951 F965 D966 C972 L973 M985 M1029V951-A969 HydrophobicContact CG1-CB 4.34Å; F965-A969 PolarHBondContact O-N 3.09Å; D966-A969 PolarHBondContact O-N 2.9Å; A969-C972 WeakPolarHBondContact O-CB 3.37Å; A969-C972 PolarHBondContact O-N 2.91Å; A969-L973 WeakPolarHBondContact O-CG 3.46Å; A969-L973 PolarHBondContact O-N 2.8Å; A969-M985 HydrophobicContact CB-CE 4.05Å; A969-M985 HydrophobicContact CB-SD 4.5Å; A969-M1029 HydrophobicContact CB-CB 4.46Å
970V95.7Very high94.4Very high1 Ų129.1 Ų29.11%0.00614%0.138CC..Hα-helixtrans-64.5-40.7177.11730000111.8V450 D966 W967 C972 L973 R974 V993 M999V450-V970 HydrophobicContact CG1-CG1 4.03Å; V450-V970 HydrophobicContact CG2-CB 3.94Å; V450-V970 HydrophobicContact CG2-CG1 4.07Å; V450-V970 HydrophobicContact CG2-CG2 4.11Å; D966-V970 WeakPolarHBondContact O-CB 3.13Å; D966-V970 WeakPolarHBondContact O-CG2 3.13Å; D966-V970 PolarHBondContact O-N 3.22Å; W967-V970 PolarHBondContact O-N 3.43Å; V970-C972 VanDerWaalsContact C-N 3.3Å; V970-C972 PolarHBondContact O-N 2.75Å; V970-L973 PolarHBondContact O-N 3.11Å; V970-R974 HydrophobicContact CG1-CG 4.4Å; V970-R974 WeakPolarHBondContact O-CB 3.3Å; V970-R974 WeakPolarHBondContact O-CG 3.45Å; V970-R974 PolarHBondContact O-N 2.89Å; V970-V993 HydrophobicContact CG2-CB 4.3Å; V970-V993 HydrophobicContact CG2-CG1 4.23Å; V970-M999 HydrophobicContact CG1-SD 4.09Å
971G95.9Very high94.8Very high12 Ų1232.2 Ų32.212%0.12415%0.145CC..Hα-helixtrans-58.3-43.8174.200000111.7W967 C968 R974 E975W967-G971 PolarHBondContact O-N 2.8Å; C968-G971 PolarHBondContact O-N 2.85Å; G971-R974 PolarHBondContact O-N 3.48Å; G971-E975 PolarHBondContact O-N 3.03Å
972C97.8Very high95.1Very high0 Ų034.2 Ų34.20%016%0.158CC..Hα-helixtrans-63.8-46.8176.2-1760000112.1C968 A969 V970 R974 E975 L976 M1029 V1249 T1253C968-C972 WeakPolarHBondContact O-CB 3.42Å; C968-C972 PolarHBondContact O-N 2.89Å; A969-C972 WeakPolarHBondContact O-CB 3.37Å; A969-C972 PolarHBondContact O-N 2.91Å; V970-C972 VanDerWaalsContact C-N 3.3Å; V970-C972 PolarHBondContact O-N 2.75Å; C972-R974 PolarHBondContact O-N 3.03Å; C972-E975 PolarHBondContact O-N 3.18Å; C972-L976 WeakPolarHBondContact O-CB 3.5Å; C972-L976 VanDerWaalsContact O-CG 3.31Å; C972-L976 WeakPolarHBondContact O-CG 3.44Å; C972-L976 PolarHBondContact O-N 3.18Å; C972-M1029 HydrophobicContact CB-CE 4.17Å; C972-M1029 HydrophobicContact CB-CG 3.85Å; C972-M1029 HydrophobicContact CB-SD 4.17Å; C972-V1249 HydrophobicContact CB-CG1 4.25Å; C972-T1253 WeakPolarHBondContact CA-OG1 3.49Å; C972-T1253 PolarHBondContact SG-OG1 3.08Å
973L96.8Very high95.4Very high1 Ų133.9 Ų33.91%0.00516%0.155CC..Hα-helixtrans-58.4-45.4176.9-71.9172000112.1V951 A969 V970 E975 L976 R977 T983 M985 C1000V951-L973 HydrophobicContact CB-CD2 4.07Å; V951-L973 HydrophobicContact CG2-CD2 3.82Å; V951-L973 HydrophobicContact CG2-CG 4.41Å; A969-L973 WeakPolarHBondContact O-CG 3.46Å; A969-L973 PolarHBondContact O-N 2.8Å; V970-L973 PolarHBondContact O-N 3.11Å; L973-E975 VanDerWaalsContact C-N 3.34Å; L973-E975 PolarHBondContact O-N 3.26Å; L973-L976 PolarHBondContact O-N 3.05Å; L973-R977 PolarHBondContact O-N 2.9Å; L973-T983 HydrophobicContact CD2-CG2 3.98Å; L973-M985 HydrophobicContact CD1-CB 4.22Å; L973-M985 HydrophobicContact CD1-CG 4.22Å; L973-M985 HydrophobicContact CD1-SD 3.82Å; L973-M985 HydrophobicContact CG-SD 4.47Å; L973-C1000 HydrophobicContact CD1-CB 4.13Å; L973-C1000 HydrophobicContact CD2-CB 4.09Å
974R94.9Very high95.6Very high73 Ų7333.6 Ų33.628%0.27515%0.154SC..Hα-helixtrans-62.3-42.2178.2-74.4175.1177.4-176.5-1.9111.7V970 G971 C972 R977 K978V970-R974 HydrophobicContact CG1-CG 4.4Å; V970-R974 WeakPolarHBondContact O-CB 3.3Å; V970-R974 WeakPolarHBondContact O-CG 3.45Å; V970-R974 PolarHBondContact O-N 2.89Å; G971-R974 PolarHBondContact O-N 3.48Å; C972-R974 PolarHBondContact O-N 3.03Å; R974-R977 PolarHBondContact O-N 2.93Å; R974-K978 WeakPolarHBondContact O-CG 3.33Å; R974-K978 PolarHBondContact O-N 3.41Å
975E96.6Very high95.8Very high3 Ų333.4 Ų33.41%0.01415%0.153CC..Hα-helixtrans-69.7-41.1178.6-165.264.3-165.900111.7G971 C972 L973 R977 K978 L979 A1250 T1253 R1254G971-E975 PolarHBondContact O-N 3.03Å; C972-E975 PolarHBondContact O-N 3.18Å; L973-E975 VanDerWaalsContact C-N 3.34Å; L973-E975 PolarHBondContact O-N 3.26Å; E975-R977 VanDerWaalsContact C-N 3.3Å; E975-R977 PolarHBondContact O-N 2.86Å; E975-K978 PolarHBondContact O-N 2.86Å; E975-K978 WeakPolarHBondContact OE2-CD 3.46Å; E975-K978 IonicContact OE2-NZ 2.9Å; E975-K978 PolarHBondContact OE2-NZ 2.64Å; E975-L979 VanDerWaalsContact O-CG 3.29Å; E975-L979 WeakPolarHBondContact O-CG 3.44Å; E975-L979 PolarHBondContact O-N 3.08Å; E975-A1250 HydrophobicContact CB-CB 4.49Å; E975-A1250 HydrophobicContact CG-CB 4.02Å; E975-T1253 HydrophobicContact CB-CG2 3.99Å; E975-T1253 HydrophobicContact CG-CG2 4.17Å; E975-R1254 HydrophobicContact CG-CG 4.43Å; E975-R1254 IonicContact OE1-CZ 3.05Å; E975-R1254 IonicContact OE1-NE 3.27Å; E975-R1254 PolarHBondContact OE1-NE 3.48Å; E975-R1254 IonicContact OE1-NH2 3.04Å; E975-R1254 PolarHBondContact OE1-NH2 3.16Å
976L97.3Very high95.9Very high0 Ų033.2 Ų33.20%015%0.152CC..Hα-helixtrans-57-43172.8-72.8172.1000112T949 V951 C972 L973 L979 Q980 R981 T983 I1026 T1253 V1257T949-L976 HydrophobicContact CG2-CD1 4.09Å; V951-L976 HydrophobicContact CG2-CD1 3.76Å; C972-L976 WeakPolarHBondContact O-CB 3.5Å; C972-L976 VanDerWaalsContact O-CG 3.31Å; C972-L976 WeakPolarHBondContact O-CG 3.44Å; C972-L976 PolarHBondContact O-N 3.18Å; L973-L976 PolarHBondContact O-N 3.05Å; L976-L979 CarbonylContact O-C 3.58Å; L976-L979 WeakPolarHBondContact O-CA 3.09Å; L976-L979 WeakPolarHBondContact O-CB 3.4Å; L976-L979 PolarHBondContact O-N 3.27Å; L976-L979 VanDerWaalsContact O-N 3.14Å; L976-Q980 PolarHBondContact O-N 3.31Å; L976-R981 HydrophobicContact CB-CB 4.44Å; L976-R981 HydrophobicContact CD2-CB 4.45Å; L976-R981 PolarHBondContact O-N 2.94Å; L976-T983 HydrophobicContact CB-CG2 3.62Å; L976-T983 HydrophobicContact CD1-CG2 3.93Å; L976-T983 HydrophobicContact CG-CG2 4.44Å; L976-I1026 HydrophobicContact CD1-CD1 4.16Å; L976-T1253 HydrophobicContact CD2-CG2 3.86Å; L976-T1253 HydrophobicContact CG-CG2 3.84Å; L976-V1257 HydrophobicContact CD2-CG1 3.65Å
977R94.1Very high96Very high82 Ų8233 Ų3331%0.30915%0.151SC..Hα-helixtrans-67-39.3176-78.8175158.9-167.7-9.2113.5L973 R974 E975 L979 Q980 T983 D998 M999 C1000 D1001L973-R977 PolarHBondContact O-N 2.9Å; R974-R977 PolarHBondContact O-N 2.93Å; E975-R977 VanDerWaalsContact C-N 3.3Å; E975-R977 PolarHBondContact O-N 2.86Å; R977-L979 PolarHBondContact O-N 3.49Å; R977-Q980 WeakPolarHBondContact O-CA 3.28Å; R977-Q980 PolarHBondContact O-N 3.31Å; R977-T983 HydrophobicContact CG-CG2 4.2Å; R977-D998 PolarHBondContact NH1-O 3.24Å; R977-M999 VanDerWaalsContact CZ-O 3.27Å; R977-M999 PolarHBondContact NH1-O 3.29Å; R977-C1000 VanDerWaalsContact NH2-CA 3.32Å; R977-C1000 PolarHBondContact NH2-O 2.96Å; R977-D1001 IonicContact CZ-OD1 3.83Å; R977-D1001 IonicContact NE-OD1 2.77Å; R977-D1001 PolarHBondContact NE-OD1 2.91Å; R977-D1001 IonicContact NE-OD2 3.7Å; R977-D1001 IonicContact NH2-OD1 2.87Å; R977-D1001 PolarHBondContact NH2-OD1 2.8Å
978K93.5Very high96Very high140 Ų14032.7 Ų32.761%0.60915%0.15SC*.Hα-helixtrans-59.5-32.7170.8-72.3-178.8-150.81530111.7R974 E975 Q980R974-K978 WeakPolarHBondContact O-CG 3.33Å; R974-K978 PolarHBondContact O-N 3.41Å; E975-K978 PolarHBondContact O-N 2.86Å; E975-K978 WeakPolarHBondContact OE2-CD 3.46Å; E975-K978 IonicContact OE2-NZ 2.9Å; E975-K978 PolarHBondContact OE2-NZ 2.64Å; K978-Q980 PolarHBondContact O-N 2.77Å
979L94.6Very high95.9Very high53 Ų5332.7 Ų32.728%0.27715%0.15SC..THydrogen-bonded Turntrans-82.18.1173.6-61.5174.9000113.5E975 L976 R977 R981 R1254 V1257 L1259E975-L979 VanDerWaalsContact O-CG 3.29Å; E975-L979 WeakPolarHBondContact O-CG 3.44Å; E975-L979 PolarHBondContact O-N 3.08Å; L976-L979 CarbonylContact O-C 3.58Å; L976-L979 WeakPolarHBondContact O-CA 3.09Å; L976-L979 WeakPolarHBondContact O-CB 3.4Å; L976-L979 PolarHBondContact O-N 3.27Å; L976-L979 VanDerWaalsContact O-N 3.14Å; R977-L979 PolarHBondContact O-N 3.49Å; L979-R981 VanDerWaalsContact C-N 3.27Å; L979-R981 PolarHBondContact O-N 2.98Å; L979-R1254 HydrophobicContact CD1-CG 4.33Å; L979-V1257 HydrophobicContact CD1-CG2 3.98Å; L979-L1259 HydrophobicContact CD1-CD1 3.69Å; L979-L1259 HydrophobicContact CD2-CD1 3.63Å; L979-L1259 HydrophobicContact CG-CD1 4.3Å
980Q94Very high95.8Very high181 Ų18132.7 Ų32.785%0.84615%0.15SC*.THydrogen-bonded Turntrans58.433.9179-56.9-179.8-11.800113.9L976 R977 K978L976-Q980 PolarHBondContact O-N 3.31Å; R977-Q980 WeakPolarHBondContact O-CA 3.28Å; R977-Q980 PolarHBondContact O-N 3.31Å; K978-Q980 PolarHBondContact O-N 2.77Å
981R92.8Very high95.6Very high80 Ų8032.7 Ų32.730%0.30215%0.15SC..  trans-100.6124.5175.8-69.2179.9164.6-82.7-0.6110.4L976 L979 T983 E1023L976-R981 HydrophobicContact CB-CB 4.44Å; L976-R981 HydrophobicContact CD2-CB 4.45Å; L976-R981 PolarHBondContact O-N 2.94Å; L979-R981 VanDerWaalsContact C-N 3.27Å; L979-R981 PolarHBondContact O-N 2.98Å; R981-T983 WeakPolarHBondContact O-CG2 3.48Å; R981-E1023 IonicContact CZ-OE2 3.17Å; R981-E1023 IonicContact NH1-OE2 2.85Å; R981-E1023 PolarHBondContact NH1-OE2 2.83Å
982P94.1Very high95.4Very high55 Ų5532.1 Ų32.136%0.35714%0.144SC..  trans-61.1140.4173.7-21.933.1000111.7H948 T949 D1001H948-P982 WeakPolarHBondContact CA-O 3.28Å; H948-P982 WeakPolarHBondContact CD2-CB 3.05Å; T949-P982 PolarHBondContact N-O 3.08Å; P982-D1001 WeakPolarHBondContact CA-OD2 3.45Å
983T97Very high95.1Very high0 Ų032.4 Ų32.40%015%0.146CC..EExtended strand (participates in β ladder)trans-123.6135.8-168.554.90000112.6L973 L976 R977 R981 D1001 R1002L973-T983 HydrophobicContact CD2-CG2 3.98Å; L976-T983 HydrophobicContact CB-CG2 3.62Å; L976-T983 HydrophobicContact CD1-CG2 3.93Å; L976-T983 HydrophobicContact CG-CG2 4.44Å; R977-T983 HydrophobicContact CG-CG2 4.2Å; R981-T983 WeakPolarHBondContact O-CG2 3.48Å; T983-D1001 PolarHBondContact N-OD2 3.08Å; T983-D1001 WeakPolarHBondContact O-CB 3.41Å; T983-D1001 PolarHBondContact O-N 3.28Å; T983-D1001 VanDerWaalsContact O-N 3.16Å; T983-D1001 PolarHBondContact OG1-N 3.38Å; T983-D1001 PolarHBondContact OG1-OD2 2.74Å; T983-R1002 PolarHBondContact O-N 2.73Å; T983-R1002 VanDerWaalsContact O-N 3.16Å
984I97.7Very high94.9Very high0 Ų032.4 Ų32.40%015%0.145CC..EExtended strand (participates in β ladder)trans-112.5132.2166.3-69.5159.6000108.2H948 T949 I950 V951 I986 R1002 Y1004 I1016 E1020H948-I984 HydrophobicContact CB-CD1 3.32Å; H948-I984 HydrophobicContact CB-CG1 3.68Å; T949-I984 PolarHBondContact O-N 2.76Å; I950-I984 CarbonylContact C-O 3.51Å; I950-I984 WeakPolarHBondContact CA-O 3.47Å; I950-I984 HydrophobicContact CG1-CB 3.93Å; I950-I984 HydrophobicContact CG1-CD1 3.97Å; I950-I984 HydrophobicContact CG1-CG2 4.02Å; V951-I984 PolarHBondContact N-O 2.8Å; I984-I986 HydrophobicContact CG2-CG1 4.24Å; I984-R1002 CarbonylContact C-O 3.45Å; I984-R1002 WeakPolarHBondContact CA-O 3.13Å; I984-R1002 HydrophobicContact CG1-CB 4Å; I984-Y1004 HydrophobicContact CG2-CD2 3.68Å; I984-Y1004 HydrophobicContact CG2-CE2 3.99Å; I984-I1016 HydrophobicContact CG2-CG2 4.49Å; I984-E1020 HydrophobicContact CD1-CB 3.73Å; I984-E1020 HydrophobicContact CD1-CG 3.57Å
985M97.8Very high94.8Very high0 Ų028.9 Ų28.90%013%0.132CC..EExtended strand (participates in β ladder)trans-109.1133.6169.5-174.866.4-165.800109.7V951 A969 L973 N987 C1000 R1002 L1003 Y1004V951-M985 HydrophobicContact CB-SD 4.2Å; V951-M985 HydrophobicContact CG1-SD 4.19Å; V951-M985 WeakPolarHBondContact O-CA 3.39Å; A969-M985 HydrophobicContact CB-CE 4.05Å; A969-M985 HydrophobicContact CB-SD 4.5Å; L973-M985 HydrophobicContact CD1-CB 4.22Å; L973-M985 HydrophobicContact CD1-CG 4.22Å; L973-M985 HydrophobicContact CD1-SD 3.82Å; L973-M985 HydrophobicContact CG-SD 4.47Å; M985-N987 HydrophobicContact CE-CB 3.73Å; M985-C1000 HydrophobicContact CB-CB 3.85Å; M985-C1000 WeakPolarHBondContact CB-SG 3.37Å; M985-R1002 PolarHBondContact N-O 2.98Å; M985-L1003 HydrophobicContact CB-CD1 3.82Å; M985-L1003 HydrophobicContact CG-CD1 3.79Å; M985-Y1004 PolarHBondContact O-N 2.98Å
986I98.2Very high94.4Very high0 Ų028.8 Ų28.80%013%0.132CC..EExtended strand (participates in β ladder)trans-115.1112.1170.4-52.3174.4000108.2I950 V951 G953 I984 I1008 V1013 I1016I950-I986 HydrophobicContact CG2-CD1 3.66Å; I950-I986 HydrophobicContact CG2-CG1 4.07Å; V951-I986 PolarHBondContact O-N 3.44Å; V951-I986 VanDerWaalsContact O-N 3.12Å; G953-I986 PolarHBondContact N-O 3.03Å; I984-I986 HydrophobicContact CG2-CG1 4.24Å; I986-I1008 HydrophobicContact CG2-CG1 4.32Å; I986-V1013 HydrophobicContact CD1-CG1 4.36Å; I986-V1013 HydrophobicContact CD1-CG2 4.16Å; I986-I1016 HydrophobicContact CD1-CB 4.28Å; I986-I1016 HydrophobicContact CD1-CD1 3.74Å; I986-I1016 HydrophobicContact CD1-CG2 4.13Å; I986-I1016 HydrophobicContact CG1-CD1 4.06Å; I986-I1016 HydrophobicContact CG2-CD1 4.34Å
987N97.3Very high93.6Very high0 Ų030.2 Ų30.20%014%0.137CC..EExtended strand (participates in β ladder)trans-160.5161.8177.9-160.710.3000110.6G955 M985 T992 S994 T995 Y1004 F1005G955-N987 VanDerWaalsContact CA-OD1 3.23Å; G955-N987 WeakPolarHBondContact CA-OD1 3.48Å; G955-N987 PolarHBondContact N-OD1 2.75Å; M985-N987 HydrophobicContact CE-CB 3.73Å; N987-T992 PolarHBondContact ND2-OG1 2.9Å; N987-S994 PolarHBondContact ND2-OG 2.92Å; N987-T995 HydrophobicContact CB-CG2 3.86Å; N987-Y1004 PolarHBondContact N-O 3.24Å; N987-Y1004 VanDerWaalsContact O-O 3.06Å; N987-F1005 VanDerWaalsContact O-CA 3.3Å; N987-F1005 WeakPolarHBondContact O-CA 3.37Å
988Y96.6Very high93.1Very high6 Ų628.1 Ų28.12%0.02413%0.132CC..  trans-140.510.6-173.254.9-99.7000114.3V776 M777 M793 G955 V956 P990 E1006 I1008 L1033V776-Y988 HydrophobicContact CB-CD2 3.96Å; V776-Y988 HydrophobicContact CB-CE2 4.33Å; V776-Y988 HydrophobicContact CG1-CD2 3.78Å; V776-Y988 HydrophobicContact CG1-CE2 3.66Å; M777-Y988 PolarHBondContact N-O 2.89Å; M793-Y988 HydrophobicContact CB-CD2 3.65Å; M793-Y988 HydrophobicContact CB-CE2 3.65Å; M793-Y988 HydrophobicContact CB-CG 4.17Å; M793-Y988 HydrophobicContact CE-CG 4.35Å; M793-Y988 HydrophobicContact CG-CD1 4.14Å; M793-Y988 HydrophobicContact CG-CD2 3.86Å; M793-Y988 HydrophobicContact CG-CE1 4.42Å; M793-Y988 HydrophobicContact CG-CE2 4.16Å; M793-Y988 HydrophobicContact CG-CG 3.83Å; M793-Y988 VanDerWaalsContact O-CE2 3.27Å; M793-Y988 WeakPolarHBondContact O-CE2 3.5Å; M793-Y988 PolarHBondContact O-OH 2.83Å; M793-Y988 HydrophobicContact SD-CD2 4.17Å; M793-Y988 HydrophobicContact SD-CG 3.97Å; G955-Y988 WeakPolarHBondContact CA-OH 3.45Å; V956-Y988 HydrophobicContact CB-CE2 4.03Å; V956-Y988 VanDerWaalsContact N-CE2 3.33Å; Y988-P990 WeakPolarHBondContact O-CD 3.31Å; Y988-E1006 VanDerWaalsContact CD1-O 3.27Å; Y988-E1006 WeakPolarHBondContact CD1-O 3.31Å; Y988-I1008 HydrophobicContact CD1-CD1 4.33Å; Y988-I1008 HydrophobicContact CD1-CG1 4.13Å; Y988-I1008 HydrophobicContact CE1-CB 4.03Å; Y988-I1008 HydrophobicContact CE1-CD1 3.81Å; Y988-I1008 HydrophobicContact CE1-CG1 3.73Å; Y988-L1033 HydrophobicContact CE1-CD2 4.49Å; Y988-L1033 VanDerWaalsContact OH-CD2 3.3Å; Y988-L1033 WeakPolarHBondContact OH-CD2 3.4Å
989N95.2Very high92.9Very high0 Ų022.3 Ų22.30%011%0.108CC..  trans-93.7111.8177.6-179.4-13.3000110.1E775 G955 Y957 E991 T992 T995E775-N989 PolarHBondContact O-OD1 2.81Å; G955-N989 WeakPolarHBondContact O-CB 3.28Å; Y957-N989 VanDerWaalsContact CD1-ND2 3.31Å; Y957-N989 WeakPolarHBondContact CD1-ND2 3.43Å; Y957-N989 VanDerWaalsContact CG-ND2 3.3Å; Y957-N989 PolarHBondContact N-ND2 3.42Å; N989-E991 PolarHBondContact O-N 3.43Å; N989-E991 WeakPolarHBondContact OD1-CB 3.41Å; N989-E991 PolarHBondContact OD1-N 3.38Å; N989-T992 HydrophobicContact CB-CG2 3.75Å; N989-T992 PolarHBondContact O-N 2.95Å; N989-T992 PolarHBondContact O-OG1 2.81Å; N989-T995 WeakPolarHBondContact O-CG2 3.35Å; N989-T995 PolarHBondContact O-OG1 3.14Å
990P93.7Very high92.8Very high0 Ų019.9 Ų19.90%010%0.095CC..THydrogen-bonded Turntrans-68.6-16-176.531.3-37.7000114L703 K706 E775 M777 Y988 T992L703-P990 HydrophobicContact CD1-CB 4.47Å; L703-P990 HydrophobicContact CD1-CG 4.34Å; K706-P990 HydrophobicContact CB-CB 4.27Å; K706-P990 HydrophobicContact CG-CB 3.92Å; E775-P990 HydrophobicContact CG-CG 3.9Å; M777-P990 HydrophobicContact CB-CB 4.13Å; M777-P990 HydrophobicContact CB-CG 3.9Å; M777-P990 HydrophobicContact SD-CB 4.25Å; Y988-P990 WeakPolarHBondContact O-CD 3.31Å; P990-T992 VanDerWaalsContact C-N 3.26Å; P990-T992 PolarHBondContact O-N 3Å
991E91.9Very high92.7Very high1 Ų114.4 Ų14.41%0.0057%0.072CC..THydrogen-bonded Turntrans-79.4-6179.5-56.9175.1118.900112.8A419 G420 R699 G774 E775 Y957 N989A419-E991 WeakPolarHBondContact CB-OE1 3.48Å; G420-E991 CarbonylContact C-O 3.16Å; R699-E991 IonicContact CZ-OE1 2.73Å; R699-E991 IonicContact NE-OE1 3.22Å; R699-E991 PolarHBondContact NE-OE1 3.42Å; R699-E991 IonicContact NH2-OE1 2.79Å; R699-E991 PolarHBondContact NH2-OE1 2.84Å; G774-E991 WeakPolarHBondContact CA-OE2 3.12Å; E775-E991 HydrophobicContact CG-CG 3.94Å; E775-E991 PolarHBondContact N-OE2 2.83Å; Y957-E991 HydrophobicContact CE2-CB 4.21Å; N989-E991 PolarHBondContact O-N 3.43Å; N989-E991 WeakPolarHBondContact OD1-CB 3.41Å; N989-E991 PolarHBondContact OD1-N 3.38Å
992T91.8Very high92.8Very high0 Ų012.2 Ų12.20%06%0.063CC..  trans-92155.5-170.958.30000114.2Y957 D966 N987 N989 P990 T995Y957-T992 HydrophobicContact CE1-CG2 3.82Å; Y957-T992 WeakPolarHBondContact OH-CG2 3.03Å; D966-T992 HydrophobicContact CB-CG2 4.33Å; D966-T992 WeakPolarHBondContact OD1-CB 3.01Å; N987-T992 PolarHBondContact ND2-OG1 2.9Å; N989-T992 HydrophobicContact CB-CG2 3.75Å; N989-T992 PolarHBondContact O-N 2.95Å; N989-T992 PolarHBondContact O-OG1 2.81Å; P990-T992 VanDerWaalsContact C-N 3.26Å; P990-T992 PolarHBondContact O-N 3Å; T992-T995 PolarHBondContact O-OG1 3.49Å; T992-T995 VanDerWaalsContact OG1-CG2 3.23Å; T992-T995 WeakPolarHBondContact OG1-CG2 3.37Å; T992-T995 PolarHBondContact OG1-OG1 3.07Å
993V91.8Very high92.9Very high6 Ų69.6 Ų9.64%0.0365%0.046CC..SBendtrans-78.3-31.6171.9177.70000111.1V450 D966 V970 T995 D996 M999V450-V993 HydrophobicContact CB-CB 4.27Å; V450-V993 HydrophobicContact CB-CG1 4.3Å; V450-V993 HydrophobicContact CB-CG2 4.14Å; V450-V993 HydrophobicContact CG1-CG1 4.01Å; V450-V993 HydrophobicContact CG2-CB 4.18Å; V450-V993 HydrophobicContact CG2-CG1 4.41Å; V450-V993 HydrophobicContact CG2-CG2 4.46Å; D966-V993 PolarHBondContact OD2-N 3.23Å; V970-V993 HydrophobicContact CG2-CB 4.3Å; V970-V993 HydrophobicContact CG2-CG1 4.23Å; V993-T995 PolarHBondContact O-N 3.08Å; V993-T995 VanDerWaalsContact O-N 3.1Å; V993-D996 VanDerWaalsContact O-CB 3.24Å; V993-D996 WeakPolarHBondContact O-CB 3.4Å; V993-D996 PolarHBondContact O-N 3.46Å; V993-M999 HydrophobicContact CG1-CG 4.1Å; V993-M999 HydrophobicContact CG1-SD 4.21Å; V993-M999 VanDerWaalsContact O-CG 3.28Å; V993-M999 WeakPolarHBondContact O-CG 3.34Å
994S92.9Very high93Very high0 Ų09.6 Ų9.60%05%0.046CC..THydrogen-bonded Turntrans-60.7-21.1177.3600000114.2D966 N987 D996D966-S994 WeakPolarHBondContact OD1-CB 3.16Å; D966-S994 PolarHBondContact OD1-N 2.99Å; D966-S994 PolarHBondContact OD1-OG 3.14Å; D966-S994 PolarHBondContact OD2-N 3.39Å; N987-S994 PolarHBondContact ND2-OG 2.92Å; S994-D996 VanDerWaalsContact C-N 3.29Å
995T92.7Very high92.9Very high0 Ų09.7 Ų9.70%05%0.047CC..THydrogen-bonded Turntrans-91.718.6176.259.50000113.6K706 Y930 N987 N989 T992 V993 L1003 F1005K706-T995 WeakPolarHBondContact CD-O 3.39Å; K706-T995 PolarHBondContact NZ-O 3.32Å; Y930-T995 PolarHBondContact OH-O 2.99Å; N987-T995 HydrophobicContact CB-CG2 3.86Å; N989-T995 WeakPolarHBondContact O-CG2 3.35Å; N989-T995 PolarHBondContact O-OG1 3.14Å; T992-T995 PolarHBondContact O-OG1 3.49Å; T992-T995 VanDerWaalsContact OG1-CG2 3.23Å; T992-T995 WeakPolarHBondContact OG1-CG2 3.37Å; T992-T995 PolarHBondContact OG1-OG1 3.07Å; V993-T995 PolarHBondContact O-N 3.08Å; V993-T995 VanDerWaalsContact O-N 3.1Å; T995-L1003 VanDerWaalsContact C-CD2 3.48Å; T995-L1003 VanDerWaalsContact CA-CD2 3.44Å; T995-L1003 HydrophobicContact CG2-CD1 4.3Å; T995-L1003 HydrophobicContact CG2-CD2 4.4Å; T995-L1003 WeakPolarHBondContact O-CD2 3.36Å; T995-F1005 HydrophobicContact CG2-CD1 4.48Å; T995-F1005 HydrophobicContact CG2-CE1 3.74Å; T995-F1005 HydrophobicContact CG2-CE2 4.4Å; T995-F1005 HydrophobicContact CG2-CZ 3.73Å
996D88.5Confident92.8Very high0 Ų09.8 Ų9.80%05%0.047CC..SBendtrans-87.7150.9177.9-157.839.7000114.5Y424 Q428 K706 V993 S994 D998 M999Y424-D996 HydrophobicContact CE2-CB 4.42Å; Q428-D996 VanDerWaalsContact CD-OD2 3.26Å; Q428-D996 PolarHBondContact NE2-OD2 2.9Å; K706-D996 VanDerWaalsContact NZ-CA 3.29Å; K706-D996 IonicContact NZ-OD1 2.97Å; K706-D996 PolarHBondContact NZ-OD1 2.93Å; V993-D996 VanDerWaalsContact O-CB 3.24Å; V993-D996 WeakPolarHBondContact O-CB 3.4Å; V993-D996 PolarHBondContact O-N 3.46Å; S994-D996 VanDerWaalsContact C-N 3.29Å; D996-D998 PolarHBondContact O-N 2.93Å; D996-D998 VanDerWaalsContact O-N 3.09Å; D996-D998 VanDerWaalsContact OD2-OD1 3.1Å; D996-M999 HydrophobicContact CB-CG 3.98Å; D996-M999 PolarHBondContact O-N 2.87Å
997Y80Confident92.7Very high30 Ų3010.8 Ų10.812%0.1185%0.052CC..THydrogen-bonded Turntrans-66.5-16.2-165.674-84.4000114.1K431 P711 S731 V732 N929 Y930K431-Y997 PolarHBondContact NZ-OH 2.68Å; P711-Y997 HydrophobicContact CB-CD1 4.3Å; P711-Y997 HydrophobicContact CB-CE1 3.93Å; S731-Y997 PolarHBondContact OG-OH 3.16Å; V732-Y997 HydrophobicContact CG2-CD1 4.26Å; V732-Y997 HydrophobicContact CG2-CD2 3.79Å; V732-Y997 HydrophobicContact CG2-CE2 4.19Å; V732-Y997 HydrophobicContact CG2-CG 3.82Å; N929-Y997 PolarHBondContact ND2-O 3.23Å; N929-Y997 VanDerWaalsContact OD1-CA 3.27Å; N929-Y997 WeakPolarHBondContact OD1-CA 3.42Å; N929-Y997 PolarHBondContact OD1-O 3.3Å; Y930-Y997 PolarHBondContact OH-N 2.92Å
998D83.9Confident92.6Very high38 Ų3811.1 Ų11.120%0.2035%0.053CC..THydrogen-bonded Turntrans-116.14.4-17873.7-34.6000112.8K431 R977 D996K431-D998 WeakPolarHBondContact CE-OD2 3.46Å; K431-D998 IonicContact NZ-OD1 3.76Å; K431-D998 IonicContact NZ-OD2 2.77Å; K431-D998 PolarHBondContact NZ-OD2 3.3Å; R977-D998 PolarHBondContact NH1-O 3.24Å; D996-D998 PolarHBondContact O-N 2.93Å; D996-D998 VanDerWaalsContact O-N 3.09Å; D996-D998 VanDerWaalsContact OD2-OD1 3.1Å
999M88.9Confident92.5Very high19 Ų1911.3 Ų11.39%0.0946%0.056CC..THydrogen-bonded Turntrans-83.6-30.9-174.6-77.3-56.5104.300114.5V970 R977 V993 D996V970-M999 HydrophobicContact CG1-SD 4.09Å; R977-M999 VanDerWaalsContact CZ-O 3.27Å; R977-M999 PolarHBondContact NH1-O 3.29Å; V993-M999 HydrophobicContact CG1-CG 4.1Å; V993-M999 HydrophobicContact CG1-SD 4.21Å; V993-M999 VanDerWaalsContact O-CG 3.28Å; V993-M999 WeakPolarHBondContact O-CG 3.34Å; D996-M999 HydrophobicContact CB-CG 3.98Å; D996-M999 PolarHBondContact O-N 2.87Å
1000C91.5Very high92.5Very high2 Ų211.6 Ų11.61%0.0146%0.057CC..SBendtrans-136.8163.917855.60000110.8N929 L973 R977 M985 R1002N929-C1000 PolarHBondContact ND2-O 2.88Å; L973-C1000 HydrophobicContact CD1-CB 4.13Å; L973-C1000 HydrophobicContact CD2-CB 4.09Å; R977-C1000 VanDerWaalsContact NH2-CA 3.32Å; R977-C1000 PolarHBondContact NH2-O 2.96Å; M985-C1000 HydrophobicContact CB-CB 3.85Å; M985-C1000 WeakPolarHBondContact CB-SG 3.37Å; C1000-R1002 VanDerWaalsContact SG-C 3.59Å; C1000-R1002 PolarHBondContact SG-O 2.91Å
1001D93.3Very high92.6Very high66 Ų6612.1 Ų12.135%0.3536%0.059SC..SBendtrans-77.6-29.8-177-50.3-53.8000111.1N929 R977 P982 T983N929-D1001 WeakPolarHBondContact CB-O 3.29Å; R977-D1001 IonicContact CZ-OD1 3.83Å; R977-D1001 IonicContact NE-OD1 2.77Å; R977-D1001 PolarHBondContact NE-OD1 2.91Å; R977-D1001 IonicContact NE-OD2 3.7Å; R977-D1001 IonicContact NH2-OD1 2.87Å; R977-D1001 PolarHBondContact NH2-OD1 2.8Å; P982-D1001 WeakPolarHBondContact CA-OD2 3.45Å; T983-D1001 PolarHBondContact N-OD2 3.08Å; T983-D1001 WeakPolarHBondContact O-CB 3.41Å; T983-D1001 PolarHBondContact O-N 3.28Å; T983-D1001 VanDerWaalsContact O-N 3.16Å; T983-D1001 PolarHBondContact OG1-N 3.38Å; T983-D1001 PolarHBondContact OG1-OD2 2.74Å
1002R94.7Very high92.8Very high34 Ų3412.6 Ų12.613%0.1286%0.062CC..EExtended strand (participates in β ladder)trans-137.9128169.3-66.5-175177.1-157.3-8.8110.3L931 D943 T983 I984 M985 C1000 Y1004 E1020L931-R1002 HydrophobicContact CD1-CB 3.95Å; L931-R1002 HydrophobicContact CD1-CG 4.05Å; D943-R1002 PolarHBondContact O-NH1 3.38Å; D943-R1002 PolarHBondContact O-NH2 3.18Å; T983-R1002 PolarHBondContact O-N 2.73Å; T983-R1002 VanDerWaalsContact O-N 3.16Å; I984-R1002 CarbonylContact C-O 3.45Å; I984-R1002 WeakPolarHBondContact CA-O 3.13Å; I984-R1002 HydrophobicContact CG1-CB 4Å; M985-R1002 PolarHBondContact N-O 2.98Å; C1000-R1002 VanDerWaalsContact SG-C 3.59Å; C1000-R1002 PolarHBondContact SG-O 2.91Å; R1002-Y1004 HydrophobicContact CB-CE2 4.31Å; R1002-E1020 WeakPolarHBondContact CD-OE1 3.41Å; R1002-E1020 IonicContact CZ-OE1 2.81Å; R1002-E1020 IonicContact CZ-OE2 3.21Å; R1002-E1020 IonicContact NE-OE1 3.07Å; R1002-E1020 IonicContact NH1-OE1 3.95Å; R1002-E1020 PolarHBondContact NH1-OE1 3.3Å; R1002-E1020 IonicContact NH1-OE2 3.7Å; R1002-E1020 PolarHBondContact NH1-OE2 2.84Å
1003L96.1Very high93.1Very high0 Ų012.6 Ų12.60%06%0.062CC..EExtended strand (participates in β ladder)trans-110.5115.1173.4176.562.5000109.1N929 Y930 L931 M985 T995 F1005N929-L1003 PolarHBondContact O-N 3.02Å; Y930-L1003 HydrophobicContact CD1-CB 4.14Å; Y930-L1003 HydrophobicContact CD1-CD2 3.57Å; Y930-L1003 HydrophobicContact CD1-CG 4.38Å; Y930-L1003 HydrophobicContact CE1-CD2 3.52Å; L931-L1003 WeakPolarHBondContact CB-O 3.37Å; L931-L1003 PolarHBondContact N-O 3.02Å; M985-L1003 HydrophobicContact CB-CD1 3.82Å; M985-L1003 HydrophobicContact CG-CD1 3.79Å; T995-L1003 VanDerWaalsContact C-CD2 3.48Å; T995-L1003 VanDerWaalsContact CA-CD2 3.44Å; T995-L1003 HydrophobicContact CG2-CD1 4.3Å; T995-L1003 HydrophobicContact CG2-CD2 4.4Å; T995-L1003 WeakPolarHBondContact O-CD2 3.36Å; L1003-F1005 HydrophobicContact CD2-CD2 3.48Å; L1003-F1005 VanDerWaalsContact CD2-CD2 3.48Å; L1003-F1005 HydrophobicContact CD2-CE2 3.27Å; L1003-F1005 HydrophobicContact CD2-CZ 4.15Å; L1003-F1005 HydrophobicContact CG-CD2 3.9Å; L1003-F1005 HydrophobicContact CG-CE2 4.17Å
1004Y97.6Very high93.3Very high0 Ų012.7 Ų12.70%06%0.063CC..EExtended strand (participates in β ladder)trans-90.7107.3168.3-75.3-96.7000109.4V914 L931 H933 I984 M985 N987 R1002 E1006 I1016 E1020V914-Y1004 HydrophobicContact CG1-CE1 4Å; V914-Y1004 HydrophobicContact CG2-CE1 3.98Å; L931-Y1004 HydrophobicContact CB-CD1 4.12Å; L931-Y1004 HydrophobicContact CB-CE1 4.17Å; L931-Y1004 HydrophobicContact CB-CG 4.37Å; L931-Y1004 HydrophobicContact CD1-CD2 4.34Å; L931-Y1004 HydrophobicContact CD1-CE1 4.26Å; L931-Y1004 HydrophobicContact CD1-CE2 3.78Å; L931-Y1004 WeakPolarHBondContact O-CA 3.43Å; H933-Y1004 AromaticContact CD2-CE1 3.9Å; H933-Y1004 AromaticContact NE2-CD1 3.95Å; H933-Y1004 AromaticContact NE2-CE1 3.56Å; I984-Y1004 HydrophobicContact CG2-CD2 3.68Å; I984-Y1004 HydrophobicContact CG2-CE2 3.99Å; M985-Y1004 PolarHBondContact O-N 2.98Å; N987-Y1004 PolarHBondContact N-O 3.24Å; N987-Y1004 VanDerWaalsContact O-O 3.06Å; R1002-Y1004 HydrophobicContact CB-CE2 4.31Å; Y1004-E1006 PolarHBondContact O-N 2.82Å; Y1004-I1016 HydrophobicContact CD1-CD1 3.6Å; Y1004-I1016 HydrophobicContact CD1-CG1 3.79Å; Y1004-I1016 HydrophobicContact CD1-CG2 4.45Å; Y1004-I1016 HydrophobicContact CD2-CD1 4.41Å; Y1004-I1016 HydrophobicContact CD2-CG2 4.03Å; Y1004-I1016 HydrophobicContact CE1-CD1 4.28Å; Y1004-I1016 HydrophobicContact CE1-CG1 3.96Å; Y1004-I1016 HydrophobicContact CE1-CG2 4.3Å; Y1004-I1016 HydrophobicContact CE2-CG2 3.87Å; Y1004-I1016 HydrophobicContact CG-CD1 3.67Å; Y1004-I1016 HydrophobicContact CG-CG1 4.2Å; Y1004-I1016 HydrophobicContact CG-CG2 4.32Å; Y1004-E1020 HydrophobicContact CE2-CG 4.28Å; Y1004-E1020 WeakPolarHBondContact CE2-OE1 3.5Å; Y1004-E1020 PolarHBondContact OH-OE1 3.25Å
1005F96.3Very high93.4Very high1 Ų112.9 Ų12.90%0.0046%0.064CC..EExtended strand (participates in β ladder)trans-76.769.1171.4-101.9-75.3000110.3K706 I779 Y930 L931 N987 T995 L1003K706-F1005 HydrophobicContact CB-CE1 4.48Å; K706-F1005 HydrophobicContact CB-CE2 4.31Å; K706-F1005 HydrophobicContact CB-CZ 3.76Å; K706-F1005 HydrophobicContact CD-CE2 4.49Å; K706-F1005 HydrophobicContact CD-CZ 4.06Å; K706-F1005 HydrophobicContact CG-CZ 3.84Å; I779-F1005 HydrophobicContact CD1-CB 4.09Å; Y930-F1005 HydrophobicContact CD1-CE2 4.4Å; Y930-F1005 HydrophobicContact CD2-CE2 4.47Å; Y930-F1005 HydrophobicContact CE1-CE2 4.38Å; Y930-F1005 HydrophobicContact CG-CD2 4.48Å; Y930-F1005 HydrophobicContact CG-CE2 4.43Å; L931-F1005 PolarHBondContact O-N 2.77Å; N987-F1005 VanDerWaalsContact O-CA 3.3Å; N987-F1005 WeakPolarHBondContact O-CA 3.37Å; T995-F1005 HydrophobicContact CG2-CD1 4.48Å; T995-F1005 HydrophobicContact CG2-CE1 3.74Å; T995-F1005 HydrophobicContact CG2-CE2 4.4Å; T995-F1005 HydrophobicContact CG2-CZ 3.73Å; L1003-F1005 HydrophobicContact CD2-CD2 3.48Å; L1003-F1005 VanDerWaalsContact CD2-CD2 3.48Å; L1003-F1005 HydrophobicContact CD2-CE2 3.27Å; L1003-F1005 HydrophobicContact CD2-CZ 4.15Å; L1003-F1005 HydrophobicContact CG-CD2 3.9Å; L1003-F1005 HydrophobicContact CG-CE2 4.17Å
1006E97Very high93.6Very high3 Ų312.9 Ų12.91%0.0146%0.064CC..  trans-143.5158.9-165.4-90.1-58.1162.900113.5K789 H933 Y988 Y1004 V1012 I1016K789-E1006 IonicContact NZ-OE1 3.18Å; K789-E1006 PolarHBondContact NZ-OE1 3.49Å; K789-E1006 IonicContact NZ-OE2 3.47Å; H933-E1006 WeakPolarHBondContact CA-OE1 3.39Å; H933-E1006 HydrophobicContact CB-CG 4.18Å; H933-E1006 WeakPolarHBondContact CB-OE1 3.43Å; H933-E1006 PolarHBondContact N-OE1 3.28Å; Y988-E1006 VanDerWaalsContact CD1-O 3.27Å; Y988-E1006 WeakPolarHBondContact CD1-O 3.31Å; Y1004-E1006 PolarHBondContact O-N 2.82Å; E1006-V1012 HydrophobicContact CB-CG1 3.78Å; E1006-V1012 HydrophobicContact CG-CG1 4.31Å; E1006-I1016 HydrophobicContact CB-CD1 4.47Å
1007E95.6Very high94Very high20 Ų2014.8 Ų14.89%0.0937%0.071CC..  trans-61.3136-175-177.1-168.1141.500112R792 M793 S1009 V1012R792-E1007 HydrophobicContact CB-CG 4.47Å; R792-E1007 WeakPolarHBondContact CD-OE2 3.34Å; R792-E1007 IonicContact CZ-OE2 3.21Å; R792-E1007 IonicContact NE-OE1 2.83Å; R792-E1007 IonicContact NE-OE2 2.66Å; R792-E1007 PolarHBondContact NE-OE2 2.76Å; R792-E1007 IonicContact NH2-OE2 3.68Å; M793-E1007 HydrophobicContact CE-CB 4.07Å; M793-E1007 VanDerWaalsContact CE-N 3.25Å; M793-E1007 HydrophobicContact CG-CB 4.1Å; M793-E1007 HydrophobicContact CG-CG 4.32Å; E1007-S1009 VanDerWaalsContact C-N 3.35Å; E1007-S1009 PolarHBondContact O-N 2.66Å; E1007-S1009 VanDerWaalsContact O-N 3.1Å; E1007-S1009 WeakPolarHBondContact OE1-CB 3.45Å; E1007-S1009 PolarHBondContact OE1-OG 3.49Å; E1007-V1012 HydrophobicContact CB-CG2 4.21Å; E1007-V1012 WeakPolarHBondContact O-CB 3.36Å; E1007-V1012 VanDerWaalsContact O-CG1 3.26Å; E1007-V1012 WeakPolarHBondContact O-CG1 3.26Å
1008I95.5Very high94.7Very high7 Ų716.3 Ų16.34%0.0368%0.079CC..  trans-85.982.4172.1-60.1165.7000108.5V952 G953 I986 Y988 L1033 I1037V952-I1008 HydrophobicContact CG1-CB 4.38Å; V952-I1008 HydrophobicContact CG1-CD1 3.97Å; V952-I1008 HydrophobicContact CG1-CG1 3.92Å; V952-I1008 HydrophobicContact CG1-CG2 3.53Å; G953-I1008 VanDerWaalsContact O-CD1 3.31Å; G953-I1008 WeakPolarHBondContact O-CD1 3.23Å; I986-I1008 HydrophobicContact CG2-CG1 4.32Å; Y988-I1008 HydrophobicContact CD1-CD1 4.33Å; Y988-I1008 HydrophobicContact CD1-CG1 4.13Å; Y988-I1008 HydrophobicContact CE1-CB 4.03Å; Y988-I1008 HydrophobicContact CE1-CD1 3.81Å; Y988-I1008 HydrophobicContact CE1-CG1 3.73Å; I1008-L1033 HydrophobicContact CB-CD2 3.92Å; I1008-L1033 HydrophobicContact CB-CG 4.26Å; I1008-L1033 HydrophobicContact CD1-CD2 4.03Å; I1008-L1033 HydrophobicContact CG2-CD2 4.17Å; I1008-L1033 HydrophobicContact CG2-CG 3.98Å; I1008-I1037 HydrophobicContact CG2-CD1 4.26Å
1009S94.5Very high95.2Very high11 Ų1116.3 Ų16.38%0.0778%0.078CC..SBendtrans-134.8164171.665.50000111.2E1007 E1011 V1012 V1013E1007-S1009 VanDerWaalsContact C-N 3.35Å; E1007-S1009 PolarHBondContact O-N 2.66Å; E1007-S1009 VanDerWaalsContact O-N 3.1Å; E1007-S1009 WeakPolarHBondContact OE1-CB 3.45Å; E1007-S1009 PolarHBondContact OE1-OG 3.49Å; S1009-E1011 VanDerWaalsContact C-N 3.31Å; S1009-E1011 PolarHBondContact O-N 2.94Å; S1009-V1012 PolarHBondContact O-N 3.1Å; S1009-V1013 WeakPolarHBondContact O-CB 3.49Å; S1009-V1013 VanDerWaalsContact O-CG2 3.29Å; S1009-V1013 WeakPolarHBondContact O-CG2 3.4Å; S1009-V1013 PolarHBondContact O-N 3.27Å
1010F94.1Very high95.6Very high5 Ų515.4 Ų15.42%0.0227%0.074CC..Hα-helixtrans-54.2-47.9177.7162.5-99000111.5L899 V1012 M1014 D1040 L1041 Q1044L899-F1010 HydrophobicContact CD2-CE1 3.47Å; L899-F1010 VanDerWaalsContact CD2-CE1 3.47Å; L899-F1010 HydrophobicContact CD2-CZ 3.61Å; L899-F1010 HydrophobicContact CG-CE1 4.38Å; F1010-V1012 PolarHBondContact O-N 2.93Å; F1010-M1014 HydrophobicContact CD2-CB 4.41Å; F1010-M1014 HydrophobicContact CE2-CB 3.95Å; F1010-M1014 HydrophobicContact CE2-CG 4.05Å; F1010-M1014 HydrophobicContact CE2-SD 4.38Å; F1010-M1014 HydrophobicContact CZ-CB 4.17Å; F1010-M1014 HydrophobicContact CZ-CG 4.15Å; F1010-M1014 WeakPolarHBondContact O-CB 3.43Å; F1010-M1014 PolarHBondContact O-N 3.1Å; F1010-D1040 HydrophobicContact CB-CB 4.36Å; F1010-D1040 HydrophobicContact CD2-CB 3.93Å; F1010-D1040 HydrophobicContact CG-CB 4.22Å; F1010-L1041 HydrophobicContact CD2-CD2 4.25Å; F1010-Q1044 HydrophobicContact CE2-CB 4.12Å; F1010-Q1044 HydrophobicContact CE2-CG 3.57Å; F1010-Q1044 HydrophobicContact CZ-CB 4.48Å; F1010-Q1044 HydrophobicContact CZ-CG 3.63Å
1011E95.4Very high95.7Very high11 Ų1121.2 Ų21.25%0.05111%0.105CC..Hα-helixtrans-52.5-53.8180179.4-173.6158.200112K881 S886 D887 S1009 D1015K881-E1011 IonicContact NZ-OE1 3.62Å; K881-E1011 PolarHBondContact NZ-OE1 3.13Å; K881-E1011 IonicContact NZ-OE2 3.63Å; S886-E1011 WeakPolarHBondContact CA-OE2 3.18Å; S886-E1011 WeakPolarHBondContact CB-OE2 3.36Å; D887-E1011 HydrophobicContact CB-CG 4.43Å; D887-E1011 WeakPolarHBondContact CB-OE2 3.5Å; D887-E1011 PolarHBondContact N-OE2 2.84Å; S1009-E1011 VanDerWaalsContact C-N 3.31Å; S1009-E1011 PolarHBondContact O-N 2.94Å; E1011-D1015 WeakPolarHBondContact O-CB 3.48Å; E1011-D1015 PolarHBondContact O-N 3.33Å
1012V96.8Very high95.7Very high11 Ų1118.4 Ų18.47%0.0679%0.091CC..Hα-helixtrans-76-44.4-171.4174.50000111.6E1006 E1007 S1009 F1010 M1014 D1015 I1016E1006-V1012 HydrophobicContact CB-CG1 3.78Å; E1006-V1012 HydrophobicContact CG-CG1 4.31Å; E1007-V1012 HydrophobicContact CB-CG2 4.21Å; E1007-V1012 WeakPolarHBondContact O-CB 3.36Å; E1007-V1012 VanDerWaalsContact O-CG1 3.26Å; E1007-V1012 WeakPolarHBondContact O-CG1 3.26Å; S1009-V1012 PolarHBondContact O-N 3.1Å; F1010-V1012 PolarHBondContact O-N 2.93Å; V1012-M1014 VanDerWaalsContact C-N 3.29Å; V1012-M1014 PolarHBondContact O-N 3.14Å; V1012-D1015 PolarHBondContact O-N 3.18Å; V1012-I1016 HydrophobicContact CG1-CD1 3.95Å; V1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; V1012-I1016 PolarHBondContact O-N 3.48Å
1013V97.1Very high95.6Very high0 Ų020.8 Ų20.80%010%0.103CC..Hα-helixtrans-63.5-38.1177.9175.50000110.8I986 S1009 Y1017 I1025 I1037 L1041I986-V1013 HydrophobicContact CD1-CG1 4.36Å; I986-V1013 HydrophobicContact CD1-CG2 4.16Å; S1009-V1013 WeakPolarHBondContact O-CB 3.49Å; S1009-V1013 VanDerWaalsContact O-CG2 3.29Å; S1009-V1013 WeakPolarHBondContact O-CG2 3.4Å; S1009-V1013 PolarHBondContact O-N 3.27Å; V1013-Y1017 VanDerWaalsContact O-CB 3.27Å; V1013-Y1017 WeakPolarHBondContact O-CB 3.31Å; V1013-Y1017 PolarHBondContact O-N 3.03Å; V1013-I1025 HydrophobicContact CG1-CD1 4.19Å; V1013-I1037 HydrophobicContact CB-CD1 4.23Å; V1013-I1037 HydrophobicContact CG1-CD1 4.46Å; V1013-I1037 HydrophobicContact CG2-CD1 3.92Å; V1013-L1041 HydrophobicContact CB-CD2 4.47Å; V1013-L1041 HydrophobicContact CG1-CD1 4.14Å; V1013-L1041 HydrophobicContact CG1-CD2 3.98Å
1014M96.4Very high95.5Very high9 Ų920.8 Ų20.84%0.04410%0.103CC..Hα-helixtrans-69.5-40.8176.2-167.468.3-173.700112F1010 V1012 I1016 Y1017 E1018 L1041 Q1044 A1046F1010-M1014 HydrophobicContact CD2-CB 4.41Å; F1010-M1014 HydrophobicContact CE2-CB 3.95Å; F1010-M1014 HydrophobicContact CE2-CG 4.05Å; F1010-M1014 HydrophobicContact CE2-SD 4.38Å; F1010-M1014 HydrophobicContact CZ-CB 4.17Å; F1010-M1014 HydrophobicContact CZ-CG 4.15Å; F1010-M1014 WeakPolarHBondContact O-CB 3.43Å; F1010-M1014 PolarHBondContact O-N 3.1Å; V1012-M1014 VanDerWaalsContact C-N 3.29Å; V1012-M1014 PolarHBondContact O-N 3.14Å; M1014-I1016 VanDerWaalsContact C-N 3.35Å; M1014-I1016 PolarHBondContact O-N 3.16Å; M1014-Y1017 HydrophobicContact CE-CD1 4.43Å; M1014-Y1017 PolarHBondContact O-N 3.37Å; M1014-Y1017 HydrophobicContact SD-CD1 4.24Å; M1014-E1018 HydrophobicContact CE-CG 4.01Å; M1014-E1018 WeakPolarHBondContact CE-OE1 3.46Å; M1014-E1018 WeakPolarHBondContact O-CB 3.41Å; M1014-E1018 WeakPolarHBondContact O-CG 3.36Å; M1014-E1018 PolarHBondContact O-N 3.12Å; M1014-L1041 HydrophobicContact SD-CD2 4.38Å; M1014-Q1044 HydrophobicContact CE-CB 3.81Å; M1014-Q1044 HydrophobicContact SD-CB 4.11Å; M1014-A1046 HydrophobicContact SD-CB 4.19Å
1015D96.4Very high95.5Very high4 Ų420.8 Ų20.82%0.02110%0.103CC..Hα-helixtrans-60.5-42.8174.9-83.9-13.5000111.9R902 R905 P912 E1011 V1012 M1019R902-D1015 IonicContact CZ-OD1 3.38Å; R902-D1015 IonicContact NH1-OD1 2.85Å; R902-D1015 PolarHBondContact NH1-OD1 3.34Å; R902-D1015 IonicContact NH1-OD2 3.28Å; R902-D1015 IonicContact NH2-OD1 3.82Å; R902-D1015 PolarHBondContact NH2-OD1 2.93Å; R905-D1015 IonicContact NH1-OD2 3.48Å; R905-D1015 IonicContact NH2-OD2 2.73Å; R905-D1015 PolarHBondContact NH2-OD2 3.16Å; P912-D1015 HydrophobicContact CG-CB 4.25Å; E1011-D1015 WeakPolarHBondContact O-CB 3.48Å; E1011-D1015 PolarHBondContact O-N 3.33Å; V1012-D1015 PolarHBondContact O-N 3.18Å; D1015-M1019 WeakPolarHBondContact O-CB 3.09Å; D1015-M1019 PolarHBondContact O-N 3.22Å; D1015-M1019 VanDerWaalsContact O-N 3.1Å
1016I97.2Very high95.6Very high0 Ų020.8 Ų20.80%010%0.103CC..Hα-helixtrans-66.7-46.8176.3-65165.8000110.7H933 I950 I984 I986 Y1004 E1006 V1012 M1014 E1018 M1019 E1020H933-I1016 WeakPolarHBondContact CE1-CG1 3.48Å; I950-I1016 HydrophobicContact CD1-CG2 4.2Å; I984-I1016 HydrophobicContact CG2-CG2 4.49Å; I986-I1016 HydrophobicContact CD1-CB 4.28Å; I986-I1016 HydrophobicContact CD1-CD1 3.74Å; I986-I1016 HydrophobicContact CD1-CG2 4.13Å; I986-I1016 HydrophobicContact CG1-CD1 4.06Å; I986-I1016 HydrophobicContact CG2-CD1 4.34Å; Y1004-I1016 HydrophobicContact CD1-CD1 3.6Å; Y1004-I1016 HydrophobicContact CD1-CG1 3.79Å; Y1004-I1016 HydrophobicContact CD1-CG2 4.45Å; Y1004-I1016 HydrophobicContact CD2-CD1 4.41Å; Y1004-I1016 HydrophobicContact CD2-CG2 4.03Å; Y1004-I1016 HydrophobicContact CE1-CD1 4.28Å; Y1004-I1016 HydrophobicContact CE1-CG1 3.96Å; Y1004-I1016 HydrophobicContact CE1-CG2 4.3Å; Y1004-I1016 HydrophobicContact CE2-CG2 3.87Å; Y1004-I1016 HydrophobicContact CG-CD1 3.67Å; Y1004-I1016 HydrophobicContact CG-CG1 4.2Å; Y1004-I1016 HydrophobicContact CG-CG2 4.32Å; E1006-I1016 HydrophobicContact CB-CD1 4.47Å; V1012-I1016 HydrophobicContact CG1-CD1 3.95Å; V1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; V1012-I1016 PolarHBondContact O-N 3.48Å; M1014-I1016 VanDerWaalsContact C-N 3.35Å; M1014-I1016 PolarHBondContact O-N 3.16Å; I1016-E1018 PolarHBondContact O-N 3.14Å; I1016-M1019 PolarHBondContact O-N 3.2Å; I1016-E1020 HydrophobicContact CG2-CG 4.11Å; I1016-E1020 VanDerWaalsContact O-CB 3.29Å; I1016-E1020 WeakPolarHBondContact O-CB 3.49Å; I1016-E1020 WeakPolarHBondContact O-CG 3.36Å; I1016-E1020 PolarHBondContact O-N 3.1Å
1017Y97Very high95.5Very high40 Ų4020.7 Ų20.716%0.15710%0.103CC..Hα-helixtrans-58.6-46.4-179.4172.5-100.5000112.8I950 V1013 M1014 N1021 S1022 I1025 A1046 K1047I950-Y1017 HydrophobicContact CD1-CD2 4.27Å; V1013-Y1017 VanDerWaalsContact O-CB 3.27Å; V1013-Y1017 WeakPolarHBondContact O-CB 3.31Å; V1013-Y1017 PolarHBondContact O-N 3.03Å; M1014-Y1017 HydrophobicContact CE-CD1 4.43Å; M1014-Y1017 PolarHBondContact O-N 3.37Å; M1014-Y1017 HydrophobicContact SD-CD1 4.24Å; Y1017-N1021 PolarHBondContact O-N 3.48Å; Y1017-S1022 PolarHBondContact O-N 2.99Å; Y1017-I1025 HydrophobicContact CD2-CD1 3.7Å; Y1017-I1025 HydrophobicContact CD2-CG1 3.68Å; Y1017-I1025 HydrophobicContact CE2-CD1 4.31Å; Y1017-I1025 HydrophobicContact CE2-CG1 4.14Å; Y1017-I1025 HydrophobicContact CG-CD1 3.97Å; Y1017-I1025 HydrophobicContact CG-CG1 4.43Å; Y1017-A1046 HydrophobicContact CD1-CB 4.07Å; Y1017-A1046 HydrophobicContact CE1-CB 3.86Å; Y1017-K1047 PolarHBondContact OH-N 2.92Å
1018E94.7Very high95.5Very high62 Ų6220.1 Ų20.129%0.2910%0.101SC..Hα-helixtrans-64.5-44.4177-74.7177.1-160.100111.7R902 Q906 R911 M1014 I1016 N1021R902-E1018 IonicContact CZ-OE1 3.46Å; R902-E1018 IonicContact NE-OE1 3.67Å; R902-E1018 IonicContact NH2-OE1 2.87Å; R902-E1018 PolarHBondContact NH2-OE1 2.99Å; R902-E1018 IonicContact NH2-OE2 3.84Å; R902-E1018 PolarHBondContact NH2-OE2 2.82Å; Q906-E1018 PolarHBondContact NE2-OE2 3.01Å; R911-E1018 IonicContact NH1-OE2 3.25Å; R911-E1018 PolarHBondContact NH1-OE2 3.06Å; R911-E1018 VanDerWaalsContact NH1-OE2 3.07Å; M1014-E1018 HydrophobicContact CE-CG 4.01Å; M1014-E1018 WeakPolarHBondContact CE-OE1 3.46Å; M1014-E1018 WeakPolarHBondContact O-CB 3.41Å; M1014-E1018 WeakPolarHBondContact O-CG 3.36Å; M1014-E1018 PolarHBondContact O-N 3.12Å; I1016-E1018 PolarHBondContact O-N 3.14Å; E1018-N1021 PolarHBondContact O-N 3.49Å
1019M94.3Very high95.6Very high37 Ų3719.8 Ų19.818%0.18210%0.099CC..Hα-helixtrans-70.3-43.3-174.9-166.4-176.5-48.600112.2P912 V914 H940 F944 D1015 I1016 N1021P912-M1019 HydrophobicContact CG-CE 4.2Å; P912-M1019 WeakPolarHBondContact O-CE 3.23Å; V914-M1019 HydrophobicContact CG2-CE 4.14Å; V914-M1019 HydrophobicContact CG2-SD 3.34Å; V914-M1019 WeakPolarHBondContact CG2-SD 3.21Å; H940-M1019 PolarHBondContact CE1-SD 3.25Å; F944-M1019 WeakPolarHBondContact CB-O 3.31Å; F944-M1019 HydrophobicContact CD1-CG 3.93Å; F944-M1019 HydrophobicContact CD1-SD 4.48Å; F944-M1019 HydrophobicContact CD2-CG 4.24Å; F944-M1019 HydrophobicContact CE1-CG 3.66Å; F944-M1019 HydrophobicContact CE1-SD 3.62Å; F944-M1019 HydrophobicContact CE2-CG 3.99Å; F944-M1019 HydrophobicContact CE2-SD 3.98Å; F944-M1019 HydrophobicContact CG-CG 4.22Å; F944-M1019 WeakPolarHBondContact CG-O 3.46Å; F944-M1019 HydrophobicContact CZ-CG 3.7Å; F944-M1019 HydrophobicContact CZ-SD 3.33Å; F944-M1019 WeakPolarHBondContact CZ-SD 2.98Å; D1015-M1019 WeakPolarHBondContact O-CB 3.09Å; D1015-M1019 PolarHBondContact O-N 3.22Å; D1015-M1019 VanDerWaalsContact O-N 3.1Å; I1016-M1019 PolarHBondContact O-N 3.2Å; M1019-N1021 VanDerWaalsContact C-N 3.28Å; M1019-N1021 PolarHBondContact O-N 2.65Å
1020E95.5Very high95.4Very high0 Ų019.3 Ų19.30%010%0.096CC..Hα-helixtrans-77.9-10.5179.2-72.7-79.2-171.500113.5F944 G946 H948 I984 R1002 Y1004 I1016 S1022F944-E1020 HydrophobicContact CD1-CG 4.15Å; F944-E1020 HydrophobicContact CE1-CG 4.47Å; G946-E1020 WeakPolarHBondContact CA-O 3.46Å; H948-E1020 IonicContact ND1-OE2 2.68Å; I984-E1020 HydrophobicContact CD1-CB 3.73Å; I984-E1020 HydrophobicContact CD1-CG 3.57Å; R1002-E1020 WeakPolarHBondContact CD-OE1 3.41Å; R1002-E1020 IonicContact CZ-OE1 2.81Å; R1002-E1020 IonicContact CZ-OE2 3.21Å; R1002-E1020 IonicContact NE-OE1 3.07Å; R1002-E1020 IonicContact NH1-OE1 3.95Å; R1002-E1020 PolarHBondContact NH1-OE1 3.3Å; R1002-E1020 IonicContact NH1-OE2 3.7Å; R1002-E1020 PolarHBondContact NH1-OE2 2.84Å; Y1004-E1020 HydrophobicContact CE2-CG 4.28Å; Y1004-E1020 WeakPolarHBondContact CE2-OE1 3.5Å; Y1004-E1020 PolarHBondContact OH-OE1 3.25Å; I1016-E1020 HydrophobicContact CG2-CG 4.11Å; I1016-E1020 VanDerWaalsContact O-CB 3.29Å; I1016-E1020 WeakPolarHBondContact O-CB 3.49Å; I1016-E1020 WeakPolarHBondContact O-CG 3.36Å; I1016-E1020 PolarHBondContact O-N 3.1Å; E1020-S1022 VanDerWaalsContact C-N 3.26Å; E1020-S1022 WeakPolarHBondContact CB-OG 3.19Å; E1020-S1022 PolarHBondContact O-N 3.05Å
1021N93.4Very high95.2Very high124 Ų12419 Ų1966%0.66310%0.095SC*.THydrogen-bonded Turntrans4652.7-173.1-172.336.8000111.6Y1017 E1018 M1019Y1017-N1021 PolarHBondContact O-N 3.48Å; E1018-N1021 PolarHBondContact O-N 3.49Å; M1019-N1021 VanDerWaalsContact C-N 3.28Å; M1019-N1021 PolarHBondContact O-N 2.65Å
1022S94.1Very high94.8Very high8 Ų819.4 Ų19.46%0.05610%0.096CC..  trans-71.8149.7-170.9-66.60000112.9H948 I950 Y1017 E1020 G1024H948-S1022 CarbonylContact O-C 3.59Å; H948-S1022 WeakPolarHBondContact O-CA 3.38Å; H948-S1022 WeakPolarHBondContact O-CB 3.49Å; I950-S1022 WeakPolarHBondContact CD1-OG 3.47Å; I950-S1022 WeakPolarHBondContact CG1-OG 3.37Å; Y1017-S1022 PolarHBondContact O-N 2.99Å; E1020-S1022 VanDerWaalsContact C-N 3.26Å; E1020-S1022 WeakPolarHBondContact CB-OG 3.19Å; E1020-S1022 PolarHBondContact O-N 3.05Å; S1022-G1024 PolarHBondContact O-N 2.81Å
1023E91.9Very high94.5Very high84 Ų8419.6 Ų19.639%0.39310%0.097SC..SBendtrans-67.5-22.2179.2-67.2-164.3162.900113.6H948 R981 K1047H948-E1023 PolarHBondContact O-N 3.04Å; R981-E1023 IonicContact CZ-OE2 3.17Å; R981-E1023 IonicContact NH1-OE2 2.85Å; R981-E1023 PolarHBondContact NH1-OE2 2.83Å; E1023-K1047 WeakPolarHBondContact O-CD 3.44Å; E1023-K1047 WeakPolarHBondContact O-CE 3.49Å; E1023-K1047 PolarHBondContact O-NZ 2.83Å
1024G94.1Very high94.3Very high0 Ų019.6 Ų19.60%010%0.097CC..EExtended strand (participates in β ladder)trans163.6175.9177.600000112.9I950 S1022 K1047I950-G1024 PolarHBondContact N-O 3.5Å; S1022-G1024 PolarHBondContact O-N 2.81Å; G1024-K1047 CarbonylContact C-O 3.53Å; G1024-K1047 WeakPolarHBondContact CA-O 3.45Å
1025I97.8Very high94Very high0 Ų019.4 Ų19.40%010%0.096CC..EExtended strand (participates in β ladder)trans-122.1125.4-173.7-50.5173.2000109.7I950 V952 V1013 Y1017 L1027 L1041 A1046 K1047 V1048 L1049I950-I1025 HydrophobicContact CB-CG1 4.35Å; I950-I1025 HydrophobicContact CB-CG2 4.37Å; I950-I1025 HydrophobicContact CD1-CG1 4.35Å; I950-I1025 HydrophobicContact CG2-CG2 4.11Å; I950-I1025 CarbonylContact O-C 3.57Å; V952-I1025 HydrophobicContact CG2-CG2 3.67Å; V1013-I1025 HydrophobicContact CG1-CD1 4.19Å; Y1017-I1025 HydrophobicContact CD2-CD1 3.7Å; Y1017-I1025 HydrophobicContact CD2-CG1 3.68Å; Y1017-I1025 HydrophobicContact CE2-CD1 4.31Å; Y1017-I1025 HydrophobicContact CE2-CG1 4.14Å; Y1017-I1025 HydrophobicContact CG-CD1 3.97Å; Y1017-I1025 HydrophobicContact CG-CG1 4.43Å; I1025-L1027 HydrophobicContact CG2-CD2 3.64Å; I1025-L1027 HydrophobicContact CG2-CG 4.21Å; I1025-L1041 HydrophobicContact CD1-CD1 4.16Å; I1025-L1041 HydrophobicContact CD1-CD2 4.26Å; I1025-A1046 HydrophobicContact CD1-CB 4.05Å; I1025-K1047 PolarHBondContact N-O 2.73Å; I1025-V1048 CarbonylContact O-C 3.55Å; I1025-V1048 WeakPolarHBondContact O-CA 3.33Å; I1025-L1049 PolarHBondContact O-N 3.42Å
1026I98Very high93.6Very high0 Ų022.9 Ų22.90%012%0.115CC..EExtended strand (participates in β ladder)trans-97.7113.7172.3-59.6176.7000108.6T949 I950 V951 V952 L976 M1029 L1049 I1256T949-I1026 HydrophobicContact CG2-CD1 3.85Å; T949-I1026 HydrophobicContact CG2-CG1 4.13Å; I950-I1026 PolarHBondContact O-N 3.08Å; V951-I1026 HydrophobicContact CG2-CB 4.48Å; V951-I1026 HydrophobicContact CG2-CD1 4.39Å; V952-I1026 PolarHBondContact N-O 3.28Å; V952-I1026 VanDerWaalsContact N-O 3.13Å; L976-I1026 HydrophobicContact CD1-CD1 4.16Å; I1026-M1029 HydrophobicContact CG2-CG 3.87Å; I1026-L1049 HydrophobicContact CG1-CB 3.99Å; I1026-L1049 HydrophobicContact CG1-CD1 4.14Å; I1026-I1256 HydrophobicContact CD1-CG2 3.8Å; I1026-I1256 HydrophobicContact CG1-CG2 3.9Å; I1026-I1256 HydrophobicContact CG2-CD1 4.3Å
1027L96.2Very high93.3Very high2 Ų223.6 Ų23.61%0.0112%0.119CC..  trans-98.8-27.8179.1-57.7176.5000112.8V952 I1025 M1029 G1030 P1034 A1038 L1041 V1048V952-L1027 HydrophobicContact CB-CD2 4.18Å; V952-L1027 HydrophobicContact CG2-CD2 3.73Å; I1025-L1027 HydrophobicContact CG2-CD2 3.64Å; I1025-L1027 HydrophobicContact CG2-CG 4.21Å; L1027-M1029 PolarHBondContact O-N 3.44Å; L1027-G1030 PolarHBondContact O-N 2.71Å; L1027-P1034 HydrophobicContact CB-CB 4.02Å; L1027-P1034 HydrophobicContact CD2-CB 3.91Å; L1027-A1038 HydrophobicContact CD1-CB 3.51Å; L1027-L1041 HydrophobicContact CD1-CD1 4.19Å; L1027-L1041 HydrophobicContact CD2-CD1 4.07Å; L1027-V1048 HydrophobicContact CD1-CG1 3.91Å; L1027-V1048 HydrophobicContact CD1-CG2 4.08Å; L1027-V1048 HydrophobicContact CG-CG1 4.2Å
1028S95.7Very high93Very high8 Ų821.8 Ų21.86%0.05611%0.112CC..THydrogen-bonded Turntrans-68.4-1.5-167.356.90000115.8R1232 V1233S1028-R1232 WeakPolarHBondContact O-CB 3.5Å; S1028-V1233 WeakPolarHBondContact O-CG2 3.41Å; S1028-V1233 PolarHBondContact O-N 3.27Å
1029M96.2Very high92.6Very high0 Ų020.8 Ų20.80%011%0.108CC..THydrogen-bonded Turntrans-100-30.8-179.1-58.1-61.2170.500113.3V951 C968 A969 C972 I1026 L1027 G1031 P1212 V1233 V1249 A1252 I1256V951-M1029 HydrophobicContact CG1-CB 4.48Å; C968-M1029 HydrophobicContact CB-CB 4.49Å; C968-M1029 HydrophobicContact CB-SD 4.36Å; A969-M1029 HydrophobicContact CB-CB 4.46Å; C972-M1029 HydrophobicContact CB-CE 4.17Å; C972-M1029 HydrophobicContact CB-CG 3.85Å; C972-M1029 HydrophobicContact CB-SD 4.17Å; I1026-M1029 HydrophobicContact CG2-CG 3.87Å; L1027-M1029 PolarHBondContact O-N 3.44Å; M1029-G1031 PolarHBondContact O-N 3.06Å; M1029-P1212 HydrophobicContact CE-CG 4.3Å; M1029-V1233 WeakPolarHBondContact O-CG2 3.45Å; M1029-V1233 HydrophobicContact SD-CG1 3.66Å; M1029-V1249 HydrophobicContact SD-CG1 4.24Å; M1029-A1252 HydrophobicContact CE-CB 4.22Å; M1029-I1256 HydrophobicContact CE-CD1 3.56Å
1030G90.3Very high92.3Very high0 Ų021.3 Ų21.30%011%0.111CC..SBendtrans-91.314.7-173.300000115.2S954 L1027 P1034S954-G1030 WeakPolarHBondContact CA-O 3.49Å; L1027-G1030 PolarHBondContact O-N 2.71Å; G1030-P1034 WeakPolarHBondContact O-CD 3.49Å
1031G90.4Very high92.1Very high0 Ų021.3 Ų21.30%011%0.111CC..  trans81.3-145.8174.600000114.7M1029 R1232M1029-G1031 PolarHBondContact O-N 3.06Å; G1031-R1232 VanDerWaalsContact C-CD 3.45Å; G1031-R1232 WeakPolarHBondContact O-CD 3.34Å
1032Q88.1Confident91.8Very high18 Ų1818.8 Ų18.88%0.08410%0.095CC..Hα-helixtrans-76.7-34.5-172.4-165.857.538.100113.2N1035 N1036 E1060Q1032-N1035 WeakPolarHBondContact O-CB 3.41Å; Q1032-N1035 PolarHBondContact O-N 2.93Å; Q1032-N1036 PolarHBondContact NE2-OD1 2.74Å; Q1032-N1036 PolarHBondContact O-N 3.36Å; Q1032-N1036 PolarHBondContact O-OD1 2.89Å; Q1032-E1060 PolarHBondContact NE2-OE1 2.97Å
1033L90.3Very high91.3Very high16 Ų1622.9 Ų22.98%0.08411%0.109CC..Hα-helixtrans-60.5-46.4-174.917667.9000112.3Y988 I1008 N1036Y988-L1033 HydrophobicContact CE1-CD2 4.49Å; Y988-L1033 VanDerWaalsContact OH-CD2 3.3Å; Y988-L1033 WeakPolarHBondContact OH-CD2 3.4Å; I1008-L1033 HydrophobicContact CB-CD2 3.92Å; I1008-L1033 HydrophobicContact CB-CG 4.26Å; I1008-L1033 HydrophobicContact CD1-CD2 4.03Å; I1008-L1033 HydrophobicContact CG2-CD2 4.17Å; I1008-L1033 HydrophobicContact CG2-CG 3.98Å; L1033-N1036 PolarHBondContact O-N 2.71Å
1034P93Very high91Very high0 Ų021.3 Ų21.30%010%0.102CC..Hα-helixtrans-67-36.5173.4-22.735.5000113.7V952 G953 L1027 G1030 N1036 I1037V952-P1034 HydrophobicContact CB-CB 4.06Å; V952-P1034 HydrophobicContact CB-CG 4.14Å; V952-P1034 HydrophobicContact CG1-CB 3.89Å; V952-P1034 HydrophobicContact CG1-CG 3.76Å; G953-P1034 VanDerWaalsContact O-CG 3.24Å; G953-P1034 WeakPolarHBondContact O-CG 3.18Å; L1027-P1034 HydrophobicContact CB-CB 4.02Å; L1027-P1034 HydrophobicContact CD2-CB 3.91Å; G1030-P1034 WeakPolarHBondContact O-CD 3.49Å; P1034-N1036 VanDerWaalsContact C-N 3.27Å; P1034-N1036 PolarHBondContact O-N 2.76Å; P1034-I1037 WeakPolarHBondContact O-CG1 3.17Å; P1034-I1037 PolarHBondContact O-N 3.41Å
1035N90Very high90.5Very high4 Ų430 Ų302%0.02114%0.142CC..Hα-helixtrans-60.6-37.6177.2-92.625.2000112.2Q1032 I1037 A1038 I1056 E1060Q1032-N1035 WeakPolarHBondContact O-CB 3.41Å; Q1032-N1035 PolarHBondContact O-N 2.93Å; N1035-I1037 PolarHBondContact O-N 2.92Å; N1035-I1037 VanDerWaalsContact O-N 3.11Å; N1035-A1038 WeakPolarHBondContact O-CB 3.46Å; N1035-A1038 PolarHBondContact O-N 3.12Å; N1035-I1056 HydrophobicContact CB-CG2 4.41Å; N1035-E1060 WeakPolarHBondContact CB-OE1 3.34Å; N1035-E1060 PolarHBondContact ND2-OE1 2.72Å
1036N86.8Confident90.2Very high78 Ų7830.1 Ų30.142%0.41714%0.144SC..THydrogen-bonded Turntrans-59.6-24.8-179.3-70.7-12.6000113.5Q1032 L1033 P1034Q1032-N1036 PolarHBondContact NE2-OD1 2.74Å; Q1032-N1036 PolarHBondContact O-N 3.36Å; Q1032-N1036 PolarHBondContact O-OD1 2.89Å; L1033-N1036 PolarHBondContact O-N 2.71Å; P1034-N1036 VanDerWaalsContact C-N 3.27Å; P1034-N1036 PolarHBondContact O-N 2.76Å
1037I91.2Very high89.9Confident15 Ų1535.7 Ų35.78%0.07717%0.168CC..THydrogen-bonded Turntrans-100.30.5177.762.3168.3000113.4I1008 V1013 P1034 N1035 M1039 D1040 L1041I1008-I1037 HydrophobicContact CG2-CD1 4.26Å; V1013-I1037 HydrophobicContact CB-CD1 4.23Å; V1013-I1037 HydrophobicContact CG1-CD1 4.46Å; V1013-I1037 HydrophobicContact CG2-CD1 3.92Å; P1034-I1037 WeakPolarHBondContact O-CG1 3.17Å; P1034-I1037 PolarHBondContact O-N 3.41Å; N1035-I1037 PolarHBondContact O-N 2.92Å; N1035-I1037 VanDerWaalsContact O-N 3.11Å; I1037-M1039 VanDerWaalsContact C-N 3.35Å; I1037-M1039 PolarHBondContact O-N 2.99Å; I1037-D1040 PolarHBondContact O-N 3.26Å; I1037-D1040 VanDerWaalsContact O-N 3.15Å; I1037-L1041 HydrophobicContact CD1-CD1 3.95Å; I1037-L1041 HydrophobicContact CD1-CG 4.5Å; I1037-L1041 HydrophobicContact CG1-CD1 4.03Å; I1037-L1041 WeakPolarHBondContact O-CG 3.33Å; I1037-L1041 PolarHBondContact O-N 2.82Å
1038A91.8Very high89.8Confident1 Ų136.8 Ų36.81%0.00818%0.175CC..Hα-helixtrans-58.2-44.3-175.700000112.7L1027 N1035 H1042 P1053 I1056L1027-A1038 HydrophobicContact CD1-CB 3.51Å; N1035-A1038 WeakPolarHBondContact O-CB 3.46Å; N1035-A1038 PolarHBondContact O-N 3.12Å; A1038-H1042 VanDerWaalsContact O-CB 3.28Å; A1038-H1042 WeakPolarHBondContact O-CB 3.39Å; A1038-H1042 PolarHBondContact O-N 2.86Å; A1038-P1053 HydrophobicContact CB-CB 4.18Å; A1038-P1053 HydrophobicContact CB-CG 4.49Å; A1038-I1056 HydrophobicContact CB-CD1 4.21Å
1039M86.3Confident89.7Confident42 Ų4237.7 Ų37.721%0.20718%0.179CC..Hα-helixtrans-70.5-33.4178.8-76.3-59.4-61.500112.6I1037 H1042 R1043 P1053 D1057I1037-M1039 VanDerWaalsContact C-N 3.35Å; I1037-M1039 PolarHBondContact O-N 2.99Å; M1039-H1042 PolarHBondContact O-N 3.36Å; M1039-R1043 WeakPolarHBondContact O-CB 3.49Å; M1039-R1043 WeakPolarHBondContact O-CD 3.32Å; M1039-R1043 WeakPolarHBondContact O-CG 3.38Å; M1039-R1043 PolarHBondContact O-N 3.49Å; M1039-P1053 HydrophobicContact SD-CB 3.97Å; M1039-D1057 HydrophobicContact CG-CB 4.05Å; M1039-D1057 HydrophobicContact SD-CB 4.07Å
1040D87.1Confident89.6Confident48 Ų4838.8 Ų38.826%0.25719%0.19SC..Hα-helixtrans-71.4-41.5179-65.2-25.4000111F1010 I1037 R1043 Q1044F1010-D1040 HydrophobicContact CB-CB 4.36Å; F1010-D1040 HydrophobicContact CD2-CB 3.93Å; F1010-D1040 HydrophobicContact CG-CB 4.22Å; I1037-D1040 PolarHBondContact O-N 3.26Å; I1037-D1040 VanDerWaalsContact O-N 3.15Å; D1040-R1043 PolarHBondContact O-N 3.37Å; D1040-R1043 IonicContact OD1-NH1 3.89Å; D1040-R1043 PolarHBondContact OD1-NH1 3.03Å; D1040-Q1044 PolarHBondContact O-N 3.03Å
1041L92.1Very high89.7Confident0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-60.6-47.2170.8-70.7172.9000111.7F1010 V1013 M1014 I1025 L1027 I1037 R1043 Q1044 Q1045 A1046F1010-L1041 HydrophobicContact CD2-CD2 4.25Å; V1013-L1041 HydrophobicContact CB-CD2 4.47Å; V1013-L1041 HydrophobicContact CG1-CD1 4.14Å; V1013-L1041 HydrophobicContact CG1-CD2 3.98Å; M1014-L1041 HydrophobicContact SD-CD2 4.38Å; I1025-L1041 HydrophobicContact CD1-CD1 4.16Å; I1025-L1041 HydrophobicContact CD1-CD2 4.26Å; L1027-L1041 HydrophobicContact CD1-CD1 4.19Å; L1027-L1041 HydrophobicContact CD2-CD1 4.07Å; I1037-L1041 HydrophobicContact CD1-CD1 3.95Å; I1037-L1041 HydrophobicContact CD1-CG 4.5Å; I1037-L1041 HydrophobicContact CG1-CD1 4.03Å; I1037-L1041 WeakPolarHBondContact O-CG 3.33Å; I1037-L1041 PolarHBondContact O-N 2.82Å; L1041-R1043 VanDerWaalsContact C-N 3.34Å; L1041-R1043 PolarHBondContact O-N 3.42Å; L1041-Q1044 CarbonylContact O-C 3.34Å; L1041-Q1044 PolarHBondContact O-N 3.18Å; L1041-Q1044 VanDerWaalsContact O-N 3.11Å; L1041-Q1045 PolarHBondContact O-N 2.9Å; L1041-A1046 HydrophobicContact CB-CB 4.08Å; L1041-A1046 HydrophobicContact CD2-CB 4.33Å; L1041-A1046 WeakPolarHBondContact O-CB 3.3Å; L1041-A1046 PolarHBondContact O-N 3.43Å
1042H86.9Confident89.6Confident70 Ų7040.6 Ų40.632%0.32420%0.202SC..Hα-helixtrans-59.7-42.7178.6-178.673.6000112.6A1038 M1039 Q1044 Q1045 P1053 E1054A1038-H1042 VanDerWaalsContact O-CB 3.28Å; A1038-H1042 WeakPolarHBondContact O-CB 3.39Å; A1038-H1042 PolarHBondContact O-N 2.86Å; M1039-H1042 PolarHBondContact O-N 3.36Å; H1042-Q1044 PolarHBondContact O-N 2.81Å; H1042-Q1045 PolarHBondContact O-N 2.98Å; H1042-P1053 HydrophobicContact CB-CB 3.74Å; H1042-P1053 HydrophobicContact CB-CG 3.82Å; H1042-E1054 IonicContact CE1-OE1 3.06Å; H1042-E1054 PolarHBondContact CE1-OE1 3.09Å; H1042-E1054 IonicContact CE1-OE2 3.72Å; H1042-E1054 IonicContact NE2-OE1 2.9Å; H1042-E1054 PolarHBondContact NE2-OE1 3.49Å
1043R82.8Confident89.7Confident95 Ų9540 Ų4036%0.35820%0.2SC..Hα-helixtrans-63.5-26.8177.7-74.8165.7-178.7153.7-2.6112.7M1039 D1040 L1041 Q1045M1039-R1043 WeakPolarHBondContact O-CB 3.49Å; M1039-R1043 WeakPolarHBondContact O-CD 3.32Å; M1039-R1043 WeakPolarHBondContact O-CG 3.38Å; M1039-R1043 PolarHBondContact O-N 3.49Å; D1040-R1043 PolarHBondContact O-N 3.37Å; D1040-R1043 IonicContact OD1-NH1 3.89Å; D1040-R1043 PolarHBondContact OD1-NH1 3.03Å; L1041-R1043 VanDerWaalsContact C-N 3.34Å; L1041-R1043 PolarHBondContact O-N 3.42Å; R1043-Q1045 VanDerWaalsContact C-N 3.3Å
1044Q85.2Confident89.4Confident50 Ų5042.4 Ų42.423%0.23421%0.211CC..THydrogen-bonded Turntrans-93.918.5173.6-61.9-61.6-41.100112.9L899 F1010 M1014 D1040 L1041 H1042 A1046L899-Q1044 HydrophobicContact CD2-CG 4.49Å; F1010-Q1044 HydrophobicContact CE2-CB 4.12Å; F1010-Q1044 HydrophobicContact CE2-CG 3.57Å; F1010-Q1044 HydrophobicContact CZ-CB 4.48Å; F1010-Q1044 HydrophobicContact CZ-CG 3.63Å; M1014-Q1044 HydrophobicContact CE-CB 3.81Å; M1014-Q1044 HydrophobicContact SD-CB 4.11Å; D1040-Q1044 PolarHBondContact O-N 3.03Å; L1041-Q1044 CarbonylContact O-C 3.34Å; L1041-Q1044 PolarHBondContact O-N 3.18Å; L1041-Q1044 VanDerWaalsContact O-N 3.11Å; H1042-Q1044 PolarHBondContact O-N 2.81Å; Q1044-A1046 PolarHBondContact O-N 2.93Å
1045Q85Confident89.2Confident182 Ų18243 Ų4385%0.8522%0.215SC*.THydrogen-bonded Turntrans61.520.9175.9-52.4-174.8-41.600114.6L1041 H1042 R1043L1041-Q1045 PolarHBondContact O-N 2.9Å; H1042-Q1045 PolarHBondContact O-N 2.98Å; R1043-Q1045 VanDerWaalsContact C-N 3.3Å
1046A90.3Very high89.2Confident4 Ų443 Ų433%0.03322%0.215CC..  trans-70.3134.5171.200000110.3M1014 Y1017 I1025 L1041 Q1044 V1048M1014-A1046 HydrophobicContact SD-CB 4.19Å; Y1017-A1046 HydrophobicContact CD1-CB 4.07Å; Y1017-A1046 HydrophobicContact CE1-CB 3.86Å; I1025-A1046 HydrophobicContact CD1-CB 4.05Å; L1041-A1046 HydrophobicContact CB-CB 4.08Å; L1041-A1046 HydrophobicContact CD2-CB 4.33Å; L1041-A1046 WeakPolarHBondContact O-CB 3.3Å; L1041-A1046 PolarHBondContact O-N 3.43Å; Q1044-A1046 PolarHBondContact O-N 2.93Å; A1046-V1048 PolarHBondContact O-N 3.47Å; A1046-V1048 VanDerWaalsContact O-N 3.16Å
1047K91.6Very high89.1Confident117 Ų11740.2 Ų40.251%0.50920%0.2SC..  trans-80.499.6-177.1-177.5172.8163.4-142.90110.8Y1017 E1023 G1024 I1025 L1049Y1017-K1047 PolarHBondContact OH-N 2.92Å; E1023-K1047 WeakPolarHBondContact O-CD 3.44Å; E1023-K1047 WeakPolarHBondContact O-CE 3.49Å; E1023-K1047 PolarHBondContact O-NZ 2.83Å; G1024-K1047 CarbonylContact C-O 3.53Å; G1024-K1047 WeakPolarHBondContact CA-O 3.45Å; I1025-K1047 PolarHBondContact N-O 2.73Å; K1047-L1049 HydrophobicContact CD-CD2 4.49Å; K1047-L1049 HydrophobicContact CG-CD2 4.23Å
1048V94.1Very high88.8Confident25 Ų2540.8 Ų40.815%0.15221%0.205CC..EExtended strand (participates in β ladder)trans-81126.6172.2-1790000109.7I1025 L1027 A1046 P1053I1025-V1048 CarbonylContact O-C 3.55Å; I1025-V1048 WeakPolarHBondContact O-CA 3.33Å; L1027-V1048 HydrophobicContact CD1-CG1 3.91Å; L1027-V1048 HydrophobicContact CD1-CG2 4.08Å; L1027-V1048 HydrophobicContact CG-CG1 4.2Å; A1046-V1048 PolarHBondContact O-N 3.47Å; A1046-V1048 VanDerWaalsContact O-N 3.16Å; V1048-P1053 HydrophobicContact CB-CG 3.77Å; V1048-P1053 HydrophobicContact CG1-CG 4.07Å; V1048-P1053 HydrophobicContact CG2-CG 3.74Å
1049L94.4Very high88.7Confident27 Ų2740.9 Ų40.914%0.14121%0.205CC..EExtended strand (participates in β ladder)trans-92.8145.9178.9-58.2178.9000110.9T949 I1025 I1026 K1047 I1256T949-L1049 HydrophobicContact CG2-CD1 3.84Å; I1025-L1049 PolarHBondContact O-N 3.42Å; I1026-L1049 HydrophobicContact CG1-CB 3.99Å; I1026-L1049 HydrophobicContact CG1-CD1 4.14Å; K1047-L1049 HydrophobicContact CD-CD2 4.49Å; K1047-L1049 HydrophobicContact CG-CD2 4.23Å; L1049-I1256 HydrophobicContact CB-CG2 3.74Å
1050G93.8Very high88.7Confident22 Ų2239.5 Ų39.523%0.22720%0.199CC..SBendtrans93.4-136.9-175.900000112T1210G1050-T1210 CarbonylContact C-O 3.52Å; G1050-T1210 VanDerWaalsContact C-O 3.24Å; G1050-T1210 VanDerWaalsContact CA-O 3.29Å; G1050-T1210 WeakPolarHBondContact CA-O 3.42Å
1051T93.1Very high88.5Confident8 Ų837.4 Ų37.45%0.04919%0.187CC..SBendtrans-72.1138-178.8-55.80000110.3S1055 T1210 V1231T1051-S1055 VanDerWaalsContact CG2-CB 3.48Å; T1051-T1210 PolarHBondContact N-O 3.24Å; T1051-T1210 PolarHBondContact OG1-N 3.32Å; T1051-T1210 PolarHBondContact OG1-O 3.03Å; T1051-V1231 HydrophobicContact CG2-CB 4.44Å; T1051-V1231 HydrophobicContact CG2-CG1 3.41Å; T1051-V1231 VanDerWaalsContact CG2-CG1 3.41Å; T1051-V1231 WeakPolarHBondContact OG1-CG1 3.35Å
1052S88.5Confident88Confident31 Ų3138 Ų3822%0.21719%0.189CC..  trans-66.3146.3-173.681.60000111.9E1054 S1055 I1056S1052-E1054 VanDerWaalsContact CB-OE2 3.27Å; S1052-E1054 WeakPolarHBondContact CB-OE2 3.47Å; S1052-E1054 PolarHBondContact O-N 3.47Å; S1052-E1054 VanDerWaalsContact O-N 3.15Å; S1052-E1054 PolarHBondContact OG-OE2 3.02Å; S1052-S1055 WeakPolarHBondContact O-CA 3.49Å; S1052-S1055 WeakPolarHBondContact O-CB 3.17Å; S1052-S1055 PolarHBondContact O-N 2.76Å; S1052-S1055 PolarHBondContact OG-N 2.79Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.5Å; S1052-I1056 PolarHBondContact O-N 2.71Å
1053P90.1Very high87.5Confident5 Ų536 Ų363%0.03218%0.18CC..Hα-helixtrans-53.1-32.6175.9-32.240.8000114.3A1038 M1039 H1042 V1048 I1056 D1057A1038-P1053 HydrophobicContact CB-CB 4.18Å; A1038-P1053 HydrophobicContact CB-CG 4.49Å; M1039-P1053 HydrophobicContact SD-CB 3.97Å; H1042-P1053 HydrophobicContact CB-CB 3.74Å; H1042-P1053 HydrophobicContact CB-CG 3.82Å; V1048-P1053 HydrophobicContact CB-CG 3.77Å; V1048-P1053 HydrophobicContact CG1-CG 4.07Å; V1048-P1053 HydrophobicContact CG2-CG 3.74Å; P1053-I1056 WeakPolarHBondContact O-CB 2.99Å; P1053-I1056 PolarHBondContact O-N 2.81Å; P1053-D1057 PolarHBondContact O-N 2.97Å
1054E84.1Confident87.4Confident66 Ų6633.3 Ų33.331%0.30817%0.171SC..Hα-helixtrans-70.2-34.9175.4-53.194.7142.600112.8H1042 S1052 C1058H1042-E1054 IonicContact CE1-OE1 3.06Å; H1042-E1054 PolarHBondContact CE1-OE1 3.09Å; H1042-E1054 IonicContact CE1-OE2 3.72Å; H1042-E1054 IonicContact NE2-OE1 2.9Å; H1042-E1054 PolarHBondContact NE2-OE1 3.49Å; S1052-E1054 VanDerWaalsContact CB-OE2 3.27Å; S1052-E1054 WeakPolarHBondContact CB-OE2 3.47Å; S1052-E1054 PolarHBondContact O-N 3.47Å; S1052-E1054 VanDerWaalsContact O-N 3.15Å; S1052-E1054 PolarHBondContact OG-OE2 3.02Å; E1054-C1058 VanDerWaalsContact O-CB 3.28Å; E1054-C1058 WeakPolarHBondContact O-CB 3.33Å; E1054-C1058 PolarHBondContact O-N 2.89Å
1055S87.7Confident87.5Confident12 Ų1231 Ų318%0.08416%0.16CC..Hα-helixtrans-70.5-35.4172.5-75.90000111.5T1051 S1052 C1058 A1059 L1207T1051-S1055 VanDerWaalsContact CG2-CB 3.48Å; S1052-S1055 WeakPolarHBondContact O-CA 3.49Å; S1052-S1055 WeakPolarHBondContact O-CB 3.17Å; S1052-S1055 PolarHBondContact O-N 2.76Å; S1052-S1055 PolarHBondContact OG-N 2.79Å; S1055-C1058 PolarHBondContact O-N 3.46Å; S1055-A1059 WeakPolarHBondContact O-CB 3.18Å; S1055-A1059 PolarHBondContact O-N 3.33Å; S1055-L1207 WeakPolarHBondContact CB-O 3.44Å; S1055-L1207 PolarHBondContact OG-O 2.83Å
1056I89.7Confident87.5Confident6 Ų622.4 Ų22.43%0.03112%0.12CC..Hα-helixtrans-60.2-52.8170.7-62.8172.7000109.5N1035 A1038 S1052 P1053 C1058 A1059 E1060N1035-I1056 HydrophobicContact CB-CG2 4.41Å; A1038-I1056 HydrophobicContact CB-CD1 4.21Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.5Å; S1052-I1056 PolarHBondContact O-N 2.71Å; P1053-I1056 WeakPolarHBondContact O-CB 2.99Å; P1053-I1056 PolarHBondContact O-N 2.81Å; I1056-C1058 VanDerWaalsContact C-N 3.31Å; I1056-C1058 PolarHBondContact O-N 2.9Å; I1056-A1059 PolarHBondContact O-N 2.9Å; I1056-A1059 VanDerWaalsContact O-N 3.1Å; I1056-E1060 HydrophobicContact CG2-CG 4.29Å; I1056-E1060 WeakPolarHBondContact O-CG 3.47Å; I1056-E1060 PolarHBondContact O-N 3.06Å
1057D85.4Confident86.9Confident19 Ų1925.3 Ų25.310%0.10213%0.13CC..Hα-helixtrans-62.1-35.8177.6175.775.4000112.4M1039 P1053 A1059 N1061 K1064 Y1105M1039-D1057 HydrophobicContact CG-CB 4.05Å; M1039-D1057 HydrophobicContact SD-CB 4.07Å; P1053-D1057 PolarHBondContact O-N 2.97Å; D1057-A1059 VanDerWaalsContact C-N 3.31Å; D1057-A1059 PolarHBondContact O-N 3.25Å; D1057-N1061 WeakPolarHBondContact O-CB 3.47Å; D1057-N1061 PolarHBondContact O-N 3.14Å; D1057-K1064 WeakPolarHBondContact OD2-CD 3.35Å; D1057-K1064 WeakPolarHBondContact OD2-CE 3.17Å; D1057-K1064 IonicContact OD2-NZ 2.92Å; D1057-K1064 PolarHBondContact OD2-NZ 3.31Å; D1057-Y1105 WeakPolarHBondContact OD1-CE1 3.38Å; D1057-Y1105 PolarHBondContact OD1-OH 3.33Å
1058C85.3Confident86.5Confident26 Ų2620 Ų2018%0.17611%0.107CC..Hα-helixtrans-63.1-36.7174.8-169.60000112.5E1054 S1055 I1056 F1065 L1207E1054-C1058 VanDerWaalsContact O-CB 3.28Å; E1054-C1058 WeakPolarHBondContact O-CB 3.33Å; E1054-C1058 PolarHBondContact O-N 2.89Å; S1055-C1058 PolarHBondContact O-N 3.46Å; I1056-C1058 VanDerWaalsContact C-N 3.31Å; I1056-C1058 PolarHBondContact O-N 2.9Å; C1058-F1065 WeakPolarHBondContact O-CA 3.23Å; C1058-F1065 WeakPolarHBondContact O-CB 3.39Å; C1058-F1065 PolarHBondContact O-N 3.04Å; C1058-F1065 VanDerWaalsContact O-N 3.07Å; C1058-L1207 HydrophobicContact CB-CD2 4.27Å
1059A89.2Confident86.1Confident3 Ų318.9 Ų18.93%0.02510%0.1CC..Hα-helixtrans-78.3-40.7178.600000112.8S1055 I1056 D1057 L1207 C1229 V1231S1055-A1059 WeakPolarHBondContact O-CB 3.18Å; S1055-A1059 PolarHBondContact O-N 3.33Å; I1056-A1059 PolarHBondContact O-N 2.9Å; I1056-A1059 VanDerWaalsContact O-N 3.1Å; D1057-A1059 VanDerWaalsContact C-N 3.31Å; D1057-A1059 PolarHBondContact O-N 3.25Å; A1059-L1207 HydrophobicContact CB-CD1 4.1Å; A1059-L1207 HydrophobicContact CB-CD2 3.98Å; A1059-C1229 WeakPolarHBondContact CB-O 3.24Å; A1059-V1231 HydrophobicContact CB-CG2 3.42Å; A1059-V1231 VanDerWaalsContact CB-CG2 3.42Å
1060E86.8Confident85.5Confident14 Ų1422 Ų227%0.06512%0.117CC..Hα-helixtrans-76.7-35-178.3-69.1-174.2170.100112.8Q1032 N1035 I1056 R1062 Y1105 V1106Q1032-E1060 PolarHBondContact NE2-OE1 2.97Å; N1035-E1060 WeakPolarHBondContact CB-OE1 3.34Å; N1035-E1060 PolarHBondContact ND2-OE1 2.72Å; I1056-E1060 HydrophobicContact CG2-CG 4.29Å; I1056-E1060 WeakPolarHBondContact O-CG 3.47Å; I1056-E1060 PolarHBondContact O-N 3.06Å; E1060-R1062 PolarHBondContact O-N 2.96Å; E1060-Y1105 HydrophobicContact CB-CD1 4.16Å; E1060-Y1105 WeakPolarHBondContact O-CA 3.2Å; E1060-V1106 HydrophobicContact CB-CB 4.45Å; E1060-V1106 HydrophobicContact CG-CB 4.44Å; E1060-V1106 PolarHBondContact O-N 3.48Å; E1060-V1106 VanDerWaalsContact O-N 3.12Å
1061N82Confident84.5Confident3 Ų326 Ų262%0.01613%0.126CC..BIsolated β-bridgetrans-76.6110.6176.3-176.4-44.6000110.2D1057 F1063 K1064 F1065 Y1105D1057-N1061 WeakPolarHBondContact O-CB 3.47Å; D1057-N1061 PolarHBondContact O-N 3.14Å; N1061-F1063 VanDerWaalsContact C-N 3.25Å; N1061-F1063 PolarHBondContact O-N 2.78Å; N1061-F1063 VanDerWaalsContact O-N 3.16Å; N1061-F1063 WeakPolarHBondContact OD1-CB 3.49Å; N1061-F1063 PolarHBondContact OD1-N 3.02Å; N1061-K1064 HydrophobicContact CB-CB 4.02Å; N1061-K1064 HydrophobicContact CB-CD 3.95Å; N1061-K1064 HydrophobicContact CB-CG 3.95Å; N1061-K1064 PolarHBondContact O-N 3.14Å; N1061-K1064 PolarHBondContact OD1-N 2.99Å; N1061-F1065 WeakPolarHBondContact O-CB 3.34Å; N1061-F1065 PolarHBondContact O-N 2.93Å; N1061-Y1105 HydrophobicContact CB-CE1 4Å; N1061-Y1105 HydrophobicContact CB-CE2 3.84Å; N1061-Y1105 VanDerWaalsContact ND2-CE2 3.34Å; N1061-Y1105 WeakPolarHBondContact ND2-CE2 3.42Å; N1061-Y1105 PolarHBondContact ND2-OH 2.86Å
1062R82.4Confident83.8Confident12 Ų1230.5 Ų30.55%0.04514%0.144CC..Hα-helixtrans-55-38.2-177.4-17764.9-155.4176.45.4113.4E1060 S1066 R1102 S1104 V1138 I1227E1060-R1062 PolarHBondContact O-N 2.96Å; R1062-S1066 VanDerWaalsContact CZ-OG 3.25Å; R1062-S1066 PolarHBondContact NE-OG 2.9Å; R1062-S1066 PolarHBondContact NH2-OG 2.81Å; R1062-S1066 WeakPolarHBondContact O-CB 3.18Å; R1062-S1066 PolarHBondContact O-N 3.44Å; R1062-S1066 PolarHBondContact O-OG 2.76Å; R1062-R1102 VanDerWaalsContact NE-NH2 3.17Å; R1062-S1104 WeakPolarHBondContact CB-O 3.49Å; R1062-S1104 PolarHBondContact N-O 2.66Å; R1062-V1138 HydrophobicContact CB-CG2 4.34Å; R1062-V1138 HydrophobicContact CG-CB 4.28Å; R1062-V1138 HydrophobicContact CG-CG1 3.97Å; R1062-V1138 HydrophobicContact CG-CG2 4.16Å; R1062-I1227 PolarHBondContact NH1-O 3.29Å
1063F75.5Confident83.5Confident28 Ų2832 Ų3212%0.12316%0.164CC..Hα-helixtrans-66.5-49.4178.1-178.7-79.7000110.5N1061 R1067 W1079 E1081 G2063N1061-F1063 VanDerWaalsContact C-N 3.25Å; N1061-F1063 PolarHBondContact O-N 2.78Å; N1061-F1063 VanDerWaalsContact O-N 3.16Å; N1061-F1063 WeakPolarHBondContact OD1-CB 3.49Å; N1061-F1063 PolarHBondContact OD1-N 3.02Å; F1063-R1067 VanDerWaalsContact O-CB 3.3Å; F1063-R1067 WeakPolarHBondContact O-CB 3.11Å; F1063-R1067 PolarHBondContact O-N 3.04Å; F1063-R1067 VanDerWaalsContact O-N 3.08Å; F1063-W1079 AromaticContact CD2-CH2 3.82Å; F1063-W1079 HydrophobicContact CD2-CH2 3.82Å; F1063-W1079 HydrophobicContact CD2-CZ3 4.18Å; F1063-W1079 HydrophobicContact CE2-CH2 4.19Å; F1063-W1079 HydrophobicContact CG-CH2 4.45Å; F1063-E1081 WeakPolarHBondContact CD2-OE2 3.47Å; F1063-G2063 VanDerWaalsContact CD1-C 3.43Å; F1063-G2063 WeakPolarHBondContact CE1-O 3.5Å
1064K80.9Confident83.4Confident40 Ų4032.2 Ų32.217%0.17417%0.165CC..Hα-helixtrans-61.6-46.3179.1-63.7-176.3179.8-172.90110.7D1057 N1061 M1068 E2060D1057-K1064 WeakPolarHBondContact OD2-CD 3.35Å; D1057-K1064 WeakPolarHBondContact OD2-CE 3.17Å; D1057-K1064 IonicContact OD2-NZ 2.92Å; D1057-K1064 PolarHBondContact OD2-NZ 3.31Å; N1061-K1064 HydrophobicContact CB-CB 4.02Å; N1061-K1064 HydrophobicContact CB-CD 3.95Å; N1061-K1064 HydrophobicContact CB-CG 3.95Å; N1061-K1064 PolarHBondContact O-N 3.14Å; N1061-K1064 PolarHBondContact OD1-N 2.99Å; K1064-M1068 VanDerWaalsContact O-CB 3.26Å; K1064-M1068 WeakPolarHBondContact O-CB 3.44Å; K1064-M1068 PolarHBondContact O-N 3.39Å; K1064-E2060 PolarHBondContact NZ-O 3.13Å
1065F87.3Confident83.7Confident2 Ų233.5 Ų33.51%0.00917%0.174CC..Hα-helixtrans-61.7-51178.6-174.3-112.8000112.4C1058 N1061 R1067 M1068 L1069 L1203 V1226 C1229C1058-F1065 WeakPolarHBondContact O-CA 3.23Å; C1058-F1065 WeakPolarHBondContact O-CB 3.39Å; C1058-F1065 PolarHBondContact O-N 3.04Å; C1058-F1065 VanDerWaalsContact O-N 3.07Å; N1061-F1065 WeakPolarHBondContact O-CB 3.34Å; N1061-F1065 PolarHBondContact O-N 2.93Å; F1065-R1067 PolarHBondContact O-N 3.22Å; F1065-M1068 HydrophobicContact CD2-CE 3.45Å; F1065-M1068 VanDerWaalsContact CD2-CE 3.45Å; F1065-M1068 HydrophobicContact CE2-CE 3.58Å; F1065-M1068 HydrophobicContact CG-CE 4.46Å; F1065-M1068 VanDerWaalsContact O-CB 3.3Å; F1065-M1068 WeakPolarHBondContact O-CB 3.45Å; F1065-M1068 PolarHBondContact O-N 3.43Å; F1065-M1068 VanDerWaalsContact O-N 3.13Å; F1065-L1069 HydrophobicContact CD1-CD1 4Å; F1065-L1069 HydrophobicContact CD1-CG 4.48Å; F1065-L1069 HydrophobicContact CE1-CD1 3.54Å; F1065-L1069 HydrophobicContact CE1-CG 4.22Å; F1065-L1069 HydrophobicContact CE2-CD2 4.42Å; F1065-L1069 HydrophobicContact CZ-CD1 3.91Å; F1065-L1069 HydrophobicContact CZ-CD2 4.21Å; F1065-L1069 HydrophobicContact CZ-CG 4.26Å; F1065-L1069 WeakPolarHBondContact O-CG 3.46Å; F1065-L1069 PolarHBondContact O-N 3.37Å; F1065-L1203 HydrophobicContact CE2-CD1 4.04Å; F1065-L1203 HydrophobicContact CZ-CD1 4.48Å; F1065-V1226 HydrophobicContact CE1-CG1 3.92Å; F1065-V1226 HydrophobicContact CZ-CG1 3.64Å; F1065-C1229 HydrophobicContact CE2-CB 3.5Å; F1065-C1229 VanDerWaalsContact CE2-CB 3.5Å; F1065-C1229 HydrophobicContact CZ-CB 3.64Å
1066S84.8Confident83.9Confident0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-64.6-42.6-176.8-54.50000111.5R1062 M1068 L1069 D1070 Q1076R1062-S1066 VanDerWaalsContact CZ-OG 3.25Å; R1062-S1066 PolarHBondContact NE-OG 2.9Å; R1062-S1066 PolarHBondContact NH2-OG 2.81Å; R1062-S1066 WeakPolarHBondContact O-CB 3.18Å; R1062-S1066 PolarHBondContact O-N 3.44Å; R1062-S1066 PolarHBondContact O-OG 2.76Å; S1066-M1068 VanDerWaalsContact C-N 3.26Å; S1066-M1068 PolarHBondContact O-N 3.21Å; S1066-L1069 PolarHBondContact O-N 3.21Å; S1066-D1070 VanDerWaalsContact O-CG 3.29Å; S1066-D1070 PolarHBondContact O-N 2.62Å; S1066-Q1076 PolarHBondContact O-NE2 3.42Å; S1066-Q1076 PolarHBondContact OG-OE1 2.92Å
1067R77.4Confident83.9Confident65 Ų6533.8 Ų33.825%0.24517%0.174CC..Hα-helixtrans-62.1-36.8175.5-174.5-179.1-175.115614.2112.1F1063 F1065 R1071 N1932 R2059F1063-R1067 VanDerWaalsContact O-CB 3.3Å; F1063-R1067 WeakPolarHBondContact O-CB 3.11Å; F1063-R1067 PolarHBondContact O-N 3.04Å; F1063-R1067 VanDerWaalsContact O-N 3.08Å; F1065-R1067 PolarHBondContact O-N 3.22Å; R1067-R1071 WeakPolarHBondContact O-CB 3.43Å; R1067-R1071 PolarHBondContact O-N 2.84Å; R1067-N1932 PolarHBondContact NH2-OD1 3.05Å; R1067-N1932 VanDerWaalsContact NH2-OD1 3.15Å; R1067-R2059 VanDerWaalsContact NH1-CZ 3.27Å
1068M83.6Confident84.1Confident7 Ų739.2 Ų39.23%0.03419%0.193CC..Hα-helixtrans-63.8-43.9176.2176.2-1647600111.5K1064 F1065 S1066 R1071 K1072 L1203 V1206 L1207K1064-M1068 VanDerWaalsContact O-CB 3.26Å; K1064-M1068 WeakPolarHBondContact O-CB 3.44Å; K1064-M1068 PolarHBondContact O-N 3.39Å; F1065-M1068 HydrophobicContact CD2-CE 3.45Å; F1065-M1068 VanDerWaalsContact CD2-CE 3.45Å; F1065-M1068 HydrophobicContact CE2-CE 3.58Å; F1065-M1068 HydrophobicContact CG-CE 4.46Å; F1065-M1068 VanDerWaalsContact O-CB 3.3Å; F1065-M1068 WeakPolarHBondContact O-CB 3.45Å; F1065-M1068 PolarHBondContact O-N 3.43Å; F1065-M1068 VanDerWaalsContact O-N 3.13Å; S1066-M1068 VanDerWaalsContact C-N 3.26Å; S1066-M1068 PolarHBondContact O-N 3.21Å; M1068-R1071 PolarHBondContact O-N 2.93Å; M1068-K1072 PolarHBondContact O-N 3.01Å; M1068-L1203 HydrophobicContact CE-CD1 3.55Å; M1068-V1206 HydrophobicContact CG-CB 4.4Å; M1068-V1206 HydrophobicContact CG-CG1 3.22Å; M1068-V1206 HydrophobicContact SD-CB 4.26Å; M1068-V1206 HydrophobicContact SD-CG1 3.48Å; M1068-V1206 WeakPolarHBondContact SD-CG1 3.27Å; M1068-L1207 HydrophobicContact CE-CD1 4.32Å; M1068-L1207 HydrophobicContact CE-CD2 3.93Å; M1068-L1207 HydrophobicContact CE-CG 3.96Å; M1068-L1207 HydrophobicContact SD-CD2 3.48Å; M1068-L1207 WeakPolarHBondContact SD-CD2 3.44Å; M1068-L1207 HydrophobicContact SD-CG 3.84Å
1069L87Confident84.2Confident1 Ų140.4 Ų40.41%0.00519%0.194CC..Hα-helixtrans-63-47.8174.9-64.4-178.9000111.8F1065 S1066 R1071 K1072 G1073 I1074 Q1076 L1203 V1226F1065-L1069 HydrophobicContact CD1-CD1 4Å; F1065-L1069 HydrophobicContact CD1-CG 4.48Å; F1065-L1069 HydrophobicContact CE1-CD1 3.54Å; F1065-L1069 HydrophobicContact CE1-CG 4.22Å; F1065-L1069 HydrophobicContact CE2-CD2 4.42Å; F1065-L1069 HydrophobicContact CZ-CD1 3.91Å; F1065-L1069 HydrophobicContact CZ-CD2 4.21Å; F1065-L1069 HydrophobicContact CZ-CG 4.26Å; F1065-L1069 WeakPolarHBondContact O-CG 3.46Å; F1065-L1069 PolarHBondContact O-N 3.37Å; S1066-L1069 PolarHBondContact O-N 3.21Å; L1069-R1071 VanDerWaalsContact C-N 3.26Å; L1069-R1071 PolarHBondContact O-N 2.74Å; L1069-K1072 CarbonylContact O-C 3.54Å; L1069-K1072 PolarHBondContact O-N 2.97Å; L1069-G1073 PolarHBondContact O-N 2.76Å; L1069-I1074 HydrophobicContact CB-CB 4.31Å; L1069-I1074 HydrophobicContact CD2-CB 4.01Å; L1069-I1074 HydrophobicContact CD2-CD1 4.01Å; L1069-I1074 HydrophobicContact CD2-CG2 3.98Å; L1069-I1074 PolarHBondContact O-N 3.26Å; L1069-Q1076 HydrophobicContact CD1-CB 3.97Å; L1069-L1203 HydrophobicContact CD2-CD1 3.65Å; L1069-V1226 HydrophobicContact CD1-CB 3.88Å; L1069-V1226 HydrophobicContact CD1-CG1 3.92Å; L1069-V1226 HydrophobicContact CD2-CB 4.49Å; L1069-V1226 HydrophobicContact CD2-CG1 4.41Å
1070D80.4Confident83.7Confident92 Ų9243.9 Ų43.949%0.49221%0.209SC..Hα-helixtrans-57.7-40.8178.6-67.6-26.8000111.4S1066 K1072 G1073 Q1076S1066-D1070 VanDerWaalsContact O-CG 3.29Å; S1066-D1070 PolarHBondContact O-N 2.62Å; D1070-K1072 VanDerWaalsContact C-N 3.28Å; D1070-K1072 PolarHBondContact O-N 3.46Å; D1070-G1073 PolarHBondContact O-N 3.09Å; D1070-Q1076 VanDerWaalsContact CG-NE2 3.28Å; D1070-Q1076 PolarHBondContact OD1-NE2 3.25Å
1071R73.8Confident82.9Confident107 Ų10745.8 Ų45.840%0.40422%0.217SC..Hα-helixtrans-62.1-33.3177.1-178.3178.866.3-176.30.3113R1067 M1068 L1069R1067-R1071 WeakPolarHBondContact O-CB 3.43Å; R1067-R1071 PolarHBondContact O-N 2.84Å; M1068-R1071 PolarHBondContact O-N 2.93Å; L1069-R1071 VanDerWaalsContact C-N 3.26Å; L1069-R1071 PolarHBondContact O-N 2.74Å
1072K78Confident82.3Confident102 Ų10246.5 Ų46.544%0.44322%0.221SC..Hα-helixtrans-90.3-9.5179.9-78.2-87.6163.7155.60113.1M1068 L1069 D1070 I1074 V1206M1068-K1072 PolarHBondContact O-N 3.01Å; L1069-K1072 CarbonylContact O-C 3.54Å; L1069-K1072 PolarHBondContact O-N 2.97Å; D1070-K1072 VanDerWaalsContact C-N 3.28Å; D1070-K1072 PolarHBondContact O-N 3.46Å; K1072-I1074 VanDerWaalsContact C-N 3.31Å; K1072-I1074 HydrophobicContact CB-CD1 4.12Å; K1072-I1074 HydrophobicContact CB-CG1 4.08Å; K1072-V1206 HydrophobicContact CD-CG2 3.47Å; K1072-V1206 VanDerWaalsContact CD-CG2 3.47Å; K1072-V1206 VanDerWaalsContact CE-CG2 3.48Å; K1072-V1206 HydrophobicContact CG-CG1 4.41Å; K1072-V1206 HydrophobicContact CG-CG2 3.5Å; K1072-V1206 VanDerWaalsContact CG-CG2 3.5Å
1073G81.4Confident81.3Confident62 Ų6250.5 Ų50.564%0.63925%0.247SC*.THydrogen-bonded Turntrans75.321.5-175.300000113L1069 D1070L1069-G1073 PolarHBondContact O-N 2.76Å; D1070-G1073 PolarHBondContact O-N 3.09Å
1074I88.2Confident80.9Confident10 Ų1053.3 Ų53.35%0.05126%0.263CS..  trans-83123.1174.6-59.9171.4000107.7L1069 K1072 I1199 D1202 V1226L1069-I1074 HydrophobicContact CB-CB 4.31Å; L1069-I1074 HydrophobicContact CD2-CB 4.01Å; L1069-I1074 HydrophobicContact CD2-CD1 4.01Å; L1069-I1074 HydrophobicContact CD2-CG2 3.98Å; L1069-I1074 PolarHBondContact O-N 3.26Å; K1072-I1074 VanDerWaalsContact C-N 3.31Å; K1072-I1074 HydrophobicContact CB-CD1 4.12Å; K1072-I1074 HydrophobicContact CB-CG1 4.08Å; I1074-I1199 HydrophobicContact CG2-CG2 3.89Å; I1074-D1202 HydrophobicContact CD1-CB 3.99Å; I1074-V1226 HydrophobicContact CG2-CB 4.32Å; I1074-V1226 HydrophobicContact CG2-CG2 3.49Å; I1074-V1226 VanDerWaalsContact CG2-CG2 3.49Å
1075L90.9Very high80.7Confident93 Ų9354.1 Ų54.149%0.48727%0.27SS..  trans-68145.1-178.7-59.6176.7000110.9K1225 V1226L1075-K1225 HydrophobicContact CB-CG 3.9Å; L1075-K1225 CarbonylContact O-C 3.51Å; L1075-K1225 VanDerWaalsContact O-CA 3.3Å; L1075-K1225 WeakPolarHBondContact O-CA 3.49Å; L1075-V1226 PolarHBondContact O-N 3.34Å
1076Q91.7Very high80.1Confident17 Ų1759.3 Ų59.38%0.07929%0.294CS..  trans-143163.4175.361-176.5-48.200109.3S1066 L1069 D1070 R1078 V1226S1066-Q1076 PolarHBondContact O-NE2 3.42Å; S1066-Q1076 PolarHBondContact OG-OE1 2.92Å; L1069-Q1076 HydrophobicContact CD1-CB 3.97Å; D1070-Q1076 VanDerWaalsContact CG-NE2 3.28Å; D1070-Q1076 PolarHBondContact OD1-NE2 3.25Å; Q1076-R1078 PolarHBondContact O-N 2.93Å; Q1076-V1226 WeakPolarHBondContact CB-O 3.34Å
1077P90.5Very high79.7Confident7 Ų760.1 Ų60.15%0.04530%0.3CS..  trans-56.6139.5170.3-23.734.9000111.2W1079 L1143 I1218 V1226P1077-W1079 PolarHBondContact O-N 3.41Å; P1077-L1143 HydrophobicContact CG-CD1 4.39Å; P1077-I1218 HydrophobicContact CG-CD1 4.49Å; P1077-V1226 VanDerWaalsContact CD-O 3.25Å; P1077-V1226 WeakPolarHBondContact CD-O 3.49Å
1078R89.1Confident79.9Confident133 Ų13357 Ų5750%0.50229%0.288SS..  trans-54.8132.3176.4-63.9-172.271.6-165.8-2.1109.1Q1076 E1094 V1095 S1140 K1141Q1076-R1078 PolarHBondContact O-N 2.93Å; R1078-E1094 IonicContact CZ-OE1 2.76Å; R1078-E1094 IonicContact NH1-OE1 3.85Å; R1078-E1094 IonicContact NH2-OE1 3.93Å; R1078-E1094 PolarHBondContact NH2-OE1 3.04Å; R1078-V1095 HydrophobicContact CB-CG1 4.08Å; R1078-S1140 CarbonylContact O-C 3.46Å; R1078-S1140 VanDerWaalsContact O-CA 3.23Å; R1078-S1140 WeakPolarHBondContact O-CA 3.15Å; R1078-K1141 HydrophobicContact CB-CB 4.34Å; R1078-K1141 PolarHBondContact O-N 2.97Å
1079W86.6Confident80Confident51 Ų5158 Ų5819%0.19329%0.293CS..EExtended strand (participates in β ladder)trans-140.9156.4-173.571.6-80.1000111.4F1063 P1077 E1081 V1138 I1139F1063-W1079 AromaticContact CD2-CH2 3.82Å; F1063-W1079 HydrophobicContact CD2-CH2 3.82Å; F1063-W1079 HydrophobicContact CD2-CZ3 4.18Å; F1063-W1079 HydrophobicContact CE2-CH2 4.19Å; F1063-W1079 HydrophobicContact CG-CH2 4.45Å; P1077-W1079 PolarHBondContact O-N 3.41Å; W1079-E1081 HydrophobicContact CZ3-CB 4.29Å; W1079-V1138 HydrophobicContact CE3-CG1 3.87Å; W1079-I1139 CarbonylContact C-O 3.58Å; W1079-I1139 WeakPolarHBondContact CA-O 3.46Å
1080K78.7Confident79.9Confident76 Ų7662.6 Ų62.633%0.3331%0.314SS..EExtended strand (participates in β ladder)trans-148.2134.3172-165.3171.1176.2-172.40109.9L1082 F1091 I1139K1080-L1082 HydrophobicContact CB-CD2 4.28Å; K1080-L1082 HydrophobicContact CB-CG 4.36Å; K1080-L1082 HydrophobicContact CD-CD2 3.77Å; K1080-L1082 HydrophobicContact CG-CD2 3.81Å; K1080-L1082 HydrophobicContact CG-CG 4.27Å; K1080-F1091 HydrophobicContact CB-CD1 4.26Å; K1080-F1091 HydrophobicContact CB-CD2 3.6Å; K1080-F1091 HydrophobicContact CB-CE1 4.4Å; K1080-F1091 HydrophobicContact CB-CE2 3.75Å; K1080-F1091 HydrophobicContact CB-CG 3.86Å; K1080-F1091 HydrophobicContact CB-CZ 4.15Å; K1080-F1091 HydrophobicContact CD-CB 4Å; K1080-F1091 HydrophobicContact CD-CD2 3.79Å; K1080-F1091 HydrophobicContact CD-CG 4.08Å; K1080-F1091 HydrophobicContact CG-CD2 4.36Å; K1080-I1139 PolarHBondContact N-O 2.94Å; K1080-I1139 PolarHBondContact O-N 2.78Å; K1080-I1139 VanDerWaalsContact O-N 3.1Å
1081E71.2Confident80.3Confident53 Ų5358.5 Ų58.525%0.24829%0.292CS..EExtended strand (participates in β ladder)trans-79.7133.7165.9-178.3-179.3-150.800108.7F1063 W1079F1063-E1081 WeakPolarHBondContact CD2-OE2 3.47Å; W1079-E1081 HydrophobicContact CZ3-CB 4.29Å
1082L68.7Low81Confident18 Ų1853.4 Ų53.49%0.09427%0.273CS..  trans-130.3132-166.7-64.9161.6000110.5K1080 S1087 A1088 I1139K1080-L1082 HydrophobicContact CB-CD2 4.28Å; K1080-L1082 HydrophobicContact CB-CG 4.36Å; K1080-L1082 HydrophobicContact CD-CD2 3.77Å; K1080-L1082 HydrophobicContact CG-CD2 3.81Å; K1080-L1082 HydrophobicContact CG-CG 4.27Å; L1082-S1087 VanDerWaalsContact CD2-C 3.44Å; L1082-S1087 VanDerWaalsContact CD2-O 3.25Å; L1082-S1087 WeakPolarHBondContact CD2-O 3.26Å; L1082-S1087 WeakPolarHBondContact CD2-OG 3.35Å; L1082-A1088 HydrophobicContact CD1-CB 3.63Å; L1082-A1088 HydrophobicContact CG-CB 4.44Å; L1082-I1139 HydrophobicContact CD1-CB 3.62Å; L1082-I1139 HydrophobicContact CD1-CD1 3.23Å; L1082-I1139 HydrophobicContact CD1-CG1 3.55Å
1083T61.1Low81.5Confident97 Ų9754.3 Ų54.360%0.59528%0.279SS*.SBendtrans-102-16.4-178560000113.1
1084N68Low81.9Confident86 Ų8656.9 Ų56.946%0.4627%0.274SS..SBendtrans-149.6156.1-179.863.572.2000111.6Q1086 S1087 A1088N1084-Q1086 VanDerWaalsContact C-N 3.3Å; N1084-Q1086 PolarHBondContact O-N 3.45Å; N1084-Q1086 PolarHBondContact OD1-N 2.94Å; N1084-S1087 PolarHBondContact O-N 3.42Å; N1084-S1087 PolarHBondContact O-OG 2.94Å; N1084-S1087 PolarHBondContact OD1-N 2.59Å; N1084-S1087 PolarHBondContact OD1-OG 3.16Å; N1084-A1088 PolarHBondContact O-N 2.89Å
1085L75.9Confident81.9Confident58 Ų5857.4 Ų57.430%0.30428%0.278SS..Hα-helixtrans-56.8-39.3-178-179.963.3000113.2S1087 A1088 I1089 E1122 L1125L1085-S1087 PolarHBondContact O-N 3.05Å; L1085-A1088 WeakPolarHBondContact O-CA 3.07Å; L1085-A1088 VanDerWaalsContact O-CB 3.25Å; L1085-A1088 WeakPolarHBondContact O-CB 3.34Å; L1085-A1088 PolarHBondContact O-N 3.05Å; L1085-A1088 VanDerWaalsContact O-N 3.08Å; L1085-I1089 HydrophobicContact CD1-CD1 4.39Å; L1085-I1089 HydrophobicContact CD1-CG1 4.48Å; L1085-I1089 HydrophobicContact CG-CD1 4.06Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.24Å; L1085-I1089 PolarHBondContact O-N 3.27Å; L1085-E1122 HydrophobicContact CD1-CB 4.05Å; L1085-E1122 HydrophobicContact CD1-CG 4.33Å; L1085-E1122 HydrophobicContact CD2-CB 4.28Å; L1085-E1122 HydrophobicContact CD2-CG 3.77Å; L1085-L1125 HydrophobicContact CD1-CD1 3.57Å
1086Q75.9Confident81.8Confident111 Ų11154.3 Ų54.352%0.51927%0.268SS..Hα-helixtrans-61.9-47.2-177.6-174.459.533.900111.7N1084 A1088 I1089 E1090N1084-Q1086 VanDerWaalsContact C-N 3.3Å; N1084-Q1086 PolarHBondContact O-N 3.45Å; N1084-Q1086 PolarHBondContact OD1-N 2.94Å; Q1086-A1088 PolarHBondContact O-N 3.24Å; Q1086-I1089 PolarHBondContact O-N 3.08Å; Q1086-E1090 WeakPolarHBondContact O-CG 3.48Å; Q1086-E1090 PolarHBondContact O-N 3.11Å
1087S75.9Confident81.6Confident17 Ų1756.3 Ų56.312%0.11928%0.276CS..Hα-helixtrans-62.4-27.1176.465.30000113.1L1082 N1084 L1085 F1091L1082-S1087 VanDerWaalsContact CD2-C 3.44Å; L1082-S1087 VanDerWaalsContact CD2-O 3.25Å; L1082-S1087 WeakPolarHBondContact CD2-O 3.26Å; L1082-S1087 WeakPolarHBondContact CD2-OG 3.35Å; N1084-S1087 PolarHBondContact O-N 3.42Å; N1084-S1087 PolarHBondContact O-OG 2.94Å; N1084-S1087 PolarHBondContact OD1-N 2.59Å; N1084-S1087 PolarHBondContact OD1-OG 3.16Å; L1085-S1087 PolarHBondContact O-N 3.05Å; S1087-F1091 WeakPolarHBondContact O-CB 3.2Å; S1087-F1091 PolarHBondContact O-N 3.02Å
1088A81.3Confident81.6Confident0 Ų056.8 Ų56.80%028%0.278CS..Hα-helixtrans-73.4-43.6177.500000111.9L1082 N1084 L1085 Q1086 F1091 C1092 L1121 L1125 I1139L1082-A1088 HydrophobicContact CD1-CB 3.63Å; L1082-A1088 HydrophobicContact CG-CB 4.44Å; N1084-A1088 PolarHBondContact O-N 2.89Å; L1085-A1088 WeakPolarHBondContact O-CA 3.07Å; L1085-A1088 VanDerWaalsContact O-CB 3.25Å; L1085-A1088 WeakPolarHBondContact O-CB 3.34Å; L1085-A1088 PolarHBondContact O-N 3.05Å; L1085-A1088 VanDerWaalsContact O-N 3.08Å; Q1086-A1088 PolarHBondContact O-N 3.24Å; A1088-F1091 PolarHBondContact O-N 3Å; A1088-C1092 PolarHBondContact O-N 3.42Å; A1088-C1092 PolarHBondContact O-SG 3.27Å; A1088-L1121 HydrophobicContact CB-CD2 3.92Å; A1088-L1125 HydrophobicContact CB-CD1 3.8Å; A1088-I1139 HydrophobicContact CB-CD1 3.68Å
1089I85.7Confident81.7Confident28 Ų2850.4 Ų50.414%0.14425%0.254CS..Hα-helixtrans-60.8-50.8174.7-67.6167.9000109.6L1085 Q1086 F1091 C1092 E1093 N1118 L1121L1085-I1089 HydrophobicContact CD1-CD1 4.39Å; L1085-I1089 HydrophobicContact CD1-CG1 4.48Å; L1085-I1089 HydrophobicContact CG-CD1 4.06Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.24Å; L1085-I1089 PolarHBondContact O-N 3.27Å; Q1086-I1089 PolarHBondContact O-N 3.08Å; I1089-F1091 VanDerWaalsContact C-N 3.29Å; I1089-F1091 PolarHBondContact O-N 3.25Å; I1089-C1092 PolarHBondContact O-N 3.18Å; I1089-E1093 HydrophobicContact CG2-CG 4.3Å; I1089-E1093 WeakPolarHBondContact CG2-OE1 3.33Å; I1089-E1093 WeakPolarHBondContact O-CG 3.44Å; I1089-E1093 PolarHBondContact O-N 2.98Å; I1089-N1118 WeakPolarHBondContact CG2-ND2 3.43Å; I1089-L1121 HydrophobicContact CG1-CD2 4.05Å
1090E85.5Confident81.7Confident97 Ų9748.8 Ų48.845%0.45325%0.249SC..Hα-helixtrans-55.3-43.5178.6-72.6169.2-169.900112.3Q1086 E1094Q1086-E1090 WeakPolarHBondContact O-CG 3.48Å; Q1086-E1090 PolarHBondContact O-N 3.11Å; E1090-E1094 WeakPolarHBondContact O-CB 3.43Å; E1090-E1094 PolarHBondContact O-N 3.22Å
1091F87.3Confident81.9Confident6 Ų645.1 Ų45.13%0.02623%0.234CC..Hα-helixtrans-64.9-44.7176.6176.3-105.9000112.2K1080 S1087 A1088 I1089 E1093 E1094 V1095 I1139K1080-F1091 HydrophobicContact CB-CD1 4.26Å; K1080-F1091 HydrophobicContact CB-CD2 3.6Å; K1080-F1091 HydrophobicContact CB-CE1 4.4Å; K1080-F1091 HydrophobicContact CB-CE2 3.75Å; K1080-F1091 HydrophobicContact CB-CG 3.86Å; K1080-F1091 HydrophobicContact CB-CZ 4.15Å; K1080-F1091 HydrophobicContact CD-CB 4Å; K1080-F1091 HydrophobicContact CD-CD2 3.79Å; K1080-F1091 HydrophobicContact CD-CG 4.08Å; K1080-F1091 HydrophobicContact CG-CD2 4.36Å; S1087-F1091 WeakPolarHBondContact O-CB 3.2Å; S1087-F1091 PolarHBondContact O-N 3.02Å; A1088-F1091 PolarHBondContact O-N 3Å; I1089-F1091 VanDerWaalsContact C-N 3.29Å; I1089-F1091 PolarHBondContact O-N 3.25Å; F1091-E1093 VanDerWaalsContact C-N 3.32Å; F1091-E1093 PolarHBondContact O-N 3.46Å; F1091-E1094 WeakPolarHBondContact O-CB 3.33Å; F1091-E1094 PolarHBondContact O-N 2.67Å; F1091-V1095 HydrophobicContact CD1-CG2 4.41Å; F1091-V1095 HydrophobicContact CD2-CG1 4.09Å; F1091-V1095 HydrophobicContact CE1-CG1 4.33Å; F1091-V1095 HydrophobicContact CE1-CG2 4.04Å; F1091-V1095 HydrophobicContact CE2-CG1 3.55Å; F1091-V1095 HydrophobicContact CZ-CG1 3.69Å; F1091-V1095 HydrophobicContact CZ-CG2 4.19Å; F1091-V1095 WeakPolarHBondContact O-CG2 3.5Å; F1091-V1095 PolarHBondContact O-N 3.24Å; F1091-I1139 HydrophobicContact CD1-CB 4.21Å; F1091-I1139 HydrophobicContact CD1-CG2 3.93Å; F1091-I1139 HydrophobicContact CE1-CB 4.27Å; F1091-I1139 HydrophobicContact CE1-CG2 3.94Å; F1091-I1139 WeakPolarHBondContact CE1-O 3.5Å
1092C88.8Confident82.3Confident0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-66.8-33.9179.9-65.60000112.5A1088 I1089 G1096 Y1097 L1121A1088-C1092 PolarHBondContact O-N 3.42Å; A1088-C1092 PolarHBondContact O-SG 3.27Å; I1089-C1092 PolarHBondContact O-N 3.18Å; C1092-G1096 CarbonylContact O-C 3.57Å; C1092-G1096 VanDerWaalsContact O-C 3.3Å; C1092-G1096 WeakPolarHBondContact O-CA 3.48Å; C1092-G1096 PolarHBondContact O-N 3.01Å; C1092-Y1097 HydrophobicContact CB-CE1 3.91Å; C1092-Y1097 HydrophobicContact CB-CE2 3.86Å; C1092-Y1097 VanDerWaalsContact CB-CZ 3.46Å; C1092-Y1097 WeakPolarHBondContact CB-OH 3.3Å; C1092-L1121 HydrophobicContact CB-CD2 4.31Å
1093E89.1Confident82.5Confident121 Ų12143.1 Ų43.157%0.56522%0.224SC*.Hα-helixtrans-67.8-39.9171.8-71.617917600111.4I1089 F1091 N1118I1089-E1093 HydrophobicContact CG2-CG 4.3Å; I1089-E1093 WeakPolarHBondContact CG2-OE1 3.33Å; I1089-E1093 WeakPolarHBondContact O-CG 3.44Å; I1089-E1093 PolarHBondContact O-N 2.98Å; F1091-E1093 VanDerWaalsContact C-N 3.32Å; F1091-E1093 PolarHBondContact O-N 3.46Å; E1093-N1118 PolarHBondContact OE1-ND2 2.86Å; E1093-N1118 VanDerWaalsContact OE1-ND2 3.15Å
1094E89.4Confident83Confident116 Ų11638.7 Ų38.754%0.54220%0.197SC..Hα-helixtrans-66.2-45.6177.8-169.4-161.4153.500113.1R1078 E1090 F1091R1078-E1094 IonicContact CZ-OE1 2.76Å; R1078-E1094 IonicContact NH1-OE1 3.85Å; R1078-E1094 IonicContact NH2-OE1 3.93Å; R1078-E1094 PolarHBondContact NH2-OE1 3.04Å; E1090-E1094 WeakPolarHBondContact O-CB 3.43Å; E1090-E1094 PolarHBondContact O-N 3.22Å; F1091-E1094 WeakPolarHBondContact O-CB 3.33Å; F1091-E1094 PolarHBondContact O-N 2.67Å
1095V89.4Confident83.3Confident21 Ų2135.9 Ų35.913%0.12718%0.18CC..Hα-helixtrans-87.5-13-179.7-55.70000113.4R1078 F1091 K1141R1078-V1095 HydrophobicContact CB-CG1 4.08Å; F1091-V1095 HydrophobicContact CD1-CG2 4.41Å; F1091-V1095 HydrophobicContact CD2-CG1 4.09Å; F1091-V1095 HydrophobicContact CE1-CG1 4.33Å; F1091-V1095 HydrophobicContact CE1-CG2 4.04Å; F1091-V1095 HydrophobicContact CE2-CG1 3.55Å; F1091-V1095 HydrophobicContact CZ-CG1 3.69Å; F1091-V1095 HydrophobicContact CZ-CG2 4.19Å; F1091-V1095 WeakPolarHBondContact O-CG2 3.5Å; F1091-V1095 PolarHBondContact O-N 3.24Å; V1095-K1141 HydrophobicContact CB-CB 4.26Å; V1095-K1141 HydrophobicContact CB-CD 4.17Å; V1095-K1141 HydrophobicContact CB-CG 4.49Å; V1095-K1141 HydrophobicContact CG2-CB 4.14Å; V1095-K1141 HydrophobicContact CG2-CD 3.98Å; V1095-K1141 WeakPolarHBondContact O-CD 3.46Å; V1095-K1141 WeakPolarHBondContact O-CE 3.08Å
1096G88.8Confident82.8Confident28 Ų2834.2 Ų34.229%0.28917%0.172SC..  trans72.7152.8-172.600000113.5C1092 C1099 K1141C1092-G1096 CarbonylContact O-C 3.57Å; C1092-G1096 VanDerWaalsContact O-C 3.3Å; C1092-G1096 WeakPolarHBondContact O-CA 3.48Å; C1092-G1096 PolarHBondContact O-N 3.01Å; G1096-C1099 PolarHBondContact O-SG 2.8Å; G1096-K1141 WeakPolarHBondContact O-CD 3.25Å; G1096-K1141 PolarHBondContact O-NZ 2.88Å
1097Y87.8Confident82.2Confident59 Ų5931.8 Ų31.823%0.23116%0.163CC..SBendtrans-75158.2172.5-76.8-77.2000113.1C1092 C1099 A1115 Y1116 S1117 N1118 K1141C1092-Y1097 HydrophobicContact CB-CE1 3.91Å; C1092-Y1097 HydrophobicContact CB-CE2 3.86Å; C1092-Y1097 VanDerWaalsContact CB-CZ 3.46Å; C1092-Y1097 WeakPolarHBondContact CB-OH 3.3Å; Y1097-C1099 HydrophobicContact CD1-CB 4.37Å; Y1097-C1099 HydrophobicContact CE1-CB 4.4Å; Y1097-A1115 VanDerWaalsContact CD1-O 3.3Å; Y1097-A1115 WeakPolarHBondContact CD1-O 3.45Å; Y1097-A1115 HydrophobicContact CE1-CB 4.01Å; Y1097-Y1116 WeakPolarHBondContact CB-O 3.42Å; Y1097-Y1116 VanDerWaalsContact CD1-C 3.4Å; Y1097-S1117 WeakPolarHBondContact CE1-O 3.24Å; Y1097-S1117 PolarHBondContact OH-O 3.47Å; Y1097-N1118 WeakPolarHBondContact CE2-OD1 3.41Å; Y1097-N1118 VanDerWaalsContact OH-CA 3.32Å; Y1097-N1118 WeakPolarHBondContact OH-CA 3.42Å; Y1097-N1118 PolarHBondContact OH-N 3.15Å; Y1097-N1118 PolarHBondContact OH-OD1 3.19Å; Y1097-K1141 VanDerWaalsContact C-NZ 3.25Å; Y1097-K1141 PolarHBondContact O-NZ 2.82Å
1098P89.9Confident81.6Confident16 Ų1632.8 Ų32.810%0.10417%0.169CC..  cis-72.6158.9-7.229.8-34.5000113.4V1114 A1115 Y1116 K1141 F1142 T1144P1098-V1114 HydrophobicContact CB-CG1 3.74Å; P1098-A1115 CarbonylContact C-O 3.55Å; P1098-A1115 VanDerWaalsContact CA-O 3.24Å; P1098-A1115 WeakPolarHBondContact CA-O 3.2Å; P1098-A1115 WeakPolarHBondContact CB-O 3.35Å; P1098-Y1116 HydrophobicContact CB-CD1 3.82Å; P1098-Y1116 HydrophobicContact CB-CE1 3.89Å; P1098-Y1116 HydrophobicContact CB-CG 4.35Å; P1098-Y1116 HydrophobicContact CG-CD1 4.44Å; P1098-Y1116 HydrophobicContact CG-CE1 4.23Å; P1098-K1141 PolarHBondContact O-NZ 3.15Å; P1098-K1141 VanDerWaalsContact O-NZ 3.11Å; P1098-F1142 HydrophobicContact CB-CB 4.26Å; P1098-F1142 HydrophobicContact CB-CD1 4.4Å; P1098-F1142 HydrophobicContact CG-CB 4.13Å; P1098-F1142 HydrophobicContact CG-CD1 3.72Å; P1098-F1142 HydrophobicContact CG-CG 4.29Å; P1098-F1142 WeakPolarHBondContact O-CB 3.5Å; P1098-F1142 PolarHBondContact O-N 2.78Å; P1098-T1144 HydrophobicContact CG-CG2 3.73Å
1099C90.1Very high80.4Confident0 Ų033.1 Ų33.10%017%0.173CC..EExtended strand (participates in β ladder)trans-128.5141.9177.9-68.80000110.4G1096 Y1097 V1114 A1115 I1139G1096-C1099 PolarHBondContact O-SG 2.8Å; Y1097-C1099 HydrophobicContact CD1-CB 4.37Å; Y1097-C1099 HydrophobicContact CE1-CB 4.4Å; C1099-V1114 CarbonylContact O-C 3.59Å; C1099-V1114 WeakPolarHBondContact O-CA 3.19Å; C1099-A1115 PolarHBondContact N-O 2.95Å; C1099-A1115 PolarHBondContact O-N 3.28Å; C1099-I1139 HydrophobicContact CB-CG2 3.95Å
1100L87.3Confident79.4Confident16 Ų1633.6 Ų33.68%0.08418%0.181CC..EExtended strand (participates in β ladder)trans-95.9118.2178.9-179.966.6000110M1112 V1114 I1139 S1140 F1142 V1294L1100-M1112 HydrophobicContact CD1-CB 4.49Å; L1100-M1112 HydrophobicContact CD1-CE 3.92Å; L1100-M1112 HydrophobicContact CD2-CE 3.69Å; L1100-M1112 HydrophobicContact CG-CE 4.15Å; L1100-V1114 HydrophobicContact CD1-CG2 4.02Å; L1100-I1139 WeakPolarHBondContact O-CA 3.48Å; L1100-S1140 PolarHBondContact N-O 2.68Å; L1100-S1140 PolarHBondContact O-N 3.08Å; L1100-F1142 HydrophobicContact CB-CB 4.41Å; L1100-F1142 HydrophobicContact CB-CD2 4.34Å; L1100-V1294 HydrophobicContact CD1-CG1 4.04Å; L1100-V1294 HydrophobicContact CD1-CG2 4.28Å
1101V82.3Confident78.4Confident0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-92.2122.4171.2-173.40000107.5M1112 N1113 A1115 L1121 L1125 V1137 I1139V1101-M1112 CarbonylContact O-C 3.52Å; V1101-M1112 WeakPolarHBondContact O-CA 3.17Å; V1101-N1113 PolarHBondContact N-O 2.7Å; V1101-N1113 PolarHBondContact O-N 3.07Å; V1101-A1115 HydrophobicContact CG2-CB 4.31Å; V1101-L1121 HydrophobicContact CG2-CD1 3.71Å; V1101-L1125 HydrophobicContact CG1-CD2 4.21Å; V1101-V1137 HydrophobicContact CG1-CG1 3.33Å; V1101-I1139 HydrophobicContact CG2-CD1 4.46Å; V1101-I1139 HydrophobicContact CG2-CG1 4.34Å
1102R79.3Confident77.9Confident16 Ų1631.4 Ų31.46%0.0618%0.176CC..EExtended strand (participates in β ladder)trans-145.3157.5-179.958.6172.8164-178.9-9.5112.9R1062 M1112 V1137 V1138 S1140R1062-R1102 VanDerWaalsContact NE-NH2 3.17Å; R1102-M1112 HydrophobicContact CB-CB 4.48Å; R1102-M1112 HydrophobicContact CB-CE 4.15Å; R1102-M1112 HydrophobicContact CB-CG 3.7Å; R1102-M1112 HydrophobicContact CB-SD 4.26Å; R1102-V1137 WeakPolarHBondContact O-CG1 3.47Å; R1102-V1138 PolarHBondContact N-O 3.38Å; R1102-V1138 PolarHBondContact O-N 3.43Å; R1102-S1140 PolarHBondContact NH2-OG 3.34Å
1103P73.3Confident77.4Confident12 Ų1233.9 Ų33.98%0.07819%0.189CC..EExtended strand (participates in β ladder)trans-59.8156.2170.6-21.633.8000112.3Y1105 L1107 A1111P1103-Y1105 VanDerWaalsContact C-N 3.26Å; P1103-Y1105 PolarHBondContact O-N 3.03Å; P1103-L1107 HydrophobicContact CB-CD1 4Å; P1103-L1107 HydrophobicContact CG-CD1 3.98Å; P1103-A1111 HydrophobicContact CG-CB 3.92Å
1104S72Confident77.2Confident4 Ų428.7 Ų28.73%0.02817%0.165CC..SBendtrans-72.5-16174.342.90000113.9R1062 P1136R1062-S1104 WeakPolarHBondContact CB-O 3.49Å; R1062-S1104 PolarHBondContact N-O 2.66Å; S1104-P1136 WeakPolarHBondContact CB-O 3.38Å; S1104-P1136 PolarHBondContact N-O 2.9Å; S1104-P1136 VanDerWaalsContact N-O 3.12Å; S1104-P1136 WeakPolarHBondContact OG-CD 3.13Å; S1104-P1136 PolarHBondContact OG-O 3.06Å
1105Y75.1Confident77.1Confident27 Ų2723.1 Ų23.111%0.10614%0.139CC..BIsolated β-bridgetrans-110.5151.1173.6-86.9-105.6000110.7D1057 E1060 N1061 P1103 L1107 H1135 R2173D1057-Y1105 WeakPolarHBondContact OD1-CE1 3.38Å; D1057-Y1105 PolarHBondContact OD1-OH 3.33Å; E1060-Y1105 HydrophobicContact CB-CD1 4.16Å; E1060-Y1105 WeakPolarHBondContact O-CA 3.2Å; N1061-Y1105 HydrophobicContact CB-CE1 4Å; N1061-Y1105 HydrophobicContact CB-CE2 3.84Å; N1061-Y1105 VanDerWaalsContact ND2-CE2 3.34Å; N1061-Y1105 WeakPolarHBondContact ND2-CE2 3.42Å; N1061-Y1105 PolarHBondContact ND2-OH 2.86Å; P1103-Y1105 VanDerWaalsContact C-N 3.26Å; P1103-Y1105 PolarHBondContact O-N 3.03Å; Y1105-L1107 PolarHBondContact O-N 2.98Å; Y1105-H1135 AromaticContact CD2-ND1 3.85Å; Y1105-R2173 VanDerWaalsContact CE2-CZ 3.42Å; Y1105-R2173 PolarHBondContact OH-NH2 2.97Å
1106V65.3Low76.8Confident23 Ų2325.9 Ų25.914%0.13915%0.148CC..  trans-68.6114.8173.2176.90000109.5E1060E1060-V1106 HydrophobicContact CB-CB 4.45Å; E1060-V1106 HydrophobicContact CG-CB 4.44Å; E1060-V1106 PolarHBondContact O-N 3.48Å; E1060-V1106 VanDerWaalsContact O-N 3.12Å
1107L62.1Low76.7Confident61 Ų6126.6 Ų26.632%0.31915%0.148SC..  trans-119.633.8178.9-64176.9000112P1103 Y1105 G1109 A1110P1103-L1107 HydrophobicContact CB-CD1 4Å; P1103-L1107 HydrophobicContact CG-CD1 3.98Å; Y1105-L1107 PolarHBondContact O-N 2.98Å; L1107-G1109 VanDerWaalsContact C-N 3.3Å; L1107-G1109 PolarHBondContact O-N 3.11Å; L1107-A1110 HydrophobicContact CB-CB 4.26Å; L1107-A1110 WeakPolarHBondContact O-CB 3.33Å; L1107-A1110 PolarHBondContact O-N 3.06Å; L1107-A1110 VanDerWaalsContact O-N 3.13Å
1108S63.3Low76.5Confident37 Ų3726.5 Ų26.526%0.25915%0.152SC..THydrogen-bonded Turntrans53.541.9180-49.80000113.8A1110S1108-A1110 VanDerWaalsContact C-N 3.32Å; S1108-A1110 PolarHBondContact O-N 2.79Å
1109G56.4Low76Confident8 Ų832.7 Ų32.78%0.08218%0.179CC..THydrogen-bonded Turntrans85.7-13.8-179.900000116L1107 M1112L1107-G1109 VanDerWaalsContact C-N 3.3Å; L1107-G1109 PolarHBondContact O-N 3.11Å; G1109-M1112 WeakPolarHBondContact O-CB 3.45Å; G1109-M1112 WeakPolarHBondContact O-CG 3.27Å; G1109-M1112 PolarHBondContact O-N 2.8Å
1110A65.7Low75.4Confident38 Ų3833.9 Ų33.931%0.31419%0.186SC..THydrogen-bonded Turntrans-62.1144.3-178.200000112.2L1107 S1108 M1112L1107-A1110 HydrophobicContact CB-CB 4.26Å; L1107-A1110 WeakPolarHBondContact O-CB 3.33Å; L1107-A1110 PolarHBondContact O-N 3.06Å; L1107-A1110 VanDerWaalsContact O-N 3.13Å; S1108-A1110 VanDerWaalsContact C-N 3.32Å; S1108-A1110 PolarHBondContact O-N 2.79Å; A1110-M1112 PolarHBondContact O-N 3.21Å
1111A64.5Low75.2Confident24 Ų2433.1 Ų33.120%0.19818%0.182CC..THydrogen-bonded Turntrans60.517.2-178.700000115.7P1103 V1131P1103-A1111 HydrophobicContact CG-CB 3.92Å; A1111-V1131 HydrophobicContact CB-CG1 4.09Å
1112M76.5Confident75.1Confident33 Ų3337.5 Ų37.516%0.16320%0.202CC..  trans-88.4132.2174.5-63.3-177.654.100111.7L1100 V1101 R1102 G1109 A1110 V1294L1100-M1112 HydrophobicContact CD1-CB 4.49Å; L1100-M1112 HydrophobicContact CD1-CE 3.92Å; L1100-M1112 HydrophobicContact CD2-CE 3.69Å; L1100-M1112 HydrophobicContact CG-CE 4.15Å; V1101-M1112 CarbonylContact O-C 3.52Å; V1101-M1112 WeakPolarHBondContact O-CA 3.17Å; R1102-M1112 HydrophobicContact CB-CB 4.48Å; R1102-M1112 HydrophobicContact CB-CE 4.15Å; R1102-M1112 HydrophobicContact CB-CG 3.7Å; R1102-M1112 HydrophobicContact CB-SD 4.26Å; G1109-M1112 WeakPolarHBondContact O-CB 3.45Å; G1109-M1112 WeakPolarHBondContact O-CG 3.27Å; G1109-M1112 PolarHBondContact O-N 2.8Å; A1110-M1112 PolarHBondContact O-N 3.21Å; M1112-V1294 HydrophobicContact CB-CB 4.31Å; M1112-V1294 HydrophobicContact CB-CG2 3.64Å; M1112-V1294 HydrophobicContact CE-CB 4.28Å
1113N78.9Confident74.8Confident52 Ų5240.2 Ų40.228%0.27822%0.221SC..EExtended strand (participates in β ladder)trans-136.2140.5-179.7-76.7-80.2000111.9V1101 Y1124V1101-N1113 PolarHBondContact N-O 2.7Å; V1101-N1113 PolarHBondContact O-N 3.07Å; N1113-Y1124 HydrophobicContact CB-CD1 3.89Å; N1113-Y1124 HydrophobicContact CB-CD2 3.7Å; N1113-Y1124 HydrophobicContact CB-CE1 4.29Å; N1113-Y1124 HydrophobicContact CB-CE2 4.09Å; N1113-Y1124 HydrophobicContact CB-CG 3.6Å
1114V84.6Confident75Confident11 Ų1140.7 Ų40.77%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-96.9109.1174.3-174.70000109P1098 C1099 L1100 Y1116 Y1124 F1142 V1294 R1418P1098-V1114 HydrophobicContact CB-CG1 3.74Å; C1099-V1114 CarbonylContact O-C 3.59Å; C1099-V1114 WeakPolarHBondContact O-CA 3.19Å; L1100-V1114 HydrophobicContact CD1-CG2 4.02Å; V1114-Y1116 HydrophobicContact CB-CE2 4.01Å; V1114-Y1116 HydrophobicContact CG1-CD2 4.34Å; V1114-Y1116 HydrophobicContact CG1-CE1 4.46Å; V1114-Y1116 HydrophobicContact CG1-CE2 3.69Å; V1114-Y1116 WeakPolarHBondContact O-CD2 3.31Å; V1114-Y1116 WeakPolarHBondContact O-CE2 3.02Å; V1114-Y1124 WeakPolarHBondContact O-CE2 3.35Å; V1114-F1142 HydrophobicContact CG1-CB 4.43Å; V1114-F1142 HydrophobicContact CG1-CD1 4.41Å; V1114-F1142 HydrophobicContact CG1-CD2 4.08Å; V1114-F1142 HydrophobicContact CG1-CE2 4.42Å; V1114-F1142 HydrophobicContact CG1-CG 4.05Å; V1114-F1142 HydrophobicContact CG2-CD2 3.78Å; V1114-F1142 HydrophobicContact CG2-CE2 3.68Å; V1114-F1142 HydrophobicContact CG2-CZ 4.39Å; V1114-V1294 HydrophobicContact CG2-CG1 4.17Å; V1114-V1294 HydrophobicContact CG2-CG2 4.49Å; V1114-R1418 PolarHBondContact O-NH1 2.86Å
1115A85.9Confident75.1Confident0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-80.3132.9173.100000110.4Y1097 P1098 C1099 V1101 D1120 L1121 Y1124Y1097-A1115 VanDerWaalsContact CD1-O 3.3Å; Y1097-A1115 WeakPolarHBondContact CD1-O 3.45Å; Y1097-A1115 HydrophobicContact CE1-CB 4.01Å; P1098-A1115 CarbonylContact C-O 3.55Å; P1098-A1115 VanDerWaalsContact CA-O 3.24Å; P1098-A1115 WeakPolarHBondContact CA-O 3.2Å; P1098-A1115 WeakPolarHBondContact CB-O 3.35Å; C1099-A1115 PolarHBondContact N-O 2.95Å; C1099-A1115 PolarHBondContact O-N 3.28Å; V1101-A1115 HydrophobicContact CG2-CB 4.31Å; A1115-D1120 HydrophobicContact CB-CB 4.09Å; A1115-L1121 HydrophobicContact CB-CB 4.14Å; A1115-L1121 HydrophobicContact CB-CD1 4.09Å; A1115-Y1124 HydrophobicContact CB-CD2 4.11Å; A1115-Y1124 HydrophobicContact CB-CE2 4.4Å
1116Y84.3Confident74.7Confident79 Ų7945.2 Ų45.231%0.3125%0.247SC..  trans-109.6-10.1176.2-66.9-95.2000112.5Y1097 P1098 V1114 D1120 S1413 R1418Y1097-Y1116 WeakPolarHBondContact CB-O 3.42Å; Y1097-Y1116 VanDerWaalsContact CD1-C 3.4Å; P1098-Y1116 HydrophobicContact CB-CD1 3.82Å; P1098-Y1116 HydrophobicContact CB-CE1 3.89Å; P1098-Y1116 HydrophobicContact CB-CG 4.35Å; P1098-Y1116 HydrophobicContact CG-CD1 4.44Å; P1098-Y1116 HydrophobicContact CG-CE1 4.23Å; V1114-Y1116 HydrophobicContact CB-CE2 4.01Å; V1114-Y1116 HydrophobicContact CG1-CD2 4.34Å; V1114-Y1116 HydrophobicContact CG1-CE1 4.46Å; V1114-Y1116 HydrophobicContact CG1-CE2 3.69Å; V1114-Y1116 WeakPolarHBondContact O-CD2 3.31Å; V1114-Y1116 WeakPolarHBondContact O-CE2 3.02Å; Y1116-D1120 WeakPolarHBondContact CA-OD2 3.3Å; Y1116-D1120 WeakPolarHBondContact CB-OD2 3.25Å; Y1116-D1120 PolarHBondContact N-OD2 3.33Å; Y1116-S1413 WeakPolarHBondContact CE1-O 3.48Å; Y1116-R1418 VanDerWaalsContact CE2-NH1 3.35Å
1117S85.3Confident74.6Confident42 Ų4246.1 Ų46.129%0.29426%0.257SS..SBendtrans-150.5166.7-178.9650000111.6Y1097 Q1119 D1120 L1121Y1097-S1117 WeakPolarHBondContact CE1-O 3.24Å; Y1097-S1117 PolarHBondContact OH-O 3.47Å; S1117-Q1119 PolarHBondContact O-N 3.05Å; S1117-D1120 PolarHBondContact N-OD2 3.09Å; S1117-D1120 VanDerWaalsContact N-OD2 3.1Å; S1117-D1120 PolarHBondContact O-N 3.15Å; S1117-D1120 PolarHBondContact OG-N 3.26Å; S1117-D1120 PolarHBondContact OG-OD2 3.49Å; S1117-L1121 PolarHBondContact O-N 2.86Å
1118N84.9Confident74.4Confident57 Ų5743.6 Ų43.631%0.30525%0.245SC..Hα-helixtrans-58-33.5173.5-69.9-1.3000111.8I1089 E1093 Y1097 L1121 E1122I1089-N1118 WeakPolarHBondContact CG2-ND2 3.43Å; E1093-N1118 PolarHBondContact OE1-ND2 2.86Å; E1093-N1118 VanDerWaalsContact OE1-ND2 3.15Å; Y1097-N1118 WeakPolarHBondContact CE2-OD1 3.41Å; Y1097-N1118 VanDerWaalsContact OH-CA 3.32Å; Y1097-N1118 WeakPolarHBondContact OH-CA 3.42Å; Y1097-N1118 PolarHBondContact OH-N 3.15Å; Y1097-N1118 PolarHBondContact OH-OD1 3.19Å; N1118-L1121 WeakPolarHBondContact O-CB 3.28Å; N1118-L1121 PolarHBondContact O-N 2.9Å; N1118-E1122 PolarHBondContact O-N 2.67Å; N1118-E1122 VanDerWaalsContact O-N 3.07Å
1119Q79.1Confident74.2Confident146 Ų14644.8 Ų44.868%0.68225%0.253SS*.Hα-helixtrans-74.2-39.4-179.9-170.5170.520.300112.6S1117 L1121 E1122 T1123S1117-Q1119 PolarHBondContact O-N 3.05Å; Q1119-L1121 VanDerWaalsContact C-N 3.28Å; Q1119-L1121 PolarHBondContact O-N 3.26Å; Q1119-E1122 PolarHBondContact O-N 2.99Å; Q1119-T1123 PolarHBondContact O-N 2.87Å; Q1119-T1123 VanDerWaalsContact O-N 3.07Å; Q1119-T1123 PolarHBondContact O-OG1 2.74Å
1120D78.1Confident74Confident26 Ų2651.7 Ų51.714%0.13928%0.283CS..Hα-helixtrans-60.2-44.1171.5-63.1-34.5000110.1A1115 Y1116 S1117 E1122 T1123 Y1124A1115-D1120 HydrophobicContact CB-CB 4.09Å; Y1116-D1120 WeakPolarHBondContact CA-OD2 3.3Å; Y1116-D1120 WeakPolarHBondContact CB-OD2 3.25Å; Y1116-D1120 PolarHBondContact N-OD2 3.33Å; S1117-D1120 PolarHBondContact N-OD2 3.09Å; S1117-D1120 VanDerWaalsContact N-OD2 3.1Å; S1117-D1120 PolarHBondContact O-N 3.15Å; S1117-D1120 PolarHBondContact OG-N 3.26Å; S1117-D1120 PolarHBondContact OG-OD2 3.49Å; D1120-E1122 PolarHBondContact O-N 3.42Å; D1120-T1123 PolarHBondContact O-N 3.34Å; D1120-Y1124 HydrophobicContact CB-CD2 4.09Å; D1120-Y1124 HydrophobicContact CB-CE2 3.69Å; D1120-Y1124 WeakPolarHBondContact O-CB 3.2Å; D1120-Y1124 WeakPolarHBondContact O-CD2 3.09Å; D1120-Y1124 PolarHBondContact O-N 2.73Å
1121L82.1Confident73.2Confident0 Ų055.1 Ų55.10%030%0.3CS..Hα-helixtrans-57.9-48.6179.3-172.968.1000111.8A1088 I1089 C1092 V1101 A1115 S1117 N1118 Q1119 Y1124 L1125 I1139A1088-L1121 HydrophobicContact CB-CD2 3.92Å; I1089-L1121 HydrophobicContact CG1-CD2 4.05Å; C1092-L1121 HydrophobicContact CB-CD2 4.31Å; V1101-L1121 HydrophobicContact CG2-CD1 3.71Å; A1115-L1121 HydrophobicContact CB-CB 4.14Å; A1115-L1121 HydrophobicContact CB-CD1 4.09Å; S1117-L1121 PolarHBondContact O-N 2.86Å; N1118-L1121 WeakPolarHBondContact O-CB 3.28Å; N1118-L1121 PolarHBondContact O-N 2.9Å; Q1119-L1121 VanDerWaalsContact C-N 3.28Å; Q1119-L1121 PolarHBondContact O-N 3.26Å; L1121-Y1124 PolarHBondContact O-N 2.66Å; L1121-L1125 HydrophobicContact CD1-CD1 4.22Å; L1121-L1125 HydrophobicContact CG-CD1 3.9Å; L1121-L1125 VanDerWaalsContact O-CB 3.32Å; L1121-L1125 WeakPolarHBondContact O-CB 3.49Å; L1121-L1125 VanDerWaalsContact O-CG 3.25Å; L1121-L1125 WeakPolarHBondContact O-CG 3.12Å; L1121-L1125 PolarHBondContact O-N 2.83Å; L1121-I1139 HydrophobicContact CD1-CD1 3.59Å
1122E79.7Confident72.3Confident91 Ų9155 Ų5543%0.42530%0.297SS..Hα-helixtrans-60.9-45.1176.9-176.9173.2-160.800111.9L1085 N1118 Q1119 D1120 Y1124 L1125 N1126L1085-E1122 HydrophobicContact CD1-CB 4.05Å; L1085-E1122 HydrophobicContact CD1-CG 4.33Å; L1085-E1122 HydrophobicContact CD2-CB 4.28Å; L1085-E1122 HydrophobicContact CD2-CG 3.77Å; N1118-E1122 PolarHBondContact O-N 2.67Å; N1118-E1122 VanDerWaalsContact O-N 3.07Å; Q1119-E1122 PolarHBondContact O-N 2.99Å; D1120-E1122 PolarHBondContact O-N 3.42Å; E1122-Y1124 PolarHBondContact O-N 2.81Å; E1122-L1125 PolarHBondContact O-N 3.37Å; E1122-N1126 VanDerWaalsContact O-CG 3.29Å; E1122-N1126 PolarHBondContact O-N 2.85Å; E1122-N1126 PolarHBondContact O-ND2 2.97Å
1123T74.7Confident71Confident74 Ų7464.1 Ų64.145%0.45433%0.33SS..Hα-helixtrans-61.6-47.2178.6-53.70000111.5Q1119 D1120 N1126 A1127Q1119-T1123 PolarHBondContact O-N 2.87Å; Q1119-T1123 VanDerWaalsContact O-N 3.07Å; Q1119-T1123 PolarHBondContact O-OG1 2.74Å; D1120-T1123 PolarHBondContact O-N 3.34Å; T1123-N1126 PolarHBondContact O-N 3.27Å; T1123-A1127 PolarHBondContact O-N 3.05Å; T1123-A1127 VanDerWaalsContact O-N 3.08Å
1124Y76.1Confident69.6Low22 Ų2266.2 Ų66.29%0.08634%0.338CS..Hα-helixtrans-72-34-178.4-61.5-37.2000112.9N1113 V1114 A1115 D1120 L1121 E1122 A1127 A1128 R1418N1113-Y1124 HydrophobicContact CB-CD1 3.89Å; N1113-Y1124 HydrophobicContact CB-CD2 3.7Å; N1113-Y1124 HydrophobicContact CB-CE1 4.29Å; N1113-Y1124 HydrophobicContact CB-CE2 4.09Å; N1113-Y1124 HydrophobicContact CB-CG 3.6Å; V1114-Y1124 WeakPolarHBondContact O-CE2 3.35Å; A1115-Y1124 HydrophobicContact CB-CD2 4.11Å; A1115-Y1124 HydrophobicContact CB-CE2 4.4Å; D1120-Y1124 HydrophobicContact CB-CD2 4.09Å; D1120-Y1124 HydrophobicContact CB-CE2 3.69Å; D1120-Y1124 WeakPolarHBondContact O-CB 3.2Å; D1120-Y1124 WeakPolarHBondContact O-CD2 3.09Å; D1120-Y1124 PolarHBondContact O-N 2.73Å; L1121-Y1124 PolarHBondContact O-N 2.66Å; E1122-Y1124 PolarHBondContact O-N 2.81Å; Y1124-A1127 PolarHBondContact O-N 3.05Å; Y1124-A1128 WeakPolarHBondContact O-CB 3.32Å; Y1124-A1128 PolarHBondContact O-N 2.75Å; Y1124-R1418 PolarHBondContact OH-NH1 2.59Å; Y1124-R1418 VanDerWaalsContact OH-NH1 3.08Å
1125L73.7Confident68.2Low29 Ų2967.4 Ų67.415%0.15234%0.343CS..Hα-helixtrans-66.7-40.7174.3-76.7169.7000111.6L1085 A1088 V1101 L1121 E1122 S1129 V1137 I1139L1085-L1125 HydrophobicContact CD1-CD1 3.57Å; A1088-L1125 HydrophobicContact CB-CD1 3.8Å; V1101-L1125 HydrophobicContact CG1-CD2 4.21Å; L1121-L1125 HydrophobicContact CD1-CD1 4.22Å; L1121-L1125 HydrophobicContact CG-CD1 3.9Å; L1121-L1125 VanDerWaalsContact O-CB 3.32Å; L1121-L1125 WeakPolarHBondContact O-CB 3.49Å; L1121-L1125 VanDerWaalsContact O-CG 3.25Å; L1121-L1125 WeakPolarHBondContact O-CG 3.12Å; L1121-L1125 PolarHBondContact O-N 2.83Å; E1122-L1125 PolarHBondContact O-N 3.37Å; L1125-S1129 WeakPolarHBondContact O-CB 3.48Å; L1125-S1129 PolarHBondContact O-N 2.83Å; L1125-S1129 PolarHBondContact O-OG 3.28Å; L1125-V1137 HydrophobicContact CD2-CB 4.16Å; L1125-V1137 HydrophobicContact CD2-CG1 3.85Å; L1125-I1139 HydrophobicContact CD1-CD1 4.32Å; L1125-I1139 HydrophobicContact CD2-CD1 4.16Å
1126N67Low66.9Low97 Ų9770 Ų7052%0.51936%0.36SS..Hα-helixtrans-61.5-48173.9-71.3-25.2000111E1122 T1123 S1129 E1130E1122-N1126 VanDerWaalsContact O-CG 3.29Å; E1122-N1126 PolarHBondContact O-N 2.85Å; E1122-N1126 PolarHBondContact O-ND2 2.97Å; T1123-N1126 PolarHBondContact O-N 3.27Å; N1126-S1129 PolarHBondContact O-N 3.3Å; N1126-S1129 PolarHBondContact O-OG 3.27Å; N1126-E1130 PolarHBondContact O-N 2.86Å
1127A63.1Low66.3Low42 Ų4267.3 Ų67.335%0.34735%0.352SS..Hα-helixtrans-64.6-43.617800000113.2T1123 Y1124 S1129 E1130 V1131T1123-A1127 PolarHBondContact O-N 3.05Å; T1123-A1127 VanDerWaalsContact O-N 3.08Å; Y1124-A1127 PolarHBondContact O-N 3.05Å; A1127-S1129 VanDerWaalsContact C-N 3.28Å; A1127-S1129 PolarHBondContact O-N 2.78Å; A1127-E1130 PolarHBondContact O-N 3.34Å; A1127-E1130 VanDerWaalsContact O-N 3.17Å; A1127-V1131 WeakPolarHBondContact O-CG2 3.3Å; A1127-V1131 PolarHBondContact O-N 3.05Å; A1127-V1131 VanDerWaalsContact O-N 3.08Å
1128A59.6Low66Low8 Ų865.4 Ų65.47%0.06634%0.338CS..Hα-helixtrans-64.6-33.2177.800000112.2Y1124 E1130 V1131 S1132 V1137Y1124-A1128 WeakPolarHBondContact O-CB 3.32Å; Y1124-A1128 PolarHBondContact O-N 2.75Å; A1128-E1130 VanDerWaalsContact C-N 3.3Å; A1128-E1130 PolarHBondContact O-N 3.41Å; A1128-V1131 PolarHBondContact O-N 3.43Å; A1128-S1132 PolarHBondContact O-N 3.36Å; A1128-V1137 HydrophobicContact CB-CG2 3.87Å
1129S57.1Low66.1Low62 Ų6262.7 Ų62.743%0.43432%0.324SS..Hα-helixtrans-67.5-27.6174.977.60000113.5L1125 N1126 A1127L1125-S1129 WeakPolarHBondContact O-CB 3.48Å; L1125-S1129 PolarHBondContact O-N 2.83Å; L1125-S1129 PolarHBondContact O-OG 3.28Å; N1126-S1129 PolarHBondContact O-N 3.3Å; N1126-S1129 PolarHBondContact O-OG 3.27Å; A1127-S1129 VanDerWaalsContact C-N 3.28Å; A1127-S1129 PolarHBondContact O-N 2.78Å
1130E52.8Low66.5Low153 Ų15355.8 Ų55.872%0.71529%0.292SS*.Hα-helixtrans-77.3-43.3172.4-72.8-174.8158.400112N1126 A1127 A1128N1126-E1130 PolarHBondContact O-N 2.86Å; A1127-E1130 PolarHBondContact O-N 3.34Å; A1127-E1130 VanDerWaalsContact O-N 3.17Å; A1128-E1130 VanDerWaalsContact C-N 3.3Å; A1128-E1130 PolarHBondContact O-N 3.41Å
1131V48.8Very low67.1Low109 Ų10956.5 Ų56.566%0.66129%0.293SS*.Hα-helixtrans-72.1-37.9-176.1176.10000112.2A1111 A1127 A1128A1111-V1131 HydrophobicContact CB-CG1 4.09Å; A1127-V1131 WeakPolarHBondContact O-CG2 3.3Å; A1127-V1131 PolarHBondContact O-N 3.05Å; A1127-V1131 VanDerWaalsContact O-N 3.08Å; A1128-V1131 PolarHBondContact O-N 3.43Å
1132S47.1Very low67.5Low21 Ų2157.9 Ų57.915%0.14730%0.299CS..THydrogen-bonded Turntrans-128.579.1175.6-162.10000111.2A1128 E1134 H1135A1128-S1132 PolarHBondContact O-N 3.36Å; S1132-E1134 PolarHBondContact O-N 3.34Å; S1132-E1134 VanDerWaalsContact O-N 3.13Å; S1132-H1135 WeakPolarHBondContact OG-CB 2.97Å; S1132-H1135 PolarHBondContact OG-CD2 2.63Å; S1132-H1135 PolarHBondContact OG-N 3.36Å
1133R47.9Very low67.8Low225 Ų22554.9 Ų54.985%0.84929%0.286SS*.THydrogen-bonded Turntrans-58.4-20.3166.3-68.1-177-179.1170.91.8112.4
1134E50.4Low68.4Low96 Ų9654.2 Ų54.245%0.44928%0.282SS..THydrogen-bonded Turntrans-91.7-21.7-171.7-57.9-168.5168.600114.9S1132 K2172S1132-E1134 PolarHBondContact O-N 3.34Å; S1132-E1134 VanDerWaalsContact O-N 3.13Å; E1134-K2172 VanDerWaalsContact OE1-CD 3.24Å; E1134-K2172 WeakPolarHBondContact OE1-CD 3.09Å; E1134-K2172 IonicContact OE1-NZ 2.73Å; E1134-K2172 PolarHBondContact OE1-NZ 3.33Å; E1134-K2172 WeakPolarHBondContact OE2-CD 3.36Å; E1134-K2172 IonicContact OE2-NZ 3.5Å; E1134-K2172 PolarHBondContact OE2-NZ 3.08Å
1135H54.7Low68.8Low36 Ų3657.7 Ų57.717%0.16730%0.299CS..SBendtrans-126124.1-173.4-59.7-57000112.5Y1105 S1132Y1105-H1135 AromaticContact CD2-ND1 3.85Å; S1132-H1135 WeakPolarHBondContact OG-CB 2.97Å; S1132-H1135 PolarHBondContact OG-CD2 2.63Å; S1132-H1135 PolarHBondContact OG-N 3.36Å
1136P59.2Low69.6Low56 Ų5656.4 Ų56.436%0.36429%0.292SS..  trans-60.2143.8173.122.4-30.1000111.1S1104S1104-P1136 WeakPolarHBondContact CB-O 3.38Å; S1104-P1136 PolarHBondContact N-O 2.9Å; S1104-P1136 VanDerWaalsContact N-O 3.12Å; S1104-P1136 WeakPolarHBondContact OG-CD 3.13Å; S1104-P1136 PolarHBondContact OG-O 3.06Å
1137V71.7Confident70.8Confident22 Ų2254 Ų5413%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-84.2136.5-179.2-177.70000109.9V1101 R1102 L1125 A1128V1101-V1137 HydrophobicContact CG1-CG1 3.33Å; R1102-V1137 WeakPolarHBondContact O-CG1 3.47Å; L1125-V1137 HydrophobicContact CD2-CB 4.16Å; L1125-V1137 HydrophobicContact CD2-CG1 3.85Å; A1128-V1137 HydrophobicContact CB-CG2 3.87Å
1138V78.7Confident72.2Confident1 Ų152.5 Ų52.51%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-111.6137.2176.6-1770000109.2R1062 W1079 R1102R1062-V1138 HydrophobicContact CB-CG2 4.34Å; R1062-V1138 HydrophobicContact CG-CB 4.28Å; R1062-V1138 HydrophobicContact CG-CG1 3.97Å; R1062-V1138 HydrophobicContact CG-CG2 4.16Å; W1079-V1138 HydrophobicContact CE3-CG1 3.87Å; R1102-V1138 PolarHBondContact N-O 3.38Å; R1102-V1138 PolarHBondContact O-N 3.43Å
1139I85.5Confident73.9Confident0 Ų052.1 Ų52.10%026%0.26CS..EExtended strand (participates in β ladder)trans-112.8133.1177-57.5174.8000109.1W1079 K1080 L1082 A1088 F1091 C1099 L1100 V1101 L1121 L1125W1079-I1139 CarbonylContact C-O 3.58Å; W1079-I1139 WeakPolarHBondContact CA-O 3.46Å; K1080-I1139 PolarHBondContact N-O 2.94Å; K1080-I1139 PolarHBondContact O-N 2.78Å; K1080-I1139 VanDerWaalsContact O-N 3.1Å; L1082-I1139 HydrophobicContact CD1-CB 3.62Å; L1082-I1139 HydrophobicContact CD1-CD1 3.23Å; L1082-I1139 HydrophobicContact CD1-CG1 3.55Å; A1088-I1139 HydrophobicContact CB-CD1 3.68Å; F1091-I1139 HydrophobicContact CD1-CB 4.21Å; F1091-I1139 HydrophobicContact CD1-CG2 3.93Å; F1091-I1139 HydrophobicContact CE1-CB 4.27Å; F1091-I1139 HydrophobicContact CE1-CG2 3.94Å; F1091-I1139 WeakPolarHBondContact CE1-O 3.5Å; C1099-I1139 HydrophobicContact CB-CG2 3.95Å; L1100-I1139 WeakPolarHBondContact O-CA 3.48Å; V1101-I1139 HydrophobicContact CG2-CD1 4.46Å; V1101-I1139 HydrophobicContact CG2-CG1 4.34Å; L1121-I1139 HydrophobicContact CD1-CD1 3.59Å; L1125-I1139 HydrophobicContact CD1-CD1 4.32Å; L1125-I1139 HydrophobicContact CD2-CD1 4.16Å
1140S88.2Confident75.8Confident2 Ų249.2 Ų49.21%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-132.3152.4177.5480000112.1R1078 L1100 R1102 F1142R1078-S1140 CarbonylContact O-C 3.46Å; R1078-S1140 VanDerWaalsContact O-CA 3.23Å; R1078-S1140 WeakPolarHBondContact O-CA 3.15Å; L1100-S1140 PolarHBondContact N-O 2.68Å; L1100-S1140 PolarHBondContact O-N 3.08Å; R1102-S1140 PolarHBondContact NH2-OG 3.34Å; S1140-F1142 PolarHBondContact O-N 3.3Å
1141K91.9Very high77.8Confident40 Ų4042 Ų4217%0.17421%0.206CC..EExtended strand (participates in β ladder)trans-63.1122.3175.9176.956.5-177.1164.60110R1078 V1095 G1096 Y1097 P1098 L1143R1078-K1141 HydrophobicContact CB-CB 4.34Å; R1078-K1141 PolarHBondContact O-N 2.97Å; V1095-K1141 HydrophobicContact CB-CB 4.26Å; V1095-K1141 HydrophobicContact CB-CD 4.17Å; V1095-K1141 HydrophobicContact CB-CG 4.49Å; V1095-K1141 HydrophobicContact CG2-CB 4.14Å; V1095-K1141 HydrophobicContact CG2-CD 3.98Å; V1095-K1141 WeakPolarHBondContact O-CD 3.46Å; V1095-K1141 WeakPolarHBondContact O-CE 3.08Å; G1096-K1141 WeakPolarHBondContact O-CD 3.25Å; G1096-K1141 PolarHBondContact O-NZ 2.88Å; Y1097-K1141 VanDerWaalsContact C-NZ 3.25Å; Y1097-K1141 PolarHBondContact O-NZ 2.82Å; P1098-K1141 PolarHBondContact O-NZ 3.15Å; P1098-K1141 VanDerWaalsContact O-NZ 3.11Å; K1141-L1143 HydrophobicContact CG-CD2 4.02Å
1142F89Confident80.2Confident29 Ų2936.8 Ų36.813%0.12717%0.174CC..  trans-81.1121.3172.1-173.6-86000109.2P1098 L1100 V1114 S1140 T1144 V1294P1098-F1142 HydrophobicContact CB-CB 4.26Å; P1098-F1142 HydrophobicContact CB-CD1 4.4Å; P1098-F1142 HydrophobicContact CG-CB 4.13Å; P1098-F1142 HydrophobicContact CG-CD1 3.72Å; P1098-F1142 HydrophobicContact CG-CG 4.29Å; P1098-F1142 WeakPolarHBondContact O-CB 3.5Å; P1098-F1142 PolarHBondContact O-N 2.78Å; L1100-F1142 HydrophobicContact CB-CB 4.41Å; L1100-F1142 HydrophobicContact CB-CD2 4.34Å; V1114-F1142 HydrophobicContact CG1-CB 4.43Å; V1114-F1142 HydrophobicContact CG1-CD1 4.41Å; V1114-F1142 HydrophobicContact CG1-CD2 4.08Å; V1114-F1142 HydrophobicContact CG1-CE2 4.42Å; V1114-F1142 HydrophobicContact CG1-CG 4.05Å; V1114-F1142 HydrophobicContact CG2-CD2 3.78Å; V1114-F1142 HydrophobicContact CG2-CE2 3.68Å; V1114-F1142 HydrophobicContact CG2-CZ 4.39Å; S1140-F1142 PolarHBondContact O-N 3.3Å; F1142-T1144 HydrophobicContact CD1-CG2 3.96Å; F1142-T1144 HydrophobicContact CE1-CG2 4.1Å; F1142-V1294 HydrophobicContact CE2-CG1 4.24Å
1143L87.3Confident82.6Confident29 Ų2935.8 Ų35.815%0.15217%0.167CC..  trans-93.2101.5-177.1-62.5178.2000109.8P1077 K1141 A1146 I1218 K1225P1077-L1143 HydrophobicContact CG-CD1 4.39Å; K1141-L1143 HydrophobicContact CG-CD2 4.02Å; L1143-A1146 HydrophobicContact CB-CB 4.34Å; L1143-I1218 HydrophobicContact CB-CD1 4.41Å; L1143-I1218 HydrophobicContact CB-CG2 4.36Å; L1143-I1218 HydrophobicContact CD1-CB 4.43Å; L1143-I1218 HydrophobicContact CD1-CD1 4.19Å; L1143-I1218 HydrophobicContact CD1-CG2 3.92Å; L1143-K1225 HydrophobicContact CD1-CD 3.85Å
1144T86.1Confident85Confident59 Ų5925 Ų2536%0.36213%0.127SC..THydrogen-bonded Turntrans-71.9151.5175.659.90000111.2P1098 F1142 A1146 K1220P1098-T1144 HydrophobicContact CG-CG2 3.73Å; F1142-T1144 HydrophobicContact CD1-CG2 3.96Å; F1142-T1144 HydrophobicContact CE1-CG2 4.1Å; T1144-A1146 PolarHBondContact O-N 3.28Å; T1144-K1220 PolarHBondContact O-NZ 3.39Å
1145E85.3Confident87.1Confident96 Ų9620.5 Ų20.545%0.44911%0.106SC..THydrogen-bonded Turntrans54.538.4174.7-49.9-174.297.300114K1337E1145-K1337 WeakPolarHBondContact OE1-CE 3.41Å; E1145-K1337 IonicContact OE1-NZ 2.79Å; E1145-K1337 PolarHBondContact OE1-NZ 3.03Å; E1145-K1337 IonicContact OE2-NZ 2.8Å; E1145-K1337 PolarHBondContact OE2-NZ 2.94Å
1146A90.2Very high89Confident1 Ų120.2 Ų20.21%0.00811%0.108CC..  trans-110150.3171.600000108.5L1143 T1144 A1172 I1218 K1220L1143-A1146 HydrophobicContact CB-CB 4.34Å; T1144-A1146 PolarHBondContact O-N 3.28Å; A1146-A1172 HydrophobicContact CB-CB 4.25Å; A1146-A1172 WeakPolarHBondContact O-CB 3.34Å; A1146-A1172 PolarHBondContact O-N 3.08Å; A1146-I1218 HydrophobicContact CB-CG2 3.13Å; A1146-K1220 HydrophobicContact CB-CB 3.91Å; A1146-K1220 HydrophobicContact CB-CD 4.14Å; A1146-K1220 HydrophobicContact CB-CG 4.39Å
1147K91.4Very high90.4Very high47 Ų4722 Ų2220%0.20411%0.114CC..EExtended strand (participates in β ladder)trans-85.4135.6173.4-179.8177.8-77.6-166.30108.1I1149 E1167 D1187 L1188 I1218 A1219K1147-I1149 HydrophobicContact CG-CG1 4.47Å; K1147-E1167 HydrophobicContact CD-CB 4.33Å; K1147-E1167 IonicContact NZ-OE2 2.69Å; K1147-E1167 PolarHBondContact NZ-OE2 3.08Å; K1147-D1187 VanDerWaalsContact NZ-CG 3.32Å; K1147-D1187 PolarHBondContact NZ-O 2.78Å; K1147-D1187 IonicContact NZ-OD2 3.46Å; K1147-D1187 PolarHBondContact NZ-OD2 3.01Å; K1147-L1188 HydrophobicContact CD-CD2 3.9Å; K1147-I1218 CarbonylContact O-C 3.57Å; K1147-I1218 WeakPolarHBondContact O-CA 3.43Å; K1147-A1219 HydrophobicContact CB-CB 4.48Å; K1147-A1219 PolarHBondContact N-O 3.28Å; K1147-A1219 PolarHBondContact O-N 3.22Å
1148E94.3Very high91.2Very high11 Ų1121.3 Ų21.35%0.05111%0.112CC..EExtended strand (participates in β ladder)trans-97142.2172.9-169.1165.9148.100109.8H1168 A1172 L1217 I1227E1148-H1168 HydrophobicContact CB-CB 4.18Å; E1148-H1168 WeakPolarHBondContact O-CB 3.48Å; E1148-H1168 PolarHBondContact O-N 3.27Å; E1148-H1168 IonicContact OE1-CE1 2.87Å; E1148-H1168 PolarHBondContact OE1-CE1 3.12Å; E1148-A1172 HydrophobicContact CB-CB 4.09Å; E1148-L1217 CarbonylContact C-O 3.51Å; E1148-L1217 WeakPolarHBondContact CA-O 3.5Å; E1148-I1227 HydrophobicContact CG-CD1 4.08Å
1149I95.3Very high91.7Very high0 Ų029.3 Ų29.30%014%0.142CC..EExtended strand (participates in β ladder)trans-132.4121.7-175-56.6169.8000107.6K1147 V1151 V1165 S1166 L1188 I1196 Q1216 L1217 A1219 L1224K1147-I1149 HydrophobicContact CG-CG1 4.47Å; I1149-V1151 HydrophobicContact CG2-CG2 4.27Å; I1149-V1165 HydrophobicContact CG2-CG1 3.61Å; I1149-S1166 WeakPolarHBondContact CA-O 3.33Å; I1149-L1188 HydrophobicContact CD1-CD1 3.92Å; I1149-L1188 HydrophobicContact CD1-CD2 3.85Å; I1149-L1188 HydrophobicContact CG1-CD1 4.34Å; I1149-L1188 HydrophobicContact CG1-CD2 4.46Å; I1149-L1188 HydrophobicContact CG2-CD1 4.43Å; I1149-I1196 HydrophobicContact CD1-CD1 3.85Å; I1149-I1196 HydrophobicContact CG2-CD1 3.93Å; I1149-Q1216 WeakPolarHBondContact O-CA 3.4Å; I1149-L1217 HydrophobicContact CB-CB 4.23Å; I1149-L1217 PolarHBondContact N-O 2.78Å; I1149-L1217 PolarHBondContact O-N 3.02Å; I1149-A1219 HydrophobicContact CD1-CB 3.76Å; I1149-L1224 HydrophobicContact CD1-CD2 4.13Å
1150D95.1Very high92.1Very high1 Ų130.5 Ų30.51%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-92134.5172.5-90.3-50.3000109.7S1166 H1168 S1176 Q1216D1150-S1166 PolarHBondContact N-O 3.48Å; D1150-S1166 PolarHBondContact O-N 3.4Å; D1150-H1168 IonicContact OD2-CD2 3.42Å; D1150-H1168 IonicContact OD2-CE1 3.01Å; D1150-H1168 IonicContact OD2-NE2 3.37Å; D1150-H1168 PolarHBondContact OD2-NE2 2.95Å; D1150-S1176 WeakPolarHBondContact OD2-CB 3.4Å; D1150-Q1216 WeakPolarHBondContact OD1-CG 3.3Å
1151V96.9Very high92.4Very high0 Ų030.9 Ų30.90%015%0.15CC..EExtended strand (participates in β ladder)trans-126.4118.4174.2-172.10000108.9I1149 M1163 A1164 V1165 I1196 T1200 N1214 M1215 L1217I1149-V1151 HydrophobicContact CG2-CG2 4.27Å; V1151-M1163 HydrophobicContact CG1-CE 4.08Å; V1151-A1164 WeakPolarHBondContact CA-O 3.18Å; V1151-A1164 WeakPolarHBondContact CG1-O 3.32Å; V1151-V1165 HydrophobicContact CG1-CG2 4.23Å; V1151-V1165 HydrophobicContact CG2-CG2 4.25Å; V1151-I1196 HydrophobicContact CG2-CG2 3.57Å; V1151-T1200 HydrophobicContact CG1-CG2 4.18Å; V1151-N1214 CarbonylContact O-C 3.58Å; V1151-N1214 WeakPolarHBondContact O-CA 3.49Å; V1151-M1215 HydrophobicContact CB-CG 3.57Å; V1151-M1215 HydrophobicContact CB-SD 4.24Å; V1151-M1215 HydrophobicContact CG1-CG 4.28Å; V1151-M1215 HydrophobicContact CG1-SD 4.48Å; V1151-M1215 HydrophobicContact CG2-CG 4.13Å; V1151-M1215 PolarHBondContact N-O 3.15Å; V1151-M1215 PolarHBondContact O-N 3.28Å; V1151-L1217 HydrophobicContact CG2-CD1 3.89Å
1152D97.5Very high92.6Very high0 Ų029.1 Ų29.10%014%0.142CC..EExtended strand (participates in β ladder)trans-101.6130.6172.5-66.3-51.8000108.9M1163 A1164 N1214 S1234 S1236 F1237 V1240D1152-M1163 CarbonylContact O-C 3.28Å; D1152-M1163 VanDerWaalsContact O-CA 3.31Å; D1152-M1163 WeakPolarHBondContact O-CA 3.3Å; D1152-A1164 PolarHBondContact N-O 3.34Å; D1152-A1164 PolarHBondContact O-N 3.43Å; D1152-N1214 PolarHBondContact OD1-ND2 3.48Å; D1152-S1234 WeakPolarHBondContact OD1-CB 3.24Å; D1152-S1234 PolarHBondContact OD1-OG 3.29Å; D1152-S1236 VanDerWaalsContact CG-OG 3.27Å; D1152-S1236 PolarHBondContact OD1-OG 3.06Å; D1152-S1236 WeakPolarHBondContact OD2-CB 3.39Å; D1152-S1236 PolarHBondContact OD2-OG 3.16Å; D1152-F1237 HydrophobicContact CB-CD2 3.88Å; D1152-F1237 HydrophobicContact CB-CE2 3.62Å; D1152-F1237 HydrophobicContact CB-CZ 4.34Å; D1152-F1237 WeakPolarHBondContact OD1-CD2 3.32Å; D1152-F1237 WeakPolarHBondContact OD1-CE2 3.34Å; D1152-V1240 HydrophobicContact CB-CG2 4.17Å
1153A97.6Very high92.9Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-147.7156.3-17700000112.3I1160 C1162 M1163 T1200 F1213A1153-I1160 HydrophobicContact CB-CD1 4.42Å; A1153-C1162 WeakPolarHBondContact CA-O 3.41Å; A1153-M1163 HydrophobicContact CB-CB 4Å; A1153-T1200 HydrophobicContact CB-CG2 4.11Å; A1153-F1213 HydrophobicContact CB-CD1 4.06Å; A1153-F1213 HydrophobicContact CB-CE1 3.38Å; A1153-F1213 HydrophobicContact CB-CE2 4.16Å; A1153-F1213 HydrophobicContact CB-CZ 3.44Å; A1153-F1213 VanDerWaalsContact CB-CZ 3.44Å; A1153-F1213 PolarHBondContact N-O 2.9Å; A1153-F1213 WeakPolarHBondContact O-CD1 3.21Å; A1153-F1213 PolarHBondContact O-N 3.19Å; A1153-F1213 VanDerWaalsContact O-O 3.06Å
1154V98.1Very high93.3Very high0 Ų026.9 Ų26.90%013%0.131CC..EExtended strand (participates in β ladder)trans-118.4132.4171.9-176.10000107.9L1161 C1162 G1211 F1237 F1248 T1251 A1252V1154-L1161 HydrophobicContact CG1-CD1 4.17Å; V1154-L1161 PolarHBondContact O-N 3.23Å; V1154-C1162 PolarHBondContact N-O 3.04Å; V1154-G1211 WeakPolarHBondContact CA-O 3.43Å; V1154-F1237 HydrophobicContact CG2-CE1 4.21Å; V1154-F1248 HydrophobicContact CG2-CB 4.1Å; V1154-F1248 HydrophobicContact CG2-CD1 3.96Å; V1154-F1248 HydrophobicContact CG2-CG 4.37Å; V1154-F1248 WeakPolarHBondContact CG2-O 3.32Å; V1154-T1251 HydrophobicContact CB-CG2 4.24Å; V1154-T1251 HydrophobicContact CG1-CG2 3.95Å; V1154-A1252 VanDerWaalsContact CG1-CA 3.47Å; V1154-A1252 HydrophobicContact CG1-CB 3.8Å; V1154-A1252 HydrophobicContact CG2-CB 4.04Å
1155A96.2Very high93.8Very high0 Ų024.1 Ų24.10%012%0.115CC..EExtended strand (participates in β ladder)trans-126.6160.3176.400000111.9R1159 I1160 A1204 V1209 T1210 G1211 F1213A1155-R1159 CarbonylContact C-O 3.55Å; A1155-R1159 WeakPolarHBondContact CA-O 3.33Å; A1155-R1159 WeakPolarHBondContact CB-O 3.36Å; A1155-I1160 HydrophobicContact CB-CD1 4.23Å; A1155-A1204 HydrophobicContact CB-CB 4.08Å; A1155-V1209 CarbonylContact C-O 3.56Å; A1155-V1209 HydrophobicContact CB-CB 4Å; A1155-V1209 HydrophobicContact CB-CG1 4.07Å; A1155-V1209 WeakPolarHBondContact CB-O 3.48Å; A1155-T1210 CarbonylContact O-C 3.52Å; A1155-T1210 WeakPolarHBondContact O-CA 3.44Å; A1155-G1211 PolarHBondContact N-O 2.99Å; A1155-G1211 PolarHBondContact O-N 2.88Å; A1155-F1213 HydrophobicContact CB-CD1 4.47Å; A1155-F1213 HydrophobicContact CB-CE1 3.98Å
1156S94.2Very high94.3Very high31 Ų3119.6 Ų19.622%0.2179%0.093CC..EExtended strand (participates in β ladder)trans-134120.6168.7-172.70000108.3G1158 R1159S1156-G1158 PolarHBondContact O-N 2.83Å; S1156-R1159 PolarHBondContact N-O 3.42Å; S1156-R1159 WeakPolarHBondContact O-CB 3.39Å; S1156-R1159 PolarHBondContact O-N 3.33Å
1157D88.4Confident94.5Very high92 Ų9219.7 Ų19.749%0.4929%0.094SC..THydrogen-bonded Turntrans5039.5-173.1-63.2-43.7000112.7R1159 V1209 T1210D1157-R1159 VanDerWaalsContact C-N 3.26Å; D1157-R1159 PolarHBondContact O-N 2.98Å; D1157-V1209 PolarHBondContact N-O 2.97Å; D1157-T1210 PolarHBondContact N-OG1 3.13Å
1158G87.7Confident94.7Very high8 Ų817.6 Ų17.68%0.0829%0.085CC..THydrogen-bonded Turntrans74.82.5-178.100000116S1156 A1204 S1205 V1209S1156-G1158 PolarHBondContact O-N 2.83Å; G1158-A1204 WeakPolarHBondContact CA-O 3.14Å; G1158-A1204 WeakPolarHBondContact O-CB 3.2Å; G1158-S1205 PolarHBondContact O-N 2.89Å; G1158-V1209 PolarHBondContact N-O 3.07Å
1159R89.4Confident94.7Very high170 Ų17018.2 Ų18.264%0.6429%0.089SC*.EExtended strand (participates in β ladder)trans-90.2125171.1-177.1-176.7-179.9-177.80.9110.3A1155 S1156 D1157 L1161A1155-R1159 CarbonylContact C-O 3.55Å; A1155-R1159 WeakPolarHBondContact CA-O 3.33Å; A1155-R1159 WeakPolarHBondContact CB-O 3.36Å; S1156-R1159 PolarHBondContact N-O 3.42Å; S1156-R1159 WeakPolarHBondContact O-CB 3.39Å; S1156-R1159 PolarHBondContact O-N 3.33Å; D1157-R1159 VanDerWaalsContact C-N 3.26Å; D1157-R1159 PolarHBondContact O-N 2.98Å; R1159-L1161 PolarHBondContact O-N 2.95Å
1160I94.2Very high94.6Very high25 Ų2518.6 Ų18.613%0.1289%0.091CC..EExtended strand (participates in β ladder)trans-64.7129.5176.3-54.4-57.5000110.7A1153 A1155 M1163 T1200 A1204 F1213A1153-I1160 HydrophobicContact CB-CD1 4.42Å; A1155-I1160 HydrophobicContact CB-CD1 4.23Å; I1160-M1163 HydrophobicContact CG2-CB 4.17Å; I1160-T1200 HydrophobicContact CD1-CG2 3.92Å; I1160-T1200 HydrophobicContact CG1-CG2 4.48Å; I1160-A1204 HydrophobicContact CD1-CB 3.54Å; I1160-F1213 HydrophobicContact CD1-CE1 3.78Å; I1160-F1213 HydrophobicContact CD1-CZ 3.61Å
1161L94.4Very high94.4Very high10 Ų1020.4 Ų20.45%0.05210%0.101CC..EExtended strand (participates in β ladder)trans-96.7-46.2173.3-61.5-177.6000111.1V1154 R1159 T1251 A1255 V1261 P1263 L1264V1154-L1161 HydrophobicContact CG1-CD1 4.17Å; V1154-L1161 PolarHBondContact O-N 3.23Å; R1159-L1161 PolarHBondContact O-N 2.95Å; L1161-T1251 HydrophobicContact CB-CG2 3.92Å; L1161-T1251 HydrophobicContact CD1-CG2 3.96Å; L1161-A1255 HydrophobicContact CD1-CB 3.89Å; L1161-V1261 HydrophobicContact CD1-CB 3.98Å; L1161-V1261 HydrophobicContact CD1-CG1 4.37Å; L1161-V1261 WeakPolarHBondContact CD2-O 3.32Å; L1161-P1263 HydrophobicContact CD2-CG 4.16Å; L1161-P1263 CarbonylContact O-C 3.6Å; L1161-P1263 WeakPolarHBondContact O-CA 3.22Å; L1161-L1264 PolarHBondContact O-N 2.97Å
1162C95.3Very high94Very high2 Ų220.8 Ų20.81%0.01410%0.104CC..EExtended strand (participates in β ladder)trans-150.8154.8172.759.40000109.8A1153 V1154 F1248 V1266A1153-C1162 WeakPolarHBondContact CA-O 3.41Å; V1154-C1162 PolarHBondContact N-O 3.04Å; C1162-F1248 HydrophobicContact CB-CE1 4.4Å; C1162-F1248 HydrophobicContact CB-CZ 4.23Å; C1162-V1266 HydrophobicContact CB-CG2 4.3Å
1163M95.6Very high93.4Very high11 Ų1121.7 Ų21.75%0.05411%0.114CC..EExtended strand (participates in β ladder)trans-147.4145.917966.2179.2-69.700111.6V1151 D1152 A1153 I1160 V1165 I1196 K1197 V1266 L1267V1151-M1163 HydrophobicContact CG1-CE 4.08Å; D1152-M1163 CarbonylContact O-C 3.28Å; D1152-M1163 VanDerWaalsContact O-CA 3.31Å; D1152-M1163 WeakPolarHBondContact O-CA 3.3Å; A1153-M1163 HydrophobicContact CB-CB 4Å; I1160-M1163 HydrophobicContact CG2-CB 4.17Å; M1163-V1165 HydrophobicContact CE-CG2 3.84Å; M1163-I1196 HydrophobicContact CE-CG2 4.43Å; M1163-K1197 HydrophobicContact CE-CB 4.29Å; M1163-K1197 HydrophobicContact SD-CB 4.26Å; M1163-K1197 HydrophobicContact SD-CG 3.89Å; M1163-V1266 WeakPolarHBondContact O-CG2 3.42Å; M1163-L1267 HydrophobicContact CE-CD1 4.26Å; M1163-L1267 HydrophobicContact CG-CD1 4.38Å
1164A96.1Very high93Very high0 Ų022.4 Ų22.40%012%0.118CC..EExtended strand (participates in β ladder)trans-125139.3173.100000109V1151 D1152 V1240 L1244 F1248V1151-A1164 WeakPolarHBondContact CA-O 3.18Å; V1151-A1164 WeakPolarHBondContact CG1-O 3.32Å; D1152-A1164 PolarHBondContact N-O 3.34Å; D1152-A1164 PolarHBondContact O-N 3.43Å; A1164-V1240 HydrophobicContact CB-CB 3.65Å; A1164-V1240 HydrophobicContact CB-CG1 3.8Å; A1164-V1240 HydrophobicContact CB-CG2 3.97Å; A1164-L1244 HydrophobicContact CB-CD1 3.51Å; A1164-F1248 HydrophobicContact CB-CE1 4.1Å; A1164-F1248 HydrophobicContact CB-CZ 3.78Å
1165V96.2Very high92.5Very high2 Ų224 Ų241%0.01213%0.125CC..EExtended strand (participates in β ladder)trans-115.8131.7175.7177.30000108I1149 V1151 M1163 P1185 L1188 L1193 I1196 L1267I1149-V1165 HydrophobicContact CG2-CG1 3.61Å; V1151-V1165 HydrophobicContact CG1-CG2 4.23Å; V1151-V1165 HydrophobicContact CG2-CG2 4.25Å; M1163-V1165 HydrophobicContact CE-CG2 3.84Å; V1165-P1185 HydrophobicContact CB-CG 4.32Å; V1165-P1185 HydrophobicContact CG1-CG 4.08Å; V1165-P1185 WeakPolarHBondContact O-CD 3.48Å; V1165-L1188 HydrophobicContact CG1-CD1 4.07Å; V1165-L1193 HydrophobicContact CB-CD1 4.18Å; V1165-L1193 HydrophobicContact CG1-CD1 4.2Å; V1165-L1193 HydrophobicContact CG2-CD1 4.03Å; V1165-I1196 HydrophobicContact CG1-CD1 4.07Å; V1165-I1196 HydrophobicContact CG2-CG2 4Å; V1165-L1267 HydrophobicContact CB-CD1 4.03Å; V1165-L1267 HydrophobicContact CG2-CD1 3.55Å
1166S96.1Very high92.1Very high0 Ų024.9 Ų24.90%013%0.131CC..EExtended strand (participates in β ladder)trans-127.8127.4-179.9-50.30000108.9I1149 D1150 V1182 T1183I1149-S1166 WeakPolarHBondContact CA-O 3.33Å; D1150-S1166 PolarHBondContact N-O 3.48Å; D1150-S1166 PolarHBondContact O-N 3.4Å; S1166-V1182 WeakPolarHBondContact CA-O 3.37Å; S1166-T1183 WeakPolarHBondContact CB-OG1 2.84Å; S1166-T1183 PolarHBondContact OG-OG1 3.2Å
1167E94.3Very high91.8Very high4 Ų423.4 Ų23.42%0.01912%0.121CC..EExtended strand (participates in β ladder)trans-92.7138175.462.4179167.900111K1147 L1181 V1182 P1185 Q1186 D1187K1147-E1167 HydrophobicContact CD-CB 4.33Å; K1147-E1167 IonicContact NZ-OE2 2.69Å; K1147-E1167 PolarHBondContact NZ-OE2 3.08Å; E1167-L1181 WeakPolarHBondContact O-CA 2.98Å; E1167-V1182 HydrophobicContact CG-CB 3.86Å; E1167-V1182 HydrophobicContact CG-CG2 4.4Å; E1167-V1182 PolarHBondContact N-O 3.3Å; E1167-V1182 VanDerWaalsContact N-O 3.14Å; E1167-V1182 PolarHBondContact O-N 3.25Å; E1167-P1185 HydrophobicContact CB-CB 4.37Å; E1167-P1185 HydrophobicContact CG-CB 4.2Å; E1167-Q1186 PolarHBondContact OE1-N 2.83Å; E1167-D1187 PolarHBondContact OE1-N 2.89Å; E1167-D1187 WeakPolarHBondContact OE2-CB 3.19Å; E1167-D1187 PolarHBondContact OE2-N 3.05Å
1168H95.4Very high92Very high2 Ų219 Ų191%0.00910%0.097CC..EExtended strand (participates in β ladder)trans-73.1141.1167.6-70.7-153.4000109.6E1148 D1150 A1179 T1180 L1181E1148-H1168 HydrophobicContact CB-CB 4.18Å; E1148-H1168 WeakPolarHBondContact O-CB 3.48Å; E1148-H1168 PolarHBondContact O-N 3.27Å; E1148-H1168 IonicContact OE1-CE1 2.87Å; E1148-H1168 PolarHBondContact OE1-CE1 3.12Å; D1150-H1168 IonicContact OD2-CD2 3.42Å; D1150-H1168 IonicContact OD2-CE1 3.01Å; D1150-H1168 IonicContact OD2-NE2 3.37Å; D1150-H1168 PolarHBondContact OD2-NE2 2.95Å; H1168-A1179 HydrophobicContact CB-CB 4.41Å; H1168-A1179 VanDerWaalsContact ND1-CB 3.29Å; H1168-A1179 WeakPolarHBondContact ND1-CB 3.48Å; H1168-T1180 WeakPolarHBondContact CA-O 3.31Å; H1168-L1181 WeakPolarHBondContact CD2-CD2 3.3Å; H1168-L1181 WeakPolarHBondContact NE2-CD2 3.07Å
1169V95.3Very high92.3Very high25 Ų2518.6 Ų18.615%0.1529%0.093CC..EExtended strand (participates in β ladder)trans-77.9-45.5169178.50000109.9T1180 V1182 K1446 L1450V1169-T1180 HydrophobicContact CB-CG2 4.28Å; V1169-T1180 HydrophobicContact CG2-CG2 3.65Å; V1169-T1180 PolarHBondContact N-O 3.16Å; V1169-V1182 HydrophobicContact CG2-CG2 3.89Å; V1169-K1446 HydrophobicContact CG1-CB 4.17Å; V1169-K1446 WeakPolarHBondContact O-CB 3.35Å; V1169-K1446 WeakPolarHBondContact O-CG 3.17Å; V1169-L1450 HydrophobicContact CB-CD2 4.45Å; V1169-L1450 HydrophobicContact CG1-CB 4.27Å; V1169-L1450 HydrophobicContact CG1-CD2 3.82Å; V1169-L1450 HydrophobicContact CG2-CD2 3.72Å
1170E93.8Very high92.6Very high7 Ų710.7 Ų10.73%0.0336%0.064CC..EExtended strand (participates in β ladder)trans-63.8156175.1-61.480.8175.500111.1V1174 A1179 T1180 D1444 C1447E1170-V1174 HydrophobicContact CB-CB 4.17Å; E1170-V1174 HydrophobicContact CB-CG2 3.92Å; E1170-V1174 HydrophobicContact CG-CG2 4.27Å; E1170-A1179 WeakPolarHBondContact OE2-CA 3.47Å; E1170-T1180 VanDerWaalsContact CD-N 3.32Å; E1170-T1180 WeakPolarHBondContact OE1-CB 3.17Å; E1170-T1180 PolarHBondContact OE1-N 3.29Å; E1170-T1180 PolarHBondContact OE1-OG1 3.43Å; E1170-T1180 WeakPolarHBondContact OE2-CB 3.45Å; E1170-T1180 PolarHBondContact OE2-N 3.43Å; E1170-D1444 HydrophobicContact CG-CB 4.43Å; E1170-C1447 PolarHBondContact OE1-SG 3.12Å
1171N90.3Very high92.7Very high39 Ų399.7 Ų9.721%0.2096%0.059CC..EExtended strand (participates in β ladder)trans-72.8155.6171.1-63.6-56.2000110.6G1173 K1446N1171-G1173 PolarHBondContact O-N 3.41Å; N1171-K1446 WeakPolarHBondContact OD1-CE 3.34Å
1172A88.2Confident92.9Very high9 Ų99.2 Ų9.27%0.0746%0.056CC..THydrogen-bonded Turntrans-49.8137.4175.500000112.4A1146 E1148 I1218A1146-A1172 HydrophobicContact CB-CB 4.25Å; A1146-A1172 WeakPolarHBondContact O-CB 3.34Å; A1146-A1172 PolarHBondContact O-N 3.08Å; E1148-A1172 HydrophobicContact CB-CB 4.09Å; A1172-I1218 HydrophobicContact CB-CD1 4.29Å; A1172-I1218 HydrophobicContact CB-CG1 4.3Å
1173G84.7Confident93Very high19 Ų199.1 Ų9.120%0.1966%0.056CC..THydrogen-bonded Turntrans109.6-0.2-173.600000115.3N1171 G1293 V1294N1171-G1173 PolarHBondContact O-N 3.41Å; G1173-G1293 CarbonylContact O-C 3.58Å; G1173-G1293 WeakPolarHBondContact O-CA 3.5Å; G1173-V1294 PolarHBondContact O-N 3.31Å
1174V89Confident92.9Very high15 Ų159.1 Ų9.19%0.0916%0.057CC..SBendtrans-96.7127.4159.9177.10000107.1E1170 S1176 D1178 A1179 L1292 G1293E1170-V1174 HydrophobicContact CB-CB 4.17Å; E1170-V1174 HydrophobicContact CB-CG2 3.92Å; E1170-V1174 HydrophobicContact CG-CG2 4.27Å; V1174-S1176 PolarHBondContact O-N 3.45Å; V1174-D1178 HydrophobicContact CG1-CB 3.81Å; V1174-A1179 HydrophobicContact CG1-CB 4.25Å; V1174-L1292 HydrophobicContact CG1-CB 4.06Å; V1174-L1292 HydrophobicContact CG1-CD1 3.97Å; V1174-L1292 HydrophobicContact CG2-CB 4.06Å; V1174-G1293 WeakPolarHBondContact CA-O 3.33Å
1175H88.6Confident92.8Very high34 Ų3410 Ų1016%0.1576%0.062CC..  trans-56.6136.8177.3-170.8-77000110G1177 D1178 A1179 G1293 V1294 M1296H1175-G1177 WeakPolarHBondContact ND1-CA 3.26Å; H1175-G1177 PolarHBondContact ND1-N 3.02Å; H1175-G1177 CarbonylContact O-C 3.31Å; H1175-G1177 WeakPolarHBondContact O-CA 3.45Å; H1175-G1177 PolarHBondContact O-N 3.11Å; H1175-D1178 PolarHBondContact O-N 2.85Å; H1175-A1179 PolarHBondContact O-N 3.34Å; H1175-G1293 PolarHBondContact N-O 2.96Å; H1175-V1294 PolarHBondContact CD2-O 3.2Å; H1175-M1296 HydrophobicContact CB-CB 4.31Å
1176S87Confident92.5Very high17 Ų1714.5 Ų14.512%0.1198%0.083CC..G310 helixtrans-49.2-38.4178.651.70000113.5D1150 V1174 D1178 A1179 Q1216 K1276D1150-S1176 WeakPolarHBondContact OD2-CB 3.4Å; V1174-S1176 PolarHBondContact O-N 3.45Å; S1176-D1178 PolarHBondContact O-N 2.83Å; S1176-A1179 PolarHBondContact O-N 3.34Å; S1176-Q1216 PolarHBondContact OG-NE2 3.28Å; S1176-K1276 PolarHBondContact O-NZ 3.29Å
1177G88Confident92.1Very high0 Ų019 Ų190%011%0.107CC..G310 helixtrans-1-83.7139.500000119.2H1175 R1235 K1276 S1298H1175-G1177 WeakPolarHBondContact ND1-CA 3.26Å; H1175-G1177 PolarHBondContact ND1-N 3.02Å; H1175-G1177 CarbonylContact O-C 3.31Å; H1175-G1177 WeakPolarHBondContact O-CA 3.45Å; H1175-G1177 PolarHBondContact O-N 3.11Å; G1177-R1235 VanDerWaalsContact C-NH2 3.34Å; G1177-R1235 VanDerWaalsContact CA-NH1 3.32Å; G1177-R1235 VanDerWaalsContact CA-NH2 3.26Å; G1177-R1235 PolarHBondContact O-NH1 3.02Å; G1177-R1235 PolarHBondContact O-NH2 2.81Å; G1177-K1276 PolarHBondContact O-NZ 3.18Å; G1177-S1298 PolarHBondContact O-OG 3.03Å
1178D92.4Very high91.7Very high0 Ų020.5 Ų20.50%012%0.115CC..G310 helixtrans-96.3-1.1-170.5-62.6-10.7000111.3V1174 H1175 S1176 P1278 F1280 L1292 M1296 A1297 S1298V1174-D1178 HydrophobicContact CG1-CB 3.81Å; H1175-D1178 PolarHBondContact O-N 2.85Å; S1176-D1178 PolarHBondContact O-N 2.83Å; D1178-P1278 VanDerWaalsContact O-CG 3.3Å; D1178-P1278 WeakPolarHBondContact O-CG 3.13Å; D1178-F1280 HydrophobicContact CB-CE1 4.03Å; D1178-F1280 HydrophobicContact CB-CZ 3.96Å; D1178-L1292 HydrophobicContact CB-CD1 4.22Å; D1178-L1292 HydrophobicContact CB-CD2 4.17Å; D1178-M1296 VanDerWaalsContact OD1-CG 3.28Å; D1178-M1296 WeakPolarHBondContact OD1-CG 3.39Å; D1178-M1296 WeakPolarHBondContact OD2-CA 3.47Å; D1178-A1297 PolarHBondContact OD1-N 3.37Å; D1178-A1297 PolarHBondContact OD2-N 3.03Å; D1178-S1298 WeakPolarHBondContact OD1-CB 3.41Å; D1178-S1298 PolarHBondContact OD1-N 3.1Å; D1178-S1298 PolarHBondContact OD1-OG 3.16Å
1179A93.7Very high91.2Very high0 Ų024 Ų240%013%0.134CC..SBendtrans-82.4146.5178.700000111.5H1168 E1170 V1174 H1175 S1176 L1181 K1276H1168-A1179 HydrophobicContact CB-CB 4.41Å; H1168-A1179 VanDerWaalsContact ND1-CB 3.29Å; H1168-A1179 WeakPolarHBondContact ND1-CB 3.48Å; E1170-A1179 WeakPolarHBondContact OE2-CA 3.47Å; V1174-A1179 HydrophobicContact CG1-CB 4.25Å; H1175-A1179 PolarHBondContact O-N 3.34Å; S1176-A1179 PolarHBondContact O-N 3.34Å; A1179-L1181 HydrophobicContact CB-CD2 4.27Å; A1179-K1276 PolarHBondContact O-NZ 2.92Å
1180T96.9Very high90.7Very high4 Ų426.7 Ų26.73%0.02516%0.159CC..  trans-79.8121.9165.9-55.50000108.7H1168 V1169 E1170 V1275 K1276 V1277 Y1313H1168-T1180 WeakPolarHBondContact CA-O 3.31Å; V1169-T1180 HydrophobicContact CB-CG2 4.28Å; V1169-T1180 HydrophobicContact CG2-CG2 3.65Å; V1169-T1180 PolarHBondContact N-O 3.16Å; E1170-T1180 VanDerWaalsContact CD-N 3.32Å; E1170-T1180 WeakPolarHBondContact OE1-CB 3.17Å; E1170-T1180 PolarHBondContact OE1-N 3.29Å; E1170-T1180 PolarHBondContact OE1-OG1 3.43Å; E1170-T1180 WeakPolarHBondContact OE2-CB 3.45Å; E1170-T1180 PolarHBondContact OE2-N 3.43Å; T1180-V1275 HydrophobicContact CG2-CG1 3.72Å; T1180-K1276 CarbonylContact C-O 3.58Å; T1180-K1276 WeakPolarHBondContact CA-O 3.44Å; T1180-K1276 WeakPolarHBondContact CG2-O 3.41Å; T1180-V1277 HydrophobicContact CG2-CG2 4.05Å; T1180-Y1313 HydrophobicContact CG2-CD2 3.85Å; T1180-Y1313 HydrophobicContact CG2-CE2 3.82Å
1181L96.7Very high90.3Very high3 Ų333.2 Ų33.22%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-108.3139.6-177.5-57.6-176.5000111.3E1167 H1168 A1179 F1239 V1275 K1276E1167-L1181 WeakPolarHBondContact O-CA 2.98Å; H1168-L1181 WeakPolarHBondContact CD2-CD2 3.3Å; H1168-L1181 WeakPolarHBondContact NE2-CD2 3.07Å; A1179-L1181 HydrophobicContact CB-CD2 4.27Å; L1181-F1239 HydrophobicContact CB-CE1 3.97Å; L1181-V1275 CarbonylContact O-C 3.53Å; L1181-V1275 VanDerWaalsContact O-CA 3.28Å; L1181-V1275 WeakPolarHBondContact O-CA 3.37Å; L1181-K1276 HydrophobicContact CB-CB 4.34Å; L1181-K1276 HydrophobicContact CB-CD 4.21Å; L1181-K1276 HydrophobicContact CD1-CD 3.98Å; L1181-K1276 HydrophobicContact CG-CD 3.91Å; L1181-K1276 PolarHBondContact N-O 3Å; L1181-K1276 PolarHBondContact O-N 2.87Å
1182V97.4Very high90.2Very high1 Ų132.2 Ų32.21%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-117.1125.5174.1-172.70000110.3S1166 E1167 V1169 Q1186 V1273 V1275 R1309S1166-V1182 WeakPolarHBondContact CA-O 3.37Å; E1167-V1182 HydrophobicContact CG-CB 3.86Å; E1167-V1182 HydrophobicContact CG-CG2 4.4Å; E1167-V1182 PolarHBondContact N-O 3.3Å; E1167-V1182 VanDerWaalsContact N-O 3.14Å; E1167-V1182 PolarHBondContact O-N 3.25Å; V1169-V1182 HydrophobicContact CG2-CG2 3.89Å; V1182-Q1186 HydrophobicContact CG1-CB 4.48Å; V1182-Q1186 HydrophobicContact CG1-CG 3.94Å; V1182-V1273 HydrophobicContact CG1-CG1 3.7Å; V1182-V1275 HydrophobicContact CG1-CG2 4.29Å; V1182-V1275 HydrophobicContact CG2-CG2 4.17Å; V1182-R1309 HydrophobicContact CG1-CB 3.89Å
1183T96.9Very high90.3Very high0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-138.6133.7-178.4-50.70000111.3S1166 F1239 V1240 T1243 L1244 G1274S1166-T1183 WeakPolarHBondContact CB-OG1 2.84Å; S1166-T1183 PolarHBondContact OG-OG1 3.2Å; T1183-F1239 WeakPolarHBondContact OG1-CE1 3.22Å; T1183-V1240 HydrophobicContact CG2-CG1 4.27Å; T1183-T1243 HydrophobicContact CG2-CG2 4.4Å; T1183-T1243 VanDerWaalsContact O-CG2 3.26Å; T1183-T1243 WeakPolarHBondContact O-CG2 3.4Å; T1183-L1244 HydrophobicContact CG2-CD1 4.42Å; T1183-L1244 HydrophobicContact CG2-CD2 4.07Å; T1183-L1244 HydrophobicContact CG2-CG 4.26Å; T1183-G1274 PolarHBondContact N-O 3.35Å; T1183-G1274 PolarHBondContact O-N 3.08Å
1184P94.5Very high90.5Very high11 Ų1137.6 Ų37.67%0.07120%0.204CC..SBendcis-55.8160.5-17.6-20.632.4000111.9Q1186 L1244P1184-Q1186 PolarHBondContact O-NE2 2.89Å; P1184-L1244 HydrophobicContact CG-CD2 3.87Å
1185P92.6Very high90.6Very high19 Ų1938 Ų3812%0.12321%0.208CC..  trans-65.1140.4-178.129.9-32.4000110.1V1165 E1167 L1188 L1193V1165-P1185 HydrophobicContact CB-CG 4.32Å; V1165-P1185 HydrophobicContact CG1-CG 4.08Å; V1165-P1185 WeakPolarHBondContact O-CD 3.48Å; E1167-P1185 HydrophobicContact CB-CB 4.37Å; E1167-P1185 HydrophobicContact CG-CB 4.2Å; P1185-L1188 HydrophobicContact CB-CB 4.24Å; P1185-L1188 HydrophobicContact CB-CD1 3.66Å; P1185-L1188 HydrophobicContact CB-CG 3.93Å; P1185-L1188 HydrophobicContact CG-CD1 4.06Å; P1185-L1193 HydrophobicContact CG-CD1 4.32Å
1186Q90.8Very high90.8Very high95 Ų9536.3 Ų36.344%0.44420%0.201SC..SBendtrans-112.1-15-176.4-64.4-66.5-72.100112.6E1167 V1182 P1184 V1273 R1309E1167-Q1186 PolarHBondContact OE1-N 2.83Å; V1182-Q1186 HydrophobicContact CG1-CB 4.48Å; V1182-Q1186 HydrophobicContact CG1-CG 3.94Å; P1184-Q1186 PolarHBondContact O-NE2 2.89Å; Q1186-V1273 HydrophobicContact CG-CG1 4.14Å; Q1186-V1273 HydrophobicContact CG-CG2 4.15Å; Q1186-R1309 HydrophobicContact CG-CB 4.21Å
1187D86.7Confident91.1Very high94 Ų9438.8 Ų38.850%0.50321%0.209SC..SBendtrans-127.736.5-176.8-176.847.4000112K1147 E1167 R1309K1147-D1187 VanDerWaalsContact NZ-CG 3.32Å; K1147-D1187 PolarHBondContact NZ-O 2.78Å; K1147-D1187 IonicContact NZ-OD2 3.46Å; K1147-D1187 PolarHBondContact NZ-OD2 3.01Å; E1167-D1187 PolarHBondContact OE1-N 2.89Å; E1167-D1187 WeakPolarHBondContact OE2-CB 3.19Å; E1167-D1187 PolarHBondContact OE2-N 3.05Å; D1187-R1309 VanDerWaalsContact CB-NH1 3.31Å
1188L87.4Confident91.3Very high37 Ų3746.3 Ų46.319%0.19424%0.238CC..  trans-119.2138.2167.5-63.1-178.2000109.7K1147 I1149 V1165 P1185 T1192 I1196K1147-L1188 HydrophobicContact CD-CD2 3.9Å; I1149-L1188 HydrophobicContact CD1-CD1 3.92Å; I1149-L1188 HydrophobicContact CD1-CD2 3.85Å; I1149-L1188 HydrophobicContact CG1-CD1 4.34Å; I1149-L1188 HydrophobicContact CG1-CD2 4.46Å; I1149-L1188 HydrophobicContact CG2-CD1 4.43Å; V1165-L1188 HydrophobicContact CG1-CD1 4.07Å; P1185-L1188 HydrophobicContact CB-CB 4.24Å; P1185-L1188 HydrophobicContact CB-CD1 3.66Å; P1185-L1188 HydrophobicContact CB-CG 3.93Å; P1185-L1188 HydrophobicContact CG-CD1 4.06Å; L1188-T1192 HydrophobicContact CD2-CG2 4.45Å; L1188-I1196 HydrophobicContact CD1-CD1 4.11Å
1189N85Confident91.4Very high75 Ų7547 Ų4740%0.40124%0.241SC..  trans-82161.3174.766.833.6000111.6E1191 T1192 L1193N1189-E1191 VanDerWaalsContact C-N 3.3Å; N1189-E1191 PolarHBondContact O-N 3.1Å; N1189-E1191 PolarHBondContact OD1-N 2.92Å; N1189-T1192 PolarHBondContact O-N 3.43Å; N1189-T1192 WeakPolarHBondContact OD1-CB 3.22Å; N1189-T1192 PolarHBondContact OD1-N 2.81Å; N1189-T1192 PolarHBondContact OD1-OG1 3.03Å; N1189-L1193 PolarHBondContact O-N 3.47Å
1190A84.4Confident91.4Very high81 Ų8147 Ų4767%0.66924%0.241SC*.Hα-helixtrans-61.9-34.4-177.300000113.5L1193 E1194A1190-L1193 PolarHBondContact O-N 3.49Å; A1190-E1194 PolarHBondContact O-N 3.46Å
1191E85.9Confident91.2Very high144 Ų14449.3 Ų49.367%0.67326%0.257SS*.Hα-helixtrans-63.3-44177-176.2-177.9-175.400111.7N1189 L1193 E1194 A1195N1189-E1191 VanDerWaalsContact C-N 3.3Å; N1189-E1191 PolarHBondContact O-N 3.1Å; N1189-E1191 PolarHBondContact OD1-N 2.92Å; E1191-L1193 VanDerWaalsContact C-N 3.34Å; E1191-E1194 PolarHBondContact O-N 3.12Å; E1191-A1195 WeakPolarHBondContact O-CB 3.46Å; E1191-A1195 PolarHBondContact O-N 3.44Å
1192T88Confident90.8Very high18 Ų1852.1 Ų52.111%0.1127%0.272CS..Hα-helixtrans-64.3-43176-55.80000110L1188 N1189 E1194 A1195 I1196 L1224L1188-T1192 HydrophobicContact CD2-CG2 4.45Å; N1189-T1192 PolarHBondContact O-N 3.43Å; N1189-T1192 WeakPolarHBondContact OD1-CB 3.22Å; N1189-T1192 PolarHBondContact OD1-N 2.81Å; N1189-T1192 PolarHBondContact OD1-OG1 3.03Å; T1192-E1194 PolarHBondContact O-N 3.15Å; T1192-A1195 PolarHBondContact O-N 2.91Å; T1192-I1196 HydrophobicContact CG2-CD1 4.2Å; T1192-I1196 VanDerWaalsContact O-CG1 3.25Å; T1192-I1196 WeakPolarHBondContact O-CG1 3.39Å; T1192-I1196 PolarHBondContact O-N 2.7Å; T1192-L1224 HydrophobicContact CG2-CD1 4.22Å; T1192-L1224 HydrophobicContact CG2-CD2 3.96Å; T1192-L1224 HydrophobicContact CG2-CG 4.37Å
1193L89.1Confident90.5Very high28 Ų2852.1 Ų52.115%0.14727%0.272CS..Hα-helixtrans-62.5-41.6179.5-167.864.5000112.5V1165 P1185 N1189 A1190 E1191 I1196 K1197 L1267V1165-L1193 HydrophobicContact CB-CD1 4.18Å; V1165-L1193 HydrophobicContact CG1-CD1 4.2Å; V1165-L1193 HydrophobicContact CG2-CD1 4.03Å; P1185-L1193 HydrophobicContact CG-CD1 4.32Å; N1189-L1193 PolarHBondContact O-N 3.47Å; A1190-L1193 PolarHBondContact O-N 3.49Å; E1191-L1193 VanDerWaalsContact C-N 3.34Å; L1193-I1196 WeakPolarHBondContact O-CB 3.08Å; L1193-I1196 PolarHBondContact O-N 3.49Å; L1193-K1197 PolarHBondContact O-N 2.92Å; L1193-L1267 HydrophobicContact CD1-CD1 4.12Å; L1193-L1267 HydrophobicContact CD1-CD2 4.02Å; L1193-L1267 HydrophobicContact CD1-CG 4.26Å; L1193-L1267 HydrophobicContact CD2-CD2 3.71Å; L1193-L1267 HydrophobicContact CD2-CG 4.14Å; L1193-L1267 HydrophobicContact CG-CD2 3.77Å; L1193-L1267 HydrophobicContact CG-CG 4.42Å
1194E89.7Confident90.3Very high114 Ų11452.1 Ų52.153%0.53327%0.272SS..Hα-helixtrans-67.8-37.9175.3-170.957.4-147.200111.7A1190 E1191 T1192 I1196 K1197 R1198A1190-E1194 PolarHBondContact O-N 3.46Å; E1191-E1194 PolarHBondContact O-N 3.12Å; T1192-E1194 PolarHBondContact O-N 3.15Å; E1194-I1196 VanDerWaalsContact C-N 3.35Å; E1194-I1196 PolarHBondContact O-N 2.85Å; E1194-K1197 PolarHBondContact O-N 3.31Å; E1194-R1198 PolarHBondContact O-N 3.31Å
1195A90.7Very high90Very high22 Ų2254.2 Ų54.218%0.18229%0.287CS..Hα-helixtrans-64.5-38.6174.400000112.2E1191 T1192 I1199 L1224E1191-A1195 WeakPolarHBondContact O-CB 3.46Å; E1191-A1195 PolarHBondContact O-N 3.44Å; T1192-A1195 PolarHBondContact O-N 2.91Å; A1195-I1199 WeakPolarHBondContact O-CD1 3.48Å; A1195-I1199 VanDerWaalsContact O-CG1 3.25Å; A1195-I1199 WeakPolarHBondContact O-CG1 3.49Å; A1195-I1199 PolarHBondContact O-N 2.77Å; A1195-L1224 HydrophobicContact CB-CD1 3.61Å
1196I93.5Very high89.6Confident0 Ų054.6 Ų54.60%029%0.289CS..Hα-helixtrans-59.1-53.3171.7-66.9166.1000109.6I1149 V1151 M1163 V1165 L1188 T1192 L1193 E1194 R1198 I1199 T1200 L1217 L1224I1149-I1196 HydrophobicContact CD1-CD1 3.85Å; I1149-I1196 HydrophobicContact CG2-CD1 3.93Å; V1151-I1196 HydrophobicContact CG2-CG2 3.57Å; M1163-I1196 HydrophobicContact CE-CG2 4.43Å; V1165-I1196 HydrophobicContact CG1-CD1 4.07Å; V1165-I1196 HydrophobicContact CG2-CG2 4Å; L1188-I1196 HydrophobicContact CD1-CD1 4.11Å; T1192-I1196 HydrophobicContact CG2-CD1 4.2Å; T1192-I1196 VanDerWaalsContact O-CG1 3.25Å; T1192-I1196 WeakPolarHBondContact O-CG1 3.39Å; T1192-I1196 PolarHBondContact O-N 2.7Å; L1193-I1196 WeakPolarHBondContact O-CB 3.08Å; L1193-I1196 PolarHBondContact O-N 3.49Å; E1194-I1196 VanDerWaalsContact C-N 3.35Å; E1194-I1196 PolarHBondContact O-N 2.85Å; I1196-R1198 VanDerWaalsContact C-N 3.3Å; I1196-R1198 PolarHBondContact O-N 3.23Å; I1196-I1199 PolarHBondContact O-N 3.28Å; I1196-I1199 VanDerWaalsContact O-N 3.07Å; I1196-T1200 PolarHBondContact O-N 2.9Å; I1196-T1200 PolarHBondContact O-OG1 2.71Å; I1196-L1217 HydrophobicContact CB-CD1 4.35Å; I1196-L1217 HydrophobicContact CG1-CD1 3.96Å; I1196-L1217 HydrophobicContact CG2-CD1 3.85Å; I1196-L1224 HydrophobicContact CG1-CD1 3.64Å; I1196-L1224 HydrophobicContact CG1-CD2 4.32Å
1197K92Very high89.4Confident69 Ų6950.1 Ų50.130%0.327%0.268SS..Hα-helixtrans-53.9-45.5179.9-176175.3-176.8175.80112.3M1163 L1193 E1194 T1200 C1201M1163-K1197 HydrophobicContact CE-CB 4.29Å; M1163-K1197 HydrophobicContact SD-CB 4.26Å; M1163-K1197 HydrophobicContact SD-CG 3.89Å; L1193-K1197 PolarHBondContact O-N 2.92Å; E1194-K1197 PolarHBondContact O-N 3.31Å; K1197-T1200 PolarHBondContact O-N 3.16Å; K1197-C1201 PolarHBondContact O-N 3.43Å; K1197-C1201 PolarHBondContact O-SG 3.39Å
1198R92.5Very high89.3Confident157 Ų15746.8 Ų46.859%0.59225%0.25SS*.Hα-helixtrans-60.2-49.3175.4-176.4179.563.2-163-4.6112E1194 I1196 T1200 C1201 D1202E1194-R1198 PolarHBondContact O-N 3.31Å; I1196-R1198 VanDerWaalsContact C-N 3.3Å; I1196-R1198 PolarHBondContact O-N 3.23Å; R1198-T1200 VanDerWaalsContact C-N 3.32Å; R1198-T1200 PolarHBondContact O-N 2.88Å; R1198-C1201 PolarHBondContact O-N 2.87Å; R1198-D1202 PolarHBondContact O-N 3.06Å
1199I94.3Very high89.6Confident16 Ų1645 Ų458%0.08224%0.241CC..Hα-helixtrans-61.5-41.9179.2-65.6165.1000110.6I1074 A1195 I1196 D1202 L1203 M1215 L1217 L1224 V1226I1074-I1199 HydrophobicContact CG2-CG2 3.89Å; A1195-I1199 WeakPolarHBondContact O-CD1 3.48Å; A1195-I1199 VanDerWaalsContact O-CG1 3.25Å; A1195-I1199 WeakPolarHBondContact O-CG1 3.49Å; A1195-I1199 PolarHBondContact O-N 2.77Å; I1196-I1199 PolarHBondContact O-N 3.28Å; I1196-I1199 VanDerWaalsContact O-N 3.07Å; I1199-D1202 PolarHBondContact O-N 3.27Å; I1199-L1203 VanDerWaalsContact O-CB 3.31Å; I1199-L1203 WeakPolarHBondContact O-CB 3.43Å; I1199-L1203 PolarHBondContact O-N 2.89Å; I1199-M1215 HydrophobicContact CG2-CE 3.81Å; I1199-L1217 HydrophobicContact CD1-CD2 4.33Å; I1199-L1217 HydrophobicContact CG2-CD2 4.24Å; I1199-L1224 HydrophobicContact CD1-CB 3.76Å; I1199-L1224 HydrophobicContact CD1-CD1 3.96Å; I1199-V1226 HydrophobicContact CG2-CG2 3.67Å
1200T94.9Very high90.1Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-61.7-46177.5-55.90000111.7V1151 A1153 I1160 I1196 K1197 R1198 L1203 A1204 F1213 M1215V1151-T1200 HydrophobicContact CG1-CG2 4.18Å; A1153-T1200 HydrophobicContact CB-CG2 4.11Å; I1160-T1200 HydrophobicContact CD1-CG2 3.92Å; I1160-T1200 HydrophobicContact CG1-CG2 4.48Å; I1196-T1200 PolarHBondContact O-N 2.9Å; I1196-T1200 PolarHBondContact O-OG1 2.71Å; K1197-T1200 PolarHBondContact O-N 3.16Å; R1198-T1200 VanDerWaalsContact C-N 3.32Å; R1198-T1200 PolarHBondContact O-N 2.88Å; T1200-L1203 PolarHBondContact O-N 2.96Å; T1200-A1204 WeakPolarHBondContact O-CB 3.26Å; T1200-A1204 PolarHBondContact O-N 2.83Å; T1200-F1213 HydrophobicContact CG2-CE2 4.01Å; T1200-F1213 HydrophobicContact CG2-CZ 3.67Å; T1200-M1215 HydrophobicContact CG2-SD 3.9Å; T1200-M1215 PolarHBondContact OG1-SD 3.11Å
1201C92.2Very high90.6Very high52 Ų5238.4 Ų38.435%0.35120%0.195SC..Hα-helixtrans-61.4-44.8174.5-73.60000112.1K1197 R1198 L1203 S1205K1197-C1201 PolarHBondContact O-N 3.43Å; K1197-C1201 PolarHBondContact O-SG 3.39Å; R1198-C1201 PolarHBondContact O-N 2.87Å; C1201-L1203 VanDerWaalsContact C-N 3.33Å; C1201-L1203 PolarHBondContact O-N 3.31Å; C1201-S1205 WeakPolarHBondContact O-CB 3.47Å; C1201-S1205 PolarHBondContact O-N 3.2Å
1202D89.3Confident91.2Very high61 Ų6131.6 Ų31.633%0.32616%0.163SC..Hα-helixtrans-61.6-43.7178.2-75.7-30.2000111.1I1074 R1198 I1199 S1205 V1206I1074-D1202 HydrophobicContact CD1-CB 3.99Å; R1198-D1202 PolarHBondContact O-N 3.06Å; I1199-D1202 PolarHBondContact O-N 3.27Å; D1202-S1205 PolarHBondContact O-N 3.48Å; D1202-V1206 WeakPolarHBondContact O-CG2 3.36Å; D1202-V1206 PolarHBondContact O-N 3.1Å
1203L91.2Very high91.6Very high1 Ų130.8 Ų30.81%0.00516%0.158CC..Hα-helixtrans-68.1-45.4-178.1-16561.9000112.1F1065 M1068 L1069 I1199 T1200 C1201 S1205 V1206 L1207 M1215 C1229F1065-L1203 HydrophobicContact CE2-CD1 4.04Å; F1065-L1203 HydrophobicContact CZ-CD1 4.48Å; M1068-L1203 HydrophobicContact CE-CD1 3.55Å; L1069-L1203 HydrophobicContact CD2-CD1 3.65Å; I1199-L1203 VanDerWaalsContact O-CB 3.31Å; I1199-L1203 WeakPolarHBondContact O-CB 3.43Å; I1199-L1203 PolarHBondContact O-N 2.89Å; T1200-L1203 PolarHBondContact O-N 2.96Å; C1201-L1203 VanDerWaalsContact C-N 3.33Å; C1201-L1203 PolarHBondContact O-N 3.31Å; L1203-S1205 VanDerWaalsContact C-N 3.29Å; L1203-S1205 PolarHBondContact O-N 3.12Å; L1203-V1206 PolarHBondContact O-N 3.45Å; L1203-L1207 HydrophobicContact CD1-CD1 4.22Å; L1203-L1207 HydrophobicContact CG-CD1 4.1Å; L1203-L1207 WeakPolarHBondContact O-CB 3.3Å; L1203-L1207 PolarHBondContact O-N 3.33Å; L1203-M1215 HydrophobicContact CD2-CB 4.07Å; L1203-M1215 HydrophobicContact CD2-CE 4.17Å; L1203-M1215 HydrophobicContact CD2-SD 4.09Å; L1203-C1229 HydrophobicContact CD2-CB 3.75Å
1204A92.3Very high91.9Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-58.6-42174.500000111.5A1155 G1158 I1160 T1200 D1208 V1209 F1213A1155-A1204 HydrophobicContact CB-CB 4.08Å; G1158-A1204 WeakPolarHBondContact CA-O 3.14Å; G1158-A1204 WeakPolarHBondContact O-CB 3.2Å; I1160-A1204 HydrophobicContact CD1-CB 3.54Å; T1200-A1204 WeakPolarHBondContact O-CB 3.26Å; T1200-A1204 PolarHBondContact O-N 2.83Å; A1204-D1208 WeakPolarHBondContact O-CA 3.22Å; A1204-D1208 PolarHBondContact O-N 2.8Å; A1204-V1209 PolarHBondContact O-N 2.66Å; A1204-F1213 HydrophobicContact CB-CE1 4.05Å; A1204-F1213 HydrophobicContact CB-CZ 3.8Å
1205S86.8Confident92.2Very high55 Ų5524.2 Ų24.239%0.38513%0.127SC..Hα-helixtrans-64.2-39.3176.4178.50000112.7G1158 C1201 D1202 L1203 D1208G1158-S1205 PolarHBondContact O-N 2.89Å; C1201-S1205 WeakPolarHBondContact O-CB 3.47Å; C1201-S1205 PolarHBondContact O-N 3.2Å; D1202-S1205 PolarHBondContact O-N 3.48Å; L1203-S1205 VanDerWaalsContact C-N 3.29Å; L1203-S1205 PolarHBondContact O-N 3.12Å; S1205-D1208 PolarHBondContact O-N 3.48Å
1206V84.3Confident92.3Very high28 Ų2823.8 Ų23.817%0.1712%0.121CC..Hα-helixtrans-78-36.9-175.3-177.10000112.2M1068 K1072 D1202 L1203M1068-V1206 HydrophobicContact CG-CB 4.4Å; M1068-V1206 HydrophobicContact CG-CG1 3.22Å; M1068-V1206 HydrophobicContact SD-CB 4.26Å; M1068-V1206 HydrophobicContact SD-CG1 3.48Å; M1068-V1206 WeakPolarHBondContact SD-CG1 3.27Å; K1072-V1206 HydrophobicContact CD-CG2 3.47Å; K1072-V1206 VanDerWaalsContact CD-CG2 3.47Å; K1072-V1206 VanDerWaalsContact CE-CG2 3.48Å; K1072-V1206 HydrophobicContact CG-CG1 4.41Å; K1072-V1206 HydrophobicContact CG-CG2 3.5Å; K1072-V1206 VanDerWaalsContact CG-CG2 3.5Å; D1202-V1206 WeakPolarHBondContact O-CG2 3.36Å; D1202-V1206 PolarHBondContact O-N 3.1Å; L1203-V1206 PolarHBondContact O-N 3.45Å
1207L87.8Confident92.4Very high1 Ų123.8 Ų23.81%0.00512%0.121CC..Hα-helixtrans-81.1-6.6172.5-70.3172000112.1S1055 C1058 A1059 M1068 L1203 V1209 C1229 V1231S1055-L1207 WeakPolarHBondContact CB-O 3.44Å; S1055-L1207 PolarHBondContact OG-O 2.83Å; C1058-L1207 HydrophobicContact CB-CD2 4.27Å; A1059-L1207 HydrophobicContact CB-CD1 4.1Å; A1059-L1207 HydrophobicContact CB-CD2 3.98Å; M1068-L1207 HydrophobicContact CE-CD1 4.32Å; M1068-L1207 HydrophobicContact CE-CD2 3.93Å; M1068-L1207 HydrophobicContact CE-CG 3.96Å; M1068-L1207 HydrophobicContact SD-CD2 3.48Å; M1068-L1207 WeakPolarHBondContact SD-CD2 3.44Å; M1068-L1207 HydrophobicContact SD-CG 3.84Å; L1203-L1207 HydrophobicContact CD1-CD1 4.22Å; L1203-L1207 HydrophobicContact CG-CD1 4.1Å; L1203-L1207 WeakPolarHBondContact O-CB 3.3Å; L1203-L1207 PolarHBondContact O-N 3.33Å; L1207-V1209 VanDerWaalsContact C-N 3.27Å; L1207-V1209 HydrophobicContact CB-CG2 3.59Å; L1207-V1209 PolarHBondContact O-N 3Å; L1207-C1229 HydrophobicContact CD1-CB 4.26Å; L1207-V1231 HydrophobicContact CD1-CG2 3.96Å
1208D84.2Confident92.4Very high24 Ų2421.2 Ų21.213%0.12811%0.11CC..THydrogen-bonded Turntrans50.549.6-179.3-156.46.5000111.2A1204 S1205 K1947 R1949A1204-D1208 WeakPolarHBondContact O-CA 3.22Å; A1204-D1208 PolarHBondContact O-N 2.8Å; S1205-D1208 PolarHBondContact O-N 3.48Å; D1208-K1947 IonicContact OD1-NZ 3.34Å; D1208-K1947 VanDerWaalsContact OD2-CE 3.32Å; D1208-K1947 WeakPolarHBondContact OD2-CE 3.46Å; D1208-K1947 IonicContact OD2-NZ 3.29Å; D1208-K1947 PolarHBondContact OD2-NZ 2.96Å; D1208-R1949 IonicContact OD1-NH2 3.77Å; D1208-R1949 IonicContact OD2-NH2 2.62Å
1209V93.6Very high92.4Very high0 Ų014.6 Ų14.60%09%0.089CC..  trans-70.8129.7-169.7-179.10000110.6A1155 D1157 G1158 A1204 L1207 F1213 V1231A1155-V1209 CarbonylContact C-O 3.56Å; A1155-V1209 HydrophobicContact CB-CB 4Å; A1155-V1209 HydrophobicContact CB-CG1 4.07Å; A1155-V1209 WeakPolarHBondContact CB-O 3.48Å; D1157-V1209 PolarHBondContact N-O 2.97Å; G1158-V1209 PolarHBondContact N-O 3.07Å; A1204-V1209 PolarHBondContact O-N 2.66Å; L1207-V1209 VanDerWaalsContact C-N 3.27Å; L1207-V1209 HydrophobicContact CB-CG2 3.59Å; L1207-V1209 PolarHBondContact O-N 3Å; V1209-F1213 HydrophobicContact CB-CD1 4.38Å; V1209-F1213 HydrophobicContact CG1-CB 4.14Å; V1209-F1213 HydrophobicContact CG1-CD1 3.67Å; V1209-F1213 HydrophobicContact CG1-CE1 4.4Å; V1209-F1213 HydrophobicContact CG1-CG 4.14Å; V1209-V1231 HydrophobicContact CB-CG1 4.49Å; V1209-V1231 HydrophobicContact CG1-CG1 3.93Å; V1209-V1231 HydrophobicContact CG2-CG1 3.96Å
1210T94.6Very high92.1Very high17 Ų1717 Ų1710%0.10410%0.099CC..  trans-126.1115.1166.7-640000108.5G1050 T1051 A1155 D1157 A1255G1050-T1210 CarbonylContact C-O 3.52Å; G1050-T1210 VanDerWaalsContact C-O 3.24Å; G1050-T1210 VanDerWaalsContact CA-O 3.29Å; G1050-T1210 WeakPolarHBondContact CA-O 3.42Å; T1051-T1210 PolarHBondContact N-O 3.24Å; T1051-T1210 PolarHBondContact OG1-N 3.32Å; T1051-T1210 PolarHBondContact OG1-O 3.03Å; A1155-T1210 CarbonylContact O-C 3.52Å; A1155-T1210 WeakPolarHBondContact O-CA 3.44Å; D1157-T1210 PolarHBondContact N-OG1 3.13Å; T1210-A1255 HydrophobicContact CG2-CB 4.47Å; T1210-A1255 WeakPolarHBondContact CG2-O 3.47Å
1211G96.3Very high91.5Very high0 Ų024 Ų240%014%0.136CC..EExtended strand (participates in β ladder)trans105.7-155.8-17100000112.9V1154 A1155V1154-G1211 WeakPolarHBondContact CA-O 3.43Å; A1155-G1211 PolarHBondContact N-O 2.99Å; A1155-G1211 PolarHBondContact O-N 2.88Å
1212P97.5Very high90.7Very high1 Ų127.3 Ų27.31%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-84.3147.4-17233.6-30000111.5M1029 V1231 R1232 V1233 F1237 A1252M1029-P1212 HydrophobicContact CE-CG 4.3Å; P1212-V1231 CarbonylContact O-C 3.6Å; P1212-R1232 PolarHBondContact O-N 2.77Å; P1212-V1233 HydrophobicContact CB-CG1 3.68Å; P1212-V1233 HydrophobicContact CG-CG1 3.55Å; P1212-F1237 HydrophobicContact CB-CE1 3.58Å; P1212-F1237 HydrophobicContact CB-CE2 4.47Å; P1212-F1237 HydrophobicContact CB-CZ 3.5Å; P1212-A1252 HydrophobicContact CB-CB 4.13Å; P1212-A1252 HydrophobicContact CG-CB 4.24Å
1213F97.2Very high90.6Very high0 Ų028.9 Ų28.90%016%0.156CC..EExtended strand (participates in β ladder)trans-148.8156.9165.871.8-74.4000110.8A1153 A1155 I1160 T1200 A1204 V1209 M1215 N1230 V1231 R1232A1153-F1213 HydrophobicContact CB-CD1 4.06Å; A1153-F1213 HydrophobicContact CB-CE1 3.38Å; A1153-F1213 HydrophobicContact CB-CE2 4.16Å; A1153-F1213 HydrophobicContact CB-CZ 3.44Å; A1153-F1213 VanDerWaalsContact CB-CZ 3.44Å; A1153-F1213 PolarHBondContact N-O 2.9Å; A1153-F1213 WeakPolarHBondContact O-CD1 3.21Å; A1153-F1213 PolarHBondContact O-N 3.19Å; A1153-F1213 VanDerWaalsContact O-O 3.06Å; A1155-F1213 HydrophobicContact CB-CD1 4.47Å; A1155-F1213 HydrophobicContact CB-CE1 3.98Å; I1160-F1213 HydrophobicContact CD1-CE1 3.78Å; I1160-F1213 HydrophobicContact CD1-CZ 3.61Å; T1200-F1213 HydrophobicContact CG2-CE2 4.01Å; T1200-F1213 HydrophobicContact CG2-CZ 3.67Å; A1204-F1213 HydrophobicContact CB-CE1 4.05Å; A1204-F1213 HydrophobicContact CB-CZ 3.8Å; V1209-F1213 HydrophobicContact CB-CD1 4.38Å; V1209-F1213 HydrophobicContact CG1-CB 4.14Å; V1209-F1213 HydrophobicContact CG1-CD1 3.67Å; V1209-F1213 HydrophobicContact CG1-CE1 4.4Å; V1209-F1213 HydrophobicContact CG1-CG 4.14Å; F1213-M1215 HydrophobicContact CE2-SD 4.4Å; F1213-N1230 CarbonylContact C-O 3.58Å; F1213-N1230 VanDerWaalsContact CA-O 3.24Å; F1213-N1230 WeakPolarHBondContact CA-O 3.48Å; F1213-N1230 WeakPolarHBondContact CB-O 3.28Å; F1213-V1231 HydrophobicContact CB-CG1 4.34Å; F1213-R1232 WeakPolarHBondContact CA-O 3.5Å
1214N95.9Very high90.6Very high4 Ų429.6 Ų29.62%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-125.8140.1174.4164.3-92000109.3V1151 D1152 C1229 N1230V1151-N1214 CarbonylContact O-C 3.58Å; V1151-N1214 WeakPolarHBondContact O-CA 3.49Å; D1152-N1214 PolarHBondContact OD1-ND2 3.48Å; N1214-C1229 CarbonylContact O-C 3.46Å; N1214-C1229 VanDerWaalsContact O-CA 3.29Å; N1214-C1229 WeakPolarHBondContact O-CA 3.3Å; N1214-N1230 PolarHBondContact N-O 3.46Å; N1214-N1230 PolarHBondContact O-N 2.9Å
1215M94.3Very high90.7Very high0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-133.9145.5176.662.7174.5-70.100110.8V1151 I1199 T1200 L1203 F1213 L1217 V1226 E1228 C1229V1151-M1215 HydrophobicContact CB-CG 3.57Å; V1151-M1215 HydrophobicContact CB-SD 4.24Å; V1151-M1215 HydrophobicContact CG1-CG 4.28Å; V1151-M1215 HydrophobicContact CG1-SD 4.48Å; V1151-M1215 HydrophobicContact CG2-CG 4.13Å; V1151-M1215 PolarHBondContact N-O 3.15Å; V1151-M1215 PolarHBondContact O-N 3.28Å; I1199-M1215 HydrophobicContact CG2-CE 3.81Å; T1200-M1215 HydrophobicContact CG2-SD 3.9Å; T1200-M1215 PolarHBondContact OG1-SD 3.11Å; L1203-M1215 HydrophobicContact CD2-CB 4.07Å; L1203-M1215 HydrophobicContact CD2-CE 4.17Å; L1203-M1215 HydrophobicContact CD2-SD 4.09Å; F1213-M1215 HydrophobicContact CE2-SD 4.4Å; M1215-L1217 HydrophobicContact CE-CD1 3.59Å; M1215-L1217 HydrophobicContact CE-CD2 3.73Å; M1215-L1217 HydrophobicContact CE-CG 3.62Å; M1215-V1226 HydrophobicContact CE-CG2 4.25Å; M1215-E1228 WeakPolarHBondContact CA-O 3.35Å; M1215-C1229 HydrophobicContact CB-CB 4.44Å
1216Q93.6Very high91.1Very high14 Ų1429.1 Ų29.17%0.06515%0.151CC..EExtended strand (participates in β ladder)trans-114.7134.1179.7-74.1166.810.500110.3I1149 D1150 S1176 I1227 E1228I1149-Q1216 WeakPolarHBondContact O-CA 3.4Å; D1150-Q1216 WeakPolarHBondContact OD1-CG 3.3Å; S1176-Q1216 PolarHBondContact OG-NE2 3.28Å; Q1216-I1227 HydrophobicContact CB-CB 4.08Å; Q1216-I1227 HydrophobicContact CB-CD1 4.09Å; Q1216-I1227 HydrophobicContact CB-CG1 4.34Å; Q1216-I1227 PolarHBondContact O-N 3.06Å; Q1216-E1228 HydrophobicContact CB-CG 4.04Å; Q1216-E1228 HydrophobicContact CG-CG 4.28Å; Q1216-E1228 PolarHBondContact N-O 2.69Å; Q1216-E1228 PolarHBondContact NE2-OE1 3.46Å; Q1216-E1228 VanDerWaalsContact OE1-CD 3.26Å; Q1216-E1228 VanDerWaalsContact OE1-CG 3.24Å; Q1216-E1228 PolarHBondContact OE1-OE1 2.88Å
1217L94.9Very high91.3Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-125.8145.3-177.4-69.7157.1000110.4E1148 I1149 V1151 I1196 I1199 M1215 K1225 V1226E1148-L1217 CarbonylContact C-O 3.51Å; E1148-L1217 WeakPolarHBondContact CA-O 3.5Å; I1149-L1217 HydrophobicContact CB-CB 4.23Å; I1149-L1217 PolarHBondContact N-O 2.78Å; I1149-L1217 PolarHBondContact O-N 3.02Å; V1151-L1217 HydrophobicContact CG2-CD1 3.89Å; I1196-L1217 HydrophobicContact CB-CD1 4.35Å; I1196-L1217 HydrophobicContact CG1-CD1 3.96Å; I1196-L1217 HydrophobicContact CG2-CD1 3.85Å; I1199-L1217 HydrophobicContact CD1-CD2 4.33Å; I1199-L1217 HydrophobicContact CG2-CD2 4.24Å; M1215-L1217 HydrophobicContact CE-CD1 3.59Å; M1215-L1217 HydrophobicContact CE-CD2 3.73Å; M1215-L1217 HydrophobicContact CE-CG 3.62Å; L1217-K1225 CarbonylContact C-O 3.18Å; L1217-K1225 WeakPolarHBondContact CA-O 3.32Å; L1217-V1226 HydrophobicContact CD2-CB 4.35Å; L1217-V1226 HydrophobicContact CD2-CG2 3.54Å
1218I93.2Very high91.4Very high15 Ų1530.2 Ų30.28%0.07716%0.155CC..EExtended strand (participates in β ladder)trans-106.3123.9168.1-63.5179.1000108.6P1077 L1143 A1146 K1147 A1172 L1224 K1225 I1227P1077-I1218 HydrophobicContact CG-CD1 4.49Å; L1143-I1218 HydrophobicContact CB-CD1 4.41Å; L1143-I1218 HydrophobicContact CB-CG2 4.36Å; L1143-I1218 HydrophobicContact CD1-CB 4.43Å; L1143-I1218 HydrophobicContact CD1-CD1 4.19Å; L1143-I1218 HydrophobicContact CD1-CG2 3.92Å; A1146-I1218 HydrophobicContact CB-CG2 3.13Å; K1147-I1218 CarbonylContact O-C 3.57Å; K1147-I1218 WeakPolarHBondContact O-CA 3.43Å; A1172-I1218 HydrophobicContact CB-CD1 4.29Å; A1172-I1218 HydrophobicContact CB-CG1 4.3Å; I1218-L1224 CarbonylContact O-C 3.56Å; I1218-L1224 WeakPolarHBondContact O-CA 3.21Å; I1218-K1225 PolarHBondContact N-O 2.86Å; I1218-K1225 PolarHBondContact O-N 2.8Å; I1218-I1227 HydrophobicContact CD1-CD1 3.66Å; I1218-I1227 HydrophobicContact CD1-CG1 3.72Å; I1218-I1227 HydrophobicContact CG1-CD1 3.35Å; I1218-I1227 HydrophobicContact CG1-CG1 3.49Å; I1218-I1227 VanDerWaalsContact CG1-CG1 3.49Å
1219A91.1Very high91.8Very high18 Ų1829.1 Ų29.115%0.14915%0.148CC..EExtended strand (participates in β ladder)trans-102.4121.4171.800000110.6K1147 I1149 E1223 L1224K1147-A1219 HydrophobicContact CB-CB 4.48Å; K1147-A1219 PolarHBondContact N-O 3.28Å; K1147-A1219 PolarHBondContact O-N 3.22Å; I1149-A1219 HydrophobicContact CD1-CB 3.76Å; A1219-E1223 WeakPolarHBondContact CA-O 3.44Å; A1219-L1224 HydrophobicContact CB-CD2 3.71Å
1220K88.2Confident91.8Very high66 Ų6629.7 Ų29.729%0.28715%0.152SC..EExtended strand (participates in β ladder)trans-149130.6171.9-170172.2-175.7171.80110.4T1144 A1146 N1222 E1223T1144-K1220 PolarHBondContact O-NZ 3.39Å; A1146-K1220 HydrophobicContact CB-CB 3.91Å; A1146-K1220 HydrophobicContact CB-CD 4.14Å; A1146-K1220 HydrophobicContact CB-CG 4.39Å; K1220-N1222 VanDerWaalsContact C-N 3.28Å; K1220-N1222 PolarHBondContact O-N 2.79Å; K1220-E1223 PolarHBondContact N-O 2.83Å; K1220-E1223 WeakPolarHBondContact O-CB 3.13Å; K1220-E1223 PolarHBondContact O-N 2.68Å
1221N82.5Confident91.7Very high146 Ų14629 Ų2978%0.78115%0.147SC*.THydrogen-bonded Turntrans51.942.8179.6-55.3-23.4000113.3E1223N1221-E1223 PolarHBondContact O-N 3.15Å; N1221-E1223 VanDerWaalsContact O-N 3.12Å
1222N76.2Confident91.7Very high122 Ų12229.8 Ų29.865%0.65215%0.15SC*.THydrogen-bonded Turntrans61.37.2-173.7-60.7-10.7000115.9K1220K1220-N1222 VanDerWaalsContact C-N 3.28Å; K1220-N1222 PolarHBondContact O-N 2.79Å
1223E86.3Confident91.6Very high95 Ų9529.8 Ų29.844%0.44415%0.15SC..EExtended strand (participates in β ladder)trans-91.6132.8168-64.7-173.9166.600110.7A1219 K1220 N1221 K1225A1219-E1223 WeakPolarHBondContact CA-O 3.44Å; K1220-E1223 PolarHBondContact N-O 2.83Å; K1220-E1223 WeakPolarHBondContact O-CB 3.13Å; K1220-E1223 PolarHBondContact O-N 2.68Å; N1221-E1223 PolarHBondContact O-N 3.15Å; N1221-E1223 VanDerWaalsContact O-N 3.12Å; E1223-K1225 VanDerWaalsContact OE2-CE 3.26Å; E1223-K1225 WeakPolarHBondContact OE2-CE 3.49Å; E1223-K1225 IonicContact OE2-NZ 3.41Å; E1223-K1225 PolarHBondContact OE2-NZ 3.29Å
1224L92.4Very high91.4Very high15 Ų1530.4 Ų30.48%0.07916%0.155CC..EExtended strand (participates in β ladder)trans-102.7129.3171.3-69.1172.7000110.1I1149 T1192 A1195 I1196 I1199 I1218 A1219I1149-L1224 HydrophobicContact CD1-CD2 4.13Å; T1192-L1224 HydrophobicContact CG2-CD1 4.22Å; T1192-L1224 HydrophobicContact CG2-CD2 3.96Å; T1192-L1224 HydrophobicContact CG2-CG 4.37Å; A1195-L1224 HydrophobicContact CB-CD1 3.61Å; I1196-L1224 HydrophobicContact CG1-CD1 3.64Å; I1196-L1224 HydrophobicContact CG1-CD2 4.32Å; I1199-L1224 HydrophobicContact CD1-CB 3.76Å; I1199-L1224 HydrophobicContact CD1-CD1 3.96Å; I1218-L1224 CarbonylContact O-C 3.56Å; I1218-L1224 WeakPolarHBondContact O-CA 3.21Å; A1219-L1224 HydrophobicContact CB-CD2 3.71Å
1225K94.2Very high91.2Very high46 Ų4631.2 Ų31.220%0.216%0.157CC..EExtended strand (participates in β ladder)trans-125.9125.1179-71.1174.7-177.91560110.5L1075 L1143 L1217 I1218 E1223L1075-K1225 HydrophobicContact CB-CG 3.9Å; L1075-K1225 CarbonylContact O-C 3.51Å; L1075-K1225 VanDerWaalsContact O-CA 3.3Å; L1075-K1225 WeakPolarHBondContact O-CA 3.49Å; L1143-K1225 HydrophobicContact CD1-CD 3.85Å; L1217-K1225 CarbonylContact C-O 3.18Å; L1217-K1225 WeakPolarHBondContact CA-O 3.32Å; I1218-K1225 PolarHBondContact N-O 2.86Å; I1218-K1225 PolarHBondContact O-N 2.8Å; E1223-K1225 VanDerWaalsContact OE2-CE 3.26Å; E1223-K1225 WeakPolarHBondContact OE2-CE 3.49Å; E1223-K1225 IonicContact OE2-NZ 3.41Å; E1223-K1225 PolarHBondContact OE2-NZ 3.29Å
1226V93.8Very high91.1Very high0 Ų031.6 Ų31.60%016%0.16CC..EExtended strand (participates in β ladder)trans-73.1127.6177.4177.80000110.3F1065 L1069 I1074 L1075 Q1076 P1077 I1199 M1215 L1217F1065-V1226 HydrophobicContact CE1-CG1 3.92Å; F1065-V1226 HydrophobicContact CZ-CG1 3.64Å; L1069-V1226 HydrophobicContact CD1-CB 3.88Å; L1069-V1226 HydrophobicContact CD1-CG1 3.92Å; L1069-V1226 HydrophobicContact CD2-CB 4.49Å; L1069-V1226 HydrophobicContact CD2-CG1 4.41Å; I1074-V1226 HydrophobicContact CG2-CB 4.32Å; I1074-V1226 HydrophobicContact CG2-CG2 3.49Å; I1074-V1226 VanDerWaalsContact CG2-CG2 3.49Å; L1075-V1226 PolarHBondContact O-N 3.34Å; Q1076-V1226 WeakPolarHBondContact CB-O 3.34Å; P1077-V1226 VanDerWaalsContact CD-O 3.25Å; P1077-V1226 WeakPolarHBondContact CD-O 3.49Å; I1199-V1226 HydrophobicContact CG2-CG2 3.67Å; M1215-V1226 HydrophobicContact CE-CG2 4.25Å; L1217-V1226 HydrophobicContact CD2-CB 4.35Å; L1217-V1226 HydrophobicContact CD2-CG2 3.54Å
1227I88.9Confident91.3Very high21 Ų2131 Ų3111%0.10816%0.157CC..EExtended strand (participates in β ladder)trans-86.4-58.8173.7-48.9179.3000109.3R1062 E1148 Q1216 I1218R1062-I1227 PolarHBondContact NH1-O 3.29Å; E1148-I1227 HydrophobicContact CG-CD1 4.08Å; Q1216-I1227 HydrophobicContact CB-CB 4.08Å; Q1216-I1227 HydrophobicContact CB-CD1 4.09Å; Q1216-I1227 HydrophobicContact CB-CG1 4.34Å; Q1216-I1227 PolarHBondContact O-N 3.06Å; I1218-I1227 HydrophobicContact CD1-CD1 3.66Å; I1218-I1227 HydrophobicContact CD1-CG1 3.72Å; I1218-I1227 HydrophobicContact CG1-CD1 3.35Å; I1218-I1227 HydrophobicContact CG1-CG1 3.49Å; I1218-I1227 VanDerWaalsContact CG1-CG1 3.49Å
1228E89.8Confident91.3Very high31 Ų3131 Ų3115%0.14516%0.157CC..EExtended strand (participates in β ladder)trans-157165.7-173.259.9174.8-139.400111.3M1215 Q1216 N1230M1215-E1228 WeakPolarHBondContact CA-O 3.35Å; Q1216-E1228 HydrophobicContact CB-CG 4.04Å; Q1216-E1228 HydrophobicContact CG-CG 4.28Å; Q1216-E1228 PolarHBondContact N-O 2.69Å; Q1216-E1228 PolarHBondContact NE2-OE1 3.46Å; Q1216-E1228 VanDerWaalsContact OE1-CD 3.26Å; Q1216-E1228 VanDerWaalsContact OE1-CG 3.24Å; Q1216-E1228 PolarHBondContact OE1-OE1 2.88Å; E1228-N1230 PolarHBondContact OE1-ND2 3.3Å
1229C92.5Very high91.4Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-142.5119.1174.8-172.90000109A1059 F1065 L1203 L1207 N1214 M1215A1059-C1229 WeakPolarHBondContact CB-O 3.24Å; F1065-C1229 HydrophobicContact CE2-CB 3.5Å; F1065-C1229 VanDerWaalsContact CE2-CB 3.5Å; F1065-C1229 HydrophobicContact CZ-CB 3.64Å; L1203-C1229 HydrophobicContact CD2-CB 3.75Å; L1207-C1229 HydrophobicContact CD1-CB 4.26Å; N1214-C1229 CarbonylContact O-C 3.46Å; N1214-C1229 VanDerWaalsContact O-CA 3.29Å; N1214-C1229 WeakPolarHBondContact O-CA 3.3Å; M1215-C1229 HydrophobicContact CB-CB 4.44Å
1230N93.3Very high91.7Very high13 Ų1329.4 Ų29.47%0.0715%0.146CC..EExtended strand (participates in β ladder)trans-100.8113.4177.4-63.1-56.6000108F1213 N1214 E1228 R1232F1213-N1230 CarbonylContact C-O 3.58Å; F1213-N1230 VanDerWaalsContact CA-O 3.24Å; F1213-N1230 WeakPolarHBondContact CA-O 3.48Å; F1213-N1230 WeakPolarHBondContact CB-O 3.28Å; N1214-N1230 PolarHBondContact N-O 3.46Å; N1214-N1230 PolarHBondContact O-N 2.9Å; E1228-N1230 PolarHBondContact OE1-ND2 3.3Å; N1230-R1232 HydrophobicContact CB-CG 4.15Å; N1230-R1232 PolarHBondContact O-N 2.77Å
1231V94.5Very high92Very high2 Ų226.5 Ų26.51%0.01214%0.135CC..SBendtrans-85.355.5-176.8-159.60000111.2T1051 A1059 L1207 V1209 P1212 F1213T1051-V1231 HydrophobicContact CG2-CB 4.44Å; T1051-V1231 HydrophobicContact CG2-CG1 3.41Å; T1051-V1231 VanDerWaalsContact CG2-CG1 3.41Å; T1051-V1231 WeakPolarHBondContact OG1-CG1 3.35Å; A1059-V1231 HydrophobicContact CB-CG2 3.42Å; A1059-V1231 VanDerWaalsContact CB-CG2 3.42Å; L1207-V1231 HydrophobicContact CD1-CG2 3.96Å; V1209-V1231 HydrophobicContact CB-CG1 4.49Å; V1209-V1231 HydrophobicContact CG1-CG1 3.93Å; V1209-V1231 HydrophobicContact CG2-CG1 3.96Å; P1212-V1231 CarbonylContact O-C 3.6Å; F1213-V1231 HydrophobicContact CB-CG1 4.34Å
1232R95.1Very high92.6Very high16 Ų1619.8 Ų19.86%0.0610%0.099CC..SBendtrans-157173.3-178.854.8173.5176106.7-5.7108.8S1028 G1031 P1212 F1213 N1230S1028-R1232 WeakPolarHBondContact O-CB 3.5Å; G1031-R1232 VanDerWaalsContact C-CD 3.45Å; G1031-R1232 WeakPolarHBondContact O-CD 3.34Å; P1212-R1232 PolarHBondContact O-N 2.77Å; F1213-R1232 WeakPolarHBondContact CA-O 3.5Å; N1230-R1232 HydrophobicContact CB-CG 4.15Å; N1230-R1232 PolarHBondContact O-N 2.77Å
1233V95.4Very high93.5Very high1 Ų114 Ų141%0.0067%0.068CC..  trans-59.3155.4168.4-60.10000111F965 C968 S1028 M1029 P1212 F1237F965-V1233 HydrophobicContact CD1-CG2 3.72Å; F965-V1233 HydrophobicContact CE1-CG2 4.01Å; C968-V1233 HydrophobicContact CB-CB 4.19Å; C968-V1233 HydrophobicContact CB-CG1 4Å; C968-V1233 HydrophobicContact CB-CG2 3.76Å; S1028-V1233 WeakPolarHBondContact O-CG2 3.41Å; S1028-V1233 PolarHBondContact O-N 3.27Å; M1029-V1233 WeakPolarHBondContact O-CG2 3.45Å; M1029-V1233 HydrophobicContact SD-CG1 3.66Å; P1212-V1233 HydrophobicContact CB-CG1 3.68Å; P1212-V1233 HydrophobicContact CG-CG1 3.55Å; V1233-F1237 HydrophobicContact CB-CD1 4.34Å; V1233-F1237 HydrophobicContact CB-CD2 4.34Å; V1233-F1237 HydrophobicContact CB-CG 4.16Å; V1233-F1237 HydrophobicContact CG1-CD1 4.04Å; V1233-F1237 HydrophobicContact CG1-CE1 4.21Å; V1233-F1237 HydrophobicContact CG1-CG 4.35Å
1234S93.6Very high93.9Very high13 Ų139.7 Ų9.79%0.0915%0.048CC..  trans-113177171.377.60000110.7D1152 S1236 F1237D1152-S1234 WeakPolarHBondContact OD1-CB 3.24Å; D1152-S1234 PolarHBondContact OD1-OG 3.29Å; S1234-S1236 PolarHBondContact O-N 2.86Å; S1234-S1236 PolarHBondContact OG-N 2.81Å; S1234-S1236 PolarHBondContact OG-OG 2.83Å; S1234-F1237 WeakPolarHBondContact O-CB 3.37Å; S1234-F1237 PolarHBondContact O-N 2.97Å; S1234-F1237 WeakPolarHBondContact OG-CD2 3.39Å; S1234-F1237 PolarHBondContact OG-N 3.19Å
1235R90.7Very high93.7Very high21 Ų2112.5 Ų12.58%0.0796%0.063CC..THydrogen-bonded Turntrans-71-23.5175.9-41-173.8-42.1140.337.3113.1E964 F965 G1177 P1238 M1296 E1301E964-R1235 HydrophobicContact CB-CB 4.22Å; E964-R1235 HydrophobicContact CG-CB 3.7Å; E964-R1235 HydrophobicContact CG-CG 3.87Å; F965-R1235 HydrophobicContact CE2-CG 3.95Å; F965-R1235 HydrophobicContact CZ-CG 3.84Å; G1177-R1235 VanDerWaalsContact C-NH2 3.34Å; G1177-R1235 VanDerWaalsContact CA-NH1 3.32Å; G1177-R1235 VanDerWaalsContact CA-NH2 3.26Å; G1177-R1235 PolarHBondContact O-NH1 3.02Å; G1177-R1235 PolarHBondContact O-NH2 2.81Å; R1235-P1238 WeakPolarHBondContact O-CD 3.05Å; R1235-M1296 PolarHBondContact NH1-SD 3.02Å; R1235-E1301 IonicContact CZ-OE2 3.4Å; R1235-E1301 IonicContact NH2-OE2 3.24Å; R1235-E1301 PolarHBondContact NH2-OE2 2.88Å
1236S94Very high93.7Very high9 Ų912.2 Ų12.26%0.0636%0.062CC..Hα-helixtrans-82.8-10.7177.645.30000112.8D1152 S1234 F1239 V1240D1152-S1236 VanDerWaalsContact CG-OG 3.27Å; D1152-S1236 PolarHBondContact OD1-OG 3.06Å; D1152-S1236 WeakPolarHBondContact OD2-CB 3.39Å; D1152-S1236 PolarHBondContact OD2-OG 3.16Å; S1234-S1236 PolarHBondContact O-N 2.86Å; S1234-S1236 PolarHBondContact OG-N 2.81Å; S1234-S1236 PolarHBondContact OG-OG 2.83Å; S1236-F1239 CarbonylContact O-C 3.34Å; S1236-F1239 WeakPolarHBondContact O-CA 3.1Å; S1236-F1239 WeakPolarHBondContact O-CB 3.14Å; S1236-F1239 PolarHBondContact O-N 3.07Å; S1236-V1240 WeakPolarHBondContact O-CG1 3.46Å; S1236-V1240 WeakPolarHBondContact O-CG2 3.42Å; S1236-V1240 PolarHBondContact O-N 3.49Å
1237F95.9Very high93.7Very high0 Ų015.1 Ų15.10%08%0.078CC..Hα-helixtrans-52.1-49.1175.8-97.5-114.8000113.8D1152 V1154 P1212 V1233 S1234 V1240 S1241 F1248 V1249D1152-F1237 HydrophobicContact CB-CD2 3.88Å; D1152-F1237 HydrophobicContact CB-CE2 3.62Å; D1152-F1237 HydrophobicContact CB-CZ 4.34Å; D1152-F1237 WeakPolarHBondContact OD1-CD2 3.32Å; D1152-F1237 WeakPolarHBondContact OD1-CE2 3.34Å; V1154-F1237 HydrophobicContact CG2-CE1 4.21Å; P1212-F1237 HydrophobicContact CB-CE1 3.58Å; P1212-F1237 HydrophobicContact CB-CE2 4.47Å; P1212-F1237 HydrophobicContact CB-CZ 3.5Å; V1233-F1237 HydrophobicContact CB-CD1 4.34Å; V1233-F1237 HydrophobicContact CB-CD2 4.34Å; V1233-F1237 HydrophobicContact CB-CG 4.16Å; V1233-F1237 HydrophobicContact CG1-CD1 4.04Å; V1233-F1237 HydrophobicContact CG1-CE1 4.21Å; V1233-F1237 HydrophobicContact CG1-CG 4.35Å; S1234-F1237 WeakPolarHBondContact O-CB 3.37Å; S1234-F1237 PolarHBondContact O-N 2.97Å; S1234-F1237 WeakPolarHBondContact OG-CD2 3.39Å; S1234-F1237 PolarHBondContact OG-N 3.19Å; F1237-V1240 WeakPolarHBondContact O-CG2 3.48Å; F1237-S1241 WeakPolarHBondContact O-CB 3.25Å; F1237-S1241 PolarHBondContact O-N 3.01Å; F1237-S1241 PolarHBondContact O-OG 3.46Å; F1237-F1248 HydrophobicContact CD1-CB 3.72Å; F1237-F1248 HydrophobicContact CE1-CB 3.73Å; F1237-F1248 HydrophobicContact CE1-CD1 4.23Å; F1237-F1248 HydrophobicContact CE1-CG 4.47Å; F1237-V1249 HydrophobicContact CD1-CG2 4.25Å
1238P95.6Very high94.1Very high0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-57.9-45.8172.3-20.325.9000112.9E964 W967 R1235 S1241 K1242E964-P1238 HydrophobicContact CB-CG 3.98Å; W967-P1238 HydrophobicContact CB-CG 4.29Å; W967-P1238 HydrophobicContact CD2-CB 3.94Å; W967-P1238 HydrophobicContact CD2-CG 3.96Å; W967-P1238 HydrophobicContact CE3-CB 3.83Å; W967-P1238 HydrophobicContact CE3-CG 3.57Å; W967-P1238 HydrophobicContact CG-CB 4.32Å; W967-P1238 HydrophobicContact CG-CG 4.24Å; W967-P1238 HydrophobicContact CZ3-CB 4.28Å; W967-P1238 HydrophobicContact CZ3-CG 4.25Å; R1235-P1238 WeakPolarHBondContact O-CD 3.05Å; P1238-S1241 PolarHBondContact O-N 3.07Å; P1238-K1242 WeakPolarHBondContact O-CB 3.32Å; P1238-K1242 WeakPolarHBondContact O-CG 3.42Å; P1238-K1242 PolarHBondContact O-N 3.48Å; P1238-K1242 VanDerWaalsContact O-N 3.09Å
1239F96.5Very high94.4Very high0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-62-51.1-178.9166.4-120.1000112.1I447 L1181 T1183 S1236 K1242 T1243 K1276 A1303I447-F1239 HydrophobicContact CD1-CD2 4.1Å; I447-F1239 HydrophobicContact CG2-CB 4.06Å; I447-F1239 HydrophobicContact CG2-CD2 4.24Å; L1181-F1239 HydrophobicContact CB-CE1 3.97Å; T1183-F1239 WeakPolarHBondContact OG1-CE1 3.22Å; S1236-F1239 CarbonylContact O-C 3.34Å; S1236-F1239 WeakPolarHBondContact O-CA 3.1Å; S1236-F1239 WeakPolarHBondContact O-CB 3.14Å; S1236-F1239 PolarHBondContact O-N 3.07Å; F1239-K1242 PolarHBondContact O-N 2.84Å; F1239-T1243 WeakPolarHBondContact CD2-OG1 3.19Å; F1239-T1243 VanDerWaalsContact CE2-OG1 3.31Å; F1239-T1243 WeakPolarHBondContact CE2-OG1 3.37Å; F1239-T1243 VanDerWaalsContact O-CB 3.23Å; F1239-T1243 WeakPolarHBondContact O-CB 3.29Å; F1239-T1243 PolarHBondContact O-N 3.27Å; F1239-T1243 PolarHBondContact O-OG1 3.16Å; F1239-K1276 HydrophobicContact CD1-CB 4Å; F1239-K1276 HydrophobicContact CD2-CB 3.86Å; F1239-K1276 HydrophobicContact CE1-CB 3.94Å; F1239-K1276 HydrophobicContact CE2-CB 3.84Å; F1239-K1276 HydrophobicContact CG-CB 3.96Å; F1239-K1276 HydrophobicContact CZ-CB 3.88Å; F1239-A1303 HydrophobicContact CD2-CB 3.75Å; F1239-A1303 HydrophobicContact CE2-CB 3.88Å
1240V96.1Very high94.6Very high0 Ų013.1 Ų13.10%07%0.069CC..Hα-helixtrans-67.9-38.2179.9-56.70000111.2D1152 A1164 T1183 S1236 F1237 K1242 T1243 L1244D1152-V1240 HydrophobicContact CB-CG2 4.17Å; A1164-V1240 HydrophobicContact CB-CB 3.65Å; A1164-V1240 HydrophobicContact CB-CG1 3.8Å; A1164-V1240 HydrophobicContact CB-CG2 3.97Å; T1183-V1240 HydrophobicContact CG2-CG1 4.27Å; S1236-V1240 WeakPolarHBondContact O-CG1 3.46Å; S1236-V1240 WeakPolarHBondContact O-CG2 3.42Å; S1236-V1240 PolarHBondContact O-N 3.49Å; F1237-V1240 WeakPolarHBondContact O-CG2 3.48Å; V1240-K1242 VanDerWaalsContact C-N 3.34Å; V1240-K1242 PolarHBondContact O-N 3.44Å; V1240-T1243 PolarHBondContact O-N 2.77Å; V1240-L1244 HydrophobicContact CB-CD1 4.47Å; V1240-L1244 VanDerWaalsContact O-CB 3.29Å; V1240-L1244 WeakPolarHBondContact O-CB 3.39Å; V1240-L1244 WeakPolarHBondContact O-CG 3.36Å; V1240-L1244 PolarHBondContact O-N 3.18Å
1241S95.7Very high94.8Very high6 Ų613.1 Ų13.14%0.0427%0.07CC..Hα-helixtrans-63-41.3179.6-61.30000112.1F1237 P1238 D1245 H1246 F1248F1237-S1241 WeakPolarHBondContact O-CB 3.25Å; F1237-S1241 PolarHBondContact O-N 3.01Å; F1237-S1241 PolarHBondContact O-OG 3.46Å; P1238-S1241 PolarHBondContact O-N 3.07Å; S1241-D1245 WeakPolarHBondContact O-CA 3.4Å; S1241-D1245 PolarHBondContact O-N 3.27Å; S1241-D1245 VanDerWaalsContact O-N 3.13Å; S1241-H1246 CarbonylContact C-O 3.55Å; S1241-H1246 WeakPolarHBondContact CA-O 3.2Å; S1241-H1246 WeakPolarHBondContact CB-O 3.21Å; S1241-H1246 PolarHBondContact O-N 2.9Å; S1241-F1248 PolarHBondContact OG-N 2.91Å
1242K94.9Very high94.9Very high5 Ų513 Ų132%0.0227%0.069CC..Hα-helixtrans-78.9-33.9-180-70.7169.7-175.3173.20112.7I447 T449 T452 F462 P1238 F1239 V1240 K1272 M1471I447-K1242 HydrophobicContact CD1-CB 3.91Å; I447-K1242 HydrophobicContact CD1-CD 4.36Å; I447-K1242 HydrophobicContact CG1-CB 4.03Å; I447-K1242 HydrophobicContact CG1-CD 3.58Å; I447-K1242 HydrophobicContact CG1-CG 4.43Å; I447-K1242 WeakPolarHBondContact O-CD 3.31Å; I447-K1242 WeakPolarHBondContact O-CE 3.49Å; I447-K1242 PolarHBondContact O-NZ 2.71Å; T449-K1242 PolarHBondContact O-NZ 3.45Å; T452-K1242 WeakPolarHBondContact O-CE 3.32Å; T452-K1242 PolarHBondContact OG1-NZ 2.88Å; F462-K1242 HydrophobicContact CE1-CD 4.49Å; F462-K1242 HydrophobicContact CZ-CD 4.24Å; P1238-K1242 WeakPolarHBondContact O-CB 3.32Å; P1238-K1242 WeakPolarHBondContact O-CG 3.42Å; P1238-K1242 PolarHBondContact O-N 3.48Å; P1238-K1242 VanDerWaalsContact O-N 3.09Å; F1239-K1242 PolarHBondContact O-N 2.84Å; V1240-K1242 VanDerWaalsContact C-N 3.34Å; V1240-K1242 PolarHBondContact O-N 3.44Å; K1242-K1272 PolarHBondContact O-NZ 2.91Å; K1242-M1471 HydrophobicContact CB-CE 4.06Å; K1242-M1471 HydrophobicContact CB-SD 3.67Å; K1242-M1471 HydrophobicContact CG-CE 4.09Å; K1242-M1471 HydrophobicContact CG-SD 4.1Å; K1242-M1471 VanDerWaalsContact O-SD 3.38Å
1243T94.9Very high95Very high1 Ų112.2 Ų12.21%0.0067%0.066CC..Hα-helixtrans-70.3-43.8176.9-58.30000111.7T1183 F1239 V1240 D1245 K1272 F1305T1183-T1243 HydrophobicContact CG2-CG2 4.4Å; T1183-T1243 VanDerWaalsContact O-CG2 3.26Å; T1183-T1243 WeakPolarHBondContact O-CG2 3.4Å; F1239-T1243 WeakPolarHBondContact CD2-OG1 3.19Å; F1239-T1243 VanDerWaalsContact CE2-OG1 3.31Å; F1239-T1243 WeakPolarHBondContact CE2-OG1 3.37Å; F1239-T1243 VanDerWaalsContact O-CB 3.23Å; F1239-T1243 WeakPolarHBondContact O-CB 3.29Å; F1239-T1243 PolarHBondContact O-N 3.27Å; F1239-T1243 PolarHBondContact O-OG1 3.16Å; V1240-T1243 PolarHBondContact O-N 2.77Å; T1243-D1245 VanDerWaalsContact C-N 3.35Å; T1243-K1272 WeakPolarHBondContact O-CE 3.41Å; T1243-F1305 HydrophobicContact CG2-CE1 4.39Å
1244L93.7Very high95.1Very high4 Ų417 Ų172%0.0218%0.084CC..THydrogen-bonded Turntrans-88.3-1.7-178.9-56.3177.6000113.5A1164 T1183 P1184 V1240 H1246 F1248 V1266A1164-L1244 HydrophobicContact CB-CD1 3.51Å; T1183-L1244 HydrophobicContact CG2-CD1 4.42Å; T1183-L1244 HydrophobicContact CG2-CD2 4.07Å; T1183-L1244 HydrophobicContact CG2-CG 4.26Å; P1184-L1244 HydrophobicContact CG-CD2 3.87Å; V1240-L1244 HydrophobicContact CB-CD1 4.47Å; V1240-L1244 VanDerWaalsContact O-CB 3.29Å; V1240-L1244 WeakPolarHBondContact O-CB 3.39Å; V1240-L1244 WeakPolarHBondContact O-CG 3.36Å; V1240-L1244 PolarHBondContact O-N 3.18Å; L1244-H1246 VanDerWaalsContact C-N 3.25Å; L1244-H1246 PolarHBondContact O-N 3.4Å; L1244-F1248 HydrophobicContact CD1-CE2 4.34Å; L1244-F1248 HydrophobicContact CD1-CZ 4.36Å; L1244-V1266 HydrophobicContact CD1-CB 4.39Å; L1244-V1266 HydrophobicContact CD1-CG2 4.06Å
1245D89.8Confident95.2Very high73 Ų7316.5 Ų16.539%0.398%0.081SC..THydrogen-bonded Turntrans52.138.9-175.6-160.735.9000113.8K454 S1241 T1243 V1270K454-D1245 WeakPolarHBondContact CD-OD1 3.49Å; K454-D1245 IonicContact NZ-OD1 2.9Å; K454-D1245 PolarHBondContact NZ-OD1 2.54Å; K454-D1245 IonicContact NZ-OD2 3.68Å; K454-D1245 PolarHBondContact NZ-OD2 3.27Å; S1241-D1245 WeakPolarHBondContact O-CA 3.4Å; S1241-D1245 PolarHBondContact O-N 3.27Å; S1241-D1245 VanDerWaalsContact O-N 3.13Å; T1243-D1245 VanDerWaalsContact C-N 3.35Å; D1245-V1270 HydrophobicContact CB-CG2 4.32Å
1246H92.6Very high95.5Very high40 Ų4016 Ų1619%0.1858%0.08CC..  trans-135.9127.9177.3-176.675000110.4S1241 L1244 F1248 T1251 L1264 V1266S1241-H1246 CarbonylContact C-O 3.55Å; S1241-H1246 WeakPolarHBondContact CA-O 3.2Å; S1241-H1246 WeakPolarHBondContact CB-O 3.21Å; S1241-H1246 PolarHBondContact O-N 2.9Å; L1244-H1246 VanDerWaalsContact C-N 3.25Å; L1244-H1246 PolarHBondContact O-N 3.4Å; H1246-F1248 HydrophobicContact CB-CE2 4.4Å; H1246-F1248 AromaticContact CD2-CD2 3.72Å; H1246-F1248 AromaticContact CD2-CE2 3.76Å; H1246-F1248 WeakPolarHBondContact O-CD2 3.08Å; H1246-F1248 PolarHBondContact O-N 3.3Å; H1246-T1251 PolarHBondContact NE2-OG1 3.03Å; H1246-L1264 WeakPolarHBondContact ND1-CD2 3.45Å; H1246-V1266 HydrophobicContact CB-CG1 3.87Å
1247D94Very high95.4Very high62 Ų6217 Ų1733%0.3329%0.085SC..  trans-83.896.4-176-170.9-20.8000111.4V1249 A1250 T1251D1247-V1249 VanDerWaalsContact C-N 3.26Å; D1247-V1249 PolarHBondContact O-N 3.04Å; D1247-V1249 PolarHBondContact OD1-N 3.23Å; D1247-A1250 HydrophobicContact CB-CB 3.93Å; D1247-A1250 VanDerWaalsContact CG-CB 3.5Å; D1247-A1250 PolarHBondContact O-N 3.13Å; D1247-A1250 PolarHBondContact OD1-N 3.45Å; D1247-T1251 PolarHBondContact O-N 2.82Å; D1247-T1251 PolarHBondContact O-OG1 3.43Å
1248F97.2Very high95.1Very high0 Ų020 Ų200%012%0.117CC..Hα-helixtrans-65.3-31.2179.9-81.2-127.2000111.9V1154 C1162 A1164 F1237 S1241 L1244 H1246 A1252 V1266V1154-F1248 HydrophobicContact CG2-CB 4.1Å; V1154-F1248 HydrophobicContact CG2-CD1 3.96Å; V1154-F1248 HydrophobicContact CG2-CG 4.37Å; V1154-F1248 WeakPolarHBondContact CG2-O 3.32Å; C1162-F1248 HydrophobicContact CB-CE1 4.4Å; C1162-F1248 HydrophobicContact CB-CZ 4.23Å; A1164-F1248 HydrophobicContact CB-CE1 4.1Å; A1164-F1248 HydrophobicContact CB-CZ 3.78Å; F1237-F1248 HydrophobicContact CD1-CB 3.72Å; F1237-F1248 HydrophobicContact CE1-CB 3.73Å; F1237-F1248 HydrophobicContact CE1-CD1 4.23Å; F1237-F1248 HydrophobicContact CE1-CG 4.47Å; S1241-F1248 PolarHBondContact OG-N 2.91Å; L1244-F1248 HydrophobicContact CD1-CE2 4.34Å; L1244-F1248 HydrophobicContact CD1-CZ 4.36Å; H1246-F1248 HydrophobicContact CB-CE2 4.4Å; H1246-F1248 AromaticContact CD2-CD2 3.72Å; H1246-F1248 AromaticContact CD2-CE2 3.76Å; H1246-F1248 WeakPolarHBondContact O-CD2 3.08Å; H1246-F1248 PolarHBondContact O-N 3.3Å; F1248-A1252 VanDerWaalsContact O-CB 3.26Å; F1248-A1252 WeakPolarHBondContact O-CB 3.34Å; F1248-A1252 PolarHBondContact O-N 3.06Å; F1248-V1266 HydrophobicContact CE2-CG2 3.94Å; F1248-V1266 HydrophobicContact CZ-CG2 3.76Å
1249V96.8Very high94.8Very high0 Ų023.7 Ų23.70%014%0.136CC..Hα-helixtrans-70.9-44-179.8172.90000110W967 C968 C972 M1029 F1237 D1247 T1251 A1252 T1253W967-V1249 HydrophobicContact CE3-CG2 4.06Å; W967-V1249 HydrophobicContact CH2-CG2 4.13Å; W967-V1249 HydrophobicContact CZ3-CB 4.28Å; W967-V1249 HydrophobicContact CZ3-CG2 3.42Å; W967-V1249 VanDerWaalsContact CZ3-CG2 3.42Å; C968-V1249 HydrophobicContact CB-CG2 4.15Å; C968-V1249 WeakPolarHBondContact O-CG1 3.43Å; C972-V1249 HydrophobicContact CB-CG1 4.25Å; M1029-V1249 HydrophobicContact SD-CG1 4.24Å; F1237-V1249 HydrophobicContact CD1-CG2 4.25Å; D1247-V1249 VanDerWaalsContact C-N 3.26Å; D1247-V1249 PolarHBondContact O-N 3.04Å; D1247-V1249 PolarHBondContact OD1-N 3.23Å; V1249-T1251 VanDerWaalsContact C-N 3.34Å; V1249-T1251 PolarHBondContact O-N 2.89Å; V1249-A1252 WeakPolarHBondContact O-CB 3.48Å; V1249-A1252 PolarHBondContact O-N 3.46Å; V1249-A1252 VanDerWaalsContact O-N 3.16Å; V1249-T1253 PolarHBondContact O-N 3.48Å; V1249-T1253 PolarHBondContact O-OG1 3.2Å; V1249-T1253 VanDerWaalsContact O-OG1 3.06Å
1250A95.9Very high94.2Very high9 Ų929.7 Ų29.77%0.07417%0.168CC..Hα-helixtrans-59.9-44.1175.200000112E975 D1247 A1252 T1253 R1254E975-A1250 HydrophobicContact CB-CB 4.49Å; E975-A1250 HydrophobicContact CG-CB 4.02Å; D1247-A1250 HydrophobicContact CB-CB 3.93Å; D1247-A1250 VanDerWaalsContact CG-CB 3.5Å; D1247-A1250 PolarHBondContact O-N 3.13Å; D1247-A1250 PolarHBondContact OD1-N 3.45Å; A1250-A1252 VanDerWaalsContact C-N 3.34Å; A1250-A1252 PolarHBondContact O-N 3.5Å; A1250-T1253 PolarHBondContact O-N 3.12Å; A1250-R1254 WeakPolarHBondContact O-CG 3.38Å; A1250-R1254 PolarHBondContact O-N 3.39Å
1251T97.3Very high93.8Very high13 Ų1330.6 Ų30.68%0.0817%0.174CC..Hα-helixtrans-59.5-44.8174-60.10000111.1V1154 L1161 H1246 D1247 V1249 R1254 A1255 V1261V1154-T1251 HydrophobicContact CB-CG2 4.24Å; V1154-T1251 HydrophobicContact CG1-CG2 3.95Å; L1161-T1251 HydrophobicContact CB-CG2 3.92Å; L1161-T1251 HydrophobicContact CD1-CG2 3.96Å; H1246-T1251 PolarHBondContact NE2-OG1 3.03Å; D1247-T1251 PolarHBondContact O-N 2.82Å; D1247-T1251 PolarHBondContact O-OG1 3.43Å; V1249-T1251 VanDerWaalsContact C-N 3.34Å; V1249-T1251 PolarHBondContact O-N 2.89Å; T1251-R1254 PolarHBondContact O-N 3.45Å; T1251-A1255 PolarHBondContact O-N 3.24Å; T1251-A1255 VanDerWaalsContact O-N 3.1Å; T1251-V1261 HydrophobicContact CG2-CG1 4.03Å
1252A97.6Very high93.3Very high0 Ų038.9 Ų38.90%021%0.211CC..Hα-helixtrans-64.5-44.5178.200000112.6M1029 V1154 P1212 F1248 V1249 A1250 R1254 A1255 I1256M1029-A1252 HydrophobicContact CE-CB 4.22Å; V1154-A1252 VanDerWaalsContact CG1-CA 3.47Å; V1154-A1252 HydrophobicContact CG1-CB 3.8Å; V1154-A1252 HydrophobicContact CG2-CB 4.04Å; P1212-A1252 HydrophobicContact CB-CB 4.13Å; P1212-A1252 HydrophobicContact CG-CB 4.24Å; F1248-A1252 VanDerWaalsContact O-CB 3.26Å; F1248-A1252 WeakPolarHBondContact O-CB 3.34Å; F1248-A1252 PolarHBondContact O-N 3.06Å; V1249-A1252 WeakPolarHBondContact O-CB 3.48Å; V1249-A1252 PolarHBondContact O-N 3.46Å; V1249-A1252 VanDerWaalsContact O-N 3.16Å; A1250-A1252 VanDerWaalsContact C-N 3.34Å; A1250-A1252 PolarHBondContact O-N 3.5Å; A1252-R1254 VanDerWaalsContact C-N 3.34Å; A1252-R1254 PolarHBondContact O-N 2.84Å; A1252-A1255 PolarHBondContact O-N 3.35Å; A1252-I1256 WeakPolarHBondContact O-CB 3.24Å; A1252-I1256 WeakPolarHBondContact O-CD1 3.49Å; A1252-I1256 WeakPolarHBondContact O-CG1 3.4Å; A1252-I1256 PolarHBondContact O-N 2.7Å
1253T97.7Very high92.9Very high0 Ų041.6 Ų41.60%023%0.23CC..Hα-helixtrans-60.4-44177.4-61.30000111.2C972 E975 L976 V1249 A1250 A1255 I1256 V1257C972-T1253 WeakPolarHBondContact CA-OG1 3.49Å; C972-T1253 PolarHBondContact SG-OG1 3.08Å; E975-T1253 HydrophobicContact CB-CG2 3.99Å; E975-T1253 HydrophobicContact CG-CG2 4.17Å; L976-T1253 HydrophobicContact CD2-CG2 3.86Å; L976-T1253 HydrophobicContact CG-CG2 3.84Å; V1249-T1253 PolarHBondContact O-N 3.48Å; V1249-T1253 PolarHBondContact O-OG1 3.2Å; V1249-T1253 VanDerWaalsContact O-OG1 3.06Å; A1250-T1253 PolarHBondContact O-N 3.12Å; T1253-A1255 PolarHBondContact O-N 3.19Å; T1253-I1256 PolarHBondContact O-N 2.98Å; T1253-V1257 WeakPolarHBondContact O-CG2 3.31Å; T1253-V1257 PolarHBondContact O-N 3.47Å
1254R97.1Very high92.5Very high101 Ų10145.8 Ų45.838%0.38125%0.252SS..Hα-helixtrans-60.7-42.9176.1-71.1175.9-172.2-177.75112.1E975 L979 A1250 T1251 A1252 V1257 G1258 L1259 V1261E975-R1254 HydrophobicContact CG-CG 4.43Å; E975-R1254 IonicContact OE1-CZ 3.05Å; E975-R1254 IonicContact OE1-NE 3.27Å; E975-R1254 PolarHBondContact OE1-NE 3.48Å; E975-R1254 IonicContact OE1-NH2 3.04Å; E975-R1254 PolarHBondContact OE1-NH2 3.16Å; L979-R1254 HydrophobicContact CD1-CG 4.33Å; A1250-R1254 WeakPolarHBondContact O-CG 3.38Å; A1250-R1254 PolarHBondContact O-N 3.39Å; T1251-R1254 PolarHBondContact O-N 3.45Å; A1252-R1254 VanDerWaalsContact C-N 3.34Å; A1252-R1254 PolarHBondContact O-N 2.84Å; R1254-V1257 WeakPolarHBondContact O-CG2 3.33Å; R1254-V1257 PolarHBondContact O-N 3.4Å; R1254-G1258 PolarHBondContact O-N 3.37Å; R1254-L1259 HydrophobicContact CB-CB 4.25Å; R1254-L1259 HydrophobicContact CB-CD1 4.34Å; R1254-L1259 HydrophobicContact CG-CD1 4.16Å; R1254-L1259 WeakPolarHBondContact O-CB 3.47Å; R1254-L1259 PolarHBondContact O-N 3.27Å; R1254-V1261 HydrophobicContact CB-CG2 3.48Å; R1254-V1261 VanDerWaalsContact CB-CG2 3.48Å; R1254-V1261 HydrophobicContact CG-CG2 4.47Å
1255A95.3Very high92.1Very high3 Ų348.4 Ų48.43%0.02527%0.266CS..Hα-helixtrans-63.6-44.4174.900000112.1L1161 T1210 T1251 A1252 T1253 V1257 G1258L1161-A1255 HydrophobicContact CD1-CB 3.89Å; T1210-A1255 HydrophobicContact CG2-CB 4.47Å; T1210-A1255 WeakPolarHBondContact CG2-O 3.47Å; T1251-A1255 PolarHBondContact O-N 3.24Å; T1251-A1255 VanDerWaalsContact O-N 3.1Å; A1252-A1255 PolarHBondContact O-N 3.35Å; T1253-A1255 PolarHBondContact O-N 3.19Å; A1255-V1257 VanDerWaalsContact C-N 3.31Å; A1255-V1257 PolarHBondContact O-N 3.43Å; A1255-G1258 PolarHBondContact O-N 2.79Å
1256I96.2Very high91.9Very high11 Ų1145.6 Ų45.66%0.05625%0.251CS..Hα-helixtrans-58.9-39.8179-73.6165.5000111.9I1026 M1029 L1049 A1252 T1253 G1258I1026-I1256 HydrophobicContact CD1-CG2 3.8Å; I1026-I1256 HydrophobicContact CG1-CG2 3.9Å; I1026-I1256 HydrophobicContact CG2-CD1 4.3Å; M1029-I1256 HydrophobicContact CE-CD1 3.56Å; L1049-I1256 HydrophobicContact CB-CG2 3.74Å; A1252-I1256 WeakPolarHBondContact O-CB 3.24Å; A1252-I1256 WeakPolarHBondContact O-CD1 3.49Å; A1252-I1256 WeakPolarHBondContact O-CG1 3.4Å; A1252-I1256 PolarHBondContact O-N 2.7Å; T1253-I1256 PolarHBondContact O-N 2.98Å; I1256-G1258 VanDerWaalsContact C-N 3.26Å; I1256-G1258 PolarHBondContact O-N 3.21Å
1257V93Very high91.5Very high28 Ų2844.2 Ų44.217%0.1725%0.245CC..THydrogen-bonded Turntrans-84.33.2177.7-56.20000113.6L976 L979 T1253 R1254 A1255 L1259L976-V1257 HydrophobicContact CD2-CG1 3.65Å; L979-V1257 HydrophobicContact CD1-CG2 3.98Å; T1253-V1257 WeakPolarHBondContact O-CG2 3.31Å; T1253-V1257 PolarHBondContact O-N 3.47Å; R1254-V1257 WeakPolarHBondContact O-CG2 3.33Å; R1254-V1257 PolarHBondContact O-N 3.4Å; A1255-V1257 VanDerWaalsContact C-N 3.31Å; A1255-V1257 PolarHBondContact O-N 3.43Å; V1257-L1259 HydrophobicContact CG2-CD1 3.98Å; V1257-L1259 HydrophobicContact CG2-CG 3.95Å
1258G88.7Confident90.7Very high65 Ų6548 Ų4867%0.6726%0.261SS*.THydrogen-bonded Turntrans81.620.1174.800000115.5R1254 A1255 I1256R1254-G1258 PolarHBondContact O-N 3.37Å; A1255-G1258 PolarHBondContact O-N 2.79Å; I1256-G1258 VanDerWaalsContact C-N 3.26Å; I1256-G1258 PolarHBondContact O-N 3.21Å
1259L89.5Confident89.8Confident77 Ų7749.3 Ų49.340%0.40327%0.273SS..  trans-77.2144.8171.7-67.7171.7000110.7L979 R1254 V1257L979-L1259 HydrophobicContact CD1-CD1 3.69Å; L979-L1259 HydrophobicContact CD2-CD1 3.63Å; L979-L1259 HydrophobicContact CG-CD1 4.3Å; R1254-L1259 HydrophobicContact CB-CB 4.25Å; R1254-L1259 HydrophobicContact CB-CD1 4.34Å; R1254-L1259 HydrophobicContact CG-CD1 4.16Å; R1254-L1259 WeakPolarHBondContact O-CB 3.47Å; R1254-L1259 PolarHBondContact O-N 3.27Å; V1257-L1259 HydrophobicContact CG2-CD1 3.98Å; V1257-L1259 HydrophobicContact CG2-CG 3.95Å
1260D84Confident88.9Confident125 Ų12553.4 Ų53.467%0.66830%0.298SS*.  trans-74.9125.6171.6-145.2-20.4000109R1889D1260-R1889 IonicContact OD2-CZ 2.7Å; D1260-R1889 IonicContact OD2-NH2 3.81Å; D1260-R1889 PolarHBondContact OD2-NH2 3.32Å
1261V88.4Confident88.2Confident20 Ų2055.9 Ų55.912%0.12133%0.325CS..  trans-126125-177.9-176.40000107.6L1161 T1251 R1254L1161-V1261 HydrophobicContact CD1-CB 3.98Å; L1161-V1261 HydrophobicContact CD1-CG1 4.37Å; L1161-V1261 WeakPolarHBondContact CD2-O 3.32Å; T1251-V1261 HydrophobicContact CG2-CG1 4.03Å; R1254-V1261 HydrophobicContact CB-CG2 3.48Å; R1254-V1261 VanDerWaalsContact CB-CG2 3.48Å; R1254-V1261 HydrophobicContact CG-CG2 4.47Å
1262E84.4Confident87.9Confident179 Ų17956.5 Ų56.584%0.83633%0.327SS*.  trans-67.1130.3177.1-67.5-166.314800110.4
1263P87.5Confident87.8Confident62 Ų6256.8 Ų56.840%0.40333%0.329SS..  trans-62.9138174.5-22.733.4000111.9L1161L1161-P1263 HydrophobicContact CD2-CG 4.16Å; L1161-P1263 CarbonylContact O-C 3.6Å; L1161-P1263 WeakPolarHBondContact O-CA 3.22Å
1264L86.1Confident87.7Confident90 Ų9056.8 Ų56.847%0.47133%0.329SS..  trans-123.6130.9178.5-173.171.6000110.2L1161 H1246 V1266L1161-L1264 PolarHBondContact O-N 2.97Å; H1246-L1264 WeakPolarHBondContact ND1-CD2 3.45Å; L1264-V1266 HydrophobicContact CD2-CG1 3.55Å; L1264-V1266 HydrophobicContact CG-CG1 3.85Å; L1264-V1266 PolarHBondContact O-N 2.81Å
1265D84.3Confident87.8Confident59 Ų5952 Ų5232%0.31631%0.31SS..  trans-86.5102.8173-167.1-10.2000110.4L1267 F1850D1265-L1267 WeakPolarHBondContact OD1-CB 3.38Å; D1265-L1267 PolarHBondContact OD1-N 2.91Å; D1265-L1267 VanDerWaalsContact OD1-N 3.09Å; D1265-F1850 HydrophobicContact CB-CE1 4.12Å; D1265-F1850 HydrophobicContact CB-CE2 4.32Å; D1265-F1850 HydrophobicContact CB-CZ 3.56Å
1266V86.7Confident87.9Confident14 Ų1451.9 Ų51.99%0.08531%0.309CS..  trans-1066.6177.8-63.50000112.5C1162 M1163 L1244 H1246 F1248 L1264 H1268 G1269C1162-V1266 HydrophobicContact CB-CG2 4.3Å; M1163-V1266 WeakPolarHBondContact O-CG2 3.42Å; L1244-V1266 HydrophobicContact CD1-CB 4.39Å; L1244-V1266 HydrophobicContact CD1-CG2 4.06Å; H1246-V1266 HydrophobicContact CB-CG1 3.87Å; F1248-V1266 HydrophobicContact CE2-CG2 3.94Å; F1248-V1266 HydrophobicContact CZ-CG2 3.76Å; L1264-V1266 HydrophobicContact CD2-CG1 3.55Å; L1264-V1266 HydrophobicContact CG-CG1 3.85Å; L1264-V1266 PolarHBondContact O-N 2.81Å; V1266-H1268 VanDerWaalsContact C-N 3.27Å; V1266-H1268 PolarHBondContact O-N 3.37Å; V1266-G1269 PolarHBondContact O-N 3.13Å
1267L83.7Confident87.9Confident10 Ų1051.6 Ų51.65%0.05231%0.308CS..THydrogen-bonded Turntrans-63.1-32.3-167.5-169.963.6000113.4M1163 V1165 L1193 D1265M1163-L1267 HydrophobicContact CE-CD1 4.26Å; M1163-L1267 HydrophobicContact CG-CD1 4.38Å; V1165-L1267 HydrophobicContact CB-CD1 4.03Å; V1165-L1267 HydrophobicContact CG2-CD1 3.55Å; L1193-L1267 HydrophobicContact CD1-CD1 4.12Å; L1193-L1267 HydrophobicContact CD1-CD2 4.02Å; L1193-L1267 HydrophobicContact CD1-CG 4.26Å; L1193-L1267 HydrophobicContact CD2-CD2 3.71Å; L1193-L1267 HydrophobicContact CD2-CG 4.14Å; L1193-L1267 HydrophobicContact CG-CD2 3.77Å; L1193-L1267 HydrophobicContact CG-CG 4.42Å; D1265-L1267 WeakPolarHBondContact OD1-CB 3.38Å; D1265-L1267 PolarHBondContact OD1-N 2.91Å; D1265-L1267 VanDerWaalsContact OD1-N 3.09Å
1268H78.3Confident88Confident143 Ų14350.6 Ų50.666%0.66230%0.302SS*.THydrogen-bonded Turntrans-89.2-4.9-179.4-60.890.4000113.4V1266V1266-H1268 VanDerWaalsContact C-N 3.27Å; V1266-H1268 PolarHBondContact O-N 3.37Å
1269G77.3Confident88.2Confident26 Ų2648.6 Ų48.627%0.26828%0.275SS..  trans67.9-163.7178.700000115.1V1266V1266-G1269 PolarHBondContact O-N 3.13Å
1270V78.7Confident88.4Confident86 Ų8647.3 Ų47.352%0.52127%0.267SS..SBendtrans-11933-171.9-64.90000112.8D1245 K1272D1245-V1270 HydrophobicContact CB-CG2 4.32Å; V1270-K1272 HydrophobicContact CG2-CD 4.47Å; V1270-K1272 HydrophobicContact CG2-CG 4.2Å
1271G80.7Confident88.7Confident62 Ų6241.5 Ų41.564%0.63924%0.236SC*.SBendtrans80.915.6177.800000115.8
1272K90.6Very high88.7Confident25 Ų2541.2 Ų41.211%0.10923%0.233CC..  trans-132.3153.7172.866.2-178.1-177.9172.30111K1242 T1243 V1270 F1305 T1468K1242-K1272 PolarHBondContact O-NZ 2.91Å; T1243-K1272 WeakPolarHBondContact O-CE 3.41Å; V1270-K1272 HydrophobicContact CG2-CD 4.47Å; V1270-K1272 HydrophobicContact CG2-CG 4.2Å; K1272-F1305 HydrophobicContact CD-CD2 4.3Å; K1272-F1305 HydrophobicContact CD-CG 4.23Å; K1272-T1468 HydrophobicContact CB-CG2 4.19Å
1273V95Very high88.5Confident7 Ų735 Ų354%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-109.2129.1174.2-177.50000109.1V1182 Q1186 V1275 F1305 G1306 R1309V1182-V1273 HydrophobicContact CG1-CG1 3.7Å; Q1186-V1273 HydrophobicContact CG-CG1 4.14Å; Q1186-V1273 HydrophobicContact CG-CG2 4.15Å; V1273-V1275 HydrophobicContact CG1-CG2 4.44Å; V1273-F1305 CarbonylContact O-C 3.59Å; V1273-F1305 WeakPolarHBondContact O-CA 3.02Å; V1273-G1306 PolarHBondContact N-O 2.96Å; V1273-G1306 PolarHBondContact O-N 3.37Å; V1273-R1309 HydrophobicContact CG1-CB 4.2Å
1274G96.7Very high88.1Confident0 Ų033.1 Ų33.10%019%0.194CC..EExtended strand (participates in β ladder)trans-97.8140.4168.900000111T1183T1183-G1274 PolarHBondContact N-O 3.35Å; T1183-G1274 PolarHBondContact O-N 3.08Å
1275V98.2Very high88.1Confident0 Ų029.1 Ų29.10%017%0.173CC..EExtended strand (participates in β ladder)trans-126.6119.1170.6178.90000109.3T1180 L1181 V1182 V1273 V1277 A1303 C1304 R1309 A1312 Y1313 A1316T1180-V1275 HydrophobicContact CG2-CG1 3.72Å; L1181-V1275 CarbonylContact O-C 3.53Å; L1181-V1275 VanDerWaalsContact O-CA 3.28Å; L1181-V1275 WeakPolarHBondContact O-CA 3.37Å; V1182-V1275 HydrophobicContact CG1-CG2 4.29Å; V1182-V1275 HydrophobicContact CG2-CG2 4.17Å; V1273-V1275 HydrophobicContact CG1-CG2 4.44Å; V1275-V1277 HydrophobicContact CG1-CG2 4.28Å; V1275-A1303 VanDerWaalsContact O-CA 3.23Å; V1275-A1303 WeakPolarHBondContact O-CA 3.28Å; V1275-A1303 WeakPolarHBondContact O-CB 3.42Å; V1275-C1304 PolarHBondContact N-O 3.33Å; V1275-C1304 PolarHBondContact O-N 3.21Å; V1275-R1309 HydrophobicContact CG2-CB 4.42Å; V1275-A1312 HydrophobicContact CB-CB 3.91Å; V1275-A1312 HydrophobicContact CG2-CB 3.49Å; V1275-A1312 VanDerWaalsContact CG2-CB 3.49Å; V1275-Y1313 HydrophobicContact CG1-CD2 3.9Å; V1275-Y1313 HydrophobicContact CG1-CG 4.5Å; V1275-A1316 WeakPolarHBondContact O-CB 3.37Å
1276K97.4Very high87.7Confident1 Ų128.9 Ų28.90%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-94.3130174.1168.2-105.1167.1-176.20109.3S1176 G1177 A1179 T1180 L1181 F1239 E1301 V1302 A1303S1176-K1276 PolarHBondContact O-NZ 3.29Å; G1177-K1276 PolarHBondContact O-NZ 3.18Å; A1179-K1276 PolarHBondContact O-NZ 2.92Å; T1180-K1276 CarbonylContact C-O 3.58Å; T1180-K1276 WeakPolarHBondContact CA-O 3.44Å; T1180-K1276 WeakPolarHBondContact CG2-O 3.41Å; L1181-K1276 HydrophobicContact CB-CB 4.34Å; L1181-K1276 HydrophobicContact CB-CD 4.21Å; L1181-K1276 HydrophobicContact CD1-CD 3.98Å; L1181-K1276 HydrophobicContact CG-CD 3.91Å; L1181-K1276 PolarHBondContact N-O 3Å; L1181-K1276 PolarHBondContact O-N 2.87Å; F1239-K1276 HydrophobicContact CD1-CB 4Å; F1239-K1276 HydrophobicContact CD2-CB 3.86Å; F1239-K1276 HydrophobicContact CE1-CB 3.94Å; F1239-K1276 HydrophobicContact CE2-CB 3.84Å; F1239-K1276 HydrophobicContact CG-CB 3.96Å; F1239-K1276 HydrophobicContact CZ-CB 3.88Å; K1276-E1301 WeakPolarHBondContact CE-OE2 3.4Å; K1276-E1301 HydrophobicContact CG-CB 4.12Å; K1276-E1301 IonicContact NZ-OE2 2.97Å; K1276-V1302 CarbonylContact C-O 3.46Å; K1276-V1302 VanDerWaalsContact CA-O 3.3Å; K1276-V1302 WeakPolarHBondContact CA-O 3.49Å; K1276-A1303 HydrophobicContact CB-CB 4.13Å
1277V96.9Very high87.2Confident5 Ų529 Ų293%0.0318%0.183CC..EExtended strand (participates in β ladder)trans-120.5135.8176.5177.50000108.5T1180 V1275 E1301 V1302 Y1313 A1316 M1317 T1320T1180-V1277 HydrophobicContact CG2-CG2 4.05Å; V1275-V1277 HydrophobicContact CG1-CG2 4.28Å; V1277-E1301 WeakPolarHBondContact O-CA 3.23Å; V1277-V1302 HydrophobicContact CB-CG2 4.19Å; V1277-V1302 PolarHBondContact N-O 3.04Å; V1277-V1302 PolarHBondContact O-N 3.41Å; V1277-Y1313 HydrophobicContact CG2-CD2 4.26Å; V1277-Y1313 HydrophobicContact CG2-CE2 4.32Å; V1277-A1316 HydrophobicContact CB-CB 4.22Å; V1277-A1316 HydrophobicContact CG2-CB 3.51Å; V1277-M1317 HydrophobicContact CG1-SD 3.83Å; V1277-M1317 HydrophobicContact CG2-CG 4.45Å; V1277-M1317 HydrophobicContact CG2-SD 4.37Å; V1277-T1320 HydrophobicContact CB-CG2 4.31Å; V1277-T1320 HydrophobicContact CG1-CG2 3.71Å
1278P95.1Very high87.2Confident6 Ų628.6 Ų28.64%0.03918%0.182CC..EExtended strand (participates in β ladder)trans-66.5144.3175.932.4-43000112.8D1178 F1280D1178-P1278 VanDerWaalsContact O-CG 3.3Å; D1178-P1278 WeakPolarHBondContact O-CG 3.13Å; P1278-F1280 HydrophobicContact CB-CD2 4.47Å; P1278-F1280 HydrophobicContact CB-CE1 4.24Å; P1278-F1280 HydrophobicContact CB-CE2 3.76Å; P1278-F1280 HydrophobicContact CB-CZ 3.61Å; P1278-F1280 HydrophobicContact CG-CD2 4.33Å; P1278-F1280 HydrophobicContact CG-CE2 3.35Å; P1278-F1280 HydrophobicContact CG-CZ 3.46Å; P1278-F1280 VanDerWaalsContact CG-CZ 3.46Å
1279Q93.6Very high87.3Confident24 Ų2424.2 Ų24.211%0.11216%0.163CC..EExtended strand (participates in β ladder)trans-99123.7167.9-175.66543.500109.5L414 S1298 T1299 G1300 T1320L414-Q1279 WeakPolarHBondContact O-CG 3.48Å; Q1279-S1298 CarbonylContact O-C 3.56Å; Q1279-S1298 WeakPolarHBondContact O-CA 3.49Å; Q1279-S1298 WeakPolarHBondContact O-CB 3.49Å; Q1279-T1299 PolarHBondContact O-N 3.01Å; Q1279-T1299 PolarHBondContact O-OG1 3.06Å; Q1279-G1300 PolarHBondContact N-O 3.02Å; Q1279-G1300 PolarHBondContact O-N 3.1Å; Q1279-T1320 VanDerWaalsContact OE1-CA 3.24Å
1280F92.8Very high87.5Confident50 Ų5023.6 Ų23.622%0.21915%0.154CC..  trans-110156.4177.8-58.2-77.5000112D1178 P1278 F1282 L1292 A1297D1178-F1280 HydrophobicContact CB-CE1 4.03Å; D1178-F1280 HydrophobicContact CB-CZ 3.96Å; P1278-F1280 HydrophobicContact CB-CD2 4.47Å; P1278-F1280 HydrophobicContact CB-CE1 4.24Å; P1278-F1280 HydrophobicContact CB-CE2 3.76Å; P1278-F1280 HydrophobicContact CB-CZ 3.61Å; P1278-F1280 HydrophobicContact CG-CD2 4.33Å; P1278-F1280 HydrophobicContact CG-CE2 3.35Å; P1278-F1280 HydrophobicContact CG-CZ 3.46Å; P1278-F1280 VanDerWaalsContact CG-CZ 3.46Å; F1280-F1282 HydrophobicContact CB-CD2 3.5Å; F1280-F1282 HydrophobicContact CB-CE2 3.46Å; F1280-F1282 VanDerWaalsContact CB-CE2 3.46Å; F1280-F1282 HydrophobicContact CB-CG 4.32Å; F1280-F1282 HydrophobicContact CB-CZ 4.25Å; F1280-F1282 HydrophobicContact CD1-CD2 4.41Å; F1280-F1282 AromaticContact CD1-CE2 3.5Å; F1280-F1282 HydrophobicContact CD1-CE2 3.5Å; F1280-F1282 AromaticContact CD1-CZ 3.67Å; F1280-F1282 HydrophobicContact CD1-CZ 3.67Å; F1280-F1282 AromaticContact CD2-CE2 3.99Å; F1280-F1282 HydrophobicContact CD2-CE2 3.99Å; F1280-F1282 HydrophobicContact CE1-CE2 4.22Å; F1280-F1282 HydrophobicContact CE1-CZ 4.24Å; F1280-F1282 AromaticContact CG-CD2 3.97Å; F1280-F1282 HydrophobicContact CG-CD2 3.97Å; F1280-F1282 AromaticContact CG-CE2 3.38Å; F1280-F1282 HydrophobicContact CG-CE2 3.38Å; F1280-F1282 HydrophobicContact CG-CZ 4.05Å; F1280-L1292 HydrophobicContact CE1-CD2 3.62Å; F1280-L1292 HydrophobicContact CE2-CD2 4.37Å; F1280-L1292 HydrophobicContact CZ-CD1 4.12Å; F1280-L1292 HydrophobicContact CZ-CD2 3.51Å; F1280-L1292 HydrophobicContact CZ-CG 4.46Å; F1280-A1297 HydrophobicContact CD1-CB 4.44Å; F1280-A1297 HydrophobicContact CE1-CB 4.38Å
1281S90.2Very high87.5Confident3 Ų323.6 Ų23.62%0.02115%0.148CC..  trans-118.330.7178.1-62.90000113.1S415 I416 S1283 R1284 L1285 T1299S415-S1281 WeakPolarHBondContact CA-OG 3.49Å; I416-S1281 PolarHBondContact N-OG 2.86Å; S1281-S1283 PolarHBondContact O-N 2.7Å; S1281-S1283 VanDerWaalsContact O-N 3.11Å; S1281-R1284 WeakPolarHBondContact O-CB 3.35Å; S1281-R1284 PolarHBondContact O-N 3.4Å; S1281-L1285 PolarHBondContact O-N 2.53Å; S1281-T1299 PolarHBondContact OG-OG1 2.89Å
1282F88Confident87.8Confident13 Ų1322.9 Ų22.96%0.05713%0.13CC..THydrogen-bonded Turntrans-59.1-24.9-176.9-63.3-57.8000114.3F759 F1280 R1284 L1285 A1288 V1290 L1292 A1297 R1432 V1435F759-F1282 HydrophobicContact CE1-CE1 4.2Å; F1280-F1282 HydrophobicContact CB-CD2 3.5Å; F1280-F1282 HydrophobicContact CB-CE2 3.46Å; F1280-F1282 VanDerWaalsContact CB-CE2 3.46Å; F1280-F1282 HydrophobicContact CB-CG 4.32Å; F1280-F1282 HydrophobicContact CB-CZ 4.25Å; F1280-F1282 HydrophobicContact CD1-CD2 4.41Å; F1280-F1282 AromaticContact CD1-CE2 3.5Å; F1280-F1282 HydrophobicContact CD1-CE2 3.5Å; F1280-F1282 AromaticContact CD1-CZ 3.67Å; F1280-F1282 HydrophobicContact CD1-CZ 3.67Å; F1280-F1282 AromaticContact CD2-CE2 3.99Å; F1280-F1282 HydrophobicContact CD2-CE2 3.99Å; F1280-F1282 HydrophobicContact CE1-CE2 4.22Å; F1280-F1282 HydrophobicContact CE1-CZ 4.24Å; F1280-F1282 AromaticContact CG-CD2 3.97Å; F1280-F1282 HydrophobicContact CG-CD2 3.97Å; F1280-F1282 AromaticContact CG-CE2 3.38Å; F1280-F1282 HydrophobicContact CG-CE2 3.38Å; F1280-F1282 HydrophobicContact CG-CZ 4.05Å; F1282-R1284 PolarHBondContact O-N 3.26Å; F1282-L1285 PolarHBondContact O-N 3.43Å; F1282-A1288 HydrophobicContact CD1-CB 4.04Å; F1282-V1290 HydrophobicContact CB-CG2 4.45Å; F1282-V1290 HydrophobicContact CD2-CB 4.39Å; F1282-V1290 HydrophobicContact CD2-CG1 3.72Å; F1282-V1290 HydrophobicContact CD2-CG2 4.34Å; F1282-V1290 HydrophobicContact CE2-CB 4.48Å; F1282-V1290 HydrophobicContact CE2-CG1 3.76Å; F1282-V1290 HydrophobicContact CG-CG1 4.48Å; F1282-V1290 HydrophobicContact CG-CG2 4.32Å; F1282-L1292 HydrophobicContact CZ-CD2 4.45Å; F1282-A1297 HydrophobicContact CE1-CB 4.16Å; F1282-A1297 HydrophobicContact CZ-CB 4.02Å; F1282-R1432 PolarHBondContact O-NH1 2.96Å; F1282-R1432 PolarHBondContact O-NH2 3.03Å; F1282-V1435 HydrophobicContact CB-CG1 4.01Å
1283S80.7Confident87.4Confident49 Ų4923 Ų2334%0.34314%0.137SC..THydrogen-bonded Turntrans-65.2-25.917553.20000113.2S1281S1281-S1283 PolarHBondContact O-N 2.7Å; S1281-S1283 VanDerWaalsContact O-N 3.11Å
1284R80.1Confident86.8Confident23 Ų2323.6 Ų23.69%0.08714%0.141CC..THydrogen-bonded Turntrans-89-27.9178.3-64.3-82.5-180-168.8-9.5113I416 L570 G571 S1281 F1282 A1286I416-R1284 HydrophobicContact CB-CB 4.17Å; I416-R1284 HydrophobicContact CB-CG 3.95Å; I416-R1284 HydrophobicContact CD1-CB 4.23Å; I416-R1284 HydrophobicContact CG2-CB 4.09Å; I416-R1284 HydrophobicContact CG2-CG 3.99Å; I416-R1284 PolarHBondContact O-NE 3.29Å; L570-R1284 VanDerWaalsContact C-NH2 3.28Å; L570-R1284 PolarHBondContact O-NH1 3.48Å; L570-R1284 PolarHBondContact O-NH2 2.86Å; G571-R1284 PolarHBondContact O-NH1 3.27Å; S1281-R1284 WeakPolarHBondContact O-CB 3.35Å; S1281-R1284 PolarHBondContact O-N 3.4Å; F1282-R1284 PolarHBondContact O-N 3.26Å; R1284-A1286 PolarHBondContact O-N 3.02Å
1285L84.1Confident86.1Confident5 Ų526.9 Ų26.93%0.02616%0.157CC..SBendtrans-96.373.6-176.2-60.1174.6000109.3I416 L756 F759 V762 S1281 F1282 G1287 A1288 R1432I416-L1285 HydrophobicContact CD1-CD1 4.29Å; I416-L1285 HydrophobicContact CD1-CD2 3.96Å; I416-L1285 HydrophobicContact CD1-CG 4.06Å; L756-L1285 HydrophobicContact CD2-CD2 3.78Å; F759-L1285 HydrophobicContact CD2-CD1 3.89Å; F759-L1285 HydrophobicContact CE1-CD1 4.12Å; F759-L1285 HydrophobicContact CE2-CD1 3.44Å; F759-L1285 VanDerWaalsContact CE2-CD1 3.44Å; F759-L1285 HydrophobicContact CG-CD1 4.4Å; F759-L1285 HydrophobicContact CZ-CD1 3.57Å; V762-L1285 HydrophobicContact CG1-CB 4.36Å; V762-L1285 HydrophobicContact CG1-CD2 4.18Å; V762-L1285 HydrophobicContact CG2-CB 3.92Å; S1281-L1285 PolarHBondContact O-N 2.53Å; F1282-L1285 PolarHBondContact O-N 3.43Å; L1285-G1287 PolarHBondContact O-N 2.98Å; L1285-A1288 HydrophobicContact CB-CB 3.86Å; L1285-A1288 WeakPolarHBondContact O-CB 3.25Å; L1285-A1288 PolarHBondContact O-N 3.47Å; L1285-R1432 PolarHBondContact O-NH1 3.44Å
1286A76.5Confident85.5Confident54 Ų5427.2 Ų27.245%0.44616%0.158SC..THydrogen-bonded Turntrans-55.1126.4178.400000110.7V762 R1284V762-A1286 WeakPolarHBondContact CA-O 3.24Å; R1284-A1286 PolarHBondContact O-N 3.02Å
1287G76.7Confident85.1Confident16 Ų1627.8 Ų27.817%0.16516%0.163CC..THydrogen-bonded Turntrans93.8-15.3-174.400000115.1R761 L1285 D1289 Y1428R761-G1287 WeakPolarHBondContact CB-O 3.33Å; L1285-G1287 PolarHBondContact O-N 2.98Å; G1287-D1289 PolarHBondContact O-N 2.66Å; G1287-Y1428 PolarHBondContact O-OH 3.31Å
1288A83.7Confident84.9Confident3 Ų327.5 Ų27.53%0.02516%0.162CC..  trans-61.9136174.400000110.9F759 V762 F1282 L1285 R1432F759-A1288 HydrophobicContact CD1-CB 3.92Å; F759-A1288 HydrophobicContact CG-CB 4.43Å; V762-A1288 HydrophobicContact CG2-CB 3.69Å; F1282-A1288 HydrophobicContact CD1-CB 4.04Å; L1285-A1288 HydrophobicContact CB-CB 3.86Å; L1285-A1288 WeakPolarHBondContact O-CB 3.25Å; L1285-A1288 PolarHBondContact O-N 3.47Å; A1288-R1432 PolarHBondContact O-NH1 3.45Å; A1288-R1432 VanDerWaalsContact O-NH1 3.12Å
1289D80.2Confident84.7Confident50 Ų5028.1 Ų28.127%0.26717%0.165SC..  trans-83144.7168.4-161.2-5.7000109.5G1287 Q1291 Y1428 R1431G1287-D1289 PolarHBondContact O-N 2.66Å; D1289-Q1291 PolarHBondContact O-N 2.91Å; D1289-Y1428 HydrophobicContact CB-CD2 4.1Å; D1289-Y1428 HydrophobicContact CB-CE2 4.17Å; D1289-R1431 IonicContact OD1-CZ 3.63Å; D1289-R1431 IonicContact OD1-NE 3.96Å; D1289-R1431 PolarHBondContact OD1-NE 3.48Å; D1289-R1431 IonicContact OD1-NH2 3.49Å; D1289-R1431 PolarHBondContact OD1-NH2 2.99Å; D1289-R1431 IonicContact OD2-NH2 3.98Å; D1289-R1431 PolarHBondContact OD2-NH2 3.43Å
1290V81.7Confident84.6Confident14 Ų1427.2 Ų27.29%0.08516%0.162CC..  trans-9121.7-176-166.60000110.8F1282 R1431 V1435 L1441 T1443F1282-V1290 HydrophobicContact CB-CG2 4.45Å; F1282-V1290 HydrophobicContact CD2-CB 4.39Å; F1282-V1290 HydrophobicContact CD2-CG1 3.72Å; F1282-V1290 HydrophobicContact CD2-CG2 4.34Å; F1282-V1290 HydrophobicContact CE2-CB 4.48Å; F1282-V1290 HydrophobicContact CE2-CG1 3.76Å; F1282-V1290 HydrophobicContact CG-CG1 4.48Å; F1282-V1290 HydrophobicContact CG-CG2 4.32Å; V1290-R1431 HydrophobicContact CG2-CB 4.38Å; V1290-V1435 HydrophobicContact CG2-CG2 3.6Å; V1290-L1441 HydrophobicContact CB-CD2 4.08Å; V1290-L1441 HydrophobicContact CG1-CD2 3.85Å; V1290-L1441 HydrophobicContact CG2-CD2 4.12Å; V1290-T1443 HydrophobicContact CG1-CG2 4.38Å; V1290-T1443 PolarHBondContact O-OG1 2.85Å
1291Q79Confident84.6Confident85 Ų8524.9 Ų24.940%0.39715%0.152SC..  trans-89.7130.1176.7-70.3-172.18.900109.6D1289 P1411D1289-Q1291 PolarHBondContact O-N 2.91Å; Q1291-P1411 HydrophobicContact CG-CG 4.14Å
1292L85.8Confident84.9Confident48 Ų4824.8 Ų24.825%0.25115%0.151SC..  trans-85155.8175.7-52.3-178.5000110.5V1174 D1178 F1280 F1282V1174-L1292 HydrophobicContact CG1-CB 4.06Å; V1174-L1292 HydrophobicContact CG1-CD1 3.97Å; V1174-L1292 HydrophobicContact CG2-CB 4.06Å; D1178-L1292 HydrophobicContact CB-CD1 4.22Å; D1178-L1292 HydrophobicContact CB-CD2 4.17Å; F1280-L1292 HydrophobicContact CE1-CD2 3.62Å; F1280-L1292 HydrophobicContact CE2-CD2 4.37Å; F1280-L1292 HydrophobicContact CZ-CD1 4.12Å; F1280-L1292 HydrophobicContact CZ-CD2 3.51Å; F1280-L1292 HydrophobicContact CZ-CG 4.46Å; F1282-L1292 HydrophobicContact CZ-CD2 4.45Å
1293G84Confident85.4Confident26 Ų2624.1 Ų24.127%0.26815%0.148SC..  trans-159.9-159.7179.100000112.2G1173 V1174 H1175 E1295G1173-G1293 CarbonylContact O-C 3.58Å; G1173-G1293 WeakPolarHBondContact O-CA 3.5Å; V1174-G1293 WeakPolarHBondContact CA-O 3.33Å; H1175-G1293 PolarHBondContact N-O 2.96Å; G1293-E1295 VanDerWaalsContact C-N 3.33Å
1294V81.7Confident86.2Confident21 Ų2121.8 Ų21.813%0.12713%0.132CC..SBendtrans-74.8-22.6-179.2-64.90000113.2L1100 M1112 V1114 F1142 G1173 H1175L1100-V1294 HydrophobicContact CD1-CG1 4.04Å; L1100-V1294 HydrophobicContact CD1-CG2 4.28Å; M1112-V1294 HydrophobicContact CB-CB 4.31Å; M1112-V1294 HydrophobicContact CB-CG2 3.64Å; M1112-V1294 HydrophobicContact CE-CB 4.28Å; V1114-V1294 HydrophobicContact CG2-CG1 4.17Å; V1114-V1294 HydrophobicContact CG2-CG2 4.49Å; F1142-V1294 HydrophobicContact CE2-CG1 4.24Å; G1173-V1294 PolarHBondContact O-N 3.31Å; H1175-V1294 PolarHBondContact CD2-O 3.2Å
1295E81Confident86.9Confident69 Ų6920.7 Ų20.732%0.32213%0.128SC..SBendtrans-91.1130.7170.5-173.4171.3-160.100109.1K758 G1293K758-E1295 WeakPolarHBondContact CG-OE1 3.41Å; G1293-E1295 VanDerWaalsContact C-N 3.33Å
1296M86.4Confident87.4Confident7 Ų720.5 Ų20.53%0.03413%0.126CC..  trans-71140.1-175.9-173.9-179.9141.300112.2I959 G960 H1175 D1178 R1235 S1298I959-M1296 HydrophobicContact CG2-CB 4.19Å; I959-M1296 HydrophobicContact CG2-CE 3.97Å; I959-M1296 HydrophobicContact CG2-CG 3.99Å; I959-M1296 WeakPolarHBondContact CG2-O 3.45Å; I959-M1296 HydrophobicContact CG2-SD 4.47Å; G960-M1296 VanDerWaalsContact CA-SD 3.5Å; H1175-M1296 HydrophobicContact CB-CB 4.31Å; D1178-M1296 VanDerWaalsContact OD1-CG 3.28Å; D1178-M1296 WeakPolarHBondContact OD1-CG 3.39Å; D1178-M1296 WeakPolarHBondContact OD2-CA 3.47Å; R1235-M1296 PolarHBondContact NH1-SD 3.02Å; M1296-S1298 WeakPolarHBondContact CE-O 3.38Å; M1296-S1298 WeakPolarHBondContact CE-OG 3.45Å
1297A89.5Confident88.1Confident12 Ų1221.5 Ų21.510%0.09913%0.125CC..  trans-122.1-15.4177.500000114.4F759 D1178 F1280 F1282F759-A1297 HydrophobicContact CE1-CB 4.1Å; F759-A1297 HydrophobicContact CZ-CB 4.35Å; D1178-A1297 PolarHBondContact OD1-N 3.37Å; D1178-A1297 PolarHBondContact OD2-N 3.03Å; F1280-A1297 HydrophobicContact CD1-CB 4.44Å; F1280-A1297 HydrophobicContact CE1-CB 4.38Å; F1282-A1297 HydrophobicContact CE1-CB 4.16Å; F1282-A1297 HydrophobicContact CZ-CB 4.02Å
1298S91.9Very high88.8Confident0 Ų023.6 Ų23.60%013%0.132CC..  trans-69.5142.4-178.688.50000112G1177 D1178 Q1279 M1296 G1300G1177-S1298 PolarHBondContact O-OG 3.03Å; D1178-S1298 WeakPolarHBondContact OD1-CB 3.41Å; D1178-S1298 PolarHBondContact OD1-N 3.1Å; D1178-S1298 PolarHBondContact OD1-OG 3.16Å; Q1279-S1298 CarbonylContact O-C 3.56Å; Q1279-S1298 WeakPolarHBondContact O-CA 3.49Å; Q1279-S1298 WeakPolarHBondContact O-CB 3.49Å; M1296-S1298 WeakPolarHBondContact CE-O 3.38Å; M1296-S1298 WeakPolarHBondContact CE-OG 3.45Å; S1298-G1300 PolarHBondContact OG-O 2.62Å
1299T90.3Very high89.4Confident19 Ų1925.6 Ų25.612%0.11714%0.139CC..SBendtrans-94.7-16.7176.449.40000112.4L414 I416 V773 I959 Q1279 S1281L414-T1299 CarbonylContact O-C 3.45Å; L414-T1299 PolarHBondContact O-OG1 2.96Å; I416-T1299 HydrophobicContact CG1-CG2 4.31Å; V773-T1299 HydrophobicContact CG1-CG2 4.36Å; I959-T1299 HydrophobicContact CG1-CG2 4.4Å; Q1279-T1299 PolarHBondContact O-N 3.01Å; Q1279-T1299 PolarHBondContact O-OG1 3.06Å; S1281-T1299 PolarHBondContact OG-OG1 2.89Å
1300G91.8Very high90.1Very high4 Ų425 Ų254%0.04113%0.133CC..EExtended strand (participates in β ladder)trans-167.5-161.4178.100000111.5L414 Q1279 S1298L414-G1300 PolarHBondContact O-N 3.14Å; Q1279-G1300 PolarHBondContact N-O 3.02Å; Q1279-G1300 PolarHBondContact O-N 3.1Å; S1298-G1300 PolarHBondContact OG-O 2.62Å
1301E93.9Very high90.7Very high2 Ų224.6 Ų24.61%0.00913%0.13CC..EExtended strand (participates in β ladder)trans-154157.4179.653.1-173.1-12800111.5A448 R1235 K1276 V1277A448-E1301 HydrophobicContact CB-CG 4.21Å; R1235-E1301 IonicContact CZ-OE2 3.4Å; R1235-E1301 IonicContact NH2-OE2 3.24Å; R1235-E1301 PolarHBondContact NH2-OE2 2.88Å; K1276-E1301 WeakPolarHBondContact CE-OE2 3.4Å; K1276-E1301 HydrophobicContact CG-CB 4.12Å; K1276-E1301 IonicContact NZ-OE2 2.97Å; V1277-E1301 WeakPolarHBondContact O-CA 3.23Å
1302V96.1Very high91.5Very high0 Ų020.5 Ų20.50%011%0.111CC..EExtended strand (participates in β ladder)trans-130.9154171.9-64.70000109G413 P445 K1276 V1277 A1316 T1320G413-V1302 VanDerWaalsContact CA-CG1 3.45Å; P445-V1302 HydrophobicContact CB-CB 4.26Å; P445-V1302 HydrophobicContact CB-CG1 4.41Å; P445-V1302 HydrophobicContact CG-CG1 4.33Å; P445-V1302 CarbonylContact O-C 3.53Å; P445-V1302 VanDerWaalsContact O-CA 3.27Å; P445-V1302 WeakPolarHBondContact O-CA 3.5Å; K1276-V1302 CarbonylContact C-O 3.46Å; K1276-V1302 VanDerWaalsContact CA-O 3.3Å; K1276-V1302 WeakPolarHBondContact CA-O 3.49Å; V1277-V1302 HydrophobicContact CB-CG2 4.19Å; V1277-V1302 PolarHBondContact N-O 3.04Å; V1277-V1302 PolarHBondContact O-N 3.41Å; V1302-A1316 WeakPolarHBondContact CG2-O 3.28Å; V1302-T1320 HydrophobicContact CG2-CG2 3.49Å; V1302-T1320 VanDerWaalsContact CG2-CG2 3.49Å
1303A97.4Very high92.1Very high0 Ų018.4 Ų18.40%010%0.1CC..EExtended strand (participates in β ladder)trans-141.7149.7168.100000111.7P445 I447 F1239 V1275 K1276P445-A1303 PolarHBondContact O-N 3.21Å; I447-A1303 HydrophobicContact CB-CB 3.8Å; I447-A1303 HydrophobicContact CD1-CB 3.82Å; I447-A1303 HydrophobicContact CG1-CB 4.38Å; I447-A1303 HydrophobicContact CG2-CB 3.45Å; I447-A1303 VanDerWaalsContact CG2-CB 3.45Å; F1239-A1303 HydrophobicContact CD2-CB 3.75Å; F1239-A1303 HydrophobicContact CE2-CB 3.88Å; V1275-A1303 VanDerWaalsContact O-CA 3.23Å; V1275-A1303 WeakPolarHBondContact O-CA 3.28Å; V1275-A1303 WeakPolarHBondContact O-CB 3.42Å; K1276-A1303 HydrophobicContact CB-CB 4.13Å
1304C97.6Very high92.6Very high0 Ų017.1 Ų17.10%09%0.087CC..EExtended strand (participates in β ladder)trans-131.7158.3173.7-67.20000109.8F462 V1275 K1315 A1316 S1319F462-C1304 PolarHBondContact O-SG 3.16Å; V1275-C1304 PolarHBondContact N-O 3.33Å; V1275-C1304 PolarHBondContact O-N 3.21Å; C1304-K1315 HydrophobicContact CB-CB 3.46Å; C1304-K1315 VanDerWaalsContact CB-CB 3.46Å; C1304-K1315 VanDerWaalsContact SG-C 3.53Å; C1304-A1316 HydrophobicContact CB-CB 4.11Å; C1304-S1319 PolarHBondContact SG-OG 2.91Å; C1304-S1319 VanDerWaalsContact SG-OG 3.36Å
1305F96.7Very high93.4Very high0 Ų016.1 Ų16.10%08%0.081CC..EExtended strand (participates in β ladder)trans-102158.7176.9-55.5-40.2000111.2I447 F462 T1243 K1272 V1273 T1468 D1469 M1471I447-F1305 HydrophobicContact CD1-CE1 3.88Å; I447-F1305 HydrophobicContact CD1-CZ 3.79Å; F462-F1305 HydrophobicContact CB-CD2 4.26Å; F462-F1305 HydrophobicContact CB-CE2 4.24Å; F462-F1305 AromaticContact CD2-CD2 3.96Å; F462-F1305 HydrophobicContact CD2-CD2 3.96Å; F462-F1305 AromaticContact CD2-CE2 3.28Å; F462-F1305 HydrophobicContact CD2-CE2 3.28Å; F462-F1305 AromaticContact CD2-CZ 3.92Å; F462-F1305 HydrophobicContact CD2-CZ 3.92Å; F462-F1305 AromaticContact CE2-CE2 3.74Å; F462-F1305 HydrophobicContact CE2-CE2 3.74Å; F462-F1305 HydrophobicContact CE2-CZ 4.16Å; F462-F1305 HydrophobicContact CG-CD2 4.35Å; F462-F1305 AromaticContact CG-CE2 3.84Å; F462-F1305 HydrophobicContact CG-CE2 3.84Å; F462-F1305 HydrophobicContact CG-CZ 4.2Å; T1243-F1305 HydrophobicContact CG2-CE1 4.39Å; K1272-F1305 HydrophobicContact CD-CD2 4.3Å; K1272-F1305 HydrophobicContact CD-CG 4.23Å; V1273-F1305 CarbonylContact O-C 3.59Å; V1273-F1305 WeakPolarHBondContact O-CA 3.02Å; F1305-T1468 HydrophobicContact CB-CG2 4.08Å; F1305-T1468 WeakPolarHBondContact CB-O 3.02Å; F1305-T1468 WeakPolarHBondContact CD2-O 3.38Å; F1305-D1469 VanDerWaalsContact O-OD1 3.13Å; F1305-M1471 HydrophobicContact CE2-CG 3.98Å; F1305-M1471 HydrophobicContact CE2-SD 4.09Å; F1305-M1471 HydrophobicContact CZ-SD 4.15Å
1306G94Very high94.1Very high0 Ų012.9 Ų12.90%07%0.066CC..EExtended strand (participates in β ladder)trans-162.6165.3175.200000110.6V1273 N1308 T1468V1273-G1306 PolarHBondContact N-O 2.96Å; V1273-G1306 PolarHBondContact O-N 3.37Å; G1306-N1308 PolarHBondContact O-N 3.36Å; G1306-T1468 VanDerWaalsContact C-CG2 3.45Å
1307D90.6Very high94.5Very high76 Ų7613.5 Ų13.541%0.4067%0.069SC..SBendtrans-71.4-17.8177.7-59.4-9.7000111E1311 K1465 T1468D1307-E1311 PolarHBondContact N-OE2 3.41Å; D1307-K1465 IonicContact OD1-NZ 2.81Å; D1307-K1465 IonicContact OD2-NZ 3.82Å; D1307-K1465 PolarHBondContact OD2-NZ 3.35Å; D1307-T1468 PolarHBondContact OD1-OG1 3.01Å
1308N92.1Very high94.8Very high59 Ų5913.6 Ų13.632%0.3167%0.067SC..SBendtrans-148.4170.4172.459.361.6000110G1306 Y1310 E1311 A1312G1306-N1308 PolarHBondContact O-N 3.36Å; N1308-Y1310 HydrophobicContact CB-CD2 4.48Å; N1308-Y1310 PolarHBondContact O-N 3.13Å; N1308-Y1310 VanDerWaalsContact O-N 3.16Å; N1308-Y1310 WeakPolarHBondContact OD1-CA 3.26Å; N1308-Y1310 VanDerWaalsContact OD1-CB 3.29Å; N1308-Y1310 WeakPolarHBondContact OD1-CB 3.37Å; N1308-Y1310 WeakPolarHBondContact OD1-CD2 3.38Å; N1308-Y1310 PolarHBondContact OD1-N 3.28Å; N1308-E1311 PolarHBondContact O-N 3.21Å; N1308-E1311 PolarHBondContact OD1-N 3.08Å; N1308-E1311 VanDerWaalsContact OD1-N 3.15Å; N1308-A1312 PolarHBondContact O-N 3.43Å
1309R94.8Very high94.9Very high45 Ų4514.3 Ų14.317%0.177%0.072CC..Hα-helixtrans-58.9-27.7-179.868.1176.9-176.7-176.50114.3V1182 Q1186 D1187 V1273 V1275 Y1313 L1450V1182-R1309 HydrophobicContact CG1-CB 3.89Å; Q1186-R1309 HydrophobicContact CG-CB 4.21Å; D1187-R1309 VanDerWaalsContact CB-NH1 3.31Å; V1273-R1309 HydrophobicContact CG1-CB 4.2Å; V1275-R1309 HydrophobicContact CG2-CB 4.42Å; R1309-Y1313 WeakPolarHBondContact O-CB 3.31Å; R1309-Y1313 PolarHBondContact O-N 2.93Å; R1309-L1450 HydrophobicContact CG-CD1 4.43Å
1310Y95.5Very high94.9Very high39 Ų3915.1 Ų15.115%0.1538%0.077CC..Hα-helixtrans-73.7-43.7-173.5-53.2-66.5000112N1308 L1314 L1450 E1453 S1454N1308-Y1310 HydrophobicContact CB-CD2 4.48Å; N1308-Y1310 PolarHBondContact O-N 3.13Å; N1308-Y1310 VanDerWaalsContact O-N 3.16Å; N1308-Y1310 WeakPolarHBondContact OD1-CA 3.26Å; N1308-Y1310 VanDerWaalsContact OD1-CB 3.29Å; N1308-Y1310 WeakPolarHBondContact OD1-CB 3.37Å; N1308-Y1310 WeakPolarHBondContact OD1-CD2 3.38Å; N1308-Y1310 PolarHBondContact OD1-N 3.28Å; Y1310-L1314 PolarHBondContact O-N 2.99Å; Y1310-L1450 HydrophobicContact CD1-CD1 3.69Å; Y1310-L1450 HydrophobicContact CE1-CD1 3.82Å; Y1310-E1453 HydrophobicContact CD1-CB 4.43Å; Y1310-E1453 HydrophobicContact CD1-CG 3.99Å; Y1310-E1453 HydrophobicContact CE1-CB 4.34Å; Y1310-E1453 VanDerWaalsContact CE1-CD 3.42Å; Y1310-E1453 HydrophobicContact CE1-CG 3.69Å; Y1310-E1453 WeakPolarHBondContact CE1-OE2 3.27Å; Y1310-S1454 VanDerWaalsContact CA-OG 3.22Å; Y1310-S1454 WeakPolarHBondContact CA-OG 3.3Å; Y1310-S1454 WeakPolarHBondContact O-CB 3.49Å; Y1310-S1454 PolarHBondContact O-OG 3.42Å
1311E95.2Very high94.7Very high4 Ų417.7 Ų17.72%0.01910%0.104CC..Hα-helixtrans-64.6-49.4173.4177.4176.8-171.100111.1D1307 N1308 Y1313 L1314 K1315 P1462 K1465D1307-E1311 PolarHBondContact N-OE2 3.41Å; N1308-E1311 PolarHBondContact O-N 3.21Å; N1308-E1311 PolarHBondContact OD1-N 3.08Å; N1308-E1311 VanDerWaalsContact OD1-N 3.15Å; E1311-Y1313 PolarHBondContact O-N 3.19Å; E1311-L1314 PolarHBondContact O-N 3.27Å; E1311-K1315 HydrophobicContact CG-CD 4.33Å; E1311-K1315 PolarHBondContact O-N 3.5Å; E1311-K1315 VanDerWaalsContact O-N 3.13Å; E1311-K1315 WeakPolarHBondContact OE1-CE 3.34Å; E1311-K1315 IonicContact OE1-NZ 3.75Å; E1311-K1315 PolarHBondContact OE1-NZ 2.96Å; E1311-P1462 HydrophobicContact CG-CB 4Å; E1311-K1465 VanDerWaalsContact CD-NZ 3.33Å; E1311-K1465 VanDerWaalsContact OE1-CE 3.32Å; E1311-K1465 WeakPolarHBondContact OE1-CE 3.48Å; E1311-K1465 IonicContact OE1-NZ 3.86Å; E1311-K1465 PolarHBondContact OE1-NZ 3.06Å; E1311-K1465 IonicContact OE2-NZ 2.68Å; E1311-K1465 PolarHBondContact OE2-NZ 3.41Å
1312A96.2Very high94.6Very high0 Ų018.5 Ų18.50%011%0.107CC..Hα-helixtrans-60.1-45-179.800000111.9V1275 N1308 L1314 K1315 A1316V1275-A1312 HydrophobicContact CB-CB 3.91Å; V1275-A1312 HydrophobicContact CG2-CB 3.49Å; V1275-A1312 VanDerWaalsContact CG2-CB 3.49Å; N1308-A1312 PolarHBondContact O-N 3.43Å; A1312-L1314 PolarHBondContact O-N 2.93Å; A1312-K1315 PolarHBondContact O-N 2.94Å; A1312-A1316 WeakPolarHBondContact O-CB 3.4Å; A1312-A1316 PolarHBondContact O-N 3.21Å
1313Y97.2Very high94.2Very high3 Ų325.2 Ų25.21%0.01214%0.139CC..Hα-helixtrans-61.8-44.3178.4177.9-108.3000112.4T1180 V1275 V1277 R1309 E1311 A1316 M1317 L1450 L1451T1180-Y1313 HydrophobicContact CG2-CD2 3.85Å; T1180-Y1313 HydrophobicContact CG2-CE2 3.82Å; V1275-Y1313 HydrophobicContact CG1-CD2 3.9Å; V1275-Y1313 HydrophobicContact CG1-CG 4.5Å; V1277-Y1313 HydrophobicContact CG2-CD2 4.26Å; V1277-Y1313 HydrophobicContact CG2-CE2 4.32Å; R1309-Y1313 WeakPolarHBondContact O-CB 3.31Å; R1309-Y1313 PolarHBondContact O-N 2.93Å; E1311-Y1313 PolarHBondContact O-N 3.19Å; Y1313-A1316 PolarHBondContact O-N 2.94Å; Y1313-M1317 HydrophobicContact CD1-CG 4.21Å; Y1313-M1317 HydrophobicContact CD2-CG 4.11Å; Y1313-M1317 HydrophobicContact CE1-CG 3.78Å; Y1313-M1317 HydrophobicContact CE2-CG 3.68Å; Y1313-M1317 HydrophobicContact CE2-SD 3.95Å; Y1313-M1317 HydrophobicContact CG-CG 4.38Å; Y1313-M1317 WeakPolarHBondContact O-CB 3.27Å; Y1313-M1317 WeakPolarHBondContact O-CG 3.12Å; Y1313-M1317 PolarHBondContact O-N 2.91Å; Y1313-L1450 HydrophobicContact CD1-CB 4.47Å; Y1313-L1450 HydrophobicContact CD1-CD2 3.87Å; Y1313-L1450 HydrophobicContact CD1-CG 3.66Å; Y1313-L1450 HydrophobicContact CD2-CD2 3.62Å; Y1313-L1450 HydrophobicContact CD2-CG 4.35Å; Y1313-L1450 HydrophobicContact CE1-CB 4.3Å; Y1313-L1450 HydrophobicContact CE1-CD2 4.18Å; Y1313-L1450 HydrophobicContact CE1-CG 3.96Å; Y1313-L1450 HydrophobicContact CE2-CD2 3.96Å; Y1313-L1450 HydrophobicContact CG-CD2 3.56Å; Y1313-L1450 HydrophobicContact CG-CG 3.86Å; Y1313-L1451 HydrophobicContact CE1-CB 3.92Å; Y1313-L1451 HydrophobicContact CE1-CD1 4.27Å
1314L95.8Very high93.8Very high0 Ų026.8 Ų26.80%015%0.147CC..Hα-helixtrans-67-40.8-178.5-169.456.4000111.6Y1310 E1311 A1312 M1318 I1324 L1451 M1455 N1458 P1462Y1310-L1314 PolarHBondContact O-N 2.99Å; E1311-L1314 PolarHBondContact O-N 3.27Å; A1312-L1314 PolarHBondContact O-N 2.93Å; L1314-M1318 VanDerWaalsContact O-CG 3.23Å; L1314-M1318 WeakPolarHBondContact O-CG 3.31Å; L1314-M1318 PolarHBondContact O-N 3.03Å; L1314-M1318 VanDerWaalsContact O-N 3.07Å; L1314-I1324 HydrophobicContact CD1-CD1 4.22Å; L1314-I1324 HydrophobicContact CD1-CG1 4.28Å; L1314-I1324 HydrophobicContact CD2-CD1 4.22Å; L1314-I1324 HydrophobicContact CG-CD1 4.36Å; L1314-L1451 HydrophobicContact CD1-CD1 4.34Å; L1314-M1455 HydrophobicContact CD1-CG 4.41Å; L1314-N1458 HydrophobicContact CD2-CB 4.09Å; L1314-P1462 HydrophobicContact CB-CG 4.17Å; L1314-P1462 HydrophobicContact CD2-CG 3.83Å; L1314-P1462 HydrophobicContact CG-CG 4.18Å
1315K97.1Very high93.5Very high0 Ų027 Ų270%015%0.149CC..Hα-helixtrans-62-46.5172.1-69.1176.7-173.3172.40111L463 P464 C1304 E1311 A1312 M1317 M1318 S1319 P1462 D1469L463-K1315 HydrophobicContact CD2-CD 4.15Å; P464-K1315 WeakPolarHBondContact CG-O 3.39Å; C1304-K1315 HydrophobicContact CB-CB 3.46Å; C1304-K1315 VanDerWaalsContact CB-CB 3.46Å; C1304-K1315 VanDerWaalsContact SG-C 3.53Å; E1311-K1315 HydrophobicContact CG-CD 4.33Å; E1311-K1315 PolarHBondContact O-N 3.5Å; E1311-K1315 VanDerWaalsContact O-N 3.13Å; E1311-K1315 WeakPolarHBondContact OE1-CE 3.34Å; E1311-K1315 IonicContact OE1-NZ 3.75Å; E1311-K1315 PolarHBondContact OE1-NZ 2.96Å; A1312-K1315 PolarHBondContact O-N 2.94Å; K1315-M1317 PolarHBondContact O-N 3.31Å; K1315-M1318 PolarHBondContact O-N 3.32Å; K1315-S1319 PolarHBondContact O-N 3Å; K1315-S1319 PolarHBondContact O-OG 3.05Å; K1315-P1462 HydrophobicContact CG-CB 4.31Å; K1315-P1462 HydrophobicContact CG-CG 4.29Å; K1315-D1469 IonicContact NZ-OD1 2.98Å; K1315-D1469 PolarHBondContact NZ-OD1 3.14Å; K1315-D1469 IonicContact NZ-OD2 2.72Å; K1315-D1469 PolarHBondContact NZ-OD2 2.82Å
1316A96.6Very high93.1Very high0 Ų035.1 Ų35.10%018%0.184CC..Hα-helixtrans-63.5-42.3-179.800000112.4V1275 V1277 V1302 C1304 A1312 Y1313 M1318 S1319 T1320V1275-A1316 WeakPolarHBondContact O-CB 3.37Å; V1277-A1316 HydrophobicContact CB-CB 4.22Å; V1277-A1316 HydrophobicContact CG2-CB 3.51Å; V1302-A1316 WeakPolarHBondContact CG2-O 3.28Å; C1304-A1316 HydrophobicContact CB-CB 4.11Å; A1312-A1316 WeakPolarHBondContact O-CB 3.4Å; A1312-A1316 PolarHBondContact O-N 3.21Å; Y1313-A1316 PolarHBondContact O-N 2.94Å; A1316-M1318 PolarHBondContact O-N 3.26Å; A1316-S1319 VanDerWaalsContact O-CB 3.32Å; A1316-S1319 WeakPolarHBondContact O-CB 3.38Å; A1316-S1319 PolarHBondContact O-N 3.29Å; A1316-S1319 VanDerWaalsContact O-N 3.16Å; A1316-T1320 PolarHBondContact O-N 3.45Å
1317M94.7Very high92.8Very high20 Ų2040.3 Ų40.310%0.09921%0.212CC..Hα-helixtrans-58.7-48.3173.4-77.2-66.7-6700111.2V1277 Y1313 K1315 S1319 T1320 F1322V1277-M1317 HydrophobicContact CG1-SD 3.83Å; V1277-M1317 HydrophobicContact CG2-CG 4.45Å; V1277-M1317 HydrophobicContact CG2-SD 4.37Å; Y1313-M1317 HydrophobicContact CD1-CG 4.21Å; Y1313-M1317 HydrophobicContact CD2-CG 4.11Å; Y1313-M1317 HydrophobicContact CE1-CG 3.78Å; Y1313-M1317 HydrophobicContact CE2-CG 3.68Å; Y1313-M1317 HydrophobicContact CE2-SD 3.95Å; Y1313-M1317 HydrophobicContact CG-CG 4.38Å; Y1313-M1317 WeakPolarHBondContact O-CB 3.27Å; Y1313-M1317 WeakPolarHBondContact O-CG 3.12Å; Y1313-M1317 PolarHBondContact O-N 2.91Å; K1315-M1317 PolarHBondContact O-N 3.31Å; M1317-S1319 PolarHBondContact O-N 3.48Å; M1317-T1320 PolarHBondContact O-N 3.06Å; M1317-T1320 PolarHBondContact O-OG1 3.49Å; M1317-F1322 HydrophobicContact CB-CB 4.2Å; M1317-F1322 HydrophobicContact CB-CD1 4.31Å; M1317-F1322 HydrophobicContact CB-CG 4.31Å; M1317-F1322 HydrophobicContact CE-CB 4.2Å; M1317-F1322 HydrophobicContact CE-CD2 3.57Å; M1317-F1322 HydrophobicContact CE-CE2 4.07Å; M1317-F1322 HydrophobicContact CE-CG 3.87Å; M1317-F1322 WeakPolarHBondContact O-CB 3.25Å; M1317-F1322 PolarHBondContact O-N 2.72Å
1318M94.5Very high92.9Very high14 Ų1437 Ų377%0.06920%0.195CC..Hα-helixtrans-59.2-32.1177.4-71.1173.57000112.7P464 Y469 L1314 K1315 A1316 T1320 G1321 I1324 K1461P464-M1318 HydrophobicContact CB-CB 4.13Å; P464-M1318 HydrophobicContact CG-CB 3.69Å; Y469-M1318 HydrophobicContact CE2-CE 3.65Å; Y469-M1318 HydrophobicContact CE2-SD 4.33Å; L1314-M1318 VanDerWaalsContact O-CG 3.23Å; L1314-M1318 WeakPolarHBondContact O-CG 3.31Å; L1314-M1318 PolarHBondContact O-N 3.03Å; L1314-M1318 VanDerWaalsContact O-N 3.07Å; K1315-M1318 PolarHBondContact O-N 3.32Å; A1316-M1318 PolarHBondContact O-N 3.26Å; M1318-T1320 PolarHBondContact O-N 3.4Å; M1318-G1321 PolarHBondContact O-N 3.33Å; M1318-G1321 VanDerWaalsContact O-N 3.16Å; M1318-I1324 HydrophobicContact CG-CG1 4.45Å; M1318-I1324 HydrophobicContact SD-CD1 3.91Å; M1318-I1324 HydrophobicContact SD-CG1 4.31Å; M1318-K1461 HydrophobicContact CE-CB 4.38Å; M1318-K1461 HydrophobicContact CE-CD 3.88Å; M1318-K1461 HydrophobicContact CE-CG 3.78Å; M1318-K1461 HydrophobicContact SD-CG 4.44Å
1319S94.5Very high92.9Very high15 Ų1534.2 Ų34.211%0.10518%0.18CC..Hα-helixtrans-66-18.3175-64.30000113.8P445 P464 C1304 K1315 A1316 M1317 G1321P445-S1319 WeakPolarHBondContact CB-OG 3.27Å; P464-S1319 WeakPolarHBondContact CA-OG 3.42Å; P464-S1319 WeakPolarHBondContact CG-OG 3.2Å; C1304-S1319 PolarHBondContact SG-OG 2.91Å; C1304-S1319 VanDerWaalsContact SG-OG 3.36Å; K1315-S1319 PolarHBondContact O-N 3Å; K1315-S1319 PolarHBondContact O-OG 3.05Å; A1316-S1319 VanDerWaalsContact O-CB 3.32Å; A1316-S1319 WeakPolarHBondContact O-CB 3.38Å; A1316-S1319 PolarHBondContact O-N 3.29Å; A1316-S1319 VanDerWaalsContact O-N 3.16Å; M1317-S1319 PolarHBondContact O-N 3.48Å; S1319-G1321 VanDerWaalsContact C-N 3.33Å
1320T91.8Very high92.9Very high36 Ų3632.2 Ų32.222%0.22117%0.172CC..THydrogen-bonded Turntrans-87.60.9174.168.60000114.3V1277 Q1279 V1302 A1316 M1317 M1318V1277-T1320 HydrophobicContact CB-CG2 4.31Å; V1277-T1320 HydrophobicContact CG1-CG2 3.71Å; Q1279-T1320 VanDerWaalsContact OE1-CA 3.24Å; V1302-T1320 HydrophobicContact CG2-CG2 3.49Å; V1302-T1320 VanDerWaalsContact CG2-CG2 3.49Å; A1316-T1320 PolarHBondContact O-N 3.45Å; M1317-T1320 PolarHBondContact O-N 3.06Å; M1317-T1320 PolarHBondContact O-OG1 3.49Å; M1318-T1320 PolarHBondContact O-N 3.4Å
1321G86.9Confident92.9Very high59 Ų5930.3 Ų30.361%0.60817%0.165SC*.THydrogen-bonded Turntrans93.52.9-172.900000114.2M1318 S1319 Q1323M1318-G1321 PolarHBondContact O-N 3.33Å; M1318-G1321 VanDerWaalsContact O-N 3.16Å; S1319-G1321 VanDerWaalsContact C-N 3.33Å; G1321-Q1323 PolarHBondContact O-N 3.15Å
1322F90.7Very high92.7Very high18 Ų1830.8 Ų30.88%0.07917%0.169CC..PPolyproline II helixtrans-61.1123.6174.6-177.9-91.1000111M1317 L1406 P1440 L1451M1317-F1322 HydrophobicContact CB-CB 4.2Å; M1317-F1322 HydrophobicContact CB-CD1 4.31Å; M1317-F1322 HydrophobicContact CB-CG 4.31Å; M1317-F1322 HydrophobicContact CE-CB 4.2Å; M1317-F1322 HydrophobicContact CE-CD2 3.57Å; M1317-F1322 HydrophobicContact CE-CE2 4.07Å; M1317-F1322 HydrophobicContact CE-CG 3.87Å; M1317-F1322 WeakPolarHBondContact O-CB 3.25Å; M1317-F1322 PolarHBondContact O-N 2.72Å; F1322-L1406 HydrophobicContact CE2-CD1 3.97Å; F1322-L1406 HydrophobicContact CZ-CD1 4.25Å; F1322-P1440 HydrophobicContact CD2-CB 3.87Å; F1322-P1440 HydrophobicContact CE2-CB 3.7Å; F1322-P1440 HydrophobicContact CZ-CB 4.45Å; F1322-L1451 HydrophobicContact CE1-CD1 3.89Å; F1322-L1451 HydrophobicContact CE2-CD2 4.06Å; F1322-L1451 HydrophobicContact CZ-CD1 3.8Å; F1322-L1451 HydrophobicContact CZ-CD2 3.68Å; F1322-L1451 HydrophobicContact CZ-CG 4.36Å
1323Q88.2Confident92.4Very high141 Ų14130.9 Ų30.966%0.65917%0.169SC*.PPolyproline II helixtrans-96.6128.2174-60.3-171.215.300109.7G1321 P1440G1321-Q1323 PolarHBondContact O-N 3.15Å; Q1323-P1440 HydrophobicContact CB-CG 4.18Å
1324I89.5Confident91.5Very high34 Ų3432 Ų3217%0.17418%0.182CC..PPolyproline II helixtrans-61.6124.8173.7-57.8179.5000108L1314 M1318 M1455 K1461L1314-I1324 HydrophobicContact CD1-CD1 4.22Å; L1314-I1324 HydrophobicContact CD1-CG1 4.28Å; L1314-I1324 HydrophobicContact CD2-CD1 4.22Å; L1314-I1324 HydrophobicContact CG-CD1 4.36Å; M1318-I1324 HydrophobicContact CG-CG1 4.45Å; M1318-I1324 HydrophobicContact SD-CD1 3.91Å; M1318-I1324 HydrophobicContact SD-CG1 4.31Å; I1324-M1455 HydrophobicContact CG2-CE 4.39Å; I1324-K1461 HydrophobicContact CD1-CG 3.95Å
1325P91.3Very high90.8Very high5 Ų533.5 Ų33.53%0.03219%0.192CC..PPolyproline II helixtrans-63.4154-178.527.4-36.3000111.3Y1354 D1405 L1406 M1455P1325-Y1354 HydrophobicContact CB-CE1 4.09Å; P1325-Y1354 HydrophobicContact CG-CE1 4.07Å; P1325-Y1354 WeakPolarHBondContact O-CE1 3.21Å; P1325-Y1354 PolarHBondContact O-OH 2.95Å; P1325-D1405 HydrophobicContact CB-CB 3.69Å; P1325-L1406 HydrophobicContact CB-CB 3.91Å; P1325-L1406 HydrophobicContact CG-CB 4.13Å; P1325-L1406 HydrophobicContact CG-CD2 4.13Å; P1325-M1455 HydrophobicContact CG-CE 3.53Å; P1325-M1455 HydrophobicContact CG-SD 4.35Å
1326K87.3Confident90.3Very high170 Ų17040 Ų4074%0.73922%0.221SC*.  trans-115.1-40.6-178.6-65.8-179.4-1761730113.2D1405K1326-D1405 PolarHBondContact N-OD2 3.23Å
1327N87.6Confident89.8Confident109 Ų10944.9 Ų44.958%0.58324%0.242SC*.SBendtrans-127.4-62.7-168.5-54-58.1000112.8Y1354 K1355 D1405N1327-Y1354 WeakPolarHBondContact O-CA 2.99Å; N1327-K1355 PolarHBondContact O-N 3.05Å; N1327-D1405 WeakPolarHBondContact CA-OD2 3.25Å; N1327-D1405 WeakPolarHBondContact CB-OD2 3.4Å; N1327-D1405 PolarHBondContact N-OD2 2.93Å
1328A92.6Very high89.6Confident7 Ų745.6 Ų45.66%0.05825%0.245CC..EExtended strand (participates in β ladder)trans-122.6134.3-163.200000113.8K1355 Y1357 Q1403 F1404 D1405 L1406A1328-K1355 WeakPolarHBondContact CA-O 3.36Å; A1328-Y1357 HydrophobicContact CB-CD2 4.28Å; A1328-Y1357 HydrophobicContact CB-CE2 3.9Å; A1328-Q1403 WeakPolarHBondContact CB-O 3.37Å; A1328-F1404 HydrophobicContact CB-CD1 4.39Å; A1328-D1405 PolarHBondContact N-OD2 3.49Å; A1328-D1405 VanDerWaalsContact N-OD2 3.13Å; A1328-D1405 PolarHBondContact O-N 2.88Å; A1328-L1406 PolarHBondContact O-N 2.63Å
1329V94.1Very high89.5Confident0 Ų046.3 Ų46.30%025%0.248CC..EExtended strand (participates in β ladder)trans-124.4129.7-179.6-176.40000110.5L1331 Y1354 K1355 L1356 Y1357 L1406 I1408V1329-L1331 HydrophobicContact CG1-CD2 3.97Å; V1329-Y1354 HydrophobicContact CG2-CD1 4.26Å; V1329-Y1354 HydrophobicContact CG2-CG 4.17Å; V1329-K1355 PolarHBondContact N-O 3.04Å; V1329-L1356 HydrophobicContact CB-CD2 3.98Å; V1329-L1356 HydrophobicContact CG2-CD2 4.48Å; V1329-Y1357 PolarHBondContact O-N 3.35Å; V1329-L1406 CarbonylContact C-O 3.45Å; V1329-L1406 WeakPolarHBondContact CA-O 3.3Å; V1329-L1406 HydrophobicContact CG1-CB 4.2Å; V1329-L1406 HydrophobicContact CG1-CD2 4.03Å; V1329-L1406 HydrophobicContact CG1-CG 4.11Å; V1329-L1406 HydrophobicContact CG2-CB 4.2Å; V1329-L1406 HydrophobicContact CG2-CD2 4.37Å; V1329-I1408 HydrophobicContact CG1-CD1 4.14Å
1330L94.8Very high89.4Confident2 Ų249.6 Ų49.61%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-97128.8174.1174.668.7000111.3Y1357 V1376 L1395 F1404 L1406 V1407 I1408 T1430L1330-Y1357 CarbonylContact C-O 3.16Å; L1330-Y1357 WeakPolarHBondContact CA-O 3.43Å; L1330-V1376 HydrophobicContact CD1-CG2 3.75Å; L1330-L1395 HydrophobicContact CD1-CD1 3.78Å; L1330-L1395 HydrophobicContact CD2-CD1 3.7Å; L1330-L1395 HydrophobicContact CG-CD1 4.4Å; L1330-F1404 HydrophobicContact CB-CD1 4.05Å; L1330-F1404 HydrophobicContact CB-CD2 3.97Å; L1330-F1404 HydrophobicContact CB-CE1 4.22Å; L1330-F1404 HydrophobicContact CB-CE2 4.11Å; L1330-F1404 HydrophobicContact CB-CG 3.93Å; L1330-F1404 HydrophobicContact CB-CZ 4.25Å; L1330-F1404 HydrophobicContact CD1-CE2 4.21Å; L1330-F1404 HydrophobicContact CD1-CZ 4.04Å; L1330-F1404 HydrophobicContact CD2-CD2 3.99Å; L1330-F1404 HydrophobicContact CD2-CE2 3.81Å; L1330-F1404 HydrophobicContact CD2-CZ 4.47Å; L1330-F1404 HydrophobicContact CG-CD2 4.48Å; L1330-F1404 HydrophobicContact CG-CE2 4.26Å; L1330-F1404 HydrophobicContact CG-CZ 4.47Å; L1330-L1406 PolarHBondContact N-O 3.45Å; L1330-V1407 HydrophobicContact CB-CG2 4.25Å; L1330-V1407 HydrophobicContact CD2-CG1 4.02Å; L1330-V1407 HydrophobicContact CD2-CG2 4.15Å; L1330-I1408 PolarHBondContact O-N 2.86Å; L1330-T1430 HydrophobicContact CD2-CG2 4.07Å
1331L93.8Very high89.4Confident0 Ų050.1 Ų50.10%026%0.262CS..EExtended strand (participates in β ladder)trans-113118.4179.6-52.8176.4000111V1329 I1346 L1356 Y1357 A1358 S1359 T1362 Y1366 I1408V1329-L1331 HydrophobicContact CG1-CD2 3.97Å; L1331-I1346 HydrophobicContact CD1-CD1 4.01Å; L1331-I1346 HydrophobicContact CD1-CG1 4.32Å; L1331-I1346 HydrophobicContact CD1-CG2 3.79Å; L1331-I1346 HydrophobicContact CD2-CD1 3.8Å; L1331-L1356 HydrophobicContact CD1-CB 4.5Å; L1331-L1356 HydrophobicContact CD1-CD1 4.43Å; L1331-Y1357 PolarHBondContact N-O 3.36Å; L1331-A1358 HydrophobicContact CB-CB 4.06Å; L1331-A1358 CarbonylContact O-C 3.57Å; L1331-A1358 WeakPolarHBondContact O-CA 3.27Å; L1331-A1358 WeakPolarHBondContact O-CB 3.4Å; L1331-S1359 PolarHBondContact O-N 3.02Å; L1331-T1362 HydrophobicContact CB-CG2 4.03Å; L1331-Y1366 HydrophobicContact CD1-CD2 4.28Å; L1331-Y1366 HydrophobicContact CD1-CE2 4.22Å; L1331-I1408 HydrophobicContact CD2-CB 4.03Å; L1331-I1408 HydrophobicContact CD2-CD1 3.75Å; L1331-I1408 HydrophobicContact CD2-CG1 4.34Å
1332S91.7Very high89.8Confident13 Ų1347.3 Ų47.39%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-132.496170.3176.80000109.8S1359 W1378 I1408 N1409 L1410S1332-S1359 PolarHBondContact OG-OG 3.42Å; S1332-W1378 WeakPolarHBondContact OG-CZ2 3.26Å; S1332-I1408 PolarHBondContact N-O 3Å; S1332-N1409 CarbonylContact O-C 3.58Å; S1332-N1409 WeakPolarHBondContact O-CA 3.49Å; S1332-L1410 PolarHBondContact O-N 3.48Å
1333I90Very high90Very high2 Ų247.1 Ų47.11%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-115.2114.6-171.2-59169.9000109H1338 K1339 L1342 T1362 Y1366 L1410I1333-H1338 HydrophobicContact CG2-CB 3.58Å; I1333-K1339 HydrophobicContact CB-CG 3.96Å; I1333-K1339 HydrophobicContact CG2-CB 4.43Å; I1333-K1339 HydrophobicContact CG2-CG 3.61Å; I1333-K1339 WeakPolarHBondContact O-CE 3.11Å; I1333-L1342 HydrophobicContact CD1-CD1 3.67Å; I1333-L1342 HydrophobicContact CG1-CD1 4.38Å; I1333-T1362 HydrophobicContact CB-CG2 4.08Å; I1333-T1362 HydrophobicContact CD1-CG2 4.27Å; I1333-T1362 HydrophobicContact CG1-CG2 4.19Å; I1333-T1362 PolarHBondContact N-OG1 3.21Å; I1333-T1362 PolarHBondContact O-OG1 3.11Å; I1333-Y1366 HydrophobicContact CD1-CE2 3.71Å; I1333-Y1366 WeakPolarHBondContact CD1-OH 3.5Å; I1333-L1410 HydrophobicContact CG1-CG 4.44Å; I1333-L1410 HydrophobicContact CG2-CB 4.35Å; I1333-L1410 HydrophobicContact CG2-CD1 4.17Å
1334G77.9Confident90.3Very high27 Ų2744 Ų4428%0.27823%0.225SC..  trans-64.8-67.1-173.600000114.4L1410G1334-L1410 PolarHBondContact N-O 2.78Å
1335S82Confident90.5Very high32 Ų3243 Ų4322%0.22422%0.221CC..SBendtrans-79.5141.5-170.3780000112.6K1337 H1338 K1339S1335-K1337 PolarHBondContact O-N 3.29Å; S1335-H1338 PolarHBondContact O-N 3.17Å; S1335-H1338 VanDerWaalsContact O-N 3.16Å; S1335-H1338 WeakPolarHBondContact OG-CB 3.46Å; S1335-H1338 PolarHBondContact OG-N 2.94Å; S1335-H1338 PolarHBondContact OG-ND1 3.45Å; S1335-K1339 WeakPolarHBondContact O-CG 3.43Å; S1335-K1339 PolarHBondContact O-N 3.07Å; S1335-K1339 VanDerWaalsContact O-N 3.12Å
1336F86.3Confident90.7Very high137 Ų13742.7 Ų42.760%0.60122%0.219SC*.Hα-helixtrans-53.2-38.8172.1176.6-94.5000111.9K1339 M1340 F1365F1336-K1339 WeakPolarHBondContact O-CB 3.47Å; F1336-K1339 PolarHBondContact O-N 2.76Å; F1336-M1340 HydrophobicContact CD1-CG 4.17Å; F1336-M1340 HydrophobicContact CE1-CG 3.64Å; F1336-M1340 HydrophobicContact CE2-CG 4.48Å; F1336-M1340 HydrophobicContact CZ-CG 3.82Å; F1336-M1340 HydrophobicContact CZ-SD 4.17Å; F1336-M1340 PolarHBondContact O-N 2.76Å; F1336-F1365 HydrophobicContact CD2-CD2 4.21Å; F1336-F1365 AromaticContact CD2-CE2 3.95Å; F1336-F1365 HydrophobicContact CD2-CE2 3.95Å; F1336-F1365 HydrophobicContact CE2-CD2 4.05Å; F1336-F1365 AromaticContact CE2-CE2 3.55Å; F1336-F1365 HydrophobicContact CE2-CE2 3.55Å; F1336-F1365 HydrophobicContact CZ-CE2 4.25Å
1337K85.4Confident91.1Very high101 Ų10139.8 Ų39.844%0.43920%0.204SC..Hα-helixtrans-59.7-47.9177.1-177.7174.1-177.6161.60113.1E1145 S1335 K1339 M1340 E1341E1145-K1337 WeakPolarHBondContact OE1-CE 3.41Å; E1145-K1337 IonicContact OE1-NZ 2.79Å; E1145-K1337 PolarHBondContact OE1-NZ 3.03Å; E1145-K1337 IonicContact OE2-NZ 2.8Å; E1145-K1337 PolarHBondContact OE2-NZ 2.94Å; S1335-K1337 PolarHBondContact O-N 3.29Å; K1337-K1339 VanDerWaalsContact C-N 3.3Å; K1337-K1339 PolarHBondContact O-N 3.22Å; K1337-M1340 PolarHBondContact O-N 3.48Å; K1337-E1341 PolarHBondContact O-N 3.42Å
1338H90Very high91.3Very high36 Ų3636.4 Ų36.417%0.16719%0.185CC..Hα-helixtrans-66-35177.3-66.1164.1000111.6I1333 S1335 M1340 E1341 L1342 L1410I1333-H1338 HydrophobicContact CG2-CB 3.58Å; S1335-H1338 PolarHBondContact O-N 3.17Å; S1335-H1338 VanDerWaalsContact O-N 3.16Å; S1335-H1338 WeakPolarHBondContact OG-CB 3.46Å; S1335-H1338 PolarHBondContact OG-N 2.94Å; S1335-H1338 PolarHBondContact OG-ND1 3.45Å; H1338-M1340 VanDerWaalsContact C-N 3.35Å; H1338-E1341 PolarHBondContact O-N 2.93Å; H1338-L1342 WeakPolarHBondContact O-CB 3.39Å; H1338-L1342 WeakPolarHBondContact O-CG 3.14Å; H1338-L1342 PolarHBondContact O-N 2.91Å; H1338-L1410 HydrophobicContact CB-CD1 3.98Å
1339K92.5Very high91.3Very high29 Ų2936 Ų3613%0.12618%0.183CC..Hα-helixtrans-61.6-43.5174.1-62.5178.6-171.2175.10111.7I1333 S1335 F1336 K1337 L1343 G1361 F1365 Y1366I1333-K1339 HydrophobicContact CB-CG 3.96Å; I1333-K1339 HydrophobicContact CG2-CB 4.43Å; I1333-K1339 HydrophobicContact CG2-CG 3.61Å; I1333-K1339 WeakPolarHBondContact O-CE 3.11Å; S1335-K1339 WeakPolarHBondContact O-CG 3.43Å; S1335-K1339 PolarHBondContact O-N 3.07Å; S1335-K1339 VanDerWaalsContact O-N 3.12Å; F1336-K1339 WeakPolarHBondContact O-CB 3.47Å; F1336-K1339 PolarHBondContact O-N 2.76Å; K1337-K1339 VanDerWaalsContact C-N 3.3Å; K1337-K1339 PolarHBondContact O-N 3.22Å; K1339-L1343 PolarHBondContact O-N 3.4Å; K1339-G1361 PolarHBondContact NZ-O 3.21Å; K1339-F1365 HydrophobicContact CB-CD1 3.59Å; K1339-F1365 HydrophobicContact CB-CD2 4.37Å; K1339-F1365 HydrophobicContact CB-CE1 3.44Å; K1339-F1365 VanDerWaalsContact CB-CE1 3.44Å; K1339-F1365 HydrophobicContact CB-CE2 4.22Å; K1339-F1365 HydrophobicContact CB-CG 4.08Å; K1339-F1365 HydrophobicContact CB-CZ 3.76Å; K1339-F1365 HydrophobicContact CD-CB 3.9Å; K1339-F1365 HydrophobicContact CD-CD1 3.95Å; K1339-F1365 HydrophobicContact CD-CD2 4.16Å; K1339-F1365 HydrophobicContact CD-CG 3.71Å; K1339-F1365 HydrophobicContact CG-CD1 4.22Å; K1339-F1365 HydrophobicContact CG-CG 4.46Å; K1339-Y1366 PolarHBondContact O-OH 3.46Å
1340M92.9Very high91.2Very high84 Ų8437.8 Ų37.841%0.41420%0.197SC..Hα-helixtrans-65-45.2174.1-76-63-58.200112.5F1336 K1337 H1338 L1342 L1343 F1365F1336-M1340 HydrophobicContact CD1-CG 4.17Å; F1336-M1340 HydrophobicContact CE1-CG 3.64Å; F1336-M1340 HydrophobicContact CE2-CG 4.48Å; F1336-M1340 HydrophobicContact CZ-CG 3.82Å; F1336-M1340 HydrophobicContact CZ-SD 4.17Å; F1336-M1340 PolarHBondContact O-N 2.76Å; K1337-M1340 PolarHBondContact O-N 3.48Å; H1338-M1340 VanDerWaalsContact C-N 3.35Å; M1340-L1342 PolarHBondContact O-N 3.43Å; M1340-L1343 WeakPolarHBondContact O-CB 3.27Å; M1340-L1343 PolarHBondContact O-N 3.25Å; M1340-F1365 HydrophobicContact CG-CE2 4.34Å; M1340-F1365 HydrophobicContact CG-CZ 3.99Å; M1340-F1365 HydrophobicContact SD-CE2 4Å; M1340-F1365 HydrophobicContact SD-CZ 3.58Å; M1340-F1365 VanDerWaalsContact SD-CZ 3.58Å
1341E92.6Very high91Very high46 Ų4645.6 Ų45.622%0.21523%0.231CC..Hα-helixtrans-64.4-37.8-179.7-178.8172.2-179.500112.6K1337 H1338 P1344 V1445 K1446 K1449K1337-E1341 PolarHBondContact O-N 3.42Å; H1338-E1341 PolarHBondContact O-N 2.93Å; E1341-P1344 WeakPolarHBondContact O-CD 3.1Å; E1341-V1445 HydrophobicContact CG-CG2 4.33Å; E1341-K1446 IonicContact OE1-NZ 2.63Å; E1341-K1446 PolarHBondContact OE1-NZ 2.62Å; E1341-K1446 IonicContact OE2-NZ 3.59Å; E1341-K1449 HydrophobicContact CG-CD 4.16Å; E1341-K1449 IonicContact OE1-NZ 3.4Å; E1341-K1449 PolarHBondContact OE1-NZ 3.06Å
1342L94.6Very high90.9Very high0 Ų048.8 Ų48.80%025%0.247CC..Hα-helixtrans-84-10-179.4-72.9179.5000114.4I1333 H1338 M1340 P1344 S1345 I1346 L1410 V1445 T1448 K1449I1333-L1342 HydrophobicContact CD1-CD1 3.67Å; I1333-L1342 HydrophobicContact CG1-CD1 4.38Å; H1338-L1342 WeakPolarHBondContact O-CB 3.39Å; H1338-L1342 WeakPolarHBondContact O-CG 3.14Å; H1338-L1342 PolarHBondContact O-N 2.91Å; M1340-L1342 PolarHBondContact O-N 3.43Å; L1342-P1344 VanDerWaalsContact C-CD 3.41Å; L1342-P1344 VanDerWaalsContact C-N 3.29Å; L1342-P1344 VanDerWaalsContact O-N 3.15Å; L1342-S1345 WeakPolarHBondContact O-CA 3.3Å; L1342-S1345 WeakPolarHBondContact O-CB 3.34Å; L1342-S1345 PolarHBondContact O-N 3Å; L1342-I1346 HydrophobicContact CB-CG1 4.23Å; L1342-I1346 WeakPolarHBondContact O-CG1 3.32Å; L1342-I1346 PolarHBondContact O-N 2.9Å; L1342-L1410 HydrophobicContact CD1-CD1 3.45Å; L1342-L1410 VanDerWaalsContact CD1-CD1 3.45Å; L1342-L1410 HydrophobicContact CD1-CG 4.44Å; L1342-V1445 HydrophobicContact CD1-CG2 4.24Å; L1342-V1445 HydrophobicContact CD2-CG2 3.94Å; L1342-V1445 HydrophobicContact CG-CG2 3.84Å; L1342-T1448 HydrophobicContact CD1-CG2 4.17Å; L1342-T1448 HydrophobicContact CD2-CG2 3.76Å; L1342-K1449 HydrophobicContact CD2-CD 4.44Å; L1342-K1449 HydrophobicContact CD2-CG 3.68Å
1343L94.7Very high90.9Very high14 Ų1451.3 Ų51.37%0.07328%0.275CS..Hα-helixtrans-49.1-42.5-178.4-179.164.3000113.8K1339 M1340 R1347 Y1366 H1369 V1371K1339-L1343 PolarHBondContact O-N 3.4Å; M1340-L1343 WeakPolarHBondContact O-CB 3.27Å; M1340-L1343 PolarHBondContact O-N 3.25Å; L1343-R1347 WeakPolarHBondContact O-CG 3.38Å; L1343-R1347 PolarHBondContact O-N 2.95Å; L1343-R1347 VanDerWaalsContact O-N 3.09Å; L1343-Y1366 HydrophobicContact CB-CE1 4.38Å; L1343-Y1366 HydrophobicContact CD1-CD1 3.77Å; L1343-Y1366 HydrophobicContact CD1-CE1 3.94Å; L1343-H1369 HydrophobicContact CD1-CB 3.76Å; L1343-H1369 HydrophobicContact CD2-CB 4.2Å; L1343-V1371 HydrophobicContact CD1-CG2 4.16Å
1344P94.2Very high91Very high76 Ų7652.9 Ų52.949%0.49428%0.281SS..Hα-helixtrans-62.9-46.2173.8-21.434.6000113.1E1341 L1342 I1346 R1347 D1348E1341-P1344 WeakPolarHBondContact O-CD 3.1Å; L1342-P1344 VanDerWaalsContact C-CD 3.41Å; L1342-P1344 VanDerWaalsContact C-N 3.29Å; L1342-P1344 VanDerWaalsContact O-N 3.15Å; P1344-I1346 PolarHBondContact O-N 3.31Å; P1344-R1347 WeakPolarHBondContact O-CB 3.26Å; P1344-R1347 PolarHBondContact O-N 3.31Å; P1344-D1348 PolarHBondContact O-N 3.07Å
1345S94.8Very high91.8Very high12 Ų1256.4 Ų56.48%0.08429%0.288CS..Hα-helixtrans-64.2-39.2179.1-56.60000112.1L1342 R1347 D1348 L1349 V1452L1342-S1345 WeakPolarHBondContact O-CA 3.3Å; L1342-S1345 WeakPolarHBondContact O-CB 3.34Å; L1342-S1345 PolarHBondContact O-N 3Å; S1345-R1347 VanDerWaalsContact C-N 3.34Å; S1345-R1347 PolarHBondContact O-N 2.96Å; S1345-D1348 PolarHBondContact O-N 3.31Å; S1345-L1349 PolarHBondContact O-N 3.39Å; S1345-V1452 WeakPolarHBondContact O-CG1 3.45Å
1346I95.5Very high92.4Very high0 Ų055.1 Ų55.10%028%0.279CS..Hα-helixtrans-67.7-36.3176.7-59.3-44.2000111.3L1331 L1342 P1344 D1348 L1349 A1350 L1356 Y1366 V1371L1331-I1346 HydrophobicContact CD1-CD1 4.01Å; L1331-I1346 HydrophobicContact CD1-CG1 4.32Å; L1331-I1346 HydrophobicContact CD1-CG2 3.79Å; L1331-I1346 HydrophobicContact CD2-CD1 3.8Å; L1342-I1346 HydrophobicContact CB-CG1 4.23Å; L1342-I1346 WeakPolarHBondContact O-CG1 3.32Å; L1342-I1346 PolarHBondContact O-N 2.9Å; P1344-I1346 PolarHBondContact O-N 3.31Å; I1346-D1348 VanDerWaalsContact C-N 3.31Å; I1346-D1348 PolarHBondContact O-N 3.01Å; I1346-L1349 HydrophobicContact CD1-CD1 4.01Å; I1346-L1349 PolarHBondContact O-N 3.05Å; I1346-A1350 PolarHBondContact O-N 3.39Å; I1346-L1356 HydrophobicContact CG2-CD1 3.81Å; I1346-Y1366 HydrophobicContact CB-CE1 4.15Å; I1346-Y1366 HydrophobicContact CG1-CE1 3.95Å; I1346-Y1366 HydrophobicContact CG1-CE2 4.04Å; I1346-Y1366 WeakPolarHBondContact CG1-OH 3.36Å; I1346-Y1366 HydrophobicContact CG2-CD1 4.34Å; I1346-Y1366 HydrophobicContact CG2-CD2 4.48Å; I1346-Y1366 HydrophobicContact CG2-CE1 4.36Å; I1346-Y1366 HydrophobicContact CG2-CE2 4.46Å; I1346-Y1366 HydrophobicContact CG2-CG 4.43Å; I1346-V1371 HydrophobicContact CG2-CG1 3.77Å
1347R94.7Very high92.8Very high108 Ų10849.6 Ų49.641%0.40825%0.254SS..Hα-helixtrans-62.6-39.7171.6-76173.1175.4163.60.2111.9L1343 P1344 S1345 A1350 K1351 H1369 V1371L1343-R1347 WeakPolarHBondContact O-CG 3.38Å; L1343-R1347 PolarHBondContact O-N 2.95Å; L1343-R1347 VanDerWaalsContact O-N 3.09Å; P1344-R1347 WeakPolarHBondContact O-CB 3.26Å; P1344-R1347 PolarHBondContact O-N 3.31Å; S1345-R1347 VanDerWaalsContact C-N 3.34Å; S1345-R1347 PolarHBondContact O-N 2.96Å; R1347-A1350 PolarHBondContact O-N 3.3Å; R1347-K1351 VanDerWaalsContact O-CG 3.29Å; R1347-K1351 WeakPolarHBondContact O-CG 3.2Å; R1347-K1351 PolarHBondContact O-N 3.34Å; R1347-H1369 PolarHBondContact NH2-O 3.46Å; R1347-V1371 HydrophobicContact CG-CG2 3.75Å
1348D92.7Very high93.1Very high38 Ų3844.8 Ų44.820%0.20323%0.233CC..Hα-helixtrans-66.6-41.1176.7-72.3-14.4000111.6P1344 S1345 I1346 A1350 K1351 M1352 V1452 R1456P1344-D1348 PolarHBondContact O-N 3.07Å; S1345-D1348 PolarHBondContact O-N 3.31Å; I1346-D1348 VanDerWaalsContact C-N 3.31Å; I1346-D1348 PolarHBondContact O-N 3.01Å; D1348-A1350 VanDerWaalsContact C-N 3.35Å; D1348-A1350 PolarHBondContact O-N 3.5Å; D1348-K1351 PolarHBondContact O-N 3.3Å; D1348-K1351 IonicContact OD1-NZ 3.78Å; D1348-K1351 PolarHBondContact OD1-NZ 3.26Å; D1348-M1352 VanDerWaalsContact O-CG 3.25Å; D1348-M1352 WeakPolarHBondContact O-CG 3.3Å; D1348-M1352 PolarHBondContact O-N 3Å; D1348-V1452 HydrophobicContact CB-CG1 3.96Å; D1348-R1456 IonicContact OD2-NE 3.18Å
1349L92.8Very high93Very high0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-58.2-44.6171.5-75.7175.7000112.4S1345 I1346 M1352 Y1354 L1356 I1408 V1452 M1455S1345-L1349 PolarHBondContact O-N 3.39Å; I1346-L1349 HydrophobicContact CD1-CD1 4.01Å; I1346-L1349 PolarHBondContact O-N 3.05Å; L1349-M1352 PolarHBondContact O-N 2.89Å; L1349-Y1354 HydrophobicContact CD2-CD2 3.83Å; L1349-Y1354 HydrophobicContact CD2-CE2 4.08Å; L1349-Y1354 WeakPolarHBondContact O-CD2 3.11Å; L1349-Y1354 PolarHBondContact O-N 3.39Å; L1349-L1356 HydrophobicContact CB-CD2 4.21Å; L1349-I1408 HydrophobicContact CD1-CD1 4.13Å; L1349-V1452 HydrophobicContact CD1-CG2 3.84Å; L1349-V1452 HydrophobicContact CD2-CG1 4.32Å; L1349-V1452 HydrophobicContact CD2-CG2 3.92Å; L1349-V1452 HydrophobicContact CG-CG1 4.05Å; L1349-V1452 HydrophobicContact CG-CG2 3.72Å; L1349-M1455 HydrophobicContact CD2-CE 4.49Å
1350A91.7Very high92.5Very high37 Ų3746.4 Ų46.431%0.30624%0.244SC..Hα-helixtrans-63-42.2176.300000112I1346 R1347 D1348 M1352 G1353 L1356I1346-A1350 PolarHBondContact O-N 3.39Å; R1347-A1350 PolarHBondContact O-N 3.3Å; D1348-A1350 VanDerWaalsContact C-N 3.35Å; D1348-A1350 PolarHBondContact O-N 3.5Å; A1350-M1352 VanDerWaalsContact C-N 3.29Å; A1350-M1352 PolarHBondContact O-N 2.81Å; A1350-G1353 PolarHBondContact O-N 2.94Å; A1350-G1353 VanDerWaalsContact O-N 3.09Å; A1350-L1356 HydrophobicContact CB-CD1 3.96Å
1351K91.3Very high92.1Very high166 Ų16644.4 Ų44.472%0.72224%0.244SC*.Hα-helixtrans-65.1-30.8176.4-73.1171.3-171.5166.70113.1R1347 D1348 G1353R1347-K1351 VanDerWaalsContact O-CG 3.29Å; R1347-K1351 WeakPolarHBondContact O-CG 3.2Å; R1347-K1351 PolarHBondContact O-N 3.34Å; D1348-K1351 PolarHBondContact O-N 3.3Å; D1348-K1351 IonicContact OD1-NZ 3.78Å; D1348-K1351 PolarHBondContact OD1-NZ 3.26Å; K1351-G1353 PolarHBondContact O-N 2.95Å
1352M91.5Very high92.1Very high67 Ų6742.3 Ų42.333%0.3324%0.235SC..THydrogen-bonded Turntrans-71.8-7.8174.5-71.2174.774.800113.1D1348 L1349 A1350 Y1354 M1455 R1456D1348-M1352 VanDerWaalsContact O-CG 3.25Å; D1348-M1352 WeakPolarHBondContact O-CG 3.3Å; D1348-M1352 PolarHBondContact O-N 3Å; L1349-M1352 PolarHBondContact O-N 2.89Å; A1350-M1352 VanDerWaalsContact C-N 3.29Å; A1350-M1352 PolarHBondContact O-N 2.81Å; M1352-Y1354 HydrophobicContact CB-CD2 3.88Å; M1352-Y1354 HydrophobicContact CB-CE2 3.79Å; M1352-Y1354 HydrophobicContact CE-CE2 3.9Å; M1352-Y1354 HydrophobicContact SD-CE2 4.23Å; M1352-M1455 HydrophobicContact CE-CB 3.84Å; M1352-M1455 HydrophobicContact CE-CE 4.38Å; M1352-R1456 HydrophobicContact SD-CB 4.15Å
1353G91.2Very high91.9Very high66 Ų6642.4 Ų42.468%0.6824%0.235SC*.THydrogen-bonded Turntrans949.8174.400000115.3A1350 K1351A1350-G1353 PolarHBondContact O-N 2.94Å; A1350-G1353 VanDerWaalsContact O-N 3.09Å; K1351-G1353 PolarHBondContact O-N 2.95Å
1354Y92.5Very high91.6Very high34 Ų3446 Ų4613%0.13326%0.255CS..  trans-71.8138.8176.6-66.2-71000111.8P1325 N1327 V1329 L1349 M1352 L1356 M1455P1325-Y1354 HydrophobicContact CB-CE1 4.09Å; P1325-Y1354 HydrophobicContact CG-CE1 4.07Å; P1325-Y1354 WeakPolarHBondContact O-CE1 3.21Å; P1325-Y1354 PolarHBondContact O-OH 2.95Å; N1327-Y1354 WeakPolarHBondContact O-CA 2.99Å; V1329-Y1354 HydrophobicContact CG2-CD1 4.26Å; V1329-Y1354 HydrophobicContact CG2-CG 4.17Å; L1349-Y1354 HydrophobicContact CD2-CD2 3.83Å; L1349-Y1354 HydrophobicContact CD2-CE2 4.08Å; L1349-Y1354 WeakPolarHBondContact O-CD2 3.11Å; L1349-Y1354 PolarHBondContact O-N 3.39Å; M1352-Y1354 HydrophobicContact CB-CD2 3.88Å; M1352-Y1354 HydrophobicContact CB-CE2 3.79Å; M1352-Y1354 HydrophobicContact CE-CE2 3.9Å; M1352-Y1354 HydrophobicContact SD-CE2 4.23Å; Y1354-L1356 PolarHBondContact O-N 3.48Å; Y1354-M1455 HydrophobicContact CE2-CE 3.75Å; Y1354-M1455 WeakPolarHBondContact OH-CE 3.07Å
1355K94.1Very high91.6Very high101 Ų10143 Ų4344%0.43923%0.234SC..EExtended strand (participates in β ladder)trans-77.7114.4169.5-171.4169-177-162.40109.6N1327 A1328 V1329 Y1357 E1374N1327-K1355 PolarHBondContact O-N 3.05Å; A1328-K1355 WeakPolarHBondContact CA-O 3.36Å; V1329-K1355 PolarHBondContact N-O 3.04Å; K1355-Y1357 HydrophobicContact CB-CE2 4.42Å; K1355-Y1357 HydrophobicContact CD-CE2 3.97Å; K1355-Y1357 WeakPolarHBondContact CD-OH 3.5Å; K1355-Y1357 WeakPolarHBondContact CE-OH 3.33Å; K1355-Y1357 HydrophobicContact CG-CD2 4.48Å; K1355-Y1357 HydrophobicContact CG-CE2 3.84Å; K1355-Y1357 PolarHBondContact NZ-OH 3.29Å; K1355-E1374 WeakPolarHBondContact CE-OE2 3.43Å; K1355-E1374 IonicContact NZ-OE2 3.2Å; K1355-E1374 PolarHBondContact NZ-OE2 2.76Å
1356L95.1Very high91.6Very high5 Ų542.4 Ų42.43%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-93.5127.7-176.7-55.1-177.6000110.8V1329 L1331 I1346 L1349 A1350 Y1354 V1371 V1373 E1374V1329-L1356 HydrophobicContact CB-CD2 3.98Å; V1329-L1356 HydrophobicContact CG2-CD2 4.48Å; L1331-L1356 HydrophobicContact CD1-CB 4.5Å; L1331-L1356 HydrophobicContact CD1-CD1 4.43Å; I1346-L1356 HydrophobicContact CG2-CD1 3.81Å; L1349-L1356 HydrophobicContact CB-CD2 4.21Å; A1350-L1356 HydrophobicContact CB-CD1 3.96Å; Y1354-L1356 PolarHBondContact O-N 3.48Å; L1356-V1371 HydrophobicContact CD1-CG1 3.81Å; L1356-V1373 HydrophobicContact CB-CB 4.25Å; L1356-V1373 HydrophobicContact CB-CG2 3.92Å; L1356-V1373 WeakPolarHBondContact O-CA 3.43Å; L1356-E1374 PolarHBondContact O-N 2.9Å
1357Y93.6Very high91.4Very high21 Ų2145.1 Ų45.18%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-112.3151.1168.3-64.2-94000109A1328 V1329 L1330 L1331 K1355 E1374 V1376 F1398 F1404A1328-Y1357 HydrophobicContact CB-CD2 4.28Å; A1328-Y1357 HydrophobicContact CB-CE2 3.9Å; V1329-Y1357 PolarHBondContact O-N 3.35Å; L1330-Y1357 CarbonylContact C-O 3.16Å; L1330-Y1357 WeakPolarHBondContact CA-O 3.43Å; L1331-Y1357 PolarHBondContact N-O 3.36Å; K1355-Y1357 HydrophobicContact CB-CE2 4.42Å; K1355-Y1357 HydrophobicContact CD-CE2 3.97Å; K1355-Y1357 WeakPolarHBondContact CD-OH 3.5Å; K1355-Y1357 WeakPolarHBondContact CE-OH 3.33Å; K1355-Y1357 HydrophobicContact CG-CD2 4.48Å; K1355-Y1357 HydrophobicContact CG-CE2 3.84Å; K1355-Y1357 PolarHBondContact NZ-OH 3.29Å; Y1357-E1374 CarbonylContact C-O 3.5Å; Y1357-E1374 VanDerWaalsContact CA-O 3.23Å; Y1357-E1374 WeakPolarHBondContact CA-O 3.34Å; Y1357-E1374 HydrophobicContact CD1-CB 3.86Å; Y1357-E1374 HydrophobicContact CD1-CG 4.16Å; Y1357-E1374 HydrophobicContact CE1-CB 4.15Å; Y1357-E1374 HydrophobicContact CE1-CG 4.17Å; Y1357-E1374 WeakPolarHBondContact CE1-OE2 3.5Å; Y1357-V1376 HydrophobicContact CD1-CG1 3.91Å; Y1357-F1398 HydrophobicContact CE1-CE1 4.15Å; Y1357-F1398 HydrophobicContact CE1-CZ 4.21Å; Y1357-F1404 HydrophobicContact CD1-CE1 4.24Å; Y1357-F1404 HydrophobicContact CD2-CD1 4.02Å; Y1357-F1404 AromaticContact CD2-CE1 3.5Å; Y1357-F1404 HydrophobicContact CD2-CE1 3.5Å; Y1357-F1404 HydrophobicContact CE2-CE1 4.08Å; Y1357-F1404 HydrophobicContact CG-CD1 4.48Å; Y1357-F1404 AromaticContact CG-CE1 3.57Å; Y1357-F1404 HydrophobicContact CG-CE1 3.57Å; Y1357-F1404 HydrophobicContact CG-CZ 4.32Å
1358A91.1Very high91.3Very high0 Ų047.5 Ų47.50%027%0.268CS..EExtended strand (participates in β ladder)trans-146.8151.2177.900000113.5L1331 T1362 V1373 E1374 S1375 V1376L1331-A1358 HydrophobicContact CB-CB 4.06Å; L1331-A1358 CarbonylContact O-C 3.57Å; L1331-A1358 WeakPolarHBondContact O-CA 3.27Å; L1331-A1358 WeakPolarHBondContact O-CB 3.4Å; A1358-T1362 HydrophobicContact CB-CG2 4.09Å; A1358-V1373 HydrophobicContact CB-CG2 3.42Å; A1358-V1373 VanDerWaalsContact CB-CG2 3.42Å; A1358-E1374 PolarHBondContact N-O 3.32Å; A1358-S1375 CarbonylContact O-C 3.45Å; A1358-S1375 VanDerWaalsContact O-CA 3.29Å; A1358-S1375 WeakPolarHBondContact O-CA 3.44Å; A1358-V1376 VanDerWaalsContact O-CG2 3.3Å; A1358-V1376 WeakPolarHBondContact O-CG2 3.41Å; A1358-V1376 PolarHBondContact O-N 3.35Å
1359S87.9Confident91.3Very high10 Ų1048.6 Ų48.67%0.0727%0.272CS..EExtended strand (participates in β ladder)trans-59.7146166.359.20000109.9L1331 S1332 G1361 T1362 G1363L1331-S1359 PolarHBondContact O-N 3.02Å; S1332-S1359 PolarHBondContact OG-OG 3.42Å; S1359-G1361 PolarHBondContact O-N 3.08Å; S1359-G1361 VanDerWaalsContact O-N 3.13Å; S1359-T1362 CarbonylContact O-C 3.43Å; S1359-T1362 WeakPolarHBondContact O-CA 3.5Å; S1359-T1362 WeakPolarHBondContact O-CB 3.46Å; S1359-T1362 PolarHBondContact O-N 3.22Å; S1359-T1362 PolarHBondContact OG-OG1 2.94Å; S1359-G1363 PolarHBondContact O-N 3.46Å
1360M83.5Confident91.2Very high90 Ų9052 Ų5244%0.44331%0.306SS..Hα-helixtrans-40.8-58.5-170.5-59.3-168.8-43.200114T1362 G1363 D1364M1360-T1362 VanDerWaalsContact C-N 3.26Å; M1360-T1362 PolarHBondContact O-N 3.23Å; M1360-G1363 PolarHBondContact O-N 3.29Å; M1360-G1363 VanDerWaalsContact O-N 3.09Å; M1360-D1364 PolarHBondContact O-N 2.77Å
1361G85Confident91.2Very high41 Ų4150.5 Ų50.542%0.42329%0.294SS..Hα-helixtrans-69-16.2-178.900000115.7K1339 S1359K1339-G1361 PolarHBondContact NZ-O 3.21Å; S1359-G1361 PolarHBondContact O-N 3.08Å; S1359-G1361 VanDerWaalsContact O-N 3.13Å
1362T90.8Very high91.1Very high3 Ų349.7 Ų49.72%0.01830%0.297CS..Hα-helixtrans-84.2-39.9170.3-53.90000110.4L1331 I1333 A1358 S1359 M1360 Y1366L1331-T1362 HydrophobicContact CB-CG2 4.03Å; I1333-T1362 HydrophobicContact CB-CG2 4.08Å; I1333-T1362 HydrophobicContact CD1-CG2 4.27Å; I1333-T1362 HydrophobicContact CG1-CG2 4.19Å; I1333-T1362 PolarHBondContact N-OG1 3.21Å; I1333-T1362 PolarHBondContact O-OG1 3.11Å; A1358-T1362 HydrophobicContact CB-CG2 4.09Å; S1359-T1362 CarbonylContact O-C 3.43Å; S1359-T1362 WeakPolarHBondContact O-CA 3.5Å; S1359-T1362 WeakPolarHBondContact O-CB 3.46Å; S1359-T1362 PolarHBondContact O-N 3.22Å; S1359-T1362 PolarHBondContact OG-OG1 2.94Å; M1360-T1362 VanDerWaalsContact C-N 3.26Å; M1360-T1362 PolarHBondContact O-N 3.23Å; T1362-Y1366 HydrophobicContact CG2-CD2 3.78Å; T1362-Y1366 HydrophobicContact CG2-CE2 3.61Å; T1362-Y1366 VanDerWaalsContact O-CD2 3.27Å; T1362-Y1366 WeakPolarHBondContact O-CD2 3.22Å; T1362-Y1366 PolarHBondContact O-N 3.29Å
1363G90.1Very high91.1Very high1 Ų147.3 Ų47.31%0.0129%0.286CS..Hα-helixtrans-61.7-51176.300000111.7S1359 M1360 F1365 Y1366 A1367 V1373S1359-G1363 PolarHBondContact O-N 3.46Å; M1360-G1363 PolarHBondContact O-N 3.29Å; M1360-G1363 VanDerWaalsContact O-N 3.09Å; G1363-F1365 VanDerWaalsContact C-N 3.33Å; G1363-F1365 PolarHBondContact O-N 2.71Å; G1363-Y1366 PolarHBondContact O-N 3.13Å; G1363-A1367 VanDerWaalsContact O-CB 3.3Å; G1363-A1367 WeakPolarHBondContact O-CB 3.43Å; G1363-A1367 PolarHBondContact O-N 3.44Å; G1363-V1373 WeakPolarHBondContact O-CG1 3.16Å
1364D90Very high91.1Very high89 Ų8947.6 Ų47.648%0.47627%0.27SS..Hα-helixtrans-54.6-48.9179.2-61.2-20.5000111.4M1360 Y1366 A1367 E1368M1360-D1364 PolarHBondContact O-N 2.77Å; D1364-Y1366 PolarHBondContact O-N 3.28Å; D1364-A1367 PolarHBondContact O-N 2.92Å; D1364-E1368 WeakPolarHBondContact O-CB 3.44Å; D1364-E1368 WeakPolarHBondContact O-CG 3.28Å; D1364-E1368 PolarHBondContact O-N 2.92Å
1365F94Very high90.8Very high14 Ų1447.7 Ų47.76%0.06128%0.276CS..Hα-helixtrans-59.2-47.5179172.8-87.6000112.4F1336 K1339 M1340 G1363 E1368 H1369F1336-F1365 HydrophobicContact CD2-CD2 4.21Å; F1336-F1365 AromaticContact CD2-CE2 3.95Å; F1336-F1365 HydrophobicContact CD2-CE2 3.95Å; F1336-F1365 HydrophobicContact CE2-CD2 4.05Å; F1336-F1365 AromaticContact CE2-CE2 3.55Å; F1336-F1365 HydrophobicContact CE2-CE2 3.55Å; F1336-F1365 HydrophobicContact CZ-CE2 4.25Å; K1339-F1365 HydrophobicContact CB-CD1 3.59Å; K1339-F1365 HydrophobicContact CB-CD2 4.37Å; K1339-F1365 HydrophobicContact CB-CE1 3.44Å; K1339-F1365 VanDerWaalsContact CB-CE1 3.44Å; K1339-F1365 HydrophobicContact CB-CE2 4.22Å; K1339-F1365 HydrophobicContact CB-CG 4.08Å; K1339-F1365 HydrophobicContact CB-CZ 3.76Å; K1339-F1365 HydrophobicContact CD-CB 3.9Å; K1339-F1365 HydrophobicContact CD-CD1 3.95Å; K1339-F1365 HydrophobicContact CD-CD2 4.16Å; K1339-F1365 HydrophobicContact CD-CG 3.71Å; K1339-F1365 HydrophobicContact CG-CD1 4.22Å; K1339-F1365 HydrophobicContact CG-CG 4.46Å; M1340-F1365 HydrophobicContact CG-CE2 4.34Å; M1340-F1365 HydrophobicContact CG-CZ 3.99Å; M1340-F1365 HydrophobicContact SD-CE2 4Å; M1340-F1365 HydrophobicContact SD-CZ 3.58Å; M1340-F1365 VanDerWaalsContact SD-CZ 3.58Å; G1363-F1365 VanDerWaalsContact C-N 3.33Å; G1363-F1365 PolarHBondContact O-N 2.71Å; F1365-E1368 PolarHBondContact O-N 2.89Å; F1365-H1369 AromaticContact CD2-CE1 3.77Å; F1365-H1369 AromaticContact CD2-ND1 3.98Å; F1365-H1369 AromaticContact CE2-CE1 3.35Å; F1365-H1369 WeakPolarHBondContact CE2-CE1 3.49Å; F1365-H1369 AromaticContact CE2-ND1 3.8Å; F1365-H1369 AromaticContact CE2-NE2 4Å; F1365-H1369 AromaticContact CZ-CE1 3.65Å; F1365-H1369 AromaticContact CZ-ND1 3.83Å; F1365-H1369 PolarHBondContact O-N 3.44Å; F1365-H1369 PolarHBondContact O-ND1 3.5Å
1366Y94.6Very high90.2Very high0 Ų043 Ų430%026%0.256CS..Hα-helixtrans-74.5-34.5-176.9-78.1-51.5000112.6L1331 I1333 K1339 L1343 I1346 T1362 G1363 D1364 H1369 G1370 V1371L1331-Y1366 HydrophobicContact CD1-CD2 4.28Å; L1331-Y1366 HydrophobicContact CD1-CE2 4.22Å; I1333-Y1366 HydrophobicContact CD1-CE2 3.71Å; I1333-Y1366 WeakPolarHBondContact CD1-OH 3.5Å; K1339-Y1366 PolarHBondContact O-OH 3.46Å; L1343-Y1366 HydrophobicContact CB-CE1 4.38Å; L1343-Y1366 HydrophobicContact CD1-CD1 3.77Å; L1343-Y1366 HydrophobicContact CD1-CE1 3.94Å; I1346-Y1366 HydrophobicContact CB-CE1 4.15Å; I1346-Y1366 HydrophobicContact CG1-CE1 3.95Å; I1346-Y1366 HydrophobicContact CG1-CE2 4.04Å; I1346-Y1366 WeakPolarHBondContact CG1-OH 3.36Å; I1346-Y1366 HydrophobicContact CG2-CD1 4.34Å; I1346-Y1366 HydrophobicContact CG2-CD2 4.48Å; I1346-Y1366 HydrophobicContact CG2-CE1 4.36Å; I1346-Y1366 HydrophobicContact CG2-CE2 4.46Å; I1346-Y1366 HydrophobicContact CG2-CG 4.43Å; T1362-Y1366 HydrophobicContact CG2-CD2 3.78Å; T1362-Y1366 HydrophobicContact CG2-CE2 3.61Å; T1362-Y1366 VanDerWaalsContact O-CD2 3.27Å; T1362-Y1366 WeakPolarHBondContact O-CD2 3.22Å; T1362-Y1366 PolarHBondContact O-N 3.29Å; G1363-Y1366 PolarHBondContact O-N 3.13Å; D1364-Y1366 PolarHBondContact O-N 3.28Å; Y1366-H1369 CarbonylContact O-C 3.45Å; Y1366-H1369 PolarHBondContact O-N 3.29Å; Y1366-H1369 VanDerWaalsContact O-N 3.1Å; Y1366-G1370 PolarHBondContact O-N 3.17Å; Y1366-V1371 WeakPolarHBondContact O-CB 3.32Å; Y1366-V1371 PolarHBondContact O-N 3.07Å
1367A91.1Very high89.3Confident56 Ų5645.8 Ų45.846%0.46327%0.269SS..Hα-helixtrans-59.7-45.7171.600000111.1G1363 D1364 H1369 G1370 V1371 V1373G1363-A1367 VanDerWaalsContact O-CB 3.3Å; G1363-A1367 WeakPolarHBondContact O-CB 3.43Å; G1363-A1367 PolarHBondContact O-N 3.44Å; D1364-A1367 PolarHBondContact O-N 2.92Å; A1367-H1369 PolarHBondContact O-N 2.86Å; A1367-G1370 PolarHBondContact O-N 2.92Å; A1367-G1370 VanDerWaalsContact O-N 3.1Å; A1367-V1371 WeakPolarHBondContact CA-O 3.46Å; A1367-V1373 HydrophobicContact CB-CG1 4.37Å
1368E91.6Very high88Confident158 Ų15847.5 Ų47.574%0.73828%0.275SS*.Hα-helixtrans-58.7-30.5173.1-76.2177177.600113.1D1364 F1365 G1370D1364-E1368 WeakPolarHBondContact O-CB 3.44Å; D1364-E1368 WeakPolarHBondContact O-CG 3.28Å; D1364-E1368 PolarHBondContact O-N 2.92Å; F1365-E1368 PolarHBondContact O-N 2.89Å; E1368-G1370 VanDerWaalsContact C-N 3.35Å
1369H93Very high86.4Confident62 Ų6249.5 Ų49.529%0.28729%0.287SS..THydrogen-bonded Turntrans-94.516179.2-68.276.7000114L1343 R1347 F1365 Y1366 A1367L1343-H1369 HydrophobicContact CD1-CB 3.76Å; L1343-H1369 HydrophobicContact CD2-CB 4.2Å; R1347-H1369 PolarHBondContact NH2-O 3.46Å; F1365-H1369 AromaticContact CD2-CE1 3.77Å; F1365-H1369 AromaticContact CD2-ND1 3.98Å; F1365-H1369 AromaticContact CE2-CE1 3.35Å; F1365-H1369 WeakPolarHBondContact CE2-CE1 3.49Å; F1365-H1369 AromaticContact CE2-ND1 3.8Å; F1365-H1369 AromaticContact CE2-NE2 4Å; F1365-H1369 AromaticContact CZ-CE1 3.65Å; F1365-H1369 AromaticContact CZ-ND1 3.83Å; F1365-H1369 PolarHBondContact O-N 3.44Å; F1365-H1369 PolarHBondContact O-ND1 3.5Å; Y1366-H1369 CarbonylContact O-C 3.45Å; Y1366-H1369 PolarHBondContact O-N 3.29Å; Y1366-H1369 VanDerWaalsContact O-N 3.1Å; A1367-H1369 PolarHBondContact O-N 2.86Å
1370G90.4Very high84.8Confident70 Ų7050.9 Ų50.972%0.72229%0.292SS*.THydrogen-bonded Turntrans79.421.3171.600000115.1Y1366 A1367 E1368Y1366-G1370 PolarHBondContact O-N 3.17Å; A1367-G1370 PolarHBondContact O-N 2.92Å; A1367-G1370 VanDerWaalsContact O-N 3.1Å; E1368-G1370 VanDerWaalsContact C-N 3.35Å
1371V91.8Very high83.2Confident7 Ų751.4 Ų51.44%0.04230%0.297CS..  trans-100.4124.8173.9174.40000108.7L1343 I1346 R1347 L1356 Y1366 A1367 V1373L1343-V1371 HydrophobicContact CD1-CG2 4.16Å; I1346-V1371 HydrophobicContact CG2-CG1 3.77Å; R1347-V1371 HydrophobicContact CG-CG2 3.75Å; L1356-V1371 HydrophobicContact CD1-CG1 3.81Å; Y1366-V1371 WeakPolarHBondContact O-CB 3.32Å; Y1366-V1371 PolarHBondContact O-N 3.07Å; A1367-V1371 WeakPolarHBondContact CA-O 3.46Å; V1371-V1373 PolarHBondContact O-N 2.83Å
1372N89.6Confident81.1Confident148 Ų14859.5 Ų59.579%0.79132%0.32SS*.  trans-71.3111.3175.3-17319.1000110.2
1373V91.9Very high78.6Confident18 Ų1865.2 Ų65.211%0.10936%0.355CS..  trans-143.4138.5-177.565.70000110.3L1356 A1358 G1363 A1367 V1371L1356-V1373 HydrophobicContact CB-CB 4.25Å; L1356-V1373 HydrophobicContact CB-CG2 3.92Å; L1356-V1373 WeakPolarHBondContact O-CA 3.43Å; A1358-V1373 HydrophobicContact CB-CG2 3.42Å; A1358-V1373 VanDerWaalsContact CB-CG2 3.42Å; G1363-V1373 WeakPolarHBondContact O-CG1 3.16Å; A1367-V1373 HydrophobicContact CB-CG1 4.37Å; V1371-V1373 PolarHBondContact O-N 2.83Å
1374E90.7Very high76.1Confident71 Ų7170.1 Ų70.133%0.33239%0.385SS..EExtended strand (participates in β ladder)trans-97.8120.9-179.4-169.4177.4149.100110.5K1355 L1356 Y1357 A1358K1355-E1374 WeakPolarHBondContact CE-OE2 3.43Å; K1355-E1374 IonicContact NZ-OE2 3.2Å; K1355-E1374 PolarHBondContact NZ-OE2 2.76Å; L1356-E1374 PolarHBondContact O-N 2.9Å; Y1357-E1374 CarbonylContact C-O 3.5Å; Y1357-E1374 VanDerWaalsContact CA-O 3.23Å; Y1357-E1374 WeakPolarHBondContact CA-O 3.34Å; Y1357-E1374 HydrophobicContact CD1-CB 3.86Å; Y1357-E1374 HydrophobicContact CD1-CG 4.16Å; Y1357-E1374 HydrophobicContact CE1-CB 4.15Å; Y1357-E1374 HydrophobicContact CE1-CG 4.17Å; Y1357-E1374 WeakPolarHBondContact CE1-OE2 3.5Å; A1358-E1374 PolarHBondContact N-O 3.32Å
1375S86Confident73.7Confident36 Ų3670.5 Ų70.525%0.25239%0.392SS..EExtended strand (participates in β ladder)trans-74.9134.9-179.9-70.20000112.1A1358A1358-S1375 CarbonylContact O-C 3.45Å; A1358-S1375 VanDerWaalsContact O-CA 3.29Å; A1358-S1375 WeakPolarHBondContact O-CA 3.44Å
1376V82.8Confident71.2Confident4 Ų477 Ų772%0.02443%0.428CS..EExtended strand (participates in β ladder)trans-120.2143.4176.6-70.60000111.5L1330 Y1357 A1358 L1395 F1398L1330-V1376 HydrophobicContact CD1-CG2 3.75Å; Y1357-V1376 HydrophobicContact CD1-CG1 3.91Å; A1358-V1376 VanDerWaalsContact O-CG2 3.3Å; A1358-V1376 WeakPolarHBondContact O-CG2 3.41Å; A1358-V1376 PolarHBondContact O-N 3.35Å; V1376-L1395 HydrophobicContact CB-CD1 4.31Å; V1376-L1395 HydrophobicContact CG2-CD1 3.64Å; V1376-F1398 HydrophobicContact CG1-CE2 3.93Å; V1376-F1398 HydrophobicContact CG1-CZ 4.35Å
1377Q76.2Confident68.6Low63 Ų6383 Ų8329%0.29446%0.46SS..BIsolated β-bridgetrans-92.8144-175.4-167.1173.2-4.800112.5T1379 L1392 L1395Q1377-T1379 HydrophobicContact CG-CG2 4.4Å; Q1377-T1379 PolarHBondContact O-N 2.88Å; Q1377-L1392 HydrophobicContact CB-CB 4.25Å; Q1377-L1395 WeakPolarHBondContact O-CB 3.5Å; Q1377-L1395 PolarHBondContact O-N 3.5Å
1378W65.8Low66.2Low57 Ų5786.9 Ų86.922%0.21647%0.471CS..  trans-82104.8174.5-59.6104.1000110.5S1332 F1380 L1395 H1426 T1430S1332-W1378 WeakPolarHBondContact OG-CZ2 3.26Å; W1378-F1380 HydrophobicContact CD2-CE2 4.42Å; W1378-F1380 AromaticContact CE3-CE2 3.41Å; W1378-F1380 HydrophobicContact CE3-CE2 3.41Å; W1378-F1380 VanDerWaalsContact CE3-CE2 3.41Å; W1378-F1380 AromaticContact CE3-CZ 3.67Å; W1378-F1380 HydrophobicContact CE3-CZ 3.67Å; W1378-F1380 AromaticContact CZ3-CE2 3.91Å; W1378-F1380 HydrophobicContact CZ3-CE2 3.91Å; W1378-F1380 AromaticContact CZ3-CZ 3.81Å; W1378-F1380 HydrophobicContact CZ3-CZ 3.81Å; W1378-L1395 HydrophobicContact CD2-CD2 4.14Å; W1378-L1395 HydrophobicContact CE3-CD2 3.31Å; W1378-L1395 HydrophobicContact CH2-CD2 4.17Å; W1378-L1395 HydrophobicContact CZ3-CD2 3.41Å; W1378-L1395 VanDerWaalsContact CZ3-CD2 3.41Å; W1378-H1426 HydrophobicContact CB-CB 4.47Å; W1378-H1426 HydrophobicContact CD2-CB 3.64Å; W1378-H1426 HydrophobicContact CE3-CB 3.49Å; W1378-H1426 VanDerWaalsContact CE3-CB 3.49Å; W1378-H1426 HydrophobicContact CG-CB 4.12Å; W1378-H1426 HydrophobicContact CH2-CB 4.11Å; W1378-H1426 HydrophobicContact CZ2-CB 4.34Å; W1378-H1426 HydrophobicContact CZ3-CB 3.65Å; W1378-H1426 WeakPolarHBondContact CZ3-O 3.49Å; W1378-T1430 WeakPolarHBondContact CZ3-OG1 3.23Å
1379T58.5Low63.7Low42 Ų4287 Ų8726%0.25848%0.477SS..  trans-134103.2171.451.30000108.2Q1377 H1394Q1377-T1379 HydrophobicContact CG-CG2 4.4Å; Q1377-T1379 PolarHBondContact O-N 2.88Å; T1379-H1394 WeakPolarHBondContact OG1-CB 3.35Å; T1379-H1394 PolarHBondContact OG1-ND1 3.25Å
1380F53.6Low61.2Low39 Ų3986.3 Ų86.317%0.17149%0.487CS..  trans-107.7-19.3176.2-65.5-82.7000112.7W1378 L1395 A1396 H1426 R1429 L1433W1378-F1380 HydrophobicContact CD2-CE2 4.42Å; W1378-F1380 AromaticContact CE3-CE2 3.41Å; W1378-F1380 HydrophobicContact CE3-CE2 3.41Å; W1378-F1380 VanDerWaalsContact CE3-CE2 3.41Å; W1378-F1380 AromaticContact CE3-CZ 3.67Å; W1378-F1380 HydrophobicContact CE3-CZ 3.67Å; W1378-F1380 AromaticContact CZ3-CE2 3.91Å; W1378-F1380 HydrophobicContact CZ3-CE2 3.91Å; W1378-F1380 AromaticContact CZ3-CZ 3.81Å; W1378-F1380 HydrophobicContact CZ3-CZ 3.81Å; F1380-L1395 HydrophobicContact CZ-CD2 4.49Å; F1380-A1396 HydrophobicContact CD1-CB 4.3Å; F1380-H1426 AromaticContact CD2-CE1 3.96Å; F1380-H1426 AromaticContact CD2-ND1 3.24Å; F1380-H1426 WeakPolarHBondContact CD2-ND1 3.02Å; F1380-H1426 HydrophobicContact CE2-CB 3.77Å; F1380-H1426 AromaticContact CE2-CG 3.86Å; F1380-H1426 AromaticContact CE2-ND1 3.37Å; F1380-H1426 WeakPolarHBondContact CE2-ND1 3.43Å; F1380-H1426 WeakPolarHBondContact CZ-O 3.48Å; F1380-R1429 HydrophobicContact CD1-CB 3.8Å; F1380-R1429 HydrophobicContact CD1-CG 4.41Å; F1380-R1429 HydrophobicContact CD2-CB 4.4Å; F1380-R1429 HydrophobicContact CE1-CB 3.39Å; F1380-R1429 HydrophobicContact CE1-CG 4.44Å; F1380-R1429 HydrophobicContact CE2-CB 4.01Å; F1380-R1429 HydrophobicContact CG-CB 4.29Å; F1380-R1429 HydrophobicContact CZ-CB 3.5Å; F1380-R1429 VanDerWaalsContact CZ-CB 3.5Å; F1380-L1433 HydrophobicContact CD1-CD1 4.28Å; F1380-L1433 HydrophobicContact CE1-CD1 3.84Å
1381D49.2Very low59.1Low101 Ų10192.5 Ų92.554%0.5450%0.497SS..  trans-101.5116.6-177.1-62.7-15.6000109T1383 R1429D1381-T1383 PolarHBondContact O-N 3Å; D1381-R1429 IonicContact OD1-CZ 3.6Å; D1381-R1429 IonicContact OD1-NH1 3.78Å; D1381-R1429 PolarHBondContact OD1-NH1 3.23Å; D1381-R1429 IonicContact OD1-NH2 2.74Å
1382K41.7Very low56.9Low211 Ų21195.8 Ų95.892%0.91751%0.514SS*.  trans-78.411.8174.3-75.9-171.3175.6-177.90113.4T1384K1382-T1384 PolarHBondContact O-N 3.47Å
1383T38.7Very low55.2Low122 Ų12296 Ų9675%0.74850%0.504SS*.  trans-85.92.4-167.832.30000115.8D1381D1381-T1383 PolarHBondContact O-N 3Å
1384T36.4Very low54.1Low105 Ų10598.6 Ų98.664%0.64451%0.514SS*.  trans-119.6109.8167.322.30000110.2K1382 D1386K1382-T1384 PolarHBondContact O-N 3.47Å; T1384-D1386 PolarHBondContact O-N 3.47Å
1385P41.1Very low53.4Low97 Ų9795.4 Ų95.463%0.6350%0.499SS*.G310 helixtrans-67.1-11.2178.5-20.432.3000115.1
1386D40.9Very low52.7Low150 Ų15095 Ų9580%0.80250%0.499SS*.G310 helixtrans-94.60.8-165.8-72.4-24.9000116T1384T1384-D1386 PolarHBondContact O-N 3.47Å
1387D40.6Very low52.3Low125 Ų125100 Ų10067%0.66852%0.521SS*.G310 helixtrans-102.826178.6-101.5-6000114.2N1389D1387-N1389 PolarHBondContact O-N 2.96Å
1388I39Very low52.5Low138 Ų13897.2 Ų97.271%0.70851%0.509SS*.THydrogen-bonded Turntrans-72.7-8.9176.9-61.3173.8000112.5
1389N39.4Very low53.2Low160 Ų16094.5 Ų94.586%0.85650%0.498SS*.THydrogen-bonded Turntrans-101.710.5-176-74.8-19.7000115.6D1387D1387-N1389 PolarHBondContact O-N 2.96Å
1390G41.9Very low53.8Low48 Ų4894.4 Ų94.450%0.49550%0.502SS..  trans-80.8126.7171.200000111.8L1392G1390-L1392 PolarHBondContact O-N 3.02Å
1391E44.9Very low54.9Low201 Ų20197 Ų9794%0.93952%0.517SS*.SBendtrans-59-1177.7-73.8-176.114900115.3
1392L45.6Very low56.3Low75 Ų7597.1 Ų97.139%0.39351%0.513SS..SBendtrans-99.7127.1-175-66.8169.2000111.7Q1377 G1390Q1377-L1392 HydrophobicContact CB-CB 4.25Å; G1390-L1392 PolarHBondContact O-N 3.02Å
1393R55.1Low58.4Low154 Ų15491.3 Ų91.358%0.58149%0.489SS*.PPolyproline II helixtrans-74.3145.2-178.2-66.6176.4-172.9-173.34112.7F1398R1393-F1398 HydrophobicContact CB-CD2 4.33Å; R1393-F1398 HydrophobicContact CB-CE2 3.31Å; R1393-F1398 HydrophobicContact CB-CZ 3.74Å; R1393-F1398 HydrophobicContact CG-CE2 4.36Å; R1393-F1398 HydrophobicContact CG-CZ 4.35Å
1394H69Low60.8Low71 Ų7185.7 Ų85.733%0.32945%0.454SS..BIsolated β-bridgetrans-80.7124.2-171.5-60.6-64.7000114T1379 A1396 E1397 F1398T1379-H1394 WeakPolarHBondContact OG1-CB 3.35Å; T1379-H1394 PolarHBondContact OG1-ND1 3.25Å; H1394-A1396 PolarHBondContact O-N 2.98Å; H1394-E1397 HydrophobicContact CB-CB 4.24Å; H1394-E1397 WeakPolarHBondContact O-CB 3.26Å; H1394-E1397 PolarHBondContact O-N 3.43Å; H1394-E1397 VanDerWaalsContact O-N 3.1Å; H1394-F1398 WeakPolarHBondContact O-CD2 3.47Å; H1394-F1398 PolarHBondContact O-N 2.87Å
1395L75.5Confident63.5Low4 Ų482.8 Ų82.82%0.02144%0.435CS..Hα-helixtrans-58.7-39.7-175.8-17173000114.8L1330 V1376 Q1377 W1378 F1380 E1397 F1398 L1399 F1404 T1430L1330-L1395 HydrophobicContact CD1-CD1 3.78Å; L1330-L1395 HydrophobicContact CD2-CD1 3.7Å; L1330-L1395 HydrophobicContact CG-CD1 4.4Å; V1376-L1395 HydrophobicContact CB-CD1 4.31Å; V1376-L1395 HydrophobicContact CG2-CD1 3.64Å; Q1377-L1395 WeakPolarHBondContact O-CB 3.5Å; Q1377-L1395 PolarHBondContact O-N 3.5Å; W1378-L1395 HydrophobicContact CD2-CD2 4.14Å; W1378-L1395 HydrophobicContact CE3-CD2 3.31Å; W1378-L1395 HydrophobicContact CH2-CD2 4.17Å; W1378-L1395 HydrophobicContact CZ3-CD2 3.41Å; W1378-L1395 VanDerWaalsContact CZ3-CD2 3.41Å; F1380-L1395 HydrophobicContact CZ-CD2 4.49Å; L1395-E1397 PolarHBondContact O-N 3.15Å; L1395-F1398 PolarHBondContact O-N 3.07Å; L1395-L1399 HydrophobicContact CG-CD1 4.37Å; L1395-L1399 PolarHBondContact O-N 3.22Å; L1395-F1404 HydrophobicContact CD1-CE2 3.84Å; L1395-F1404 HydrophobicContact CD1-CZ 4.21Å; L1395-T1430 HydrophobicContact CD2-CG2 4.5Å; L1395-T1430 WeakPolarHBondContact CD2-OG1 3.39Å
1396A71.1Confident66Low29 Ų2978.2 Ų78.224%0.2441%0.405CS..Hα-helixtrans-63.3-33.9179.200000111.7F1380 H1394 A1400 L1433F1380-A1396 HydrophobicContact CD1-CB 4.3Å; H1394-A1396 PolarHBondContact O-N 2.98Å; A1396-A1400 WeakPolarHBondContact O-CB 3.25Å; A1396-A1400 PolarHBondContact O-N 3.48Å; A1396-L1433 HydrophobicContact CB-CD1 4.29Å
1397E74.6Confident68.5Low107 Ų10771.1 Ų71.150%0.537%0.367SS..Hα-helixtrans-72.1-40.7177.9-172177.9-177.800111.8H1394 L1395 L1399 A1400 N1401H1394-E1397 HydrophobicContact CB-CB 4.24Å; H1394-E1397 WeakPolarHBondContact O-CB 3.26Å; H1394-E1397 PolarHBondContact O-N 3.43Å; H1394-E1397 VanDerWaalsContact O-N 3.1Å; L1395-E1397 PolarHBondContact O-N 3.15Å; E1397-L1399 VanDerWaalsContact C-N 3.31Å; E1397-L1399 PolarHBondContact O-N 3.27Å; E1397-A1400 PolarHBondContact O-N 2.81Å; E1397-N1401 WeakPolarHBondContact CG-ND2 3.42Å; E1397-N1401 VanDerWaalsContact O-CB 3.27Å; E1397-N1401 WeakPolarHBondContact O-CB 3.44Å; E1397-N1401 PolarHBondContact O-N 3.48Å; E1397-N1401 PolarHBondContact O-ND2 3.09Å
1398F79.7Confident71.1Confident6 Ų665.2 Ų65.23%0.02634%0.335CS..Hα-helixtrans-58-43.9173-82-86.7000112.4Y1357 V1376 R1393 H1394 L1395 K1402 Q1403 F1404Y1357-F1398 HydrophobicContact CE1-CE1 4.15Å; Y1357-F1398 HydrophobicContact CE1-CZ 4.21Å; V1376-F1398 HydrophobicContact CG1-CE2 3.93Å; V1376-F1398 HydrophobicContact CG1-CZ 4.35Å; R1393-F1398 HydrophobicContact CB-CD2 4.33Å; R1393-F1398 HydrophobicContact CB-CE2 3.31Å; R1393-F1398 HydrophobicContact CB-CZ 3.74Å; R1393-F1398 HydrophobicContact CG-CE2 4.36Å; R1393-F1398 HydrophobicContact CG-CZ 4.35Å; H1394-F1398 WeakPolarHBondContact O-CD2 3.47Å; H1394-F1398 PolarHBondContact O-N 2.87Å; L1395-F1398 PolarHBondContact O-N 3.07Å; F1398-K1402 PolarHBondContact O-N 3Å; F1398-Q1403 HydrophobicContact CB-CB 4.49Å; F1398-Q1403 HydrophobicContact CD1-CB 3.77Å; F1398-Q1403 HydrophobicContact CD1-CG 4.43Å; F1398-Q1403 PolarHBondContact O-N 2.94Å; F1398-F1404 HydrophobicContact CB-CD2 3.98Å; F1398-F1404 HydrophobicContact CB-CE1 4.4Å; F1398-F1404 HydrophobicContact CB-CE2 3.29Å; F1398-F1404 HydrophobicContact CB-CZ 3.54Å; F1398-F1404 AromaticContact CD1-CE1 3.95Å; F1398-F1404 HydrophobicContact CD1-CE1 3.95Å; F1398-F1404 HydrophobicContact CD1-CE2 4.33Å; F1398-F1404 AromaticContact CD1-CZ 3.72Å; F1398-F1404 HydrophobicContact CD1-CZ 3.72Å; F1398-F1404 HydrophobicContact CD2-CZ 4.16Å; F1398-F1404 HydrophobicContact CE1-CE1 4.48Å; F1398-F1404 HydrophobicContact CE1-CZ 4.43Å; F1398-F1404 HydrophobicContact CG-CE1 4.29Å; F1398-F1404 AromaticContact CG-CE2 3.91Å; F1398-F1404 HydrophobicContact CG-CE2 3.91Å; F1398-F1404 AromaticContact CG-CZ 3.59Å; F1398-F1404 HydrophobicContact CG-CZ 3.59Å
1399L80.7Confident73.7Confident0 Ų058.8 Ų58.80%030%0.303CS..Hα-helixtrans-66.8-46.9178.5-71.1166.1000110.9L1395 E1397 N1401 K1402 F1404 V1407 T1430 L1433 Y1437 I1439L1395-L1399 HydrophobicContact CG-CD1 4.37Å; L1395-L1399 PolarHBondContact O-N 3.22Å; E1397-L1399 VanDerWaalsContact C-N 3.31Å; E1397-L1399 PolarHBondContact O-N 3.27Å; L1399-N1401 VanDerWaalsContact C-N 3.3Å; L1399-N1401 PolarHBondContact O-N 2.85Å; L1399-K1402 PolarHBondContact O-N 3.04Å; L1399-F1404 HydrophobicContact CD2-CD2 3.89Å; L1399-F1404 HydrophobicContact CG-CD2 4.24Å; L1399-F1404 HydrophobicContact CG-CE2 4.46Å; L1399-V1407 HydrophobicContact CD2-CG2 4.03Å; L1399-T1430 HydrophobicContact CD1-CG2 4.14Å; L1399-L1433 HydrophobicContact CB-CB 4.42Å; L1399-L1433 HydrophobicContact CD1-CB 3.89Å; L1399-L1433 HydrophobicContact CD1-CD1 4.07Å; L1399-Y1437 HydrophobicContact CB-CD2 3.99Å; L1399-Y1437 HydrophobicContact CB-CE2 4.23Å; L1399-Y1437 WeakPolarHBondContact O-CD2 3.42Å; L1399-I1439 HydrophobicContact CB-CD1 4.44Å; L1399-I1439 HydrophobicContact CD2-CD1 3.68Å
1400A72.1Confident76Confident40 Ų4051.3 Ų51.333%0.33126%0.263SS..Hα-helixtrans-61.1-38.1177.800000112.8A1396 E1397 K1402 Y1437A1396-A1400 WeakPolarHBondContact O-CB 3.25Å; A1396-A1400 PolarHBondContact O-N 3.48Å; E1397-A1400 PolarHBondContact O-N 2.81Å; A1400-K1402 VanDerWaalsContact C-N 3.25Å; A1400-K1402 PolarHBondContact O-N 3.23Å; A1400-Y1437 VanDerWaalsContact CA-CE2 3.49Å; A1400-Y1437 HydrophobicContact CB-CE1 4.31Å; A1400-Y1437 HydrophobicContact CB-CE2 3.96Å; A1400-Y1437 WeakPolarHBondContact CB-OH 3.47Å
1401N77Confident77.6Confident92 Ų9250.4 Ų50.449%0.49225%0.248SC..THydrogen-bonded Turntrans-81.85.1176.4-68.7-24.7000113.7E1397 L1399 Q1403E1397-N1401 WeakPolarHBondContact CG-ND2 3.42Å; E1397-N1401 VanDerWaalsContact O-CB 3.27Å; E1397-N1401 WeakPolarHBondContact O-CB 3.44Å; E1397-N1401 PolarHBondContact O-N 3.48Å; E1397-N1401 PolarHBondContact O-ND2 3.09Å; L1399-N1401 VanDerWaalsContact C-N 3.3Å; L1399-N1401 PolarHBondContact O-N 2.85Å; N1401-Q1403 HydrophobicContact CB-CG 3.91Å; N1401-Q1403 PolarHBondContact O-N 3.17Å
1402K77.8Confident78.6Confident104 Ų10446.9 Ų46.945%0.45223%0.233SC..THydrogen-bonded Turntrans5140-178.1-59.7-177.3-178176.50113.5A593 F1398 L1399 A1400 F1404 Y1437A593-K1402 PolarHBondContact O-NZ 3.02Å; F1398-K1402 PolarHBondContact O-N 3Å; L1399-K1402 PolarHBondContact O-N 3.04Å; A1400-K1402 VanDerWaalsContact C-N 3.25Å; A1400-K1402 PolarHBondContact O-N 3.23Å; K1402-F1404 VanDerWaalsContact C-N 3.35Å; K1402-Y1437 WeakPolarHBondContact CE-O 3.41Å
1403Q85.2Confident79Confident90 Ų9046.8 Ų46.842%0.42124%0.239SC..  trans-83.3-10.3-179.4-69.6-174.50.200113.7A1328 F1398 N1401A1328-Q1403 WeakPolarHBondContact CB-O 3.37Å; F1398-Q1403 HydrophobicContact CB-CB 4.49Å; F1398-Q1403 HydrophobicContact CD1-CB 3.77Å; F1398-Q1403 HydrophobicContact CD1-CG 4.43Å; F1398-Q1403 PolarHBondContact O-N 2.94Å; N1401-Q1403 HydrophobicContact CB-CG 3.91Å; N1401-Q1403 PolarHBondContact O-N 3.17Å
1404F90.3Very high78.5Confident4 Ų442.9 Ų42.92%0.01825%0.247CC..  trans-104.9133.8170.9-57.8-50.2000109.9A1328 L1330 Y1357 L1395 F1398 L1399 K1402 V1407 I1439A1328-F1404 HydrophobicContact CB-CD1 4.39Å; L1330-F1404 HydrophobicContact CB-CD1 4.05Å; L1330-F1404 HydrophobicContact CB-CD2 3.97Å; L1330-F1404 HydrophobicContact CB-CE1 4.22Å; L1330-F1404 HydrophobicContact CB-CE2 4.11Å; L1330-F1404 HydrophobicContact CB-CG 3.93Å; L1330-F1404 HydrophobicContact CB-CZ 4.25Å; L1330-F1404 HydrophobicContact CD1-CE2 4.21Å; L1330-F1404 HydrophobicContact CD1-CZ 4.04Å; L1330-F1404 HydrophobicContact CD2-CD2 3.99Å; L1330-F1404 HydrophobicContact CD2-CE2 3.81Å; L1330-F1404 HydrophobicContact CD2-CZ 4.47Å; L1330-F1404 HydrophobicContact CG-CD2 4.48Å; L1330-F1404 HydrophobicContact CG-CE2 4.26Å; L1330-F1404 HydrophobicContact CG-CZ 4.47Å; Y1357-F1404 HydrophobicContact CD1-CE1 4.24Å; Y1357-F1404 HydrophobicContact CD2-CD1 4.02Å; Y1357-F1404 AromaticContact CD2-CE1 3.5Å; Y1357-F1404 HydrophobicContact CD2-CE1 3.5Å; Y1357-F1404 HydrophobicContact CE2-CE1 4.08Å; Y1357-F1404 HydrophobicContact CG-CD1 4.48Å; Y1357-F1404 AromaticContact CG-CE1 3.57Å; Y1357-F1404 HydrophobicContact CG-CE1 3.57Å; Y1357-F1404 HydrophobicContact CG-CZ 4.32Å; L1395-F1404 HydrophobicContact CD1-CE2 3.84Å; L1395-F1404 HydrophobicContact CD1-CZ 4.21Å; F1398-F1404 HydrophobicContact CB-CD2 3.98Å; F1398-F1404 HydrophobicContact CB-CE1 4.4Å; F1398-F1404 HydrophobicContact CB-CE2 3.29Å; F1398-F1404 HydrophobicContact CB-CZ 3.54Å; F1398-F1404 AromaticContact CD1-CE1 3.95Å; F1398-F1404 HydrophobicContact CD1-CE1 3.95Å; F1398-F1404 HydrophobicContact CD1-CE2 4.33Å; F1398-F1404 AromaticContact CD1-CZ 3.72Å; F1398-F1404 HydrophobicContact CD1-CZ 3.72Å; F1398-F1404 HydrophobicContact CD2-CZ 4.16Å; F1398-F1404 HydrophobicContact CE1-CE1 4.48Å; F1398-F1404 HydrophobicContact CE1-CZ 4.43Å; F1398-F1404 HydrophobicContact CG-CE1 4.29Å; F1398-F1404 AromaticContact CG-CE2 3.91Å; F1398-F1404 HydrophobicContact CG-CE2 3.91Å; F1398-F1404 AromaticContact CG-CZ 3.59Å; F1398-F1404 HydrophobicContact CG-CZ 3.59Å; L1399-F1404 HydrophobicContact CD2-CD2 3.89Å; L1399-F1404 HydrophobicContact CG-CD2 4.24Å; L1399-F1404 HydrophobicContact CG-CE2 4.46Å; K1402-F1404 VanDerWaalsContact C-N 3.35Å; F1404-V1407 HydrophobicContact CB-CG2 4.48Å; F1404-I1439 VanDerWaalsContact O-CG2 3.32Å; F1404-I1439 WeakPolarHBondContact O-CG2 3.5Å
1405D91.8Very high76.9Confident44 Ų4441.2 Ų41.224%0.23525%0.248CC..SBendtrans-93.5-18.1175.8-57.5-49.2000112.2P1325 K1326 N1327 A1328 P1440P1325-D1405 HydrophobicContact CB-CB 3.69Å; K1326-D1405 PolarHBondContact N-OD2 3.23Å; N1327-D1405 WeakPolarHBondContact CA-OD2 3.25Å; N1327-D1405 WeakPolarHBondContact CB-OD2 3.4Å; N1327-D1405 PolarHBondContact N-OD2 2.93Å; A1328-D1405 PolarHBondContact N-OD2 3.49Å; A1328-D1405 VanDerWaalsContact N-OD2 3.13Å; A1328-D1405 PolarHBondContact O-N 2.88Å; D1405-P1440 VanDerWaalsContact O-CD 3.28Å; D1405-P1440 WeakPolarHBondContact O-CD 3.23Å; D1405-P1440 VanDerWaalsContact O-CG 3.32Å; D1405-P1440 WeakPolarHBondContact O-CG 3.38Å
1406L94.4Very high75Confident1 Ų144.8 Ų44.81%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-149.7137.3175.8173.766.4000110.5F1322 P1325 A1328 V1329 L1330 I1408 P1440 V1442 L1451F1322-L1406 HydrophobicContact CE2-CD1 3.97Å; F1322-L1406 HydrophobicContact CZ-CD1 4.25Å; P1325-L1406 HydrophobicContact CB-CB 3.91Å; P1325-L1406 HydrophobicContact CG-CB 4.13Å; P1325-L1406 HydrophobicContact CG-CD2 4.13Å; A1328-L1406 PolarHBondContact O-N 2.63Å; V1329-L1406 CarbonylContact C-O 3.45Å; V1329-L1406 WeakPolarHBondContact CA-O 3.3Å; V1329-L1406 HydrophobicContact CG1-CB 4.2Å; V1329-L1406 HydrophobicContact CG1-CD2 4.03Å; V1329-L1406 HydrophobicContact CG1-CG 4.11Å; V1329-L1406 HydrophobicContact CG2-CB 4.2Å; V1329-L1406 HydrophobicContact CG2-CD2 4.37Å; L1330-L1406 PolarHBondContact N-O 3.45Å; L1406-I1408 HydrophobicContact CD2-CD1 4.2Å; L1406-I1408 HydrophobicContact CD2-CG1 4.24Å; L1406-I1408 HydrophobicContact CG-CG1 4.26Å; L1406-P1440 HydrophobicContact CD1-CB 3.98Å; L1406-V1442 HydrophobicContact CD1-CG2 4.19Å; L1406-L1451 HydrophobicContact CD2-CD2 4.38Å
1407V94.1Very high73.4Confident0 Ų046.9 Ų46.90%030%0.304CS..EExtended strand (participates in β ladder)trans-115.6123.6171.9179.10000109.3L1330 L1399 F1404 N1409 T1430 A1434 I1439 P1440 L1441 V1442L1330-V1407 HydrophobicContact CB-CG2 4.25Å; L1330-V1407 HydrophobicContact CD2-CG1 4.02Å; L1330-V1407 HydrophobicContact CD2-CG2 4.15Å; L1399-V1407 HydrophobicContact CD2-CG2 4.03Å; F1404-V1407 HydrophobicContact CB-CG2 4.48Å; V1407-N1409 HydrophobicContact CG1-CB 4.17Å; V1407-T1430 HydrophobicContact CG1-CG2 4.05Å; V1407-A1434 HydrophobicContact CB-CB 4.4Å; V1407-A1434 HydrophobicContact CG2-CB 4.16Å; V1407-I1439 HydrophobicContact CG2-CG2 3.86Å; V1407-P1440 PolarHBondContact N-O 2.84Å; V1407-L1441 HydrophobicContact CB-CD1 4.06Å; V1407-L1441 HydrophobicContact CG1-CD1 3.84Å; V1407-L1441 WeakPolarHBondContact O-CA 3.19Å; V1407-V1442 PolarHBondContact O-N 3.04Å
1408I94.7Very high71.9Confident1 Ų147 Ų471%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-107.4105.8170.1-61.8167.4000107.3V1329 L1330 L1331 S1332 L1349 L1406 L1410 T1448V1329-I1408 HydrophobicContact CG1-CD1 4.14Å; L1330-I1408 PolarHBondContact O-N 2.86Å; L1331-I1408 HydrophobicContact CD2-CB 4.03Å; L1331-I1408 HydrophobicContact CD2-CD1 3.75Å; L1331-I1408 HydrophobicContact CD2-CG1 4.34Å; S1332-I1408 PolarHBondContact N-O 3Å; L1349-I1408 HydrophobicContact CD1-CD1 4.13Å; L1406-I1408 HydrophobicContact CD2-CD1 4.2Å; L1406-I1408 HydrophobicContact CD2-CG1 4.24Å; L1406-I1408 HydrophobicContact CG-CG1 4.26Å; I1408-L1410 HydrophobicContact CG2-CD2 4.45Å; I1408-L1410 HydrophobicContact CG2-CG 4.33Å; I1408-T1448 HydrophobicContact CD1-CG2 3.81Å; I1408-T1448 HydrophobicContact CG1-CG2 4.39Å; I1408-T1448 HydrophobicContact CG2-CG2 4.05Å
1409N92.3Very high70Confident3 Ų355.4 Ų55.42%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-123.793.3-176.7-170.1-64.2000110.5S1332 V1407 P1411 R1431 L1441 V1442 T1443S1332-N1409 CarbonylContact O-C 3.58Å; S1332-N1409 WeakPolarHBondContact O-CA 3.49Å; V1407-N1409 HydrophobicContact CG1-CB 4.17Å; N1409-P1411 WeakPolarHBondContact O-CD 3.49Å; N1409-R1431 HydrophobicContact CB-CG 3.88Å; N1409-R1431 PolarHBondContact OD1-NH1 2.97Å; N1409-L1441 HydrophobicContact CB-CD1 4.04Å; N1409-V1442 PolarHBondContact N-O 3.02Å; N1409-T1443 WeakPolarHBondContact O-CA 3.37Å
1410L88.8Confident68.2Low4 Ų460.1 Ų60.12%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-92.3114.3178.9-56.8-169.5000110.3S1332 I1333 G1334 H1338 L1342 I1408 T1443 D1444 V1445S1332-L1410 PolarHBondContact O-N 3.48Å; I1333-L1410 HydrophobicContact CG1-CG 4.44Å; I1333-L1410 HydrophobicContact CG2-CB 4.35Å; I1333-L1410 HydrophobicContact CG2-CD1 4.17Å; G1334-L1410 PolarHBondContact N-O 2.78Å; H1338-L1410 HydrophobicContact CB-CD1 3.98Å; L1342-L1410 HydrophobicContact CD1-CD1 3.45Å; L1342-L1410 VanDerWaalsContact CD1-CD1 3.45Å; L1342-L1410 HydrophobicContact CD1-CG 4.44Å; I1408-L1410 HydrophobicContact CG2-CD2 4.45Å; I1408-L1410 HydrophobicContact CG2-CG 4.33Å; L1410-T1443 WeakPolarHBondContact CD2-O 3.37Å; L1410-D1444 VanDerWaalsContact CD2-C 3.46Å; L1410-V1445 HydrophobicContact CD1-CB 3.84Å; L1410-V1445 HydrophobicContact CD1-CG2 4.05Å
1411P75.1Confident66.6Low29 Ų2963.6 Ų63.619%0.18838%0.381CS..  trans-69.8157.9-177.429.4-35.2000113.1Q1291 N1409 S1413Q1291-P1411 HydrophobicContact CG-CG 4.14Å; N1409-P1411 WeakPolarHBondContact O-CD 3.49Å; P1411-S1413 PolarHBondContact O-N 2.99Å
1412M66.3Low64.7Low126 Ų12662 Ų6262%0.62138%0.378SS*.  trans-78.9112.7168.2-78.8178.942.400109.8G1414M1412-G1414 PolarHBondContact O-N 3.4Å
1413S53Low63.1Low74 Ų7464.6 Ų64.652%0.51739%0.389SS..SBendtrans-82.4-1.7-178.432.40000115.2Y1116 P1411Y1116-S1413 WeakPolarHBondContact CE1-O 3.48Å; P1411-S1413 PolarHBondContact O-N 2.99Å
1414G44.9Very low61.6Low72 Ų7265.6 Ų65.674%0.74240%0.395SS*.SBendtrans-138.99.9-166.500000118.8M1412M1412-G1414 PolarHBondContact O-N 3.4Å
1415G34.9Very low60.5Low35 Ų3568.1 Ų68.136%0.36141%0.411SS..SBendtrans-101146171.200000110.1A1417G1415-A1417 PolarHBondContact O-N 2.85Å
1416G36.5Very low59.6Low80 Ų8070.2 Ų70.283%0.82542%0.419SS*.SBendtrans-57.925.817800000117.2R1418G1416-R1418 PolarHBondContact O-N 3.06Å
1417A36.8Very low58.9Low73 Ų7370.8 Ų70.860%0.60343%0.425SS*.  trans-72.6-0169.900000113.6G1415 R1419G1415-A1417 PolarHBondContact O-N 2.85Å; A1417-R1419 PolarHBondContact O-N 2.88Å; A1417-R1419 VanDerWaalsContact O-N 3.16Å
1418R43.5Very low58.2Low110 Ų11071.9 Ų71.942%0.41543%0.43SS..  trans-78.728.2171.3-110.9-169.2-171.1-171.28.3113.7V1114 Y1116 Y1124 G1416 V1420V1114-R1418 PolarHBondContact O-NH1 2.86Å; Y1116-R1418 VanDerWaalsContact CE2-NH1 3.35Å; Y1124-R1418 PolarHBondContact OH-NH1 2.59Å; Y1124-R1418 VanDerWaalsContact OH-NH1 3.08Å; G1416-R1418 PolarHBondContact O-N 3.06Å; R1418-V1420 VanDerWaalsContact C-N 3.28Å; R1418-V1420 PolarHBondContact O-N 3.44Å
1419R39.7Very low57.5Low182 Ų18274.5 Ų74.569%0.68744%0.44SS*.  trans-61.498.2161.2-77.4-170.9-175.5-179.92107.4A1417 S1421 S1422A1417-R1419 PolarHBondContact O-N 2.88Å; A1417-R1419 VanDerWaalsContact O-N 3.16Å; R1419-S1421 PolarHBondContact O-N 2.94Å; R1419-S1422 PolarHBondContact O-N 3.21Å
1420V42.3Very low57.2Low98 Ų9874.4 Ų74.459%0.59444%0.439SS*.THydrogen-bonded Turntrans-52.6-23.5-178.3-176.60000111.4R1418R1418-V1420 VanDerWaalsContact C-N 3.28Å; R1418-V1420 PolarHBondContact O-N 3.44Å
1421S38.2Very low57.2Low113 Ų11374.4 Ų74.479%0.7944%0.439SS*.THydrogen-bonded Turntrans-100.1-11.8-174.557.80000118.6R1419R1419-S1421 PolarHBondContact O-N 2.94Å
1422S38.9Very low57.6Low60 Ų6074 Ų7442%0.4243%0.433SS..THydrogen-bonded Turntrans-147.89.6-161.150.70000123.2R1419R1419-S1422 PolarHBondContact O-N 3.21Å
1423F43.1Very low58.5Low158 Ų15869.7 Ų69.769%0.69341%0.413SS*.  trans-139118.5168.7-107.3-91.2000114.6T1425F1423-T1425 PolarHBondContact O-N 2.98Å; F1423-T1425 VanDerWaalsContact O-N 3.12Å
1424M53Low60.1Low111 Ų11166.1 Ų66.155%0.54739%0.388SS..  trans-69.396.1157.2-68.2-171.8-151.200107.6Y1428 R1429M1424-Y1428 HydrophobicContact CB-CD1 4.48Å; M1424-R1429 HydrophobicContact CB-CG 4.36Å; M1424-R1429 PolarHBondContact SD-NE 3.34Å; M1424-R1429 VanDerWaalsContact SD-NE 3.36Å; M1424-R1429 PolarHBondContact SD-NH2 3.08Å
1425T67.8Low62.1Low56 Ų5663.8 Ų63.834%0.34436%0.359SS..  trans-63.6147.4173.263.20000109.8F1423 G1427 Y1428 R1429F1423-T1425 PolarHBondContact O-N 2.98Å; F1423-T1425 VanDerWaalsContact O-N 3.12Å; T1425-G1427 PolarHBondContact O-N 3.22Å; T1425-Y1428 WeakPolarHBondContact O-CB 3.33Å; T1425-Y1428 PolarHBondContact O-N 3.21Å; T1425-Y1428 VanDerWaalsContact O-N 3.08Å; T1425-Y1428 WeakPolarHBondContact OG1-CB 3.4Å; T1425-Y1428 PolarHBondContact OG1-N 3.43Å; T1425-R1429 PolarHBondContact O-N 3.47Å; T1425-R1429 VanDerWaalsContact O-N 3.14Å
1426H73.4Confident64.1Low89 Ų8963.7 Ų63.741%0.41235%0.35SS..Hα-helixtrans-53.3-41172.8-71.8-37000112.1W1378 F1380 Y1428 R1429 T1430W1378-H1426 HydrophobicContact CB-CB 4.47Å; W1378-H1426 HydrophobicContact CD2-CB 3.64Å; W1378-H1426 HydrophobicContact CE3-CB 3.49Å; W1378-H1426 VanDerWaalsContact CE3-CB 3.49Å; W1378-H1426 HydrophobicContact CG-CB 4.12Å; W1378-H1426 HydrophobicContact CH2-CB 4.11Å; W1378-H1426 HydrophobicContact CZ2-CB 4.34Å; W1378-H1426 HydrophobicContact CZ3-CB 3.65Å; W1378-H1426 WeakPolarHBondContact CZ3-O 3.49Å; F1380-H1426 AromaticContact CD2-CE1 3.96Å; F1380-H1426 AromaticContact CD2-ND1 3.24Å; F1380-H1426 WeakPolarHBondContact CD2-ND1 3.02Å; F1380-H1426 HydrophobicContact CE2-CB 3.77Å; F1380-H1426 AromaticContact CE2-CG 3.86Å; F1380-H1426 AromaticContact CE2-ND1 3.37Å; F1380-H1426 WeakPolarHBondContact CE2-ND1 3.43Å; F1380-H1426 WeakPolarHBondContact CZ-O 3.48Å; H1426-Y1428 PolarHBondContact O-N 3.39Å; H1426-R1429 PolarHBondContact O-N 2.68Å; H1426-T1430 PolarHBondContact O-N 3.07Å
1427G79Confident66.2Low13 Ų1362.3 Ų62.313%0.13432%0.321CS..Hα-helixtrans-59.8-41.8174.900000114.1T1425 T1430 R1431T1425-G1427 PolarHBondContact O-N 3.22Å; G1427-T1430 PolarHBondContact O-N 2.93Å; G1427-R1431 WeakPolarHBondContact O-CG 3.33Å; G1427-R1431 PolarHBondContact O-N 2.96Å; G1427-R1431 VanDerWaalsContact O-N 3.07Å; G1427-R1431 PolarHBondContact O-NH1 3.25Å
1428Y80.4Confident68.3Low23 Ų2362.7 Ų62.79%0.0932%0.319CS..Hα-helixtrans-60.1-48.5173.6162.7-95000111.5R761 G1287 D1289 M1424 T1425 H1426 T1430 R1431 R1432R761-Y1428 VanDerWaalsContact NH1-CE2 3.3Å; R761-Y1428 VanDerWaalsContact NH1-CZ 3.3Å; G1287-Y1428 PolarHBondContact O-OH 3.31Å; D1289-Y1428 HydrophobicContact CB-CD2 4.1Å; D1289-Y1428 HydrophobicContact CB-CE2 4.17Å; M1424-Y1428 HydrophobicContact CB-CD1 4.48Å; T1425-Y1428 WeakPolarHBondContact O-CB 3.33Å; T1425-Y1428 PolarHBondContact O-N 3.21Å; T1425-Y1428 VanDerWaalsContact O-N 3.08Å; T1425-Y1428 WeakPolarHBondContact OG1-CB 3.4Å; T1425-Y1428 PolarHBondContact OG1-N 3.43Å; H1426-Y1428 PolarHBondContact O-N 3.39Å; Y1428-T1430 VanDerWaalsContact C-N 3.29Å; Y1428-T1430 PolarHBondContact O-N 3.41Å; Y1428-R1431 PolarHBondContact O-N 3.34Å; Y1428-R1432 WeakPolarHBondContact O-CB 3.31Å; Y1428-R1432 PolarHBondContact O-N 3.17Å
1429R80.1Confident70.4Confident56 Ų5658 Ų5821%0.21130%0.302CS..Hα-helixtrans-58.9-41179.3-70-173177.6177.41.5111.2F1380 D1381 M1424 T1425 H1426 R1432 L1433F1380-R1429 HydrophobicContact CD1-CB 3.8Å; F1380-R1429 HydrophobicContact CD1-CG 4.41Å; F1380-R1429 HydrophobicContact CD2-CB 4.4Å; F1380-R1429 HydrophobicContact CE1-CB 3.39Å; F1380-R1429 HydrophobicContact CE1-CG 4.44Å; F1380-R1429 HydrophobicContact CE2-CB 4.01Å; F1380-R1429 HydrophobicContact CG-CB 4.29Å; F1380-R1429 HydrophobicContact CZ-CB 3.5Å; F1380-R1429 VanDerWaalsContact CZ-CB 3.5Å; D1381-R1429 IonicContact OD1-CZ 3.6Å; D1381-R1429 IonicContact OD1-NH1 3.78Å; D1381-R1429 PolarHBondContact OD1-NH1 3.23Å; D1381-R1429 IonicContact OD1-NH2 2.74Å; M1424-R1429 HydrophobicContact CB-CG 4.36Å; M1424-R1429 PolarHBondContact SD-NE 3.34Å; M1424-R1429 VanDerWaalsContact SD-NE 3.36Å; M1424-R1429 PolarHBondContact SD-NH2 3.08Å; T1425-R1429 PolarHBondContact O-N 3.47Å; T1425-R1429 VanDerWaalsContact O-N 3.14Å; H1426-R1429 PolarHBondContact O-N 2.68Å; R1429-R1432 PolarHBondContact O-N 3.39Å; R1429-L1433 WeakPolarHBondContact O-CB 3.33Å; R1429-L1433 VanDerWaalsContact O-CG 3.29Å; R1429-L1433 WeakPolarHBondContact O-CG 3.49Å; R1429-L1433 PolarHBondContact O-N 3.33Å
1430T85.1Confident72.9Confident0 Ų050.3 Ų50.30%028%0.275CS..Hα-helixtrans-65.8-43.3175.6-75.50000114L1330 W1378 L1395 L1399 V1407 H1426 G1427 Y1428 R1432 L1433 A1434L1330-T1430 HydrophobicContact CD2-CG2 4.07Å; W1378-T1430 WeakPolarHBondContact CZ3-OG1 3.23Å; L1395-T1430 HydrophobicContact CD2-CG2 4.5Å; L1395-T1430 WeakPolarHBondContact CD2-OG1 3.39Å; L1399-T1430 HydrophobicContact CD1-CG2 4.14Å; V1407-T1430 HydrophobicContact CG1-CG2 4.05Å; H1426-T1430 PolarHBondContact O-N 3.07Å; G1427-T1430 PolarHBondContact O-N 2.93Å; Y1428-T1430 VanDerWaalsContact C-N 3.29Å; Y1428-T1430 PolarHBondContact O-N 3.41Å; T1430-R1432 VanDerWaalsContact C-N 3.31Å; T1430-R1432 PolarHBondContact O-N 2.92Å; T1430-L1433 PolarHBondContact O-N 2.83Å; T1430-A1434 WeakPolarHBondContact O-CB 3.25Å; T1430-A1434 PolarHBondContact O-N 3.45Å
1431R88.3Confident75.3Confident4 Ų447.2 Ų47.22%0.01526%0.255CS..Hα-helixtrans-61.3-43.3176.1-70.6-169.8-60.6-81.10.2111.4D1289 V1290 N1409 G1427 Y1428 A1434 V1435 L1441 T1443D1289-R1431 IonicContact OD1-CZ 3.63Å; D1289-R1431 IonicContact OD1-NE 3.96Å; D1289-R1431 PolarHBondContact OD1-NE 3.48Å; D1289-R1431 IonicContact OD1-NH2 3.49Å; D1289-R1431 PolarHBondContact OD1-NH2 2.99Å; D1289-R1431 IonicContact OD2-NH2 3.98Å; D1289-R1431 PolarHBondContact OD2-NH2 3.43Å; V1290-R1431 HydrophobicContact CG2-CB 4.38Å; N1409-R1431 HydrophobicContact CB-CG 3.88Å; N1409-R1431 PolarHBondContact OD1-NH1 2.97Å; G1427-R1431 WeakPolarHBondContact O-CG 3.33Å; G1427-R1431 PolarHBondContact O-N 2.96Å; G1427-R1431 VanDerWaalsContact O-N 3.07Å; G1427-R1431 PolarHBondContact O-NH1 3.25Å; Y1428-R1431 PolarHBondContact O-N 3.34Å; R1431-A1434 PolarHBondContact O-N 3.36Å; R1431-V1435 WeakPolarHBondContact O-CG2 3.49Å; R1431-V1435 PolarHBondContact O-N 3.49Å; R1431-L1441 HydrophobicContact CB-CD2 3.88Å; R1431-L1441 HydrophobicContact CG-CD1 4.18Å; R1431-L1441 HydrophobicContact CG-CD2 4Å; R1431-T1443 HydrophobicContact CG-CG2 4.37Å
1432R84.9Confident77.9Confident20 Ų2042.2 Ų42.28%0.07522%0.22CC..Hα-helixtrans-60.8-51.7177.9-170.161.5-97.2173.6-11.2111.4F1282 L1285 A1288 Y1428 R1429 T1430 A1434 V1435 D1436F1282-R1432 PolarHBondContact O-NH1 2.96Å; F1282-R1432 PolarHBondContact O-NH2 3.03Å; L1285-R1432 PolarHBondContact O-NH1 3.44Å; A1288-R1432 PolarHBondContact O-NH1 3.45Å; A1288-R1432 VanDerWaalsContact O-NH1 3.12Å; Y1428-R1432 WeakPolarHBondContact O-CB 3.31Å; Y1428-R1432 PolarHBondContact O-N 3.17Å; R1429-R1432 PolarHBondContact O-N 3.39Å; T1430-R1432 VanDerWaalsContact C-N 3.31Å; T1430-R1432 PolarHBondContact O-N 2.92Å; R1432-A1434 VanDerWaalsContact C-N 3.32Å; R1432-A1434 PolarHBondContact O-N 3.16Å; R1432-V1435 PolarHBondContact O-N 2.91Å; R1432-D1436 WeakPolarHBondContact CG-OD2 3.42Å; R1432-D1436 IonicContact CZ-OD1 2.81Å; R1432-D1436 IonicContact NE-OD1 2.71Å; R1432-D1436 PolarHBondContact NE-OD1 2.84Å; R1432-D1436 IonicContact NE-OD2 3.39Å; R1432-D1436 PolarHBondContact NE-OD2 3.45Å; R1432-D1436 IonicContact NH2-OD1 3.6Å; R1432-D1436 PolarHBondContact NH2-OD1 3.18Å; R1432-D1436 WeakPolarHBondContact O-CB 3.35Å; R1432-D1436 PolarHBondContact O-N 2.99Å; R1432-D1436 VanDerWaalsContact O-OD2 3.13Å
1433L84.2Confident80.4Confident36 Ų3640.8 Ų40.819%0.18821%0.209CC..Hα-helixtrans-61.2-37.6176.3-69.4177.1000112.5F1380 A1396 L1399 R1429 T1430 D1436 Y1437F1380-L1433 HydrophobicContact CD1-CD1 4.28Å; F1380-L1433 HydrophobicContact CE1-CD1 3.84Å; A1396-L1433 HydrophobicContact CB-CD1 4.29Å; L1399-L1433 HydrophobicContact CB-CB 4.42Å; L1399-L1433 HydrophobicContact CD1-CB 3.89Å; L1399-L1433 HydrophobicContact CD1-CD1 4.07Å; R1429-L1433 WeakPolarHBondContact O-CB 3.33Å; R1429-L1433 VanDerWaalsContact O-CG 3.29Å; R1429-L1433 WeakPolarHBondContact O-CG 3.49Å; R1429-L1433 PolarHBondContact O-N 3.33Å; T1430-L1433 PolarHBondContact O-N 2.83Å; L1433-D1436 PolarHBondContact O-N 3.03Å; L1433-Y1437 HydrophobicContact CB-CD2 4.13Å; L1433-Y1437 HydrophobicContact CB-CE2 4.09Å; L1433-Y1437 HydrophobicContact CD2-CE2 3.8Å; L1433-Y1437 HydrophobicContact CG-CE2 4.4Å; L1433-Y1437 WeakPolarHBondContact O-CB 3.45Å; L1433-Y1437 WeakPolarHBondContact O-CD2 3.33Å; L1433-Y1437 PolarHBondContact O-N 2.96Å
1434A87.7Confident82.7Confident0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-61.8-45.5175.800000111.5V1407 T1430 R1431 R1432 S1438 I1439 L1441V1407-A1434 HydrophobicContact CB-CB 4.4Å; V1407-A1434 HydrophobicContact CG2-CB 4.16Å; T1430-A1434 WeakPolarHBondContact O-CB 3.25Å; T1430-A1434 PolarHBondContact O-N 3.45Å; R1431-A1434 PolarHBondContact O-N 3.36Å; R1432-A1434 VanDerWaalsContact C-N 3.32Å; R1432-A1434 PolarHBondContact O-N 3.16Å; A1434-S1438 PolarHBondContact O-N 3.25Å; A1434-S1438 VanDerWaalsContact O-N 3.13Å; A1434-I1439 HydrophobicContact CB-CB 4.4Å; A1434-I1439 PolarHBondContact O-N 3.05Å; A1434-L1441 HydrophobicContact CB-CB 4.43Å
1435V85.3Confident84.6Confident23 Ų2329.7 Ų29.714%0.13916%0.159CC..Hα-helixtrans-64.9-45.1175.2174.20000111.5F1282 V1290 R1431 R1432 Y1437 S1438 L1441F1282-V1435 HydrophobicContact CB-CG1 4.01Å; V1290-V1435 HydrophobicContact CG2-CG2 3.6Å; R1431-V1435 WeakPolarHBondContact O-CG2 3.49Å; R1431-V1435 PolarHBondContact O-N 3.49Å; R1432-V1435 PolarHBondContact O-N 2.91Å; V1435-Y1437 VanDerWaalsContact C-N 3.35Å; V1435-Y1437 PolarHBondContact O-N 3.2Å; V1435-S1438 PolarHBondContact O-N 2.66Å; V1435-S1438 VanDerWaalsContact O-N 3.08Å; V1435-L1441 HydrophobicContact CG2-CD2 4.03Å
1436D77.9Confident85.8Confident33 Ų3329.8 Ų29.818%0.17616%0.155CC..Hα-helixtrans-62.5-40.8-179.8-64.1-23.1000111.2H594 R1432 L1433 S1438H594-D1436 PolarHBondContact CE1-O 3.48Å; H594-D1436 PolarHBondContact ND1-O 3.42Å; H594-D1436 PolarHBondContact NE2-O 2.98Å; R1432-D1436 WeakPolarHBondContact CG-OD2 3.42Å; R1432-D1436 IonicContact CZ-OD1 2.81Å; R1432-D1436 IonicContact NE-OD1 2.71Å; R1432-D1436 PolarHBondContact NE-OD1 2.84Å; R1432-D1436 IonicContact NE-OD2 3.39Å; R1432-D1436 PolarHBondContact NE-OD2 3.45Å; R1432-D1436 IonicContact NH2-OD1 3.6Å; R1432-D1436 PolarHBondContact NH2-OD1 3.18Å; R1432-D1436 WeakPolarHBondContact O-CB 3.35Å; R1432-D1436 PolarHBondContact O-N 2.99Å; R1432-D1436 VanDerWaalsContact O-OD2 3.13Å; L1433-D1436 PolarHBondContact O-N 3.03Å; D1436-S1438 VanDerWaalsContact C-N 3.26Å; D1436-S1438 PolarHBondContact O-N 3.49Å
1437Y80.3Confident86.8Confident51 Ų5126 Ų2620%0.214%0.138CC..THydrogen-bonded Turntrans-844.8176-63.4-56.6000114.3A593 L1399 A1400 K1402 L1433 V1435 I1439A593-Y1437 HydrophobicContact CB-CD1 3.81Å; A593-Y1437 HydrophobicContact CB-CE1 3.61Å; L1399-Y1437 HydrophobicContact CB-CD2 3.99Å; L1399-Y1437 HydrophobicContact CB-CE2 4.23Å; L1399-Y1437 WeakPolarHBondContact O-CD2 3.42Å; A1400-Y1437 VanDerWaalsContact CA-CE2 3.49Å; A1400-Y1437 HydrophobicContact CB-CE1 4.31Å; A1400-Y1437 HydrophobicContact CB-CE2 3.96Å; A1400-Y1437 WeakPolarHBondContact CB-OH 3.47Å; K1402-Y1437 WeakPolarHBondContact CE-O 3.41Å; L1433-Y1437 HydrophobicContact CB-CD2 4.13Å; L1433-Y1437 HydrophobicContact CB-CE2 4.09Å; L1433-Y1437 HydrophobicContact CD2-CE2 3.8Å; L1433-Y1437 HydrophobicContact CG-CE2 4.4Å; L1433-Y1437 WeakPolarHBondContact O-CB 3.45Å; L1433-Y1437 WeakPolarHBondContact O-CD2 3.33Å; L1433-Y1437 PolarHBondContact O-N 2.96Å; V1435-Y1437 VanDerWaalsContact C-N 3.35Å; V1435-Y1437 PolarHBondContact O-N 3.2Å; Y1437-I1439 VanDerWaalsContact C-N 3.25Å; Y1437-I1439 PolarHBondContact O-N 3.09Å
1438S80.9Confident87.6Confident81 Ų8125.3 Ų25.357%0.56613%0.132SC*.THydrogen-bonded Turntrans57.435.5-177.9-52.70000113.7A1434 V1435 D1436A1434-S1438 PolarHBondContact O-N 3.25Å; A1434-S1438 VanDerWaalsContact O-N 3.13Å; V1435-S1438 PolarHBondContact O-N 2.66Å; V1435-S1438 VanDerWaalsContact O-N 3.08Å; D1436-S1438 VanDerWaalsContact C-N 3.26Å; D1436-S1438 PolarHBondContact O-N 3.49Å
1439I88.2Confident88.3Confident11 Ų1127.5 Ų27.56%0.05614%0.142CC..  trans-87.5128173.8-59171.3000108.2L1399 F1404 V1407 A1434 Y1437 L1441L1399-I1439 HydrophobicContact CB-CD1 4.44Å; L1399-I1439 HydrophobicContact CD2-CD1 3.68Å; F1404-I1439 VanDerWaalsContact O-CG2 3.32Å; F1404-I1439 WeakPolarHBondContact O-CG2 3.5Å; V1407-I1439 HydrophobicContact CG2-CG2 3.86Å; A1434-I1439 HydrophobicContact CB-CB 4.4Å; A1434-I1439 PolarHBondContact O-N 3.05Å; Y1437-I1439 VanDerWaalsContact C-N 3.25Å; Y1437-I1439 PolarHBondContact O-N 3.09Å; I1439-L1441 PolarHBondContact O-N 3.32Å
1440P91.7Very high89Confident20 Ų2025.3 Ų25.313%0.1313%0.134CC..  trans-49.4131.4175.8-29.635.1000112.9F1322 Q1323 D1405 L1406 V1407F1322-P1440 HydrophobicContact CD2-CB 3.87Å; F1322-P1440 HydrophobicContact CE2-CB 3.7Å; F1322-P1440 HydrophobicContact CZ-CB 4.45Å; Q1323-P1440 HydrophobicContact CB-CG 4.18Å; D1405-P1440 VanDerWaalsContact O-CD 3.28Å; D1405-P1440 WeakPolarHBondContact O-CD 3.23Å; D1405-P1440 VanDerWaalsContact O-CG 3.32Å; D1405-P1440 WeakPolarHBondContact O-CG 3.38Å; L1406-P1440 HydrophobicContact CD1-CB 3.98Å; V1407-P1440 PolarHBondContact N-O 2.84Å
1441L92.4Very high89.5Confident33 Ų3325.4 Ų25.417%0.17313%0.134CC..EExtended strand (participates in β ladder)trans-130.8132.3-174.817364.2000110.7V1290 V1407 N1409 R1431 A1434 V1435 I1439 T1443V1290-L1441 HydrophobicContact CB-CD2 4.08Å; V1290-L1441 HydrophobicContact CG1-CD2 3.85Å; V1290-L1441 HydrophobicContact CG2-CD2 4.12Å; V1407-L1441 HydrophobicContact CB-CD1 4.06Å; V1407-L1441 HydrophobicContact CG1-CD1 3.84Å; V1407-L1441 WeakPolarHBondContact O-CA 3.19Å; N1409-L1441 HydrophobicContact CB-CD1 4.04Å; R1431-L1441 HydrophobicContact CB-CD2 3.88Å; R1431-L1441 HydrophobicContact CG-CD1 4.18Å; R1431-L1441 HydrophobicContact CG-CD2 4Å; A1434-L1441 HydrophobicContact CB-CB 4.43Å; V1435-L1441 HydrophobicContact CG2-CD2 4.03Å; I1439-L1441 PolarHBondContact O-N 3.32Å; L1441-T1443 HydrophobicContact CD1-CG2 4.05Å; L1441-T1443 HydrophobicContact CD2-CG2 4.05Å; L1441-T1443 HydrophobicContact CG-CG2 3.91Å
1442V93.3Very high89.8Confident9 Ų925.3 Ų25.36%0.05513%0.134CC..EExtended strand (participates in β ladder)trans-123.2129.7170.1-175.30000109.6L1406 V1407 N1409 C1447 T1448 L1451L1406-V1442 HydrophobicContact CD1-CG2 4.19Å; V1407-V1442 PolarHBondContact O-N 3.04Å; N1409-V1442 PolarHBondContact N-O 3.02Å; V1442-C1447 HydrophobicContact CG1-CB 4.23Å; V1442-T1448 VanDerWaalsContact CG1-OG1 3.31Å; V1442-T1448 WeakPolarHBondContact CG1-OG1 3.42Å; V1442-L1451 HydrophobicContact CG2-CD2 3.75Å
1443T91Very high90.3Very high29 Ų2927.2 Ų27.218%0.17814%0.144CC..  trans-117.9-3.7-174.555.40000114.3V1290 N1409 L1410 R1431 L1441V1290-T1443 HydrophobicContact CG1-CG2 4.38Å; V1290-T1443 PolarHBondContact O-OG1 2.85Å; N1409-T1443 WeakPolarHBondContact O-CA 3.37Å; L1410-T1443 WeakPolarHBondContact CD2-O 3.37Å; R1431-T1443 HydrophobicContact CG-CG2 4.37Å; L1441-T1443 HydrophobicContact CD1-CG2 4.05Å; L1441-T1443 HydrophobicContact CD2-CG2 4.05Å; L1441-T1443 HydrophobicContact CG-CG2 3.91Å
1444D92.2Very high90.8Very high33 Ų3325.5 Ų25.518%0.17614%0.135CC..  trans-113.9143177.9-179.1-96000113E1170 L1410 K1446 C1447 T1448E1170-D1444 HydrophobicContact CG-CB 4.43Å; L1410-D1444 VanDerWaalsContact CD2-C 3.46Å; D1444-K1446 WeakPolarHBondContact OD1-CA 3.45Å; D1444-K1446 WeakPolarHBondContact OD1-CB 3.37Å; D1444-K1446 PolarHBondContact OD1-N 3.4Å; D1444-C1447 HydrophobicContact CB-CB 4.2Å; D1444-C1447 PolarHBondContact OD1-N 3.35Å; D1444-T1448 WeakPolarHBondContact O-CB 3.46Å; D1444-T1448 PolarHBondContact O-N 3.32Å; D1444-T1448 PolarHBondContact O-OG1 3.11Å
1445V92.6Very high91Very high3 Ų325.7 Ų25.72%0.01814%0.136CC..Hα-helixtrans-70.4-39.3-176.367.50000112.6E1341 L1342 L1410 K1449E1341-V1445 HydrophobicContact CG-CG2 4.33Å; L1342-V1445 HydrophobicContact CD1-CG2 4.24Å; L1342-V1445 HydrophobicContact CD2-CG2 3.94Å; L1342-V1445 HydrophobicContact CG-CG2 3.84Å; L1410-V1445 HydrophobicContact CD1-CB 3.84Å; L1410-V1445 HydrophobicContact CD1-CG2 4.05Å; V1445-K1449 WeakPolarHBondContact O-CG 3.48Å; V1445-K1449 PolarHBondContact O-N 3.31Å
1446K93.8Very high91.3Very high58 Ų5829.6 Ų29.625%0.25215%0.148SC..Hα-helixtrans-75.3-41.3-179-58.7-60.8-175.4-1720110.8V1169 N1171 E1341 D1444 T1448 K1449 L1450V1169-K1446 HydrophobicContact CG1-CB 4.17Å; V1169-K1446 WeakPolarHBondContact O-CB 3.35Å; V1169-K1446 WeakPolarHBondContact O-CG 3.17Å; N1171-K1446 WeakPolarHBondContact OD1-CE 3.34Å; E1341-K1446 IonicContact OE1-NZ 2.63Å; E1341-K1446 PolarHBondContact OE1-NZ 2.62Å; E1341-K1446 IonicContact OE2-NZ 3.59Å; D1444-K1446 WeakPolarHBondContact OD1-CA 3.45Å; D1444-K1446 WeakPolarHBondContact OD1-CB 3.37Å; D1444-K1446 PolarHBondContact OD1-N 3.4Å; K1446-T1448 VanDerWaalsContact C-N 3.29Å; K1446-T1448 PolarHBondContact O-N 3.32Å; K1446-K1449 WeakPolarHBondContact O-CB 3.46Å; K1446-K1449 PolarHBondContact O-N 2.98Å; K1446-K1449 VanDerWaalsContact O-N 3.14Å; K1446-L1450 PolarHBondContact O-N 3.5Å
1447C94.4Very high91.8Very high9 Ų932.9 Ų32.96%0.06116%0.164CC..Hα-helixtrans-62.1-37.7173-66.20000111.8E1170 V1442 D1444 K1449 L1450 L1451E1170-C1447 PolarHBondContact OE1-SG 3.12Å; V1442-C1447 HydrophobicContact CG1-CB 4.23Å; D1444-C1447 HydrophobicContact CB-CB 4.2Å; D1444-C1447 PolarHBondContact OD1-N 3.35Å; C1447-K1449 VanDerWaalsContact C-N 3.35Å; C1447-K1449 PolarHBondContact O-N 2.97Å; C1447-L1450 PolarHBondContact O-N 3.49Å; C1447-L1451 VanDerWaalsContact O-CB 3.24Å; C1447-L1451 WeakPolarHBondContact O-CB 3.3Å; C1447-L1451 PolarHBondContact O-N 3.47Å
1448T95.1Very high92Very high0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-59.1-45.1173.2-59.20000111.6L1342 I1408 V1442 D1444 K1446 L1451 V1452L1342-T1448 HydrophobicContact CD1-CG2 4.17Å; L1342-T1448 HydrophobicContact CD2-CG2 3.76Å; I1408-T1448 HydrophobicContact CD1-CG2 3.81Å; I1408-T1448 HydrophobicContact CG1-CG2 4.39Å; I1408-T1448 HydrophobicContact CG2-CG2 4.05Å; V1442-T1448 VanDerWaalsContact CG1-OG1 3.31Å; V1442-T1448 WeakPolarHBondContact CG1-OG1 3.42Å; D1444-T1448 WeakPolarHBondContact O-CB 3.46Å; D1444-T1448 PolarHBondContact O-N 3.32Å; D1444-T1448 PolarHBondContact O-OG1 3.11Å; K1446-T1448 VanDerWaalsContact C-N 3.29Å; K1446-T1448 PolarHBondContact O-N 3.32Å; T1448-L1451 PolarHBondContact O-N 3.13Å; T1448-V1452 WeakPolarHBondContact O-CG2 3.23Å; T1448-V1452 PolarHBondContact O-N 3.44Å
1449K95.4Very high91.9Very high69 Ų6932.3 Ų32.330%0.318%0.175SC..Hα-helixtrans-62.8-48.9178.8-67.8167.973.9-177.50111.4E1341 L1342 V1445 K1446 C1447 L1451 V1452 E1453E1341-K1449 HydrophobicContact CG-CD 4.16Å; E1341-K1449 IonicContact OE1-NZ 3.4Å; E1341-K1449 PolarHBondContact OE1-NZ 3.06Å; L1342-K1449 HydrophobicContact CD2-CD 4.44Å; L1342-K1449 HydrophobicContact CD2-CG 3.68Å; V1445-K1449 WeakPolarHBondContact O-CG 3.48Å; V1445-K1449 PolarHBondContact O-N 3.31Å; K1446-K1449 WeakPolarHBondContact O-CB 3.46Å; K1446-K1449 PolarHBondContact O-N 2.98Å; K1446-K1449 VanDerWaalsContact O-N 3.14Å; C1447-K1449 VanDerWaalsContact C-N 3.35Å; C1447-K1449 PolarHBondContact O-N 2.97Å; K1449-L1451 VanDerWaalsContact C-N 3.34Å; K1449-L1451 PolarHBondContact O-N 2.97Å; K1449-V1452 PolarHBondContact O-N 3.39Å; K1449-E1453 WeakPolarHBondContact O-CB 3.34Å; K1449-E1453 PolarHBondContact O-N 2.94Å
1450L95.2Very high91.7Very high10 Ų1033.2 Ų33.25%0.05219%0.186CC..Hα-helixtrans-62.2-42.1179.5-176.261.7000111.3V1169 R1309 Y1310 Y1313 K1446 C1447 E1453 S1454V1169-L1450 HydrophobicContact CB-CD2 4.45Å; V1169-L1450 HydrophobicContact CG1-CB 4.27Å; V1169-L1450 HydrophobicContact CG1-CD2 3.82Å; V1169-L1450 HydrophobicContact CG2-CD2 3.72Å; R1309-L1450 HydrophobicContact CG-CD1 4.43Å; Y1310-L1450 HydrophobicContact CD1-CD1 3.69Å; Y1310-L1450 HydrophobicContact CE1-CD1 3.82Å; Y1313-L1450 HydrophobicContact CD1-CB 4.47Å; Y1313-L1450 HydrophobicContact CD1-CD2 3.87Å; Y1313-L1450 HydrophobicContact CD1-CG 3.66Å; Y1313-L1450 HydrophobicContact CD2-CD2 3.62Å; Y1313-L1450 HydrophobicContact CD2-CG 4.35Å; Y1313-L1450 HydrophobicContact CE1-CB 4.3Å; Y1313-L1450 HydrophobicContact CE1-CD2 4.18Å; Y1313-L1450 HydrophobicContact CE1-CG 3.96Å; Y1313-L1450 HydrophobicContact CE2-CD2 3.96Å; Y1313-L1450 HydrophobicContact CG-CD2 3.56Å; Y1313-L1450 HydrophobicContact CG-CG 3.86Å; K1446-L1450 PolarHBondContact O-N 3.5Å; C1447-L1450 PolarHBondContact O-N 3.49Å; L1450-E1453 PolarHBondContact O-N 3.31Å; L1450-S1454 VanDerWaalsContact O-CB 3.27Å; L1450-S1454 WeakPolarHBondContact O-CB 3.27Å; L1450-S1454 PolarHBondContact O-N 2.95Å; L1450-S1454 PolarHBondContact O-OG 2.97Å; L1450-S1454 VanDerWaalsContact O-OG 3.12Å
1451L95.4Very high91.5Very high1 Ų137.4 Ų37.41%0.00520%0.203CC..Hα-helixtrans-59.7-51.8176.5177.563.3000112.3Y1313 L1314 F1322 L1406 V1442 C1447 T1448 K1449 E1453 S1454 M1455Y1313-L1451 HydrophobicContact CE1-CB 3.92Å; Y1313-L1451 HydrophobicContact CE1-CD1 4.27Å; L1314-L1451 HydrophobicContact CD1-CD1 4.34Å; F1322-L1451 HydrophobicContact CE1-CD1 3.89Å; F1322-L1451 HydrophobicContact CE2-CD2 4.06Å; F1322-L1451 HydrophobicContact CZ-CD1 3.8Å; F1322-L1451 HydrophobicContact CZ-CD2 3.68Å; F1322-L1451 HydrophobicContact CZ-CG 4.36Å; L1406-L1451 HydrophobicContact CD2-CD2 4.38Å; V1442-L1451 HydrophobicContact CG2-CD2 3.75Å; C1447-L1451 VanDerWaalsContact O-CB 3.24Å; C1447-L1451 WeakPolarHBondContact O-CB 3.3Å; C1447-L1451 PolarHBondContact O-N 3.47Å; T1448-L1451 PolarHBondContact O-N 3.13Å; K1449-L1451 VanDerWaalsContact C-N 3.34Å; K1449-L1451 PolarHBondContact O-N 2.97Å; L1451-E1453 VanDerWaalsContact C-N 3.31Å; L1451-E1453 PolarHBondContact O-N 3.32Å; L1451-S1454 PolarHBondContact O-N 3.48Å; L1451-M1455 HydrophobicContact CD1-CG 4.17Å; L1451-M1455 HydrophobicContact CD1-SD 3.93Å; L1451-M1455 HydrophobicContact CG-SD 3.87Å; L1451-M1455 VanDerWaalsContact O-CG 3.25Å; L1451-M1455 WeakPolarHBondContact O-CG 3.19Å; L1451-M1455 PolarHBondContact O-N 3.33Å
1452V94.9Very high91.4Very high2 Ų235.9 Ų35.91%0.01220%0.195CC..Hα-helixtrans-61.6-43.1-179.8173.10000110.7S1345 D1348 L1349 T1448 K1449 M1455 R1456S1345-V1452 WeakPolarHBondContact O-CG1 3.45Å; D1348-V1452 HydrophobicContact CB-CG1 3.96Å; L1349-V1452 HydrophobicContact CD1-CG2 3.84Å; L1349-V1452 HydrophobicContact CD2-CG1 4.32Å; L1349-V1452 HydrophobicContact CD2-CG2 3.92Å; L1349-V1452 HydrophobicContact CG-CG1 4.05Å; L1349-V1452 HydrophobicContact CG-CG2 3.72Å; T1448-V1452 WeakPolarHBondContact O-CG2 3.23Å; T1448-V1452 PolarHBondContact O-N 3.44Å; K1449-V1452 PolarHBondContact O-N 3.39Å; V1452-M1455 PolarHBondContact O-N 2.83Å; V1452-R1456 WeakPolarHBondContact O-CB 3.34Å; V1452-R1456 PolarHBondContact O-N 3.05Å
1453E93.8Very high91.2Very high61 Ų6139.2 Ų39.229%0.28522%0.216SC..Hα-helixtrans-64.3-43.6177.9-171.9165.9-155.400112Y1310 K1449 L1450 L1451 M1455 R1456 M1457Y1310-E1453 HydrophobicContact CD1-CB 4.43Å; Y1310-E1453 HydrophobicContact CD1-CG 3.99Å; Y1310-E1453 HydrophobicContact CE1-CB 4.34Å; Y1310-E1453 VanDerWaalsContact CE1-CD 3.42Å; Y1310-E1453 HydrophobicContact CE1-CG 3.69Å; Y1310-E1453 WeakPolarHBondContact CE1-OE2 3.27Å; K1449-E1453 WeakPolarHBondContact O-CB 3.34Å; K1449-E1453 PolarHBondContact O-N 2.94Å; L1450-E1453 PolarHBondContact O-N 3.31Å; L1451-E1453 VanDerWaalsContact C-N 3.31Å; L1451-E1453 PolarHBondContact O-N 3.32Å; E1453-M1455 PolarHBondContact O-N 2.97Å; E1453-R1456 PolarHBondContact O-N 3.19Å; E1453-R1456 IonicContact OE1-NH2 2.76Å; E1453-M1457 HydrophobicContact CG-CG 4.37Å; E1453-M1457 WeakPolarHBondContact O-CB 3.31Å; E1453-M1457 VanDerWaalsContact O-CG 3.23Å; E1453-M1457 WeakPolarHBondContact O-CG 3.44Å; E1453-M1457 PolarHBondContact O-N 3.23Å
1454S94.5Very high91.2Very high0 Ų039.2 Ų39.20%022%0.215CC..Hα-helixtrans-59.2-43.6173.5-76.80000112.8Y1310 L1450 L1451 N1458Y1310-S1454 VanDerWaalsContact CA-OG 3.22Å; Y1310-S1454 WeakPolarHBondContact CA-OG 3.3Å; Y1310-S1454 WeakPolarHBondContact O-CB 3.49Å; Y1310-S1454 PolarHBondContact O-OG 3.42Å; L1450-S1454 VanDerWaalsContact O-CB 3.27Å; L1450-S1454 WeakPolarHBondContact O-CB 3.27Å; L1450-S1454 PolarHBondContact O-N 2.95Å; L1450-S1454 PolarHBondContact O-OG 2.97Å; L1450-S1454 VanDerWaalsContact O-OG 3.12Å; L1451-S1454 PolarHBondContact O-N 3.48Å; S1454-N1458 WeakPolarHBondContact O-CB 3.27Å; S1454-N1458 PolarHBondContact O-N 3.18Å; S1454-N1458 VanDerWaalsContact O-N 3.1Å; S1454-N1458 PolarHBondContact O-ND2 2.73Å
1455M93.5Very high90.9Very high4 Ų440 Ų402%0.0222%0.217CC..Hα-helixtrans-66.7-40.3177.6-68.3169.555.600111.5L1314 I1324 P1325 L1349 M1352 Y1354 L1451 V1452 E1453 G1459L1314-M1455 HydrophobicContact CD1-CG 4.41Å; I1324-M1455 HydrophobicContact CG2-CE 4.39Å; P1325-M1455 HydrophobicContact CG-CE 3.53Å; P1325-M1455 HydrophobicContact CG-SD 4.35Å; L1349-M1455 HydrophobicContact CD2-CE 4.49Å; M1352-M1455 HydrophobicContact CE-CB 3.84Å; M1352-M1455 HydrophobicContact CE-CE 4.38Å; Y1354-M1455 HydrophobicContact CE2-CE 3.75Å; Y1354-M1455 WeakPolarHBondContact OH-CE 3.07Å; L1451-M1455 HydrophobicContact CD1-CG 4.17Å; L1451-M1455 HydrophobicContact CD1-SD 3.93Å; L1451-M1455 HydrophobicContact CG-SD 3.87Å; L1451-M1455 VanDerWaalsContact O-CG 3.25Å; L1451-M1455 WeakPolarHBondContact O-CG 3.19Å; L1451-M1455 PolarHBondContact O-N 3.33Å; V1452-M1455 PolarHBondContact O-N 2.83Å; E1453-M1455 PolarHBondContact O-N 2.97Å; M1455-G1459 PolarHBondContact O-N 3.45Å
1456R91.8Very high90.4Very high104 Ų10441 Ų4139%0.39222%0.223SC..Hα-helixtrans-63.8-42.9176.8-174.3-175.661.867.12.4112.2D1348 M1352 V1452 E1453D1348-R1456 IonicContact OD2-NE 3.18Å; M1352-R1456 HydrophobicContact SD-CB 4.15Å; V1452-R1456 WeakPolarHBondContact O-CB 3.34Å; V1452-R1456 PolarHBondContact O-N 3.05Å; E1453-R1456 PolarHBondContact O-N 3.19Å; E1453-R1456 IonicContact OE1-NH2 2.76Å
1457M87.7Confident89.7Confident102 Ų10244.1 Ų44.150%0.50224%0.238SC..Hα-helixtrans-74.7-35-176.3-68.1-73.3-87.800112.9E1453E1453-M1457 HydrophobicContact CG-CG 4.37Å; E1453-M1457 WeakPolarHBondContact O-CB 3.31Å; E1453-M1457 VanDerWaalsContact O-CG 3.23Å; E1453-M1457 WeakPolarHBondContact O-CG 3.44Å; E1453-M1457 PolarHBondContact O-N 3.23Å
1458N85.2Confident89.4Confident50 Ų5043.9 Ų43.927%0.26724%0.236SC..Hα-helixtrans-91.5-21.7-178.2-68.4-74.2000113.8L1314 S1454 G1460 P1462L1314-N1458 HydrophobicContact CD2-CB 4.09Å; S1454-N1458 WeakPolarHBondContact O-CB 3.27Å; S1454-N1458 PolarHBondContact O-N 3.18Å; S1454-N1458 VanDerWaalsContact O-N 3.1Å; S1454-N1458 PolarHBondContact O-ND2 2.73Å; N1458-G1460 PolarHBondContact O-N 2.96Å; N1458-P1462 HydrophobicContact CB-CG 4.2Å
1459G78.6Confident89.3Confident71 Ų7143.9 Ų43.973%0.73224%0.236SC*.SBendtrans66.24.3179.800000115.5M1455M1455-G1459 PolarHBondContact O-N 3.45Å
1460G82.9Confident89Confident29 Ų2941.4 Ų41.430%0.29923%0.227SC..SBendtrans164-153.3-174.700000112.1N1458 P1462N1458-G1460 PolarHBondContact O-N 2.96Å; G1460-P1462 WeakPolarHBondContact O-CD 3.37Å
1461K87.8Confident88.8Confident109 Ų10941.6 Ų41.647%0.47423%0.228SC..SBendtrans-69.9121.9173.6-63-178-179.6-1780109.2M1318 I1324M1318-K1461 HydrophobicContact CE-CB 4.38Å; M1318-K1461 HydrophobicContact CE-CD 3.88Å; M1318-K1461 HydrophobicContact CE-CG 3.78Å; M1318-K1461 HydrophobicContact SD-CG 4.44Å; I1324-K1461 HydrophobicContact CD1-CG 3.95Å
1462P91.1Very high88.3Confident1 Ų143.2 Ų43.21%0.00624%0.238CC..PPolyproline II helixtrans-60.6138.3177.1-21.832.2000111.2Y469 E1311 L1314 K1315 N1458 G1460Y469-P1462 VanDerWaalsContact CE1-O 3.23Å; Y469-P1462 WeakPolarHBondContact CE1-O 3.46Å; Y469-P1462 PolarHBondContact OH-O 3.39Å; E1311-P1462 HydrophobicContact CG-CB 4Å; L1314-P1462 HydrophobicContact CB-CG 4.17Å; L1314-P1462 HydrophobicContact CD2-CG 3.83Å; L1314-P1462 HydrophobicContact CG-CG 4.18Å; K1315-P1462 HydrophobicContact CG-CB 4.31Å; K1315-P1462 HydrophobicContact CG-CG 4.29Å; N1458-P1462 HydrophobicContact CB-CG 4.2Å; G1460-P1462 WeakPolarHBondContact O-CD 3.37Å
1463P88Confident87.4Confident78 Ų7845.4 Ų45.451%0.50625%0.253SS..PPolyproline II helixtrans-68.5152.617729.7-34.6000111.3
1464M90.5Very high86.7Confident29 Ų2945.7 Ų45.714%0.14325%0.252CS..PPolyproline II helixtrans-69135.9170.6179-173.480.900110.9Y461 L463 Q472 V473 S476 D1469Y461-M1464 HydrophobicContact CD1-SD 4.05Å; Y461-M1464 HydrophobicContact CE1-CE 4.44Å; Y461-M1464 HydrophobicContact CE1-CG 4.4Å; Y461-M1464 HydrophobicContact CE1-SD 3.71Å; L463-M1464 HydrophobicContact CD1-CB 4.32Å; L463-M1464 HydrophobicContact CD1-CG 3.67Å; L463-M1464 HydrophobicContact CD1-SD 3.74Å; Q472-M1464 HydrophobicContact CB-CB 4.18Å; Q472-M1464 HydrophobicContact CB-CE 4.2Å; Q472-M1464 HydrophobicContact CB-SD 4.15Å; Q472-M1464 WeakPolarHBondContact O-CE 3.43Å; V473-M1464 HydrophobicContact CB-SD 4.31Å; V473-M1464 HydrophobicContact CG2-SD 3.44Å; V473-M1464 WeakPolarHBondContact CG2-SD 3.15Å; S476-M1464 VanDerWaalsContact CB-CE 3.47Å; M1464-D1469 WeakPolarHBondContact CA-OD2 3.27Å
1465K86.8Confident85.9Confident51 Ų5152.3 Ų52.322%0.22228%0.277CS..  trans-123.1107.9172.8-63.7172.5-171.71700108.8D1307 E1311 H1467 T1468 D1469D1307-K1465 IonicContact OD1-NZ 2.81Å; D1307-K1465 IonicContact OD2-NZ 3.82Å; D1307-K1465 PolarHBondContact OD2-NZ 3.35Å; E1311-K1465 VanDerWaalsContact CD-NZ 3.33Å; E1311-K1465 VanDerWaalsContact OE1-CE 3.32Å; E1311-K1465 WeakPolarHBondContact OE1-CE 3.48Å; E1311-K1465 IonicContact OE1-NZ 3.86Å; E1311-K1465 PolarHBondContact OE1-NZ 3.06Å; E1311-K1465 IonicContact OE2-NZ 2.68Å; E1311-K1465 PolarHBondContact OE2-NZ 3.41Å; K1465-H1467 VanDerWaalsContact C-N 3.27Å; K1465-H1467 PolarHBondContact O-N 3.48Å; K1465-H1467 VanDerWaalsContact O-N 3.15Å; K1465-T1468 PolarHBondContact O-N 2.78Å; K1465-T1468 VanDerWaalsContact O-N 3.08Å; K1465-D1469 PolarHBondContact N-OD2 3.12Å; K1465-D1469 WeakPolarHBondContact O-CB 3.2Å; K1465-D1469 PolarHBondContact O-N 3.23Å
1466T82.6Confident85.3Confident24 Ų2454.4 Ų54.415%0.14729%0.288CS..Hα-helixtrans-55.3-37.2-174.7-55.40000114Y461 S476 C1470 R1800Y461-T1466 HydrophobicContact CE1-CG2 4.36Å; Y461-T1466 WeakPolarHBondContact OH-CG2 3.36Å; S476-T1466 PolarHBondContact OG-OG1 2.82Å; T1466-C1470 HydrophobicContact CG2-CB 4.39Å; T1466-C1470 WeakPolarHBondContact O-CB 3.42Å; T1466-C1470 PolarHBondContact O-N 3.13Å; T1466-R1800 PolarHBondContact OG1-NH1 3.43Å
1467H78.8Confident84.9Confident122 Ų12251.5 Ų51.557%0.56528%0.281SS*.Hα-helixtrans-75.1-24.9-178.356.7-81.2000113.6K1465K1465-H1467 VanDerWaalsContact C-N 3.27Å; K1465-H1467 PolarHBondContact O-N 3.48Å; K1465-H1467 VanDerWaalsContact O-N 3.15Å
1468T87.5Confident84.8Confident5 Ų552.6 Ų52.63%0.03128%0.283CS..Hα-helixtrans-94.7-46.1-179.9-51.50000110.7K1272 F1305 G1306 D1307 K1465K1272-T1468 HydrophobicContact CB-CG2 4.19Å; F1305-T1468 HydrophobicContact CB-CG2 4.08Å; F1305-T1468 WeakPolarHBondContact CB-O 3.02Å; F1305-T1468 WeakPolarHBondContact CD2-O 3.38Å; G1306-T1468 VanDerWaalsContact C-CG2 3.45Å; D1307-T1468 PolarHBondContact OD1-OG1 3.01Å; K1465-T1468 PolarHBondContact O-N 2.78Å; K1465-T1468 VanDerWaalsContact O-N 3.08Å
1469D92.8Very high85.2Confident0 Ų050.4 Ų50.40%027%0.272CS..Hα-helixtrans-84.9-14.4-171.1-63.4-41.2000114.1Y461 F462 L463 F1305 K1315 M1464 K1465Y461-D1469 WeakPolarHBondContact CA-O 3.19Å; Y461-D1469 HydrophobicContact CD1-CB 4.46Å; F462-D1469 PolarHBondContact N-O 3.21Å; L463-D1469 HydrophobicContact CD1-CB 4.39Å; L463-D1469 HydrophobicContact CD2-CB 3.9Å; L463-D1469 HydrophobicContact CG-CB 4.11Å; F1305-D1469 VanDerWaalsContact O-OD1 3.13Å; K1315-D1469 IonicContact NZ-OD1 2.98Å; K1315-D1469 PolarHBondContact NZ-OD1 3.14Å; K1315-D1469 IonicContact NZ-OD2 2.72Å; K1315-D1469 PolarHBondContact NZ-OD2 2.82Å; M1464-D1469 WeakPolarHBondContact CA-OD2 3.27Å; K1465-D1469 PolarHBondContact N-OD2 3.12Å; K1465-D1469 WeakPolarHBondContact O-CB 3.2Å; K1465-D1469 PolarHBondContact O-N 3.23Å
1470C90.6Very high85.8Confident16 Ų1648.6 Ų48.611%0.10825%0.247CC..EExtended strand (participates in β ladder)trans-108.9134.3-178.2-168.30000111.7C460 Y461 T1466C460-C1470 CarbonylContact O-C 3.4Å; C460-C1470 VanDerWaalsContact O-CA 3.29Å; C460-C1470 WeakPolarHBondContact O-CA 3.15Å; Y461-C1470 HydrophobicContact CD1-CB 3.96Å; Y461-C1470 HydrophobicContact CD2-CB 4.44Å; Y461-C1470 HydrophobicContact CE1-CB 3.8Å; Y461-C1470 HydrophobicContact CE2-CB 4.26Å; Y461-C1470 HydrophobicContact CG-CB 4.3Å; T1466-C1470 HydrophobicContact CG2-CB 4.39Å; T1466-C1470 WeakPolarHBondContact O-CB 3.42Å; T1466-C1470 PolarHBondContact O-N 3.13Å
1471M89.6Confident86.3Confident14 Ų1447.3 Ų47.37%0.06923%0.233CC..EExtended strand (participates in β ladder)trans-97135.8157-71.5176.865.600109.3K454 K459 C460 F462 K1242 F1305K454-M1471 HydrophobicContact CB-CE 4.22Å; K459-M1471 WeakPolarHBondContact CA-O 3.47Å; C460-M1471 PolarHBondContact N-O 2.63Å; C460-M1471 PolarHBondContact O-N 2.63Å; F462-M1471 HydrophobicContact CD2-CG 4.4Å; F462-M1471 HydrophobicContact CD2-SD 4.45Å; F462-M1471 HydrophobicContact CE2-CB 4.02Å; F462-M1471 HydrophobicContact CE2-CG 3.71Å; F462-M1471 HydrophobicContact CE2-SD 3.45Å; F462-M1471 WeakPolarHBondContact CE2-SD 3.25Å; F462-M1471 HydrophobicContact CZ-SD 3.82Å; K1242-M1471 HydrophobicContact CB-CE 4.06Å; K1242-M1471 HydrophobicContact CB-SD 3.67Å; K1242-M1471 HydrophobicContact CG-CE 4.09Å; K1242-M1471 HydrophobicContact CG-SD 4.1Å; K1242-M1471 VanDerWaalsContact O-SD 3.38Å; F1305-M1471 HydrophobicContact CE2-CG 3.98Å; F1305-M1471 HydrophobicContact CE2-SD 4.09Å; F1305-M1471 HydrophobicContact CZ-SD 4.15Å
1472T84.7Confident86.8Confident35 Ų3542.1 Ų42.122%0.21521%0.211CC..EExtended strand (participates in β ladder)trans-124.9146.4177.3-177.40000110.9K454 D458 R1474 I1476K454-T1472 WeakPolarHBondContact CE-O 3.35Å; D458-T1472 WeakPolarHBondContact O-CA 3.41Å; D458-T1472 PolarHBondContact O-OG1 3.46Å; T1472-R1474 VanDerWaalsContact C-N 3.27Å; T1472-R1474 VanDerWaalsContact CG2-O 3.27Å; T1472-R1474 WeakPolarHBondContact CG2-O 3.11Å; T1472-R1474 PolarHBondContact OG1-N 3.15Å; T1472-I1476 HydrophobicContact CG2-CD1 4.28Å; T1472-I1476 HydrophobicContact CG2-CG1 4.49Å
1473S77.1Confident87.1Confident48 Ų4842.2 Ų42.234%0.33621%0.211SC..SBendtrans-80.1-9.6171.5600000113.1D458D458-S1473 WeakPolarHBondContact CA-OG 3.12Å; D458-S1473 PolarHBondContact O-N 3.03Å; D458-S1473 VanDerWaalsContact O-N 3.08Å; D458-S1473 PolarHBondContact O-OG 3.27Å
1474R78.1Confident87.5Confident68 Ų6838.5 Ų38.526%0.25719%0.187SC..SBendtrans-103.3149.1-176.1-56.7-161.1-179.6-164.7-3.8112D458 T1472 I1476 D1768D458-R1474 IonicContact OD1-NE 3.93Å; D458-R1474 IonicContact OD1-NH2 3.75Å; T1472-R1474 VanDerWaalsContact C-N 3.27Å; T1472-R1474 VanDerWaalsContact CG2-O 3.27Å; T1472-R1474 WeakPolarHBondContact CG2-O 3.11Å; T1472-R1474 PolarHBondContact OG1-N 3.15Å; R1474-I1476 VanDerWaalsContact C-N 3.34Å; R1474-I1476 HydrophobicContact CB-CG1 4.3Å; R1474-I1476 PolarHBondContact O-N 2.92Å; R1474-D1768 WeakPolarHBondContact CD-OD2 3.17Å; R1474-D1768 IonicContact CZ-OD2 2.71Å; R1474-D1768 IonicContact NE-OD2 3.32Å; R1474-D1768 IonicContact NH1-OD2 3.68Å; R1474-D1768 PolarHBondContact NH1-OD2 3.46Å
1475R77.5Confident87.8Confident139 Ų13937.1 Ų37.153%0.52518%0.18SC..  trans-79.282.8174-66.6-176.7-61.3156.48110.6L1769 D1770R1475-L1769 HydrophobicContact CB-CB 4.22Å; R1475-L1769 WeakPolarHBondContact O-CB 3.27Å; R1475-L1769 PolarHBondContact O-N 3.19Å; R1475-D1770 VanDerWaalsContact CB-OD2 3.3Å; R1475-D1770 WeakPolarHBondContact CB-OD2 3.29Å; R1475-D1770 VanDerWaalsContact CG-OD2 3.32Å; R1475-D1770 WeakPolarHBondContact CG-OD2 3.34Å; R1475-D1770 IonicContact CZ-OD1 2.83Å; R1475-D1770 PolarHBondContact N-OD2 3.41Å; R1475-D1770 IonicContact NE-OD1 3.81Å; R1475-D1770 PolarHBondContact NE-OD1 2.89Å; R1475-D1770 IonicContact NE-OD2 3.88Å; R1475-D1770 PolarHBondContact NE-OD2 3.46Å; R1475-D1770 IonicContact NH2-OD1 3.06Å; R1475-D1770 PolarHBondContact NH2-OD1 3.29Å
1476I81.4Confident88.3Confident48 Ų4834.8 Ų34.825%0.24617%0.17CC..EExtended strand (participates in β ladder)trans-88.2120.5173.6-57.8178.5000109.1T1472 R1474 E1766 V1767T1472-I1476 HydrophobicContact CG2-CD1 4.28Å; T1472-I1476 HydrophobicContact CG2-CG1 4.49Å; R1474-I1476 VanDerWaalsContact C-N 3.34Å; R1474-I1476 HydrophobicContact CB-CG1 4.3Å; R1474-I1476 PolarHBondContact O-N 2.92Å; I1476-E1766 HydrophobicContact CG2-CB 3.92Å; I1476-V1767 CarbonylContact C-O 3.46Å; I1476-V1767 VanDerWaalsContact CA-O 3.31Å; I1476-V1767 WeakPolarHBondContact CA-O 3.41Å
1477V84.1Confident88.9Confident42 Ų4233.6 Ų33.626%0.25516%0.163SC..EExtended strand (participates in β ladder)trans-109.2135.5177.3-66.40000111.2L1479 M1740 E1766 V1767 L1769V1477-L1479 HydrophobicContact CG2-CD1 4.29Å; V1477-L1479 HydrophobicContact CG2-CD2 4.26Å; V1477-L1479 HydrophobicContact CG2-CG 4.13Å; V1477-M1740 HydrophobicContact CG2-CE 4.33Å; V1477-E1766 WeakPolarHBondContact O-CA 3.47Å; V1477-V1767 HydrophobicContact CG2-CB 4Å; V1477-V1767 PolarHBondContact N-O 3.24Å; V1477-V1767 PolarHBondContact O-N 2.97Å; V1477-L1769 HydrophobicContact CB-CD1 4.39Å; V1477-L1769 HydrophobicContact CG1-CD1 3.56Å; V1477-L1769 HydrophobicContact CG1-CG 4.22Å; V1477-L1769 HydrophobicContact CG2-CD1 3.9Å; V1477-L1769 HydrophobicContact CG2-CD2 3.92Å; V1477-L1769 HydrophobicContact CG2-CG 3.8Å
1478K85.5Confident89.7Confident126 Ų12628.3 Ų28.355%0.54814%0.138SC..EExtended strand (participates in β ladder)trans-87.4117.3171.9-170.3-179.7-176.5-179.20109.6Y1764K1478-Y1764 HydrophobicContact CD-CD2 4.07Å; K1478-Y1764 HydrophobicContact CD-CE2 4.42Å; K1478-Y1764 HydrophobicContact CD-CG 4.18Å; K1478-Y1764 HydrophobicContact CG-CD2 3.7Å; K1478-Y1764 HydrophobicContact CG-CE2 4.37Å; K1478-Y1764 HydrophobicContact CG-CG 3.99Å
1479L92.8Very high90Very high4 Ų428.1 Ų28.12%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-113.3155.8178.3-58.4179.5000109.8V1477 F1482 M1740 Y1764 V1765 V1767V1477-L1479 HydrophobicContact CG2-CD1 4.29Å; V1477-L1479 HydrophobicContact CG2-CD2 4.26Å; V1477-L1479 HydrophobicContact CG2-CG 4.13Å; L1479-F1482 HydrophobicContact CB-CE2 4.07Å; L1479-F1482 HydrophobicContact CB-CZ 3.83Å; L1479-F1482 HydrophobicContact CD1-CE2 4.02Å; L1479-F1482 HydrophobicContact CD1-CZ 3.84Å; L1479-F1482 HydrophobicContact CG-CZ 4.4Å; L1479-M1740 HydrophobicContact CD1-SD 3.79Å; L1479-M1740 HydrophobicContact CD2-CG 3.88Å; L1479-M1740 HydrophobicContact CD2-SD 3.48Å; L1479-M1740 WeakPolarHBondContact CD2-SD 3.45Å; L1479-M1740 HydrophobicContact CG-SD 4.3Å; L1479-Y1764 CarbonylContact O-C 3.59Å; L1479-Y1764 VanDerWaalsContact O-CA 3.32Å; L1479-Y1764 WeakPolarHBondContact O-CA 3.36Å; L1479-Y1764 VanDerWaalsContact O-CB 3.29Å; L1479-Y1764 WeakPolarHBondContact O-CB 3.35Å; L1479-V1765 HydrophobicContact CB-CB 4.46Å; L1479-V1765 PolarHBondContact N-O 3.19Å; L1479-V1765 PolarHBondContact O-N 3.03Å; L1479-V1767 HydrophobicContact CD1-CB 4.31Å; L1479-V1767 HydrophobicContact CD1-CG2 3.68Å; L1479-V1767 HydrophobicContact CG-CG2 4.48Å
1480P92.8Very high90Very high32 Ų3229.4 Ų29.421%0.20814%0.142CC..EExtended strand (participates in β ladder)trans-63.3159.1172.129.6-36.1000111F1482 K1744 H1748P1480-F1482 HydrophobicContact CG-CE1 4.35Å; P1480-F1482 PolarHBondContact O-N 2.81Å; P1480-K1744 HydrophobicContact CG-CG 4.19Å; P1480-H1748 HydrophobicContact CB-CB 4.37Å; P1480-H1748 HydrophobicContact CG-CB 3.93Å
1481G93.1Very high90.1Very high2 Ų230.3 Ų30.32%0.02115%0.145CC..PPolyproline II helixtrans-60.9121.116900000111.8T1513 H1748G1481-T1513 WeakPolarHBondContact CA-OG1 3.23Å; G1481-H1748 PolarHBondContact O-ND1 3.46Å
1482F97.1Very high90.1Very high0 Ų030.3 Ų30.30%015%0.146CC..EExtended strand (participates in β ladder)trans-79.7153.4-175.9-64.4-63.3000112.6L1479 P1480 G1511 V1512 T1513 L1514 L1726 I1743 F1747 H1748 V1765L1479-F1482 HydrophobicContact CB-CE2 4.07Å; L1479-F1482 HydrophobicContact CB-CZ 3.83Å; L1479-F1482 HydrophobicContact CD1-CE2 4.02Å; L1479-F1482 HydrophobicContact CD1-CZ 3.84Å; L1479-F1482 HydrophobicContact CG-CZ 4.4Å; P1480-F1482 HydrophobicContact CG-CE1 4.35Å; P1480-F1482 PolarHBondContact O-N 2.81Å; F1482-G1511 WeakPolarHBondContact CB-O 3.36Å; F1482-G1511 WeakPolarHBondContact CD2-O 3.26Å; F1482-G1511 PolarHBondContact N-O 3.47Å; F1482-V1512 HydrophobicContact CB-CG2 4.46Å; F1482-V1512 CarbonylContact O-C 3.57Å; F1482-V1512 WeakPolarHBondContact O-CA 3.46Å; F1482-T1513 PolarHBondContact O-N 2.66Å; F1482-T1513 PolarHBondContact O-OG1 3.07Å; F1482-L1514 PolarHBondContact O-N 2.97Å; F1482-L1726 HydrophobicContact CD2-CD1 4.27Å; F1482-L1726 HydrophobicContact CD2-CD2 3.85Å; F1482-L1726 HydrophobicContact CE2-CD1 3.67Å; F1482-L1726 HydrophobicContact CE2-CD2 3.64Å; F1482-L1726 HydrophobicContact CE2-CG 4.31Å; F1482-L1726 HydrophobicContact CZ-CD1 4.19Å; F1482-I1743 HydrophobicContact CD1-CG2 4.47Å; F1482-I1743 HydrophobicContact CE1-CG2 3.58Å; F1482-I1743 HydrophobicContact CE2-CG2 4.44Å; F1482-I1743 HydrophobicContact CZ-CG2 3.55Å; F1482-F1747 HydrophobicContact CB-CD1 3.53Å; F1482-F1747 HydrophobicContact CB-CD2 4.39Å; F1482-F1747 HydrophobicContact CB-CE1 3.51Å; F1482-F1747 HydrophobicContact CB-CE2 4.37Å; F1482-F1747 HydrophobicContact CB-CG 3.98Å; F1482-F1747 HydrophobicContact CB-CZ 3.95Å; F1482-F1747 HydrophobicContact CD1-CB 3.73Å; F1482-F1747 AromaticContact CD1-CD1 3.43Å; F1482-F1747 HydrophobicContact CD1-CD1 3.43Å; F1482-F1747 VanDerWaalsContact CD1-CD1 3.43Å; F1482-F1747 HydrophobicContact CD1-CE1 4.24Å; F1482-F1747 AromaticContact CD1-CG 3.77Å; F1482-F1747 HydrophobicContact CD1-CG 3.77Å; F1482-F1747 AromaticContact CD2-CD1 3.98Å; F1482-F1747 HydrophobicContact CD2-CD1 3.98Å; F1482-F1747 HydrophobicContact CD2-CE1 4.09Å; F1482-F1747 HydrophobicContact CE1-CB 4.22Å; F1482-F1747 HydrophobicContact CE1-CD1 4.11Å; F1482-F1747 HydrophobicContact CG-CB 4.48Å; F1482-F1747 AromaticContact CG-CD1 3.35Å; F1482-F1747 HydrophobicContact CG-CD1 3.35Å; F1482-F1747 AromaticContact CG-CE1 3.69Å; F1482-F1747 HydrophobicContact CG-CE1 3.69Å; F1482-F1747 HydrophobicContact CG-CG 4.02Å; F1482-H1748 HydrophobicContact CD1-CB 4.07Å; F1482-H1748 HydrophobicContact CE1-CB 4.48Å; F1482-V1765 HydrophobicContact CD2-CG2 4.26Å
1483I97.4Very high90.3Very high3 Ų331 Ų312%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-119.5113.9-174.5-53.7177.6000108.2V1485 L1514 F1747 P1751 K1752 L1757I1483-V1485 HydrophobicContact CG2-CG1 3.95Å; I1483-L1514 WeakPolarHBondContact CA-O 3.49Å; I1483-L1514 HydrophobicContact CD1-CD2 4.13Å; I1483-L1514 HydrophobicContact CG1-CB 4.18Å; I1483-L1514 HydrophobicContact CG1-CD2 4.16Å; I1483-L1514 HydrophobicContact CG2-CB 4.33Å; I1483-L1514 HydrophobicContact CG2-CD2 4.06Å; I1483-L1514 HydrophobicContact CG2-CG 4.13Å; I1483-F1747 PolarHBondContact N-O 2.76Å; I1483-F1747 WeakPolarHBondContact O-CD2 3.27Å; I1483-P1751 HydrophobicContact CB-CB 3.78Å; I1483-P1751 HydrophobicContact CB-CG 4.44Å; I1483-P1751 HydrophobicContact CD1-CB 4.24Å; I1483-P1751 HydrophobicContact CG2-CB 3.82Å; I1483-K1752 HydrophobicContact CD1-CB 3.88Å; I1483-L1757 HydrophobicContact CD1-CD1 4.13Å; I1483-L1757 HydrophobicContact CG2-CD1 3.66Å
1484D97.6Very high90.9Very high0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-98.1112.7170.7-167.3-15.8000109.8H1486 V1487 V1512 L1514 V1515 C1516 T1700 F1747D1484-H1486 VanDerWaalsContact C-N 3.28Å; D1484-H1486 PolarHBondContact O-N 3.11Å; D1484-H1486 PolarHBondContact OD1-N 2.86Å; D1484-H1486 VanDerWaalsContact OD1-N 3.08Å; D1484-V1487 HydrophobicContact CB-CG2 3.82Å; D1484-V1487 VanDerWaalsContact CG-CG2 3.47Å; D1484-V1512 HydrophobicContact CB-CG1 3.74Å; D1484-V1512 HydrophobicContact CB-CG2 4.24Å; D1484-L1514 PolarHBondContact N-O 3.32Å; D1484-V1515 CarbonylContact O-C 3.57Å; D1484-V1515 WeakPolarHBondContact O-CA 3.44Å; D1484-C1516 PolarHBondContact O-N 3.12Å; D1484-T1700 PolarHBondContact OD1-N 3.3Å; D1484-T1700 VanDerWaalsContact OD1-N 3.16Å; D1484-T1700 VanDerWaalsContact OD2-CB 3.26Å; D1484-T1700 WeakPolarHBondContact OD2-CB 3.37Å; D1484-T1700 WeakPolarHBondContact OD2-CG2 3.42Å; D1484-T1700 PolarHBondContact OD2-N 2.96Å; D1484-T1700 PolarHBondContact OD2-OG1 2.83Å; D1484-F1747 HydrophobicContact CB-CE2 4.38Å
1485V96.7Very high91.5Very high0 Ų029.4 Ų29.40%016%0.158CC..EExtended strand (participates in β ladder)trans-86.11.3-173.8-59.20000113.1I1483 C1516 Y1549 E1652 V1697 A1699 P1751 F1755I1483-V1485 HydrophobicContact CG2-CG1 3.95Å; V1485-C1516 WeakPolarHBondContact O-CB 3.47Å; V1485-Y1549 VanDerWaalsContact O-CE2 3.24Å; V1485-Y1549 WeakPolarHBondContact O-CE2 3.43Å; V1485-Y1549 PolarHBondContact O-OH 2.93Å; V1485-E1652 VanDerWaalsContact CG2-OE2 3.25Å; V1485-E1652 WeakPolarHBondContact CG2-OE2 3.18Å; V1485-V1697 HydrophobicContact CG2-CG1 3.58Å; V1485-A1699 HydrophobicContact CG2-CB 3.77Å; V1485-P1751 HydrophobicContact CG1-CB 3.79Å; V1485-F1755 HydrophobicContact CB-CD2 4.23Å; V1485-F1755 HydrophobicContact CB-CE1 4.45Å; V1485-F1755 HydrophobicContact CB-CE2 3.76Å; V1485-F1755 HydrophobicContact CB-CZ 3.87Å; V1485-F1755 HydrophobicContact CG1-CD2 3.61Å; V1485-F1755 HydrophobicContact CG1-CE2 3.57Å; V1485-F1755 HydrophobicContact CG1-CG 4.24Å; V1485-F1755 HydrophobicContact CG1-CZ 4.17Å; V1485-F1755 HydrophobicContact CG2-CE2 3.9Å; V1485-F1755 HydrophobicContact CG2-CZ 4.04Å
1486H96.3Very high92.2Very high2 Ų228.3 Ų28.31%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-143.786.9-176.5-155.7147.3000113.1D1484 H1488 M1518 K1571 H1629 E1652 A1699 D1701 H1702D1484-H1486 VanDerWaalsContact C-N 3.28Å; D1484-H1486 PolarHBondContact O-N 3.11Å; D1484-H1486 PolarHBondContact OD1-N 2.86Å; D1484-H1486 VanDerWaalsContact OD1-N 3.08Å; H1486-H1488 AromaticContact CD2-NE2 3.91Å; H1486-H1488 AromaticContact NE2-NE2 3.69Å; H1486-M1518 HydrophobicContact CB-CE 3.96Å; H1486-M1518 WeakPolarHBondContact CD2-CE 3.37Å; H1486-M1518 VanDerWaalsContact CD2-CG 3.47Å; H1486-M1518 WeakPolarHBondContact CD2-CG 3.49Å; H1486-M1518 WeakPolarHBondContact NE2-CE 3.25Å; H1486-K1571 PolarHBondContact CE1-NZ 3.17Å; H1486-H1629 AromaticContact CE1-CD2 3.63Å; H1486-H1629 AromaticContact CE1-NE2 3.94Å; H1486-E1652 IonicContact CE1-OE1 3.28Å; H1486-E1652 IonicContact CG-OE1 2.83Å; H1486-E1652 IonicContact ND1-OE1 3.48Å; H1486-E1652 PolarHBondContact ND1-OE1 3.01Å; H1486-A1699 HydrophobicContact CB-CB 3.84Å; H1486-D1701 IonicContact CD2-OD1 3.66Å; H1486-D1701 PolarHBondContact CD2-OD1 2.71Å; H1486-D1701 IonicContact CE1-OD1 2.92Å; H1486-D1701 IonicContact NE2-OD1 3.55Å; H1486-D1701 PolarHBondContact NE2-OD1 3.08Å; H1486-D1701 WeakPolarHBondContact O-CA 3.05Å; H1486-D1701 PolarHBondContact O-N 3.01Å; H1486-H1702 PolarHBondContact O-N 3.34Å
1487V96.6Very high92.7Very high0 Ų026.9 Ų26.90%015%0.151CC..EExtended strand (participates in β ladder)trans-130.5128.3-177.8-175.20000111.8D1484 L1489 V1515 C1516 A1517 M1518 H1702 V1722D1484-V1487 HydrophobicContact CB-CG2 3.82Å; D1484-V1487 VanDerWaalsContact CG-CG2 3.47Å; V1487-L1489 HydrophobicContact CG1-CD2 3.82Å; V1487-L1489 HydrophobicContact CG1-CG 4.06Å; V1487-V1515 HydrophobicContact CB-CB 4.29Å; V1487-V1515 HydrophobicContact CG2-CB 3.97Å; V1487-V1515 HydrophobicContact CG2-CG1 3.95Å; V1487-C1516 PolarHBondContact N-O 2.96Å; V1487-A1517 WeakPolarHBondContact O-CA 3.31Å; V1487-M1518 PolarHBondContact O-N 3.21Å; V1487-H1702 HydrophobicContact CG1-CB 4.24Å; V1487-V1722 HydrophobicContact CG2-CG2 4.47Å
1488H94.3Very high93.1Very high10 Ų1024.9 Ų24.95%0.04614%0.138CC..  trans-95.397.9173.8-61.8-79.1000111.8H1486 M1518 N1520 D1701 H1702 P1704H1486-H1488 AromaticContact CD2-NE2 3.91Å; H1486-H1488 AromaticContact NE2-NE2 3.69Å; H1488-M1518 VanDerWaalsContact ND1-CB 3.34Å; H1488-M1518 WeakPolarHBondContact ND1-CB 3.49Å; H1488-N1520 PolarHBondContact CE1-ND2 3.42Å; H1488-N1520 PolarHBondContact CE1-OD1 2.89Å; H1488-N1520 PolarHBondContact ND1-ND2 3.19Å; H1488-N1520 PolarHBondContact ND1-OD1 3.32Å; H1488-D1701 IonicContact CD2-OD1 2.64Å; H1488-D1701 IonicContact NE2-OD1 3.59Å; H1488-D1701 PolarHBondContact NE2-OD1 3.12Å; H1488-H1702 VanDerWaalsContact CB-O 3.25Å; H1488-H1702 WeakPolarHBondContact CB-O 3.42Å; H1488-H1702 PolarHBondContact CD2-O 3.35Å; H1488-H1702 PolarHBondContact N-O 3.47Å; H1488-P1704 VanDerWaalsContact O-CD 3.25Å; H1488-P1704 WeakPolarHBondContact O-CD 3.44Å; H1488-P1704 WeakPolarHBondContact O-CG 3.17Å
1489L93.9Very high93.6Very high2 Ų220.3 Ų20.31%0.0112%0.12CC..  trans-85.2-5.8178.7-62.9174.4000114.4V1487 E1491 E1498 D1499 F1500 T1504 V1515 A1517V1487-L1489 HydrophobicContact CG1-CD2 3.82Å; V1487-L1489 HydrophobicContact CG1-CG 4.06Å; L1489-E1491 PolarHBondContact O-N 2.99Å; L1489-E1498 CarbonylContact O-C 3.58Å; L1489-E1498 VanDerWaalsContact O-C 3.23Å; L1489-D1499 WeakPolarHBondContact O-CA 3.5Å; L1489-F1500 HydrophobicContact CD1-CD1 3.3Å; L1489-F1500 HydrophobicContact CD1-CE1 3.36Å; L1489-F1500 HydrophobicContact CD1-CG 4.07Å; L1489-F1500 HydrophobicContact CD1-CZ 4.17Å; L1489-T1504 HydrophobicContact CD1-CG2 4.24Å; L1489-V1515 HydrophobicContact CD1-CG2 4.23Å; L1489-A1517 HydrophobicContact CD1-CB 3.94Å
1490R92Very high93.7Very high26 Ų2620.1 Ų20.110%0.09812%0.119CC..  trans57.410.2169.5-58.6-60.8-176.7-172.9-3.2117.2P1492 A1494 K1497 E1498 P1704R1490-P1492 CarbonylContact O-C 3.41Å; R1490-A1494 HydrophobicContact CB-CB 4.02Å; R1490-A1494 WeakPolarHBondContact CB-O 3.44Å; R1490-A1494 CarbonylContact O-C 3.51Å; R1490-A1494 WeakPolarHBondContact O-CA 3.22Å; R1490-A1494 PolarHBondContact O-N 3.36Å; R1490-K1497 HydrophobicContact CB-CB 4.42Å; R1490-K1497 HydrophobicContact CG-CB 4.17Å; R1490-E1498 WeakPolarHBondContact CB-O 3.14Å; R1490-P1704 HydrophobicContact CG-CG 4.1Å
1491E92.9Very high93.8Very high35 Ų3519.4 Ų19.416%0.16412%0.116CC..THydrogen-bonded Turntrans-110122.5173.9-178.4168-149.300110.4L1489 T1495 D1499 F1500 F1534 L1537L1489-E1491 PolarHBondContact O-N 2.99Å; E1491-T1495 HydrophobicContact CB-CG2 4Å; E1491-T1495 HydrophobicContact CG-CG2 3.92Å; E1491-D1499 HydrophobicContact CB-CB 4.36Å; E1491-D1499 WeakPolarHBondContact OE2-CB 3.29Å; E1491-F1500 HydrophobicContact CB-CD2 3.89Å; E1491-F1500 HydrophobicContact CB-CE2 4.26Å; E1491-F1500 HydrophobicContact CG-CD2 4.09Å; E1491-F1500 WeakPolarHBondContact O-CE2 3.36Å; E1491-F1500 WeakPolarHBondContact OE2-CD2 3.42Å; E1491-F1500 PolarHBondContact OE2-N 3Å; E1491-F1534 WeakPolarHBondContact O-CD2 3.49Å; E1491-F1534 VanDerWaalsContact O-CE2 3.28Å; E1491-F1534 WeakPolarHBondContact O-CE2 3.26Å; E1491-L1537 HydrophobicContact CG-CB 4.18Å; E1491-L1537 HydrophobicContact CG-CD1 3.99Å; E1491-L1537 HydrophobicContact CG-CD2 4.34Å; E1491-L1537 HydrophobicContact CG-CG 4.39Å
1492P90.9Very high93.9Very high14 Ų1420 Ų209%0.09112%0.12CC..THydrogen-bonded Turncis-79.8160.54.932.4-34.9000114.5R1490 T1521 N1522 L1537R1490-P1492 CarbonylContact O-C 3.41Å; P1492-T1521 WeakPolarHBondContact O-CB 3.39Å; P1492-N1522 CarbonylContact C-O 3.44Å; P1492-N1522 PolarHBondContact O-N 2.97Å; P1492-N1522 VanDerWaalsContact O-N 3.14Å; P1492-L1537 HydrophobicContact CB-CD1 3.81Å; P1492-L1537 HydrophobicContact CG-CD1 4.08Å
1493G88Confident93.8Very high50 Ų5020 Ų2052%0.51512%0.12SC..THydrogen-bonded Turntrans105.9-19.1160.400000117.6N1522G1493-N1522 WeakPolarHBondContact CA-O 3.17Å; G1493-N1522 PolarHBondContact N-O 3.33Å
1494A89.9Confident93.8Very high19 Ų1919.8 Ų19.816%0.15712%0.119CC..  trans-146.647.9177.300000112.3R1490 H1496 K1497 E1498R1490-A1494 HydrophobicContact CB-CB 4.02Å; R1490-A1494 WeakPolarHBondContact CB-O 3.44Å; R1490-A1494 CarbonylContact O-C 3.51Å; R1490-A1494 WeakPolarHBondContact O-CA 3.22Å; R1490-A1494 PolarHBondContact O-N 3.36Å; A1494-H1496 PolarHBondContact O-N 2.8Å; A1494-H1496 VanDerWaalsContact O-N 3.16Å; A1494-K1497 HydrophobicContact CB-CD 4.14Å; A1494-K1497 HydrophobicContact CB-CG 4.29Å; A1494-K1497 VanDerWaalsContact O-CB 3.3Å; A1494-K1497 WeakPolarHBondContact O-CB 3.45Å; A1494-K1497 PolarHBondContact O-N 3.07Å; A1494-E1498 PolarHBondContact O-N 2.86Å
1495T91.5Very high93.7Very high64 Ų6420.1 Ų20.139%0.39312%0.121SC..THydrogen-bonded Turntrans-64.4-17.6-176.155.40000114.7E1491 K1497 E1498 D1499 K1783E1491-T1495 HydrophobicContact CB-CG2 4Å; E1491-T1495 HydrophobicContact CG-CG2 3.92Å; T1495-K1497 VanDerWaalsContact C-N 3.27Å; T1495-E1498 VanDerWaalsContact CA-O 3.25Å; T1495-E1498 WeakPolarHBondContact CA-O 3.44Å; T1495-D1499 HydrophobicContact CG2-CB 4.17Å; T1495-K1783 PolarHBondContact O-NZ 2.89Å
1496H91.4Very high93.7Very high115 Ų11520.1 Ų20.153%0.53212%0.121SC..THydrogen-bonded Turntrans-70.1-25.317269.1-72.4000112.6A1494 E1709A1494-H1496 PolarHBondContact O-N 2.8Å; A1494-H1496 VanDerWaalsContact O-N 3.16Å; H1496-E1709 IonicContact NE2-OE1 2.64Å
1497K91Very high93.7Very high18 Ų1820 Ų208%0.07812%0.121CC..THydrogen-bonded Turntrans-78.9-49.9174-63.7-169.8-174.8-123.90111.1R1490 A1494 T1495 P1704 H1705 E1709 K1783R1490-K1497 HydrophobicContact CB-CB 4.42Å; R1490-K1497 HydrophobicContact CG-CB 4.17Å; A1494-K1497 HydrophobicContact CB-CD 4.14Å; A1494-K1497 HydrophobicContact CB-CG 4.29Å; A1494-K1497 VanDerWaalsContact O-CB 3.3Å; A1494-K1497 WeakPolarHBondContact O-CB 3.45Å; A1494-K1497 PolarHBondContact O-N 3.07Å; T1495-K1497 VanDerWaalsContact C-N 3.27Å; K1497-P1704 WeakPolarHBondContact CB-O 3.45Å; K1497-H1705 PolarHBondContact NZ-ND1 3.16Å; K1497-H1705 VanDerWaalsContact NZ-ND1 3.15Å; K1497-E1709 WeakPolarHBondContact CE-OE1 3.47Å; K1497-E1709 IonicContact NZ-OE1 2.7Å; K1497-E1709 PolarHBondContact NZ-OE1 2.9Å; K1497-E1709 IonicContact NZ-OE2 2.8Å; K1497-E1709 PolarHBondContact NZ-OE2 2.7Å; K1497-K1783 WeakPolarHBondContact O-CB 3.35Å
1498E94.3Very high93.7Very high0 Ų020 Ų200%012%0.121CC..  trans-168.4153.7176-161.872.1-62.800109.1L1489 R1490 A1494 T1495 S1502 G1503 H1702 P1704 S1782 K1783L1489-E1498 CarbonylContact O-C 3.58Å; L1489-E1498 VanDerWaalsContact O-C 3.23Å; R1490-E1498 WeakPolarHBondContact CB-O 3.14Å; A1494-E1498 PolarHBondContact O-N 2.86Å; T1495-E1498 VanDerWaalsContact CA-O 3.25Å; T1495-E1498 WeakPolarHBondContact CA-O 3.44Å; E1498-S1502 VanDerWaalsContact CD-OG 3.29Å; E1498-S1502 WeakPolarHBondContact OE1-CB 3.2Å; E1498-S1502 PolarHBondContact OE1-OG 2.85Å; E1498-G1503 WeakPolarHBondContact OE2-CA 3.23Å; E1498-H1702 IonicContact OE2-CE1 3.96Å; E1498-H1702 IonicContact OE2-NE2 2.71Å; E1498-H1702 PolarHBondContact OE2-NE2 3.01Å; E1498-P1704 HydrophobicContact CB-CB 3.78Å; E1498-P1704 HydrophobicContact CB-CG 3.27Å; E1498-P1704 HydrophobicContact CG-CB 4.21Å; E1498-P1704 HydrophobicContact CG-CG 3.89Å; E1498-S1782 VanDerWaalsContact OE2-CA 3.24Å; E1498-S1782 WeakPolarHBondContact OE2-CA 3.37Å; E1498-S1782 WeakPolarHBondContact OE2-CB 3.47Å; E1498-S1782 PolarHBondContact OE2-OG 3.26Å; E1498-K1783 WeakPolarHBondContact OE1-CB 3.33Å; E1498-K1783 WeakPolarHBondContact OE1-CG 3.4Å; E1498-K1783 PolarHBondContact OE1-N 3.39Å
1499D94.6Very high93.7Very high30 Ų3020.3 Ų20.316%0.1613%0.125CC..  trans-128.6177.1168.362.536000110.6L1489 E1491 T1495 A1501 S1502 G1503 K1783L1489-D1499 WeakPolarHBondContact O-CA 3.5Å; E1491-D1499 HydrophobicContact CB-CB 4.36Å; E1491-D1499 WeakPolarHBondContact OE2-CB 3.29Å; T1495-D1499 HydrophobicContact CG2-CB 4.17Å; D1499-A1501 PolarHBondContact O-N 3.14Å; D1499-A1501 WeakPolarHBondContact OD1-CA 3.46Å; D1499-A1501 WeakPolarHBondContact OD1-CB 3.2Å; D1499-A1501 PolarHBondContact OD1-N 3.39Å; D1499-S1502 PolarHBondContact N-OG 3.02Å; D1499-S1502 VanDerWaalsContact N-OG 3.15Å; D1499-S1502 PolarHBondContact O-N 3.43Å; D1499-S1502 PolarHBondContact OD1-N 2.84Å; D1499-S1502 PolarHBondContact OD1-OG 3.11Å; D1499-S1502 VanDerWaalsContact OD1-OG 3.1Å; D1499-G1503 PolarHBondContact O-N 2.95Å; D1499-K1783 WeakPolarHBondContact OD2-CE 3.42Å; D1499-K1783 IonicContact OD2-NZ 2.71Å; D1499-K1783 PolarHBondContact OD2-NZ 3.01Å
1500F96.1Very high93.7Very high0 Ų020.2 Ų20.20%012%0.124CC..Hα-helixtrans-58.2-34.3178.6-87.1-84.8000112.1L1489 E1491 T1504 A1517 F1534 L1537 A1538 A1542 L1548L1489-F1500 HydrophobicContact CD1-CD1 3.3Å; L1489-F1500 HydrophobicContact CD1-CE1 3.36Å; L1489-F1500 HydrophobicContact CD1-CG 4.07Å; L1489-F1500 HydrophobicContact CD1-CZ 4.17Å; E1491-F1500 HydrophobicContact CB-CD2 3.89Å; E1491-F1500 HydrophobicContact CB-CE2 4.26Å; E1491-F1500 HydrophobicContact CG-CD2 4.09Å; E1491-F1500 WeakPolarHBondContact O-CE2 3.36Å; E1491-F1500 WeakPolarHBondContact OE2-CD2 3.42Å; E1491-F1500 PolarHBondContact OE2-N 3Å; F1500-T1504 VanDerWaalsContact O-CB 3.29Å; F1500-T1504 WeakPolarHBondContact O-CB 3.36Å; F1500-T1504 VanDerWaalsContact O-CG2 3.25Å; F1500-T1504 WeakPolarHBondContact O-CG2 3.5Å; F1500-T1504 PolarHBondContact O-N 3.13Å; F1500-T1504 PolarHBondContact O-OG1 3.44Å; F1500-A1517 HydrophobicContact CE1-CB 4.11Å; F1500-A1517 HydrophobicContact CZ-CB 4.22Å; F1500-F1534 AromaticContact CE2-CD2 3.77Å; F1500-F1534 HydrophobicContact CE2-CD2 3.77Å; F1500-F1534 AromaticContact CE2-CE2 3.58Å; F1500-F1534 HydrophobicContact CE2-CE2 3.58Å; F1500-F1534 AromaticContact CZ-CD2 3.73Å; F1500-F1534 HydrophobicContact CZ-CD2 3.73Å; F1500-F1534 AromaticContact CZ-CE2 3.33Å; F1500-F1534 HydrophobicContact CZ-CE2 3.33Å; F1500-F1534 AromaticContact CZ-CZ 3.95Å; F1500-F1534 HydrophobicContact CZ-CZ 3.95Å; F1500-L1537 HydrophobicContact CD2-CB 4.35Å; F1500-L1537 HydrophobicContact CE2-CB 4.35Å; F1500-A1538 HydrophobicContact CD1-CB 3.71Å; F1500-A1538 HydrophobicContact CD2-CB 4.26Å; F1500-A1538 HydrophobicContact CE1-CB 3.28Å; F1500-A1538 HydrophobicContact CE2-CB 3.88Å; F1500-A1538 HydrophobicContact CG-CB 4.2Å; F1500-A1538 HydrophobicContact CZ-CB 3.38Å; F1500-A1542 HydrophobicContact CD1-CB 4.3Å; F1500-L1548 HydrophobicContact CE1-CD2 4.26Å; F1500-L1548 HydrophobicContact CZ-CD2 4.14Å
1501A95.1Very high93.8Very high18 Ų1819 Ų1915%0.14912%0.12CC..Hα-helixtrans-73-42.9-176.200000113D1499 A1505 G1541 R1543 P1818D1499-A1501 PolarHBondContact O-N 3.14Å; D1499-A1501 WeakPolarHBondContact OD1-CA 3.46Å; D1499-A1501 WeakPolarHBondContact OD1-CB 3.2Å; D1499-A1501 PolarHBondContact OD1-N 3.39Å; A1501-A1505 VanDerWaalsContact O-CB 3.25Å; A1501-A1505 WeakPolarHBondContact O-CB 3.35Å; A1501-A1505 PolarHBondContact O-N 2.99Å; A1501-G1541 WeakPolarHBondContact CA-O 3.24Å; A1501-G1541 WeakPolarHBondContact CB-O 3.31Å; A1501-G1541 PolarHBondContact N-O 2.9Å; A1501-R1543 PolarHBondContact O-NE 3.44Å; A1501-P1818 HydrophobicContact CB-CB 4.03Å; A1501-P1818 HydrophobicContact CB-CG 3.93Å
1502S94.9Very high94Very high13 Ų1317.3 Ų17.39%0.09111%0.112CC..Hα-helixtrans-79.7-41.7179.3560000112.4E1498 D1499 T1504 A1505 A1506 K1783E1498-S1502 VanDerWaalsContact CD-OG 3.29Å; E1498-S1502 WeakPolarHBondContact OE1-CB 3.2Å; E1498-S1502 PolarHBondContact OE1-OG 2.85Å; D1499-S1502 PolarHBondContact N-OG 3.02Å; D1499-S1502 VanDerWaalsContact N-OG 3.15Å; D1499-S1502 PolarHBondContact O-N 3.43Å; D1499-S1502 PolarHBondContact OD1-N 2.84Å; D1499-S1502 PolarHBondContact OD1-OG 3.11Å; D1499-S1502 VanDerWaalsContact OD1-OG 3.1Å; S1502-T1504 PolarHBondContact O-N 3.27Å; S1502-A1505 WeakPolarHBondContact O-CB 3.36Å; S1502-A1505 PolarHBondContact O-N 3.3Å; S1502-A1506 WeakPolarHBondContact O-CB 3.43Å; S1502-A1506 PolarHBondContact O-N 3.41Å; S1502-K1783 WeakPolarHBondContact OG-CE 3.31Å
1503G95.3Very high94.3Very high0 Ų016.6 Ų16.60%011%0.108CC..Hα-helixtrans-70.5-31.6-179.700000113.5E1498 D1499 A1506 A1507E1498-G1503 WeakPolarHBondContact OE2-CA 3.23Å; D1499-G1503 PolarHBondContact O-N 2.95Å; G1503-A1506 WeakPolarHBondContact O-CB 3.42Å; G1503-A1507 PolarHBondContact O-N 3Å
1504T97.4Very high94.7Very high0 Ų014.3 Ų14.30%08%0.083CC..Hα-helixtrans-80.7-23.9171.461.80000113.2L1489 F1500 S1502 A1506 A1507 L1508 V1515 A1542 R1543 C1544L1489-T1504 HydrophobicContact CD1-CG2 4.24Å; F1500-T1504 VanDerWaalsContact O-CB 3.29Å; F1500-T1504 WeakPolarHBondContact O-CB 3.36Å; F1500-T1504 VanDerWaalsContact O-CG2 3.25Å; F1500-T1504 WeakPolarHBondContact O-CG2 3.5Å; F1500-T1504 PolarHBondContact O-N 3.13Å; F1500-T1504 PolarHBondContact O-OG1 3.44Å; S1502-T1504 PolarHBondContact O-N 3.27Å; T1504-A1506 VanDerWaalsContact C-N 3.35Å; T1504-A1507 PolarHBondContact O-N 3.12Å; T1504-L1508 WeakPolarHBondContact O-CG 3.43Å; T1504-L1508 PolarHBondContact O-N 2.95Å; T1504-V1515 HydrophobicContact CG2-CG2 4.01Å; T1504-A1542 HydrophobicContact CG2-CB 4.15Å; T1504-R1543 WeakPolarHBondContact OG1-CB 3.41Å; T1504-R1543 PolarHBondContact OG1-N 3.1Å; T1504-C1544 VanDerWaalsContact CB-SG 3.56Å
1505A95.7Very high95.1Very high6 Ų613.4 Ų13.45%0.058%0.076CC..Hα-helixtrans-63.8-43.216600000110.9A1501 S1502 L1508 A1509 K1781 V1814A1501-A1505 VanDerWaalsContact O-CB 3.25Å; A1501-A1505 WeakPolarHBondContact O-CB 3.35Å; A1501-A1505 PolarHBondContact O-N 2.99Å; S1502-A1505 WeakPolarHBondContact O-CB 3.36Å; S1502-A1505 PolarHBondContact O-N 3.3Å; A1505-L1508 PolarHBondContact O-N 2.68Å; A1505-A1509 PolarHBondContact O-N 3.41Å; A1505-K1781 HydrophobicContact CB-CB 4.03Å; A1505-V1814 HydrophobicContact CB-CG1 4.31Å; A1505-V1814 HydrophobicContact CB-CG2 3.98Å
1506A95.5Very high95.3Very high0 Ų010.3 Ų10.30%06%0.057CC..Hα-helixtrans-60.9-44.1172.800000111.4S1502 G1503 T1504 L1508 A1509 G1510 V1722 E1723 K1781S1502-A1506 WeakPolarHBondContact O-CB 3.43Å; S1502-A1506 PolarHBondContact O-N 3.41Å; G1503-A1506 WeakPolarHBondContact O-CB 3.42Å; T1504-A1506 VanDerWaalsContact C-N 3.35Å; A1506-L1508 PolarHBondContact O-N 2.74Å; A1506-A1509 PolarHBondContact O-N 2.77Å; A1506-G1510 PolarHBondContact O-N 3.24Å; A1506-V1722 HydrophobicContact CB-CG1 3.49Å; A1506-V1722 VanDerWaalsContact CB-CG1 3.49Å; A1506-E1723 VanDerWaalsContact CA-OE1 3.3Å; A1506-E1723 WeakPolarHBondContact CA-OE1 3.48Å; A1506-E1723 HydrophobicContact CB-CG 3.79Å; A1506-E1723 WeakPolarHBondContact CB-OE1 3.45Å; A1506-E1723 WeakPolarHBondContact O-CG 3.44Å; A1506-K1781 HydrophobicContact CB-CB 4.31Å
1507A96.9Very high95.5Very high0 Ų04.9 Ų4.90%03%0.032CC..Hα-helixtrans-56.8-48.5175.100000112.4G1503 T1504 A1509 G1510 G1511 V1512 V1515 V1722G1503-A1507 PolarHBondContact O-N 3Å; T1504-A1507 PolarHBondContact O-N 3.12Å; A1507-A1509 VanDerWaalsContact C-N 3.32Å; A1507-A1509 PolarHBondContact O-N 3.07Å; A1507-G1510 CarbonylContact O-C 3.24Å; A1507-G1510 PolarHBondContact O-N 3.23Å; A1507-G1510 VanDerWaalsContact O-N 3.1Å; A1507-G1511 PolarHBondContact O-N 3.02Å; A1507-V1512 CarbonylContact C-O 3.52Å; A1507-V1512 VanDerWaalsContact C-O 3.28Å; A1507-V1512 HydrophobicContact CB-CB 3.99Å; A1507-V1512 HydrophobicContact CB-CG1 4.2Å; A1507-V1512 WeakPolarHBondContact O-CA 3.4Å; A1507-V1512 WeakPolarHBondContact O-CB 3.42Å; A1507-V1512 PolarHBondContact O-N 2.91Å; A1507-V1515 HydrophobicContact CB-CG1 3.59Å; A1507-V1722 HydrophobicContact CB-CG2 3.91Å
1508L96.7Very high95.7Very high0 Ų04.1 Ų4.10%03%0.028CC..Hα-helixtrans-60.1-41.5176.4-70.3170.8000112.1T1504 A1505 A1506 G1510 G1511 V1512 R1543 C1544 V1801 A1808 F1809 V1814 V1816T1504-L1508 WeakPolarHBondContact O-CG 3.43Å; T1504-L1508 PolarHBondContact O-N 2.95Å; A1505-L1508 PolarHBondContact O-N 2.68Å; A1506-L1508 PolarHBondContact O-N 2.74Å; L1508-G1510 PolarHBondContact O-N 2.66Å; L1508-G1511 PolarHBondContact O-N 3.23Å; L1508-V1512 PolarHBondContact N-O 3.22Å; L1508-R1543 HydrophobicContact CD1-CB 3.92Å; L1508-C1544 HydrophobicContact CD1-CB 4.5Å; L1508-C1544 HydrophobicContact CD2-CB 3.71Å; L1508-C1544 HydrophobicContact CG-CB 3.89Å; L1508-V1801 HydrophobicContact CD2-CB 4.44Å; L1508-V1801 HydrophobicContact CD2-CG1 3.86Å; L1508-V1801 WeakPolarHBondContact O-CG2 3.47Å; L1508-A1808 HydrophobicContact CD1-CB 3.95Å; L1508-A1808 HydrophobicContact CD2-CB 3.76Å; L1508-A1808 HydrophobicContact CG-CB 4.48Å; L1508-F1809 HydrophobicContact CB-CB 4.03Å; L1508-V1814 HydrophobicContact CD1-CG1 3.92Å; L1508-V1816 HydrophobicContact CD1-CG2 3.57Å
1509A93.6Very high95.6Very high16 Ų164.1 Ų4.113%0.1323%0.028CC..Hα-helixtrans-64.2-29.7176.900000113A1505 A1506 A1507 G1511 E1723 K1781 F1809A1505-A1509 PolarHBondContact O-N 3.41Å; A1506-A1509 PolarHBondContact O-N 2.77Å; A1507-A1509 VanDerWaalsContact C-N 3.32Å; A1507-A1509 PolarHBondContact O-N 3.07Å; A1509-G1511 VanDerWaalsContact C-N 3.35Å; A1509-E1723 HydrophobicContact CB-CG 4.07Å; A1509-K1781 HydrophobicContact CB-CG 4.11Å; A1509-F1809 VanDerWaalsContact CA-CE2 3.49Å; A1509-F1809 HydrophobicContact CB-CD2 4.06Å; A1509-F1809 HydrophobicContact CB-CE2 3.48Å; A1509-F1809 VanDerWaalsContact CB-CE2 3.48Å; A1509-F1809 HydrophobicContact CB-CZ 3.91Å
1510G93.9Very high95.4Very high0 Ų03.6 Ų3.60%03%0.026CC..THydrogen-bonded Turntrans-84.12.4172.300000115.6A1506 A1507 L1508 V1512 L1726A1506-G1510 PolarHBondContact O-N 3.24Å; A1507-G1510 CarbonylContact O-C 3.24Å; A1507-G1510 PolarHBondContact O-N 3.23Å; A1507-G1510 VanDerWaalsContact O-N 3.1Å; L1508-G1510 PolarHBondContact O-N 2.66Å; G1510-V1512 VanDerWaalsContact C-N 3.34Å; G1510-L1726 VanDerWaalsContact O-CB 3.22Å; G1510-L1726 WeakPolarHBondContact O-CB 3.24Å
1511G94.9Very high95.1Very high0 Ų04.1 Ų4.10%03%0.029CC..THydrogen-bonded Turntrans80.911-177.100000114.4F1482 A1507 L1508 A1509 V1765F1482-G1511 WeakPolarHBondContact CB-O 3.36Å; F1482-G1511 WeakPolarHBondContact CD2-O 3.26Å; F1482-G1511 PolarHBondContact N-O 3.47Å; A1507-G1511 PolarHBondContact O-N 3.02Å; L1508-G1511 PolarHBondContact O-N 3.23Å; A1509-G1511 VanDerWaalsContact C-N 3.35Å; G1511-V1765 WeakPolarHBondContact O-CG2 3.41Å
1512V97.2Very high94.8Very high0 Ų09 Ų90%05%0.052CC..EExtended strand (participates in β ladder)trans-91.2119.4178.6179.40000109.9F1482 D1484 A1507 L1508 G1510 L1514 V1515 V1722 I1725 F1747F1482-V1512 HydrophobicContact CB-CG2 4.46Å; F1482-V1512 CarbonylContact O-C 3.57Å; F1482-V1512 WeakPolarHBondContact O-CA 3.46Å; D1484-V1512 HydrophobicContact CB-CG1 3.74Å; D1484-V1512 HydrophobicContact CB-CG2 4.24Å; A1507-V1512 CarbonylContact C-O 3.52Å; A1507-V1512 VanDerWaalsContact C-O 3.28Å; A1507-V1512 HydrophobicContact CB-CB 3.99Å; A1507-V1512 HydrophobicContact CB-CG1 4.2Å; A1507-V1512 WeakPolarHBondContact O-CA 3.4Å; A1507-V1512 WeakPolarHBondContact O-CB 3.42Å; A1507-V1512 PolarHBondContact O-N 2.91Å; L1508-V1512 PolarHBondContact N-O 3.22Å; G1510-V1512 VanDerWaalsContact C-N 3.34Å; V1512-L1514 VanDerWaalsContact CG1-O 3.29Å; V1512-L1514 WeakPolarHBondContact CG1-O 3.25Å; V1512-V1515 HydrophobicContact CG1-CG1 3.72Å; V1512-V1722 HydrophobicContact CG2-CG2 4.37Å; V1512-I1725 HydrophobicContact CG2-CG2 4.48Å; V1512-F1747 HydrophobicContact CG2-CE1 4.28Å; V1512-F1747 HydrophobicContact CG2-CE2 4.39Å; V1512-F1747 HydrophobicContact CG2-CZ 3.59Å
1513T96.5Very high94.6Very high0 Ų011.1 Ų11.10%07%0.066CC..EExtended strand (participates in β ladder)trans-101.5-11-178.155.90000113.5G1481 F1482 D1545 Q1760 T1763 V1765 V1801G1481-T1513 WeakPolarHBondContact CA-OG1 3.23Å; F1482-T1513 PolarHBondContact O-N 2.66Å; F1482-T1513 PolarHBondContact O-OG1 3.07Å; T1513-D1545 PolarHBondContact O-N 3.43Å; T1513-Q1760 PolarHBondContact O-NE2 2.82Å; T1513-Q1760 PolarHBondContact OG1-OE1 3.46Å; T1513-T1763 HydrophobicContact CG2-CG2 3.55Å; T1513-V1765 HydrophobicContact CG2-CG2 4.47Å; T1513-V1801 HydrophobicContact CG2-CG1 3.39Å
1514L97.1Very high94.4Very high1 Ų112 Ų121%0.0057%0.072CC..EExtended strand (participates in β ladder)trans-142.2122.5178.1178.459.9000110.1F1482 I1483 D1484 V1512 D1545 L1757 V1824F1482-L1514 PolarHBondContact O-N 2.97Å; I1483-L1514 WeakPolarHBondContact CA-O 3.49Å; I1483-L1514 HydrophobicContact CD1-CD2 4.13Å; I1483-L1514 HydrophobicContact CG1-CB 4.18Å; I1483-L1514 HydrophobicContact CG1-CD2 4.16Å; I1483-L1514 HydrophobicContact CG2-CB 4.33Å; I1483-L1514 HydrophobicContact CG2-CD2 4.06Å; I1483-L1514 HydrophobicContact CG2-CG 4.13Å; D1484-L1514 PolarHBondContact N-O 3.32Å; V1512-L1514 VanDerWaalsContact CG1-O 3.29Å; V1512-L1514 WeakPolarHBondContact CG1-O 3.25Å; L1514-D1545 VanDerWaalsContact CA-O 3.26Å; L1514-D1545 WeakPolarHBondContact CA-O 3.5Å; L1514-D1545 VanDerWaalsContact CD1-C 3.5Å; L1514-D1545 HydrophobicContact CD1-CB 3.78Å; L1514-L1757 HydrophobicContact CD2-CB 4.18Å; L1514-L1757 HydrophobicContact CD2-CD1 3.78Å; L1514-L1757 HydrophobicContact CD2-CD2 4.35Å; L1514-L1757 HydrophobicContact CD2-CG 4.31Å; L1514-V1824 HydrophobicContact CD1-CG1 3.76Å; L1514-V1824 HydrophobicContact CD1-CG2 3.97Å; L1514-V1824 HydrophobicContact CD2-CG2 4.43Å
1515V97Very high94.2Very high0 Ų012 Ų120%07%0.072CC..EExtended strand (participates in β ladder)trans-113.5141.1175.4-62.60000111.8D1484 V1487 L1489 T1504 A1507 V1512 D1545 Y1546 A1547D1484-V1515 CarbonylContact O-C 3.57Å; D1484-V1515 WeakPolarHBondContact O-CA 3.44Å; V1487-V1515 HydrophobicContact CB-CB 4.29Å; V1487-V1515 HydrophobicContact CG2-CB 3.97Å; V1487-V1515 HydrophobicContact CG2-CG1 3.95Å; L1489-V1515 HydrophobicContact CD1-CG2 4.23Å; T1504-V1515 HydrophobicContact CG2-CG2 4.01Å; A1507-V1515 HydrophobicContact CB-CG1 3.59Å; V1512-V1515 HydrophobicContact CG1-CG1 3.72Å; V1515-D1545 PolarHBondContact N-O 3.06Å; V1515-Y1546 CarbonylContact O-C 3.3Å; V1515-Y1546 VanDerWaalsContact O-CA 3.23Å; V1515-Y1546 WeakPolarHBondContact O-CA 3.38Å; V1515-A1547 PolarHBondContact O-N 3.13Å
1516C96.8Very high94Very high0 Ų013 Ų130%08%0.078CC..EExtended strand (participates in β ladder)trans-98107.5167.6-600000110D1484 V1485 V1487 A1547 Y1549D1484-C1516 PolarHBondContact O-N 3.12Å; V1485-C1516 WeakPolarHBondContact O-CB 3.47Å; V1487-C1516 PolarHBondContact N-O 2.96Å; C1516-A1547 CarbonylContact C-O 3.09Å; C1516-A1547 VanDerWaalsContact CA-O 3.28Å; C1516-A1547 WeakPolarHBondContact CA-O 3.49Å; C1516-Y1549 HydrophobicContact CB-CD2 4.14Å; C1516-Y1549 HydrophobicContact CB-CE2 3.43Å; C1516-Y1549 VanDerWaalsContact CB-CE2 3.43Å
1517A95.7Very high93.9Very high0 Ų015.9 Ų15.90%09%0.093CC..EExtended strand (participates in β ladder)trans-78.8125.1-17400000111.6V1487 L1489 F1500 F1534 A1547 L1548 Y1549V1487-A1517 WeakPolarHBondContact O-CA 3.31Å; L1489-A1517 HydrophobicContact CD1-CB 3.94Å; F1500-A1517 HydrophobicContact CE1-CB 4.11Å; F1500-A1517 HydrophobicContact CZ-CB 4.22Å; A1517-F1534 HydrophobicContact CB-CE1 4.18Å; A1517-F1534 HydrophobicContact CB-CE2 4.42Å; A1517-F1534 HydrophobicContact CB-CZ 3.58Å; A1517-A1547 PolarHBondContact N-O 3.22Å; A1517-L1548 HydrophobicContact CB-CD2 3.89Å; A1517-Y1549 WeakPolarHBondContact O-CD2 3.46Å; A1517-Y1549 PolarHBondContact O-N 2.97Å; A1517-Y1549 VanDerWaalsContact O-N 3.12Å
1518M94.4Very high93.5Very high2 Ų222.6 Ų22.61%0.0112%0.119CC..  trans-71.9146.6-176.6-77.5-68.6154.100113.4H1486 V1487 H1488 N1520 Y1549 K1571H1486-M1518 HydrophobicContact CB-CE 3.96Å; H1486-M1518 WeakPolarHBondContact CD2-CE 3.37Å; H1486-M1518 VanDerWaalsContact CD2-CG 3.47Å; H1486-M1518 WeakPolarHBondContact CD2-CG 3.49Å; H1486-M1518 WeakPolarHBondContact NE2-CE 3.25Å; V1487-M1518 PolarHBondContact O-N 3.21Å; H1488-M1518 VanDerWaalsContact ND1-CB 3.34Å; H1488-M1518 WeakPolarHBondContact ND1-CB 3.49Å; M1518-N1520 WeakPolarHBondContact CB-OD1 3.32Å; M1518-Y1549 HydrophobicContact CE-CD2 3.64Å; M1518-Y1549 HydrophobicContact CE-CE2 3.22Å; M1518-Y1549 HydrophobicContact SD-CD2 3.87Å; M1518-Y1549 HydrophobicContact SD-CE2 4.1Å; M1518-K1571 HydrophobicContact CE-CD 4.1Å; M1518-K1571 HydrophobicContact SD-CD 3.79Å; M1518-K1571 HydrophobicContact SD-CG 4.04Å
1519P93.4Very high93.3Very high0 Ų030.4 Ų30.40%016%0.155CC..SBendtrans-89.5-1.7-17035.1-31.3000114.4T1521 S1524 I1525 K1571 L1581P1519-T1521 PolarHBondContact O-N 3.33Å; P1519-S1524 WeakPolarHBondContact O-CA 3.49Å; P1519-I1525 HydrophobicContact CB-CB 3.81Å; P1519-I1525 HydrophobicContact CB-CG1 4.37Å; P1519-I1525 PolarHBondContact O-N 3.07Å; P1519-K1571 HydrophobicContact CG-CB 3.82Å; P1519-K1571 HydrophobicContact CG-CG 4.18Å; P1519-L1581 HydrophobicContact CG-CD1 4.32Å
1520N88.9Confident93.3Very high19 Ų1930.4 Ų30.410%0.10215%0.153CC..  trans-8150.8-179.664.7-23.9000112.5H1488 M1518 L1581H1488-N1520 PolarHBondContact CE1-ND2 3.42Å; H1488-N1520 PolarHBondContact CE1-OD1 2.89Å; H1488-N1520 PolarHBondContact ND1-ND2 3.19Å; H1488-N1520 PolarHBondContact ND1-OD1 3.32Å; M1518-N1520 WeakPolarHBondContact CB-OD1 3.32Å; N1520-L1581 HydrophobicContact CB-CD1 4.14Å
1521T90.9Very high93.2Very high12 Ų1230.4 Ų30.47%0.07415%0.153CC..SBendtrans-86.1-178171.9520000110.9P1492 P1519 P1523 S1524 I1525 F1534P1492-T1521 WeakPolarHBondContact O-CB 3.39Å; P1519-T1521 PolarHBondContact O-N 3.33Å; T1521-P1523 VanDerWaalsContact C-C 3.42Å; T1521-P1523 CarbonylContact C-O 3.47Å; T1521-P1523 WeakPolarHBondContact CB-O 3.21Å; T1521-P1523 CarbonylContact O-C 3.54Å; T1521-P1523 PolarHBondContact OG1-O 3.39Å; T1521-S1524 VanDerWaalsContact O-CA 3.26Å; T1521-S1524 WeakPolarHBondContact O-CA 3.29Å; T1521-S1524 PolarHBondContact O-N 2.85Å; T1521-S1524 VanDerWaalsContact O-N 3.08Å; T1521-S1524 PolarHBondContact O-OG 3.44Å; T1521-I1525 WeakPolarHBondContact OG1-CD1 3.46Å; T1521-I1525 VanDerWaalsContact OG1-CG1 3.31Å; T1521-I1525 WeakPolarHBondContact OG1-CG1 3.35Å; T1521-F1534 HydrophobicContact CG2-CE2 4.22Å
1522N88.5Confident93.1Very high119 Ų11933.5 Ų33.564%0.63617%0.172SC*.SBendtrans-125106.3173.3-176.315.4000110.6P1492 G1493P1492-N1522 CarbonylContact C-O 3.44Å; P1492-N1522 PolarHBondContact O-N 2.97Å; P1492-N1522 VanDerWaalsContact O-N 3.14Å; G1493-N1522 WeakPolarHBondContact CA-O 3.17Å; G1493-N1522 PolarHBondContact N-O 3.33Å
1523P90.6Very high92.9Very high58 Ų5837.7 Ų37.738%0.37719%0.192SC..SBendcis-66.7159.2-0.630.5-36.2000112.1T1521 T1530T1521-P1523 VanDerWaalsContact C-C 3.42Å; T1521-P1523 CarbonylContact C-O 3.47Å; T1521-P1523 WeakPolarHBondContact CB-O 3.21Å; T1521-P1523 CarbonylContact O-C 3.54Å; T1521-P1523 PolarHBondContact OG1-O 3.39Å; P1523-T1530 HydrophobicContact CB-CG2 4.23Å; P1523-T1530 HydrophobicContact CG-CG2 4Å
1524S90.6Very high92.7Very high18 Ų1837.8 Ų37.813%0.12619%0.192CC..  trans-74147175.8-63.30000111.3P1519 T1521 V1526P1519-S1524 WeakPolarHBondContact O-CA 3.49Å; T1521-S1524 VanDerWaalsContact O-CA 3.26Å; T1521-S1524 WeakPolarHBondContact O-CA 3.29Å; T1521-S1524 PolarHBondContact O-N 2.85Å; T1521-S1524 VanDerWaalsContact O-N 3.08Å; T1521-S1524 PolarHBondContact O-OG 3.44Å; S1524-V1526 PolarHBondContact O-N 3.42Å; S1524-V1526 VanDerWaalsContact O-N 3.15Å
1525I93.7Very high92.5Very high0 Ų039.5 Ų39.50%020%0.2CC..SBendtrans-85.988.4-174.6-48-50000110P1519 T1521 F1531 F1534 V1550 G1551P1519-I1525 HydrophobicContact CB-CB 3.81Å; P1519-I1525 HydrophobicContact CB-CG1 4.37Å; P1519-I1525 PolarHBondContact O-N 3.07Å; T1521-I1525 WeakPolarHBondContact OG1-CD1 3.46Å; T1521-I1525 VanDerWaalsContact OG1-CG1 3.31Å; T1521-I1525 WeakPolarHBondContact OG1-CG1 3.35Å; I1525-F1531 HydrophobicContact CG2-CB 3.86Å; I1525-F1531 HydrophobicContact CG2-CD2 3.7Å; I1525-F1531 HydrophobicContact CG2-CG 4.23Å; I1525-F1534 HydrophobicContact CB-CD1 4.34Å; I1525-F1534 HydrophobicContact CD1-CB 3.79Å; I1525-F1534 HydrophobicContact CD1-CD1 4.34Å; I1525-F1534 HydrophobicContact CD1-CD2 4.27Å; I1525-F1534 HydrophobicContact CD1-CG 3.94Å; I1525-F1534 HydrophobicContact CG1-CB 4.1Å; I1525-F1534 HydrophobicContact CG1-CD1 3.71Å; I1525-F1534 HydrophobicContact CG1-CD2 4.24Å; I1525-F1534 HydrophobicContact CG1-CE1 4.05Å; I1525-F1534 HydrophobicContact CG1-CG 3.8Å; I1525-F1534 HydrophobicContact CG1-CZ 4.46Å; I1525-F1534 HydrophobicContact CG2-CB 4.32Å; I1525-F1534 HydrophobicContact CG2-CD1 3.99Å; I1525-F1534 HydrophobicContact CG2-CG 4.48Å; I1525-V1550 WeakPolarHBondContact O-CG2 3.47Å; I1525-G1551 PolarHBondContact O-N 3.29Å
1526V92.5Very high92.3Very high28 Ų2844.6 Ų44.617%0.1722%0.224CC..  trans-125.9-9.4-172.3-66.10000114.1S1524 T1530 N1556 L1581S1524-V1526 PolarHBondContact O-N 3.42Å; S1524-V1526 VanDerWaalsContact O-N 3.15Å; V1526-T1530 PolarHBondContact N-OG1 3.38Å; V1526-N1556 PolarHBondContact O-ND2 2.97Å; V1526-L1581 HydrophobicContact CG1-CD2 3.32Å
1527D91.4Very high92.3Very high61 Ų6146.8 Ų46.833%0.32624%0.235SC..SBendtrans-139.1176.1-177.559.240.7000110.9E1529 T1530 F1531D1527-E1529 VanDerWaalsContact C-N 3.32Å; D1527-E1529 PolarHBondContact O-N 2.92Å; D1527-E1529 PolarHBondContact OD1-N 3.34Å; D1527-E1529 VanDerWaalsContact OD1-N 3.14Å; D1527-T1530 PolarHBondContact N-OG1 3.08Å; D1527-T1530 PolarHBondContact O-OG1 3.28Å; D1527-T1530 WeakPolarHBondContact OD1-CB 3.38Å; D1527-T1530 WeakPolarHBondContact OD1-CG2 3.36Å; D1527-T1530 PolarHBondContact OD1-N 3.23Å; D1527-T1530 PolarHBondContact OD1-OG1 2.72Å; D1527-F1531 WeakPolarHBondContact O-CB 3.1Å; D1527-F1531 PolarHBondContact O-N 2.91Å
1528R90.2Very high92.2Very high141 Ų14146.8 Ų46.853%0.53224%0.235SC..Hα-helixtrans-65.1-35.4-177.8-179.9174.1-69.1177.15.2112.7T1532 E1562 L1563R1528-T1532 WeakPolarHBondContact O-CB 3.24Å; R1528-T1532 PolarHBondContact O-N 3.15Å; R1528-T1532 PolarHBondContact O-OG1 3.44Å; R1528-E1562 IonicContact CZ-OE2 3.51Å; R1528-E1562 IonicContact NH2-OE2 2.71Å; R1528-E1562 PolarHBondContact NH2-OE2 3.43Å; R1528-L1563 HydrophobicContact CB-CD2 4.14Å; R1528-L1563 HydrophobicContact CG-CD2 4.26Å
1529E91.7Very high92.1Very high164 Ų16452.4 Ų52.477%0.76626%0.26SS*.Hα-helixtrans-67.6-53.7-176.7-174.8175.7177.400110.4D1527 F1531 T1532 Q1533D1527-E1529 VanDerWaalsContact C-N 3.32Å; D1527-E1529 PolarHBondContact O-N 2.92Å; D1527-E1529 PolarHBondContact OD1-N 3.34Å; D1527-E1529 VanDerWaalsContact OD1-N 3.14Å; E1529-F1531 VanDerWaalsContact C-N 3.33Å; E1529-F1531 PolarHBondContact O-N 3.1Å; E1529-T1532 PolarHBondContact O-N 2.96Å; E1529-Q1533 PolarHBondContact O-N 3.46Å
1530T92.8Very high92.1Very high15 Ų1555.7 Ų55.79%0.09229%0.287CS..Hα-helixtrans-61.3-40175.154.40000111.7P1523 V1526 D1527 T1532 Q1533 F1534P1523-T1530 HydrophobicContact CB-CG2 4.23Å; P1523-T1530 HydrophobicContact CG-CG2 4Å; V1526-T1530 PolarHBondContact N-OG1 3.38Å; D1527-T1530 PolarHBondContact N-OG1 3.08Å; D1527-T1530 PolarHBondContact O-OG1 3.28Å; D1527-T1530 WeakPolarHBondContact OD1-CB 3.38Å; D1527-T1530 WeakPolarHBondContact OD1-CG2 3.36Å; D1527-T1530 PolarHBondContact OD1-N 3.23Å; D1527-T1530 PolarHBondContact OD1-OG1 2.72Å; T1530-T1532 PolarHBondContact O-N 3.38Å; T1530-Q1533 PolarHBondContact O-N 2.79Å; T1530-F1534 WeakPolarHBondContact O-CB 3.47Å; T1530-F1534 PolarHBondContact O-N 3.29Å
1531F93.2Very high92.4Very high1 Ų155.1 Ų55.10%0.00429%0.286CS..Hα-helixtrans-65.1-38.7176.4-169.1-89.5000112.7I1525 D1527 E1529 F1534 Q1535 L1548 V1550 L1563 H1566 A1567I1525-F1531 HydrophobicContact CG2-CB 3.86Å; I1525-F1531 HydrophobicContact CG2-CD2 3.7Å; I1525-F1531 HydrophobicContact CG2-CG 4.23Å; D1527-F1531 WeakPolarHBondContact O-CB 3.1Å; D1527-F1531 PolarHBondContact O-N 2.91Å; E1529-F1531 VanDerWaalsContact C-N 3.33Å; E1529-F1531 PolarHBondContact O-N 3.1Å; F1531-F1534 WeakPolarHBondContact O-CB 3.37Å; F1531-F1534 PolarHBondContact O-N 3.19Å; F1531-Q1535 HydrophobicContact CD1-CG 4.08Å; F1531-Q1535 VanDerWaalsContact CE1-CD 3.4Å; F1531-Q1535 HydrophobicContact CE1-CG 3.82Å; F1531-Q1535 HydrophobicContact CZ-CG 4.5Å; F1531-Q1535 WeakPolarHBondContact O-CG 3.44Å; F1531-Q1535 PolarHBondContact O-N 3.34Å; F1531-L1548 HydrophobicContact CE2-CB 3.88Å; F1531-L1548 HydrophobicContact CZ-CB 4.03Å; F1531-L1548 HydrophobicContact CZ-CD1 4.42Å; F1531-V1550 HydrophobicContact CD2-CB 4.22Å; F1531-V1550 HydrophobicContact CE2-CB 4.42Å; F1531-L1563 HydrophobicContact CB-CD1 4.04Å; F1531-L1563 HydrophobicContact CB-CD2 4.39Å; F1531-L1563 HydrophobicContact CD1-CD2 4.12Å; F1531-L1563 HydrophobicContact CG-CD1 4.26Å; F1531-L1563 HydrophobicContact CG-CD2 4.3Å; F1531-H1566 HydrophobicContact CE1-CB 3.64Å; F1531-H1566 HydrophobicContact CZ-CB 4.01Å; F1531-A1567 HydrophobicContact CE2-CB 3.96Å; F1531-A1567 HydrophobicContact CZ-CB 4.14Å
1532T92Very high92.7Very high64 Ų6454.6 Ų54.639%0.39328%0.282SS..Hα-helixtrans-66.3-43.2175.8-55.70000110.7R1528 E1529 T1530 F1534 Q1535 E1536R1528-T1532 WeakPolarHBondContact O-CB 3.24Å; R1528-T1532 PolarHBondContact O-N 3.15Å; R1528-T1532 PolarHBondContact O-OG1 3.44Å; E1529-T1532 PolarHBondContact O-N 2.96Å; T1530-T1532 PolarHBondContact O-N 3.38Å; T1532-F1534 VanDerWaalsContact C-N 3.3Å; T1532-F1534 PolarHBondContact O-N 2.84Å; T1532-Q1535 WeakPolarHBondContact O-CB 3.34Å; T1532-Q1535 PolarHBondContact O-N 3.3Å; T1532-E1536 PolarHBondContact O-N 2.85Å
1533Q93Very high93.1Very high89 Ų8951.2 Ų51.242%0.41626%0.261SS..Hα-helixtrans-58.2-44.6173.2-174.6-175.121.800111.3E1529 T1530 Q1535 E1536 L1537E1529-Q1533 PolarHBondContact O-N 3.46Å; T1530-Q1533 PolarHBondContact O-N 2.79Å; Q1533-Q1535 VanDerWaalsContact C-N 3.32Å; Q1533-Q1535 PolarHBondContact O-N 2.84Å; Q1533-E1536 PolarHBondContact O-N 2.96Å; Q1533-L1537 HydrophobicContact CG-CD1 3.95Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.36Å; Q1533-L1537 PolarHBondContact O-N 3.12Å
1534F93.5Very high93.3Very high2 Ų248.5 Ų48.51%0.00924%0.243CC..Hα-helixtrans-61.2-40.4177.7-164.8-146000111.9E1491 F1500 A1517 T1521 I1525 T1530 F1531 T1532 A1538 L1548E1491-F1534 WeakPolarHBondContact O-CD2 3.49Å; E1491-F1534 VanDerWaalsContact O-CE2 3.28Å; E1491-F1534 WeakPolarHBondContact O-CE2 3.26Å; F1500-F1534 AromaticContact CE2-CD2 3.77Å; F1500-F1534 HydrophobicContact CE2-CD2 3.77Å; F1500-F1534 AromaticContact CE2-CE2 3.58Å; F1500-F1534 HydrophobicContact CE2-CE2 3.58Å; F1500-F1534 AromaticContact CZ-CD2 3.73Å; F1500-F1534 HydrophobicContact CZ-CD2 3.73Å; F1500-F1534 AromaticContact CZ-CE2 3.33Å; F1500-F1534 HydrophobicContact CZ-CE2 3.33Å; F1500-F1534 AromaticContact CZ-CZ 3.95Å; F1500-F1534 HydrophobicContact CZ-CZ 3.95Å; A1517-F1534 HydrophobicContact CB-CE1 4.18Å; A1517-F1534 HydrophobicContact CB-CE2 4.42Å; A1517-F1534 HydrophobicContact CB-CZ 3.58Å; T1521-F1534 HydrophobicContact CG2-CE2 4.22Å; I1525-F1534 HydrophobicContact CB-CD1 4.34Å; I1525-F1534 HydrophobicContact CD1-CB 3.79Å; I1525-F1534 HydrophobicContact CD1-CD1 4.34Å; I1525-F1534 HydrophobicContact CD1-CD2 4.27Å; I1525-F1534 HydrophobicContact CD1-CG 3.94Å; I1525-F1534 HydrophobicContact CG1-CB 4.1Å; I1525-F1534 HydrophobicContact CG1-CD1 3.71Å; I1525-F1534 HydrophobicContact CG1-CD2 4.24Å; I1525-F1534 HydrophobicContact CG1-CE1 4.05Å; I1525-F1534 HydrophobicContact CG1-CG 3.8Å; I1525-F1534 HydrophobicContact CG1-CZ 4.46Å; I1525-F1534 HydrophobicContact CG2-CB 4.32Å; I1525-F1534 HydrophobicContact CG2-CD1 3.99Å; I1525-F1534 HydrophobicContact CG2-CG 4.48Å; T1530-F1534 WeakPolarHBondContact O-CB 3.47Å; T1530-F1534 PolarHBondContact O-N 3.29Å; F1531-F1534 WeakPolarHBondContact O-CB 3.37Å; F1531-F1534 PolarHBondContact O-N 3.19Å; T1532-F1534 VanDerWaalsContact C-N 3.3Å; T1532-F1534 PolarHBondContact O-N 2.84Å; F1534-A1538 VanDerWaalsContact O-CB 3.22Å; F1534-A1538 WeakPolarHBondContact O-CB 3.37Å; F1534-A1538 PolarHBondContact O-N 3.46Å; F1534-L1548 HydrophobicContact CD1-CB 3.9Å; F1534-L1548 HydrophobicContact CD1-CD1 3.85Å; F1534-L1548 HydrophobicContact CD1-CD2 3.85Å; F1534-L1548 HydrophobicContact CD1-CG 4.07Å; F1534-L1548 HydrophobicContact CE1-CB 3.9Å; F1534-L1548 HydrophobicContact CE1-CD1 4.46Å; F1534-L1548 HydrophobicContact CE1-CD2 3.65Å; F1534-L1548 HydrophobicContact CE1-CG 4.19Å; F1534-L1548 HydrophobicContact CG-CD1 4.28Å; F1534-L1548 HydrophobicContact CG-CD2 4.44Å; F1534-L1548 HydrophobicContact CZ-CD2 4.07Å
1535Q92.5Very high93.5Very high37 Ų3747.9 Ų47.917%0.17324%0.238CC..Hα-helixtrans-62.9-44.8175.1-77.6-179.4-54.800113.2F1531 T1532 Q1533 K1539 L1548F1531-Q1535 HydrophobicContact CD1-CG 4.08Å; F1531-Q1535 VanDerWaalsContact CE1-CD 3.4Å; F1531-Q1535 HydrophobicContact CE1-CG 3.82Å; F1531-Q1535 HydrophobicContact CZ-CG 4.5Å; F1531-Q1535 WeakPolarHBondContact O-CG 3.44Å; F1531-Q1535 PolarHBondContact O-N 3.34Å; T1532-Q1535 WeakPolarHBondContact O-CB 3.34Å; T1532-Q1535 PolarHBondContact O-N 3.3Å; Q1533-Q1535 VanDerWaalsContact C-N 3.32Å; Q1533-Q1535 PolarHBondContact O-N 2.84Å; Q1535-K1539 WeakPolarHBondContact O-CB 3.42Å; Q1535-K1539 PolarHBondContact O-N 2.75Å; Q1535-L1548 HydrophobicContact CB-CD1 4.19Å; Q1535-L1548 HydrophobicContact CG-CD1 3.4Å; Q1535-L1548 VanDerWaalsContact CG-CD1 3.4Å
1536E93.3Very high93.6Very high107 Ų10748.2 Ų48.250%0.524%0.24SC..Hα-helixtrans-69-40.1-179.6-69.4-58.2140.400112T1532 Q1533 K1539 A1540T1532-E1536 PolarHBondContact O-N 2.85Å; Q1533-E1536 PolarHBondContact O-N 2.96Å; E1536-K1539 PolarHBondContact O-N 2.89Å; E1536-K1539 IonicContact OE2-NZ 3.62Å; E1536-A1540 WeakPolarHBondContact O-CB 3.35Å; E1536-A1540 PolarHBondContact O-N 2.79Å
1537L95.3Very high93.7Very high45 Ų4546.9 Ų46.924%0.23623%0.232CC..Hα-helixtrans-63.6-45.9174.3-69.1167.7000111.4E1491 P1492 F1500 Q1533 K1539 A1540 G1541E1491-L1537 HydrophobicContact CG-CB 4.18Å; E1491-L1537 HydrophobicContact CG-CD1 3.99Å; E1491-L1537 HydrophobicContact CG-CD2 4.34Å; E1491-L1537 HydrophobicContact CG-CG 4.39Å; P1492-L1537 HydrophobicContact CB-CD1 3.81Å; P1492-L1537 HydrophobicContact CG-CD1 4.08Å; F1500-L1537 HydrophobicContact CD2-CB 4.35Å; F1500-L1537 HydrophobicContact CE2-CB 4.35Å; Q1533-L1537 HydrophobicContact CG-CD1 3.95Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.36Å; Q1533-L1537 PolarHBondContact O-N 3.12Å; L1537-K1539 VanDerWaalsContact C-N 3.31Å; L1537-K1539 PolarHBondContact O-N 3.12Å; L1537-A1540 PolarHBondContact O-N 3.24Å; L1537-G1541 PolarHBondContact O-N 3.21Å
1538A94Very high93.9Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-60-42.5175.900000112.1F1500 F1534 A1540 G1541 A1542 Y1546 L1548F1500-A1538 HydrophobicContact CD1-CB 3.71Å; F1500-A1538 HydrophobicContact CD2-CB 4.26Å; F1500-A1538 HydrophobicContact CE1-CB 3.28Å; F1500-A1538 HydrophobicContact CE2-CB 3.88Å; F1500-A1538 HydrophobicContact CG-CB 4.2Å; F1500-A1538 HydrophobicContact CZ-CB 3.38Å; F1534-A1538 VanDerWaalsContact O-CB 3.22Å; F1534-A1538 WeakPolarHBondContact O-CB 3.37Å; F1534-A1538 PolarHBondContact O-N 3.46Å; A1538-A1540 VanDerWaalsContact C-N 3.3Å; A1538-A1540 PolarHBondContact O-N 2.91Å; A1538-G1541 PolarHBondContact O-N 3.48Å; A1538-A1542 WeakPolarHBondContact O-CB 3.2Å; A1538-A1542 PolarHBondContact O-N 3.16Å; A1538-Y1546 HydrophobicContact CB-CD1 4.49Å; A1538-Y1546 HydrophobicContact CB-CD2 3.72Å; A1538-Y1546 HydrophobicContact CB-CE1 4.08Å; A1538-Y1546 HydrophobicContact CB-CE2 3.21Å; A1538-Y1546 HydrophobicContact CB-CG 4.32Å; A1538-Y1546 VanDerWaalsContact CB-CZ 3.41Å; A1538-L1548 HydrophobicContact CB-CD2 4.2Å
1539K92.9Very high94.2Very high121 Ų12137.3 Ų37.353%0.52619%0.191SC..Hα-helixtrans-65.5-33.6179.2-179.2-177.3171.3-165.50112.3Q1535 E1536 L1537 Y1546 G1819Q1535-K1539 WeakPolarHBondContact O-CB 3.42Å; Q1535-K1539 PolarHBondContact O-N 2.75Å; E1536-K1539 PolarHBondContact O-N 2.89Å; E1536-K1539 IonicContact OE2-NZ 3.62Å; L1537-K1539 VanDerWaalsContact C-N 3.31Å; L1537-K1539 PolarHBondContact O-N 3.12Å; K1539-Y1546 WeakPolarHBondContact CA-OH 3.45Å; K1539-Y1546 WeakPolarHBondContact CB-OH 3.48Å; K1539-Y1546 PolarHBondContact N-OH 2.77Å; K1539-Y1546 VanDerWaalsContact N-OH 3.08Å; K1539-G1819 VanDerWaalsContact O-CA 3.29Å; K1539-G1819 WeakPolarHBondContact O-CA 3.4Å
1540A93.2Very high94.3Very high68 Ų6829.5 Ų29.556%0.56215%0.154SC*.Hα-helixtrans-79.5-36.3177.300000112.8E1536 L1537 A1538 P1818 G1819E1536-A1540 WeakPolarHBondContact O-CB 3.35Å; E1536-A1540 PolarHBondContact O-N 2.79Å; L1537-A1540 PolarHBondContact O-N 3.24Å; A1538-A1540 VanDerWaalsContact C-N 3.3Å; A1538-A1540 PolarHBondContact O-N 2.91Å; A1540-P1818 CarbonylContact O-C 3.35Å; A1540-G1819 WeakPolarHBondContact O-CA 3.41Å; A1540-G1819 PolarHBondContact O-N 2.92Å; A1540-G1819 VanDerWaalsContact O-N 3.12Å
1541G94.4Very high94.3Very high8 Ų828.8 Ų28.88%0.08215%0.15CC..Hα-helixtrans-98.7-34.2-170.800000115.4A1501 L1537 A1538 P1818A1501-G1541 WeakPolarHBondContact CA-O 3.24Å; A1501-G1541 WeakPolarHBondContact CB-O 3.31Å; A1501-G1541 PolarHBondContact N-O 2.9Å; L1537-G1541 PolarHBondContact O-N 3.21Å; A1538-G1541 PolarHBondContact O-N 3.48Å; G1541-P1818 WeakPolarHBondContact O-CA 3.47Å; G1541-P1818 WeakPolarHBondContact O-CB 3.06Å
1542A96.9Very high94.3Very high0 Ų028.7 Ų28.70%015%0.15CC..  trans-66.4139.1-166.400000112.8F1500 T1504 A1538 Y1546 G1819 F1820 G1821F1500-A1542 HydrophobicContact CD1-CB 4.3Å; T1504-A1542 HydrophobicContact CG2-CB 4.15Å; A1538-A1542 WeakPolarHBondContact O-CB 3.2Å; A1538-A1542 PolarHBondContact O-N 3.16Å; A1542-Y1546 HydrophobicContact CB-CD1 3.36Å; A1542-Y1546 HydrophobicContact CB-CE1 3.61Å; A1542-Y1546 HydrophobicContact CB-CG 4.31Å; A1542-G1819 CarbonylContact O-C 3.57Å; A1542-G1819 WeakPolarHBondContact O-CA 2.66Å; A1542-G1819 PolarHBondContact O-N 3.23Å; A1542-F1820 PolarHBondContact O-N 3.03Å; A1542-F1820 VanDerWaalsContact O-N 3.11Å; A1542-G1821 PolarHBondContact O-N 3.2Å
1543R96.5Very high94.3Very high49 Ų4926.6 Ų26.619%0.18514%0.137CC..SBendtrans-106.1-31.9177.2-62.9-170.6-171.5-135.37112.7A1501 T1504 L1508 V1816A1501-R1543 PolarHBondContact O-NE 3.44Å; T1504-R1543 WeakPolarHBondContact OG1-CB 3.41Å; T1504-R1543 PolarHBondContact OG1-N 3.1Å; L1508-R1543 HydrophobicContact CD1-CB 3.92Å; R1543-V1816 HydrophobicContact CB-CG2 3.95Å; R1543-V1816 PolarHBondContact NH1-O 3.45Å
1544C95.6Very high94Very high0 Ų024.8 Ų24.80%013%0.131CC..SBendtrans-103.2168.1166.271.20000111T1504 L1508 L1803 G1821T1504-C1544 VanDerWaalsContact CB-SG 3.56Å; L1508-C1544 HydrophobicContact CD1-CB 4.5Å; L1508-C1544 HydrophobicContact CD2-CB 3.71Å; L1508-C1544 HydrophobicContact CG-CB 3.89Å; C1544-L1803 HydrophobicContact CB-CD2 4.3Å; C1544-G1821 WeakPolarHBondContact O-CA 3.48Å
1545D95.5Very high93.7Very high6 Ų630.9 Ų30.93%0.03216%0.163CC..EExtended strand (participates in β ladder)trans-65.7155.4176.8-72.1-22.6000111T1513 L1514 V1515 Q1760 R1804 Q1822 V1824T1513-D1545 PolarHBondContact O-N 3.43Å; L1514-D1545 VanDerWaalsContact CA-O 3.26Å; L1514-D1545 WeakPolarHBondContact CA-O 3.5Å; L1514-D1545 VanDerWaalsContact CD1-C 3.5Å; L1514-D1545 HydrophobicContact CD1-CB 3.78Å; V1515-D1545 PolarHBondContact N-O 3.06Å; D1545-Q1760 PolarHBondContact OD2-NE2 3.42Å; D1545-R1804 IonicContact OD1-CZ 2.68Å; D1545-R1804 IonicContact OD1-NH1 3.89Å; D1545-R1804 PolarHBondContact OD1-NH1 2.86Å; D1545-R1804 IonicContact OD2-NH1 3.25Å; D1545-R1804 PolarHBondContact OD2-NH1 2.88Å; D1545-Q1822 WeakPolarHBondContact CA-O 3.46Å; D1545-Q1822 WeakPolarHBondContact OD1-CB 3.47Å; D1545-Q1822 PolarHBondContact OD1-N 2.85Å; D1545-V1824 HydrophobicContact CB-CG1 3.91Å
1546Y95.6Very high93.7Very high7 Ų729.9 Ų29.93%0.02716%0.159CC..EExtended strand (participates in β ladder)trans-142.8155.2-175.762.6-87.7000111.8V1515 A1538 K1539 A1542 L1548 Q1822 N1823 V1824V1515-Y1546 CarbonylContact O-C 3.3Å; V1515-Y1546 VanDerWaalsContact O-CA 3.23Å; V1515-Y1546 WeakPolarHBondContact O-CA 3.38Å; A1538-Y1546 HydrophobicContact CB-CD1 4.49Å; A1538-Y1546 HydrophobicContact CB-CD2 3.72Å; A1538-Y1546 HydrophobicContact CB-CE1 4.08Å; A1538-Y1546 HydrophobicContact CB-CE2 3.21Å; A1538-Y1546 HydrophobicContact CB-CG 4.32Å; A1538-Y1546 VanDerWaalsContact CB-CZ 3.41Å; K1539-Y1546 WeakPolarHBondContact CA-OH 3.45Å; K1539-Y1546 WeakPolarHBondContact CB-OH 3.48Å; K1539-Y1546 PolarHBondContact N-OH 2.77Å; K1539-Y1546 VanDerWaalsContact N-OH 3.08Å; A1542-Y1546 HydrophobicContact CB-CD1 3.36Å; A1542-Y1546 HydrophobicContact CB-CE1 3.61Å; A1542-Y1546 HydrophobicContact CB-CG 4.31Å; Y1546-L1548 HydrophobicContact CD2-CD2 3.6Å; Y1546-L1548 HydrophobicContact CD2-CG 3.98Å; Y1546-L1548 HydrophobicContact CE2-CD1 4.26Å; Y1546-L1548 HydrophobicContact CE2-CD2 4.06Å; Y1546-L1548 HydrophobicContact CE2-CG 4.19Å; Y1546-Q1822 PolarHBondContact N-O 2.63Å; Y1546-N1823 HydrophobicContact CD2-CB 4.26Å; Y1546-N1823 HydrophobicContact CE2-CB 3.57Å; Y1546-N1823 WeakPolarHBondContact O-CA 3.47Å; Y1546-V1824 PolarHBondContact O-N 2.81Å; Y1546-V1824 VanDerWaalsContact O-N 3.11Å
1547A95.3Very high93.5Very high0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-130.4150.8166.300000108.3V1515 C1516 A1517 C1568 L1757 V1824V1515-A1547 PolarHBondContact O-N 3.13Å; C1516-A1547 CarbonylContact C-O 3.09Å; C1516-A1547 VanDerWaalsContact CA-O 3.28Å; C1516-A1547 WeakPolarHBondContact CA-O 3.49Å; A1517-A1547 PolarHBondContact N-O 3.22Å; A1547-C1568 HydrophobicContact CB-CB 3.61Å; A1547-L1757 HydrophobicContact CB-CD2 4.15Å; A1547-V1824 HydrophobicContact CB-CG2 3.87Å
1548L95.3Very high93.1Very high0 Ų028.1 Ų28.10%016%0.156CC..EExtended strand (participates in β ladder)trans-116.5130.9-170.2-55.1179.2000110.4F1500 A1517 F1531 F1534 Q1535 A1538 Y1546 A1567 C1568F1500-L1548 HydrophobicContact CE1-CD2 4.26Å; F1500-L1548 HydrophobicContact CZ-CD2 4.14Å; A1517-L1548 HydrophobicContact CB-CD2 3.89Å; F1531-L1548 HydrophobicContact CE2-CB 3.88Å; F1531-L1548 HydrophobicContact CZ-CB 4.03Å; F1531-L1548 HydrophobicContact CZ-CD1 4.42Å; F1534-L1548 HydrophobicContact CD1-CB 3.9Å; F1534-L1548 HydrophobicContact CD1-CD1 3.85Å; F1534-L1548 HydrophobicContact CD1-CD2 3.85Å; F1534-L1548 HydrophobicContact CD1-CG 4.07Å; F1534-L1548 HydrophobicContact CE1-CB 3.9Å; F1534-L1548 HydrophobicContact CE1-CD1 4.46Å; F1534-L1548 HydrophobicContact CE1-CD2 3.65Å; F1534-L1548 HydrophobicContact CE1-CG 4.19Å; F1534-L1548 HydrophobicContact CG-CD1 4.28Å; F1534-L1548 HydrophobicContact CG-CD2 4.44Å; F1534-L1548 HydrophobicContact CZ-CD2 4.07Å; Q1535-L1548 HydrophobicContact CB-CD1 4.19Å; Q1535-L1548 HydrophobicContact CG-CD1 3.4Å; Q1535-L1548 VanDerWaalsContact CG-CD1 3.4Å; A1538-L1548 HydrophobicContact CB-CD2 4.2Å; Y1546-L1548 HydrophobicContact CD2-CD2 3.6Å; Y1546-L1548 HydrophobicContact CD2-CG 3.98Å; Y1546-L1548 HydrophobicContact CE2-CD1 4.26Å; Y1546-L1548 HydrophobicContact CE2-CD2 4.06Å; Y1546-L1548 HydrophobicContact CE2-CG 4.19Å; L1548-A1567 CarbonylContact O-C 3.28Å; L1548-A1567 WeakPolarHBondContact O-CA 3.31Å; L1548-C1568 PolarHBondContact O-N 2.82Å; L1548-C1568 PolarHBondContact O-SG 3.3Å; L1548-C1568 VanDerWaalsContact O-SG 3.4Å
1549Y95.3Very high92.8Very high0 Ų034.8 Ų34.80%019%0.187CC..  trans-78.5155.7167.9-76-72.2000111.1V1485 C1516 A1517 M1518 C1568 G1569 K1571 V1603 F1755V1485-Y1549 VanDerWaalsContact O-CE2 3.24Å; V1485-Y1549 WeakPolarHBondContact O-CE2 3.43Å; V1485-Y1549 PolarHBondContact O-OH 2.93Å; C1516-Y1549 HydrophobicContact CB-CD2 4.14Å; C1516-Y1549 HydrophobicContact CB-CE2 3.43Å; C1516-Y1549 VanDerWaalsContact CB-CE2 3.43Å; A1517-Y1549 WeakPolarHBondContact O-CD2 3.46Å; A1517-Y1549 PolarHBondContact O-N 2.97Å; A1517-Y1549 VanDerWaalsContact O-N 3.12Å; M1518-Y1549 HydrophobicContact CE-CD2 3.64Å; M1518-Y1549 HydrophobicContact CE-CE2 3.22Å; M1518-Y1549 HydrophobicContact SD-CD2 3.87Å; M1518-Y1549 HydrophobicContact SD-CE2 4.1Å; Y1549-C1568 VanDerWaalsContact CD1-SG 3.54Å; Y1549-C1568 VanDerWaalsContact CE1-SG 3.54Å; Y1549-G1569 WeakPolarHBondContact CD1-O 3.48Å; Y1549-K1571 HydrophobicContact CD1-CB 4.25Å; Y1549-K1571 HydrophobicContact CG-CB 4.39Å; Y1549-V1603 HydrophobicContact CE1-CB 4.19Å; Y1549-V1603 HydrophobicContact CE1-CG2 3.62Å; Y1549-F1755 HydrophobicContact CE1-CE1 4.2Å; Y1549-F1755 AromaticContact CZ-CE1 3.98Å; Y1549-F1755 WeakPolarHBondContact OH-CE1 3.13Å
1550V94.5Very high92.7Very high0 Ų029.1 Ų29.10%016%0.163CC..EExtended strand (participates in β ladder)trans-113.4137.815965.90000108.6I1525 F1531 V1560 L1563 A1567 G1569 L1570 K1571 W1596I1525-V1550 WeakPolarHBondContact O-CG2 3.47Å; F1531-V1550 HydrophobicContact CD2-CB 4.22Å; F1531-V1550 HydrophobicContact CE2-CB 4.42Å; V1550-V1560 HydrophobicContact CB-CG2 4.25Å; V1550-V1560 HydrophobicContact CG1-CG2 3.67Å; V1550-V1560 HydrophobicContact CG2-CG2 3.52Å; V1550-L1563 HydrophobicContact CG2-CD1 3.91Å; V1550-A1567 HydrophobicContact CB-CB 4.34Å; V1550-A1567 HydrophobicContact CG1-CB 3.95Å; V1550-G1569 PolarHBondContact N-O 3.1Å; V1550-L1570 HydrophobicContact CG1-CD1 3.94Å; V1550-K1571 PolarHBondContact O-N 2.93Å; V1550-W1596 HydrophobicContact CG1-CH2 3.54Å; V1550-W1596 HydrophobicContact CG1-CZ2 4.34Å; V1550-W1596 HydrophobicContact CG1-CZ3 4.1Å
1551G93.2Very high92.4Very high0 Ų028.8 Ų28.80%015%0.151CC..EExtended strand (participates in β ladder)trans-82.2142.2179.700000111.9I1525 N1556I1525-G1551 PolarHBondContact O-N 3.29Å; G1551-N1556 PolarHBondContact O-ND2 2.95Å
1552A92.7Very high92.1Very high0 Ų033.5 Ų33.50%017%0.171CC..  trans-83.312916700000110L1570 K1571 M1572 L1583A1552-L1570 HydrophobicContact CB-CD1 4.01Å; A1552-L1570 HydrophobicContact CB-CD2 4.46Å; A1552-L1570 HydrophobicContact CB-CG 4.21Å; A1552-K1571 PolarHBondContact N-O 3.06Å; A1552-M1572 HydrophobicContact CB-CB 4.44Å; A1552-M1572 HydrophobicContact CB-CG 3.76Å; A1552-L1583 HydrophobicContact CB-CD1 4.09Å; A1552-L1583 HydrophobicContact CB-CD2 4.13Å; A1552-L1583 HydrophobicContact CB-CG 4.46Å
1553S91.1Very high91.8Very high19 Ų1933.9 Ų33.913%0.13317%0.173CC..  trans-113.6169.2165.968.50000109.7D1555 N1556 L1583 H1592S1553-D1555 WeakPolarHBondContact CB-OD1 3.34Å; S1553-D1555 PolarHBondContact O-N 3.29Å; S1553-D1555 VanDerWaalsContact O-N 3.15Å; S1553-D1555 PolarHBondContact OG-OD1 2.75Å; S1553-N1556 PolarHBondContact N-OD1 3.37Å; S1553-N1556 PolarHBondContact O-OD1 3.2Å; S1553-N1556 VanDerWaalsContact OG-CB 3.27Å; S1553-N1556 WeakPolarHBondContact OG-CB 3.26Å; S1553-N1556 PolarHBondContact OG-N 2.99Å; S1553-N1556 PolarHBondContact OG-OD1 3.34Å; S1553-L1583 WeakPolarHBondContact O-CD2 3.04Å; S1553-H1592 PolarHBondContact O-NE2 2.8Å
1554D87Confident91.3Very high52 Ų5231.7 Ų31.728%0.27817%0.166SC..SBendtrans-63.1-21.1-179.6-74.9-39000113.6S1584 S1588D1554-S1584 PolarHBondContact OD1-N 3.26Å; D1554-S1584 PolarHBondContact OD1-OG 3.45Å; D1554-S1584 WeakPolarHBondContact OD2-CB 3.49Å; D1554-S1584 PolarHBondContact OD2-N 3.02Å; D1554-S1584 PolarHBondContact OD2-OG 3.15Å; D1554-S1588 VanDerWaalsContact OD1-CB 3.27Å; D1554-S1588 WeakPolarHBondContact OD1-CB 3.22Å; D1554-S1588 PolarHBondContact OD1-OG 2.71Å
1555D87.2Confident90.8Very high130 Ų13035.6 Ų35.670%0.69519%0.193SC*.SBendtrans-114-16.8-170.658.5-22000115.2S1553S1553-D1555 WeakPolarHBondContact CB-OD1 3.34Å; S1553-D1555 PolarHBondContact O-N 3.29Å; S1553-D1555 VanDerWaalsContact O-N 3.15Å; S1553-D1555 PolarHBondContact OG-OD1 2.75Å
1556N93.3Very high90.5Very high15 Ų1539.1 Ų39.18%0.0821%0.209CC..G310 helixtrans-87.7-2.3-174.176.2-16.3000115.8V1526 G1551 S1553 A1558 Q1559 V1560 H1592V1526-N1556 PolarHBondContact O-ND2 2.97Å; G1551-N1556 PolarHBondContact O-ND2 2.95Å; S1553-N1556 PolarHBondContact N-OD1 3.37Å; S1553-N1556 PolarHBondContact O-OD1 3.2Å; S1553-N1556 VanDerWaalsContact OG-CB 3.27Å; S1553-N1556 WeakPolarHBondContact OG-CB 3.26Å; S1553-N1556 PolarHBondContact OG-N 2.99Å; S1553-N1556 PolarHBondContact OG-OD1 3.34Å; N1556-A1558 PolarHBondContact O-N 3.2Å; N1556-Q1559 PolarHBondContact O-N 3.36Å; N1556-V1560 HydrophobicContact CB-CB 4.49Å; N1556-V1560 VanDerWaalsContact O-CB 3.32Å; N1556-V1560 WeakPolarHBondContact O-CB 3.34Å; N1556-V1560 WeakPolarHBondContact O-CG1 3.44Å; N1556-V1560 PolarHBondContact O-N 2.99Å; N1556-H1592 PolarHBondContact OD1-CE1 2.65Å; N1556-H1592 PolarHBondContact OD1-NE2 2.89Å
1557W89.4Confident90.3Very high64 Ų6438.9 Ų38.924%0.24221%0.208CC..G310 helixtrans-54-27.6-175.562.2-91.6000114.8R1591 H1592 H1595W1557-R1591 HydrophobicContact CB-CB 4.11Å; W1557-R1591 HydrophobicContact CD2-CB 3.99Å; W1557-R1591 HydrophobicContact CD2-CG 4.32Å; W1557-R1591 HydrophobicContact CE3-CB 4.39Å; W1557-R1591 HydrophobicContact CG-CB 3.83Å; W1557-H1592 WeakPolarHBondContact CA-CE1 3.48Å; W1557-H1592 VanDerWaalsContact CB-CE1 3.41Å; W1557-H1592 WeakPolarHBondContact CB-CE1 3.44Å; W1557-H1592 PolarHBondContact N-CE1 3.27Å; W1557-H1595 HydrophobicContact CE3-CB 4.49Å; W1557-H1595 AromaticContact CE3-CD2 3.83Å; W1557-H1595 AromaticContact CE3-CE1 3.62Å; W1557-H1595 AromaticContact CE3-CG 3.73Å; W1557-H1595 AromaticContact CE3-ND1 3.59Å; W1557-H1595 AromaticContact CE3-NE2 3.79Å; W1557-H1595 AromaticContact CZ3-CD2 3.71Å; W1557-H1595 AromaticContact CZ3-CE1 3.46Å; W1557-H1595 VanDerWaalsContact CZ3-CE1 3.46Å; W1557-H1595 WeakPolarHBondContact CZ3-CE1 3.19Å; W1557-H1595 AromaticContact CZ3-ND1 3.92Å; W1557-H1595 AromaticContact CZ3-NE2 3.33Å; W1557-H1595 VanDerWaalsContact CZ3-NE2 3.33Å; W1557-H1595 WeakPolarHBondContact CZ3-NE2 3.29Å
1558A85.5Confident90.2Very high52 Ų5238.9 Ų38.943%0.4321%0.208SC..G310 helixtrans-81.9-21.3-17800000114.4N1556 N1561N1556-A1558 PolarHBondContact O-N 3.2Å; A1558-N1561 PolarHBondContact O-OD1 2.98Å; A1558-N1561 VanDerWaalsContact O-OD1 3.11Å
1559Q88.5Confident90.1Very high139 Ų13938.9 Ų38.965%0.6521%0.208SC*.THydrogen-bonded Turntrans-115.9-28.5-174.9-63.7178.19.300112.2N1556 N1561 E1562N1556-Q1559 PolarHBondContact O-N 3.36Å; Q1559-N1561 PolarHBondContact O-N 3.45Å; Q1559-N1561 PolarHBondContact O-OD1 2.98Å; Q1559-E1562 WeakPolarHBondContact O-CB 3.48Å; Q1559-E1562 WeakPolarHBondContact O-CG 3.41Å; Q1559-E1562 PolarHBondContact O-N 3.38Å; Q1559-E1562 VanDerWaalsContact O-N 3.07Å
1560V91.3Very high90.1Very high3 Ų338.9 Ų38.92%0.01821%0.208CC..G310 helixtrans-60.8-31.5-173.8740000111.9V1550 N1556 E1562 L1563 L1570 W1596V1550-V1560 HydrophobicContact CB-CG2 4.25Å; V1550-V1560 HydrophobicContact CG1-CG2 3.67Å; V1550-V1560 HydrophobicContact CG2-CG2 3.52Å; N1556-V1560 HydrophobicContact CB-CB 4.49Å; N1556-V1560 VanDerWaalsContact O-CB 3.32Å; N1556-V1560 WeakPolarHBondContact O-CB 3.34Å; N1556-V1560 WeakPolarHBondContact O-CG1 3.44Å; N1556-V1560 PolarHBondContact O-N 2.99Å; V1560-E1562 PolarHBondContact O-N 3.46Å; V1560-E1562 VanDerWaalsContact O-N 3.1Å; V1560-L1563 WeakPolarHBondContact O-CB 3.43Å; V1560-L1563 PolarHBondContact O-N 2.88Å; V1560-L1570 HydrophobicContact CG1-CD1 4.19Å; V1560-L1570 HydrophobicContact CG2-CD1 3.89Å; V1560-W1596 HydrophobicContact CB-CZ3 4.28Å; V1560-W1596 HydrophobicContact CG1-CE3 4.04Å; V1560-W1596 HydrophobicContact CG1-CZ3 3.91Å; V1560-W1596 HydrophobicContact CG2-CZ3 3.94Å; V1560-W1596 WeakPolarHBondContact O-CZ3 3.32Å
1561N86.5Confident90.1Very high60 Ų6038.9 Ų38.932%0.32121%0.208SC..G310 helixtrans-56.4-24.8176.964.7-50.1000113.5A1558 Q1559 L1563 A1564 W1596A1558-N1561 PolarHBondContact O-OD1 2.98Å; A1558-N1561 VanDerWaalsContact O-OD1 3.11Å; Q1559-N1561 PolarHBondContact O-N 3.45Å; Q1559-N1561 PolarHBondContact O-OD1 2.98Å; N1561-L1563 PolarHBondContact O-N 2.81Å; N1561-A1564 WeakPolarHBondContact O-CB 3.36Å; N1561-A1564 PolarHBondContact O-N 3.12Å; N1561-W1596 HydrophobicContact CB-CE3 4.47Å
1562E87.9Confident90.2Very high108 Ų10838.9 Ų38.951%0.50521%0.208SC..G310 helixtrans-65.5-25173.2-61.4-173.8-177.300112.9R1528 Q1559 V1560R1528-E1562 IonicContact CZ-OE2 3.51Å; R1528-E1562 IonicContact NH2-OE2 2.71Å; R1528-E1562 PolarHBondContact NH2-OE2 3.43Å; Q1559-E1562 WeakPolarHBondContact O-CB 3.48Å; Q1559-E1562 WeakPolarHBondContact O-CG 3.41Å; Q1559-E1562 PolarHBondContact O-N 3.38Å; Q1559-E1562 VanDerWaalsContact O-N 3.07Å; V1560-E1562 PolarHBondContact O-N 3.46Å; V1560-E1562 VanDerWaalsContact O-N 3.1Å
1563L90.6Very high90.1Very high7 Ų739 Ų394%0.03721%0.209CC..G310 helixtrans-87.3-6.7177.9-61.1172.1000112.7R1528 F1531 V1550 V1560 N1561 S1565 H1566 A1567R1528-L1563 HydrophobicContact CB-CD2 4.14Å; R1528-L1563 HydrophobicContact CG-CD2 4.26Å; F1531-L1563 HydrophobicContact CB-CD1 4.04Å; F1531-L1563 HydrophobicContact CB-CD2 4.39Å; F1531-L1563 HydrophobicContact CD1-CD2 4.12Å; F1531-L1563 HydrophobicContact CG-CD1 4.26Å; F1531-L1563 HydrophobicContact CG-CD2 4.3Å; V1550-L1563 HydrophobicContact CG2-CD1 3.91Å; V1560-L1563 WeakPolarHBondContact O-CB 3.43Å; V1560-L1563 PolarHBondContact O-N 2.88Å; N1561-L1563 PolarHBondContact O-N 2.81Å; L1563-S1565 PolarHBondContact O-N 3.26Å; L1563-S1565 VanDerWaalsContact O-N 3.13Å; L1563-H1566 WeakPolarHBondContact O-CA 3.47Å; L1563-H1566 PolarHBondContact O-N 2.76Å; L1563-A1567 PolarHBondContact O-N 3.29Å
1564A87.3Confident90.1Very high4 Ų438.6 Ų38.63%0.03321%0.205CC..THydrogen-bonded Turntrans-62.2-24.1-173.500000114.7N1561 W1596 P1597 S1600N1561-A1564 WeakPolarHBondContact O-CB 3.36Å; N1561-A1564 PolarHBondContact O-N 3.12Å; A1564-W1596 VanDerWaalsContact CA-CH2 3.41Å; A1564-W1596 HydrophobicContact CB-CD2 4.24Å; A1564-W1596 HydrophobicContact CB-CE3 4.23Å; A1564-W1596 HydrophobicContact CB-CH2 3.53Å; A1564-W1596 HydrophobicContact CB-CZ2 3.53Å; A1564-W1596 HydrophobicContact CB-CZ3 3.91Å; A1564-P1597 HydrophobicContact CB-CB 4.49Å; A1564-P1597 VanDerWaalsContact CB-CD 3.49Å; A1564-P1597 HydrophobicContact CB-CG 3.5Å; A1564-P1597 VanDerWaalsContact CB-CG 3.5Å; A1564-S1600 PolarHBondContact O-OG 3.45Å
1565S84.9Confident90Very high82 Ų8238 Ų3857%0.57320%0.202SC*.THydrogen-bonded Turntrans-76.7-22173.151.30000113.2L1563L1563-S1565 PolarHBondContact O-N 3.26Å; L1563-S1565 VanDerWaalsContact O-N 3.13Å
1566H88Confident89.2Confident80 Ų8037.3 Ų37.337%0.3720%0.198SC..THydrogen-bonded Turntrans-103-26.3-177.5-59.287.4000112.9F1531 L1563 R1825F1531-H1566 HydrophobicContact CE1-CB 3.64Å; F1531-H1566 HydrophobicContact CZ-CB 4.01Å; L1563-H1566 WeakPolarHBondContact O-CA 3.47Å; L1563-H1566 PolarHBondContact O-N 2.76Å; H1566-R1825 WeakPolarHBondContact O-CB 3.44Å; H1566-R1825 WeakPolarHBondContact O-CG 3.46Å
1567A91.9Very high87.8Confident1 Ų138.2 Ų38.21%0.00820%0.204CC..SBendtrans-85.4150.9179.100000112.5F1531 L1548 V1550 L1563 G1569 R1825F1531-A1567 HydrophobicContact CE2-CB 3.96Å; F1531-A1567 HydrophobicContact CZ-CB 4.14Å; L1548-A1567 CarbonylContact O-C 3.28Å; L1548-A1567 WeakPolarHBondContact O-CA 3.31Å; V1550-A1567 HydrophobicContact CB-CB 4.34Å; V1550-A1567 HydrophobicContact CG1-CB 3.95Å; L1563-A1567 PolarHBondContact O-N 3.29Å; A1567-G1569 VanDerWaalsContact C-N 3.34Å; A1567-R1825 PolarHBondContact O-NE 2.87Å
1568C92.5Very high86.6Confident0 Ų041.2 Ų41.20%022%0.219CC..SBendtrans-72.3-30171.360.20000112.5A1547 L1548 Y1549 P1601 R1825A1547-C1568 HydrophobicContact CB-CB 3.61Å; L1548-C1568 PolarHBondContact O-N 2.82Å; L1548-C1568 PolarHBondContact O-SG 3.3Å; L1548-C1568 VanDerWaalsContact O-SG 3.4Å; Y1549-C1568 VanDerWaalsContact CD1-SG 3.54Å; Y1549-C1568 VanDerWaalsContact CE1-SG 3.54Å; C1568-P1601 VanDerWaalsContact O-CD 3.31Å; C1568-P1601 WeakPolarHBondContact O-CD 3.26Å; C1568-P1601 WeakPolarHBondContact O-CG 3.43Å; C1568-R1825 PolarHBondContact O-NH2 2.95Å
1569G93.8Very high85.6Confident0 Ų040 Ų400%021%0.213CC..  trans-173.5173.9174.100000111.7Y1549 V1550 A1567 P1601Y1549-G1569 WeakPolarHBondContact CD1-O 3.48Å; V1550-G1569 PolarHBondContact N-O 3.1Å; A1567-G1569 VanDerWaalsContact C-N 3.34Å; G1569-P1601 VanDerWaalsContact CA-O 3.24Å; G1569-P1601 WeakPolarHBondContact CA-O 3.29Å
1570L95.4Very high84.7Confident0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans-94.5119.7169.9-179.669.8000109V1550 A1552 V1560 M1572 H1592 W1596 P1601 V1603V1550-L1570 HydrophobicContact CG1-CD1 3.94Å; A1552-L1570 HydrophobicContact CB-CD1 4.01Å; A1552-L1570 HydrophobicContact CB-CD2 4.46Å; A1552-L1570 HydrophobicContact CB-CG 4.21Å; V1560-L1570 HydrophobicContact CG1-CD1 4.19Å; V1560-L1570 HydrophobicContact CG2-CD1 3.89Å; L1570-M1572 HydrophobicContact CD2-CG 4.45Å; L1570-M1572 HydrophobicContact CG-CG 4.42Å; L1570-H1592 HydrophobicContact CD2-CB 3.98Å; L1570-W1596 HydrophobicContact CB-CD2 3.7Å; L1570-W1596 HydrophobicContact CB-CE3 4.06Å; L1570-W1596 HydrophobicContact CB-CG 4.14Å; L1570-W1596 HydrophobicContact CB-CH2 4.17Å; L1570-W1596 HydrophobicContact CB-CZ2 3.81Å; L1570-W1596 HydrophobicContact CB-CZ3 4.25Å; L1570-W1596 HydrophobicContact CD1-CE3 4.27Å; L1570-W1596 HydrophobicContact CD1-CH2 4.49Å; L1570-W1596 HydrophobicContact CD1-CZ3 4.11Å; L1570-W1596 HydrophobicContact CD2-CB 4.19Å; L1570-W1596 HydrophobicContact CD2-CD2 3.99Å; L1570-W1596 HydrophobicContact CD2-CE3 3.97Å; L1570-W1596 HydrophobicContact CD2-CG 4.09Å; L1570-W1596 HydrophobicContact CG-CD2 4.36Å; L1570-W1596 HydrophobicContact CG-CE3 4.34Å; L1570-P1601 PolarHBondContact N-O 2.96Å; L1570-V1603 PolarHBondContact O-N 2.96Å
1571K95.2Very high84.4Confident0 Ų039.7 Ų39.70%022%0.22CC..EExtended strand (participates in β ladder)trans-92.6118.6177.9-177.470.7177.6-165.60110.2H1486 M1518 P1519 Y1549 V1550 A1552 Y1573 V1603 C1628H1486-K1571 PolarHBondContact CE1-NZ 3.17Å; M1518-K1571 HydrophobicContact CE-CD 4.1Å; M1518-K1571 HydrophobicContact SD-CD 3.79Å; M1518-K1571 HydrophobicContact SD-CG 4.04Å; P1519-K1571 HydrophobicContact CG-CB 3.82Å; P1519-K1571 HydrophobicContact CG-CG 4.18Å; Y1549-K1571 HydrophobicContact CD1-CB 4.25Å; Y1549-K1571 HydrophobicContact CG-CB 4.39Å; V1550-K1571 PolarHBondContact O-N 2.93Å; A1552-K1571 PolarHBondContact N-O 3.06Å; K1571-Y1573 HydrophobicContact CB-CE2 4.42Å; K1571-Y1573 HydrophobicContact CG-CD2 4.2Å; K1571-Y1573 HydrophobicContact CG-CE1 4.39Å; K1571-Y1573 HydrophobicContact CG-CE2 3.49Å; K1571-Y1573 VanDerWaalsContact CG-CE2 3.49Å; K1571-V1603 CarbonylContact C-O 3.34Å; K1571-V1603 WeakPolarHBondContact CA-O 3.43Å; K1571-V1603 HydrophobicContact CD-CB 4.16Å; K1571-V1603 HydrophobicContact CD-CG1 3.79Å; K1571-C1628 PolarHBondContact NZ-SG 2.98Å
1572M94.4Very high84.4Confident0 Ų040.9 Ų40.90%022%0.222CC..EExtended strand (participates in β ladder)trans-109.5127.4177.6-62.6173.168.100110.2A1552 L1570 L1574 L1583 W1589 H1592 I1602 V1603 C1604 H1605A1552-M1572 HydrophobicContact CB-CB 4.44Å; A1552-M1572 HydrophobicContact CB-CG 3.76Å; L1570-M1572 HydrophobicContact CD2-CG 4.45Å; L1570-M1572 HydrophobicContact CG-CG 4.42Å; M1572-L1574 HydrophobicContact CB-CD2 3.96Å; M1572-L1574 HydrophobicContact CE-CD2 4.17Å; M1572-L1583 HydrophobicContact CB-CD1 4.07Å; M1572-L1583 HydrophobicContact CE-CD1 3.59Å; M1572-L1583 HydrophobicContact CG-CD1 4.15Å; M1572-W1589 HydrophobicContact CE-CB 3.85Å; M1572-W1589 HydrophobicContact CE-CG 4.21Å; M1572-H1592 HydrophobicContact CE-CB 3.98Å; M1572-H1592 HydrophobicContact SD-CB 4.12Å; M1572-I1602 HydrophobicContact CG-CG2 4.38Å; M1572-I1602 HydrophobicContact SD-CG2 3.51Å; M1572-I1602 VanDerWaalsContact SD-CG2 3.51Å; M1572-V1603 PolarHBondContact N-O 2.96Å; M1572-C1604 WeakPolarHBondContact O-CA 3.44Å; M1572-H1605 PolarHBondContact O-N 2.98Å
1573Y91.4Very high84.4Confident4 Ų435.9 Ų35.92%0.01620%0.199CC..EExtended strand (participates in β ladder)trans-103.2109.6175.4-61.3-93.2000109.9K1571 T1577 L1581 K1582 L1583 H1605K1571-Y1573 HydrophobicContact CB-CE2 4.42Å; K1571-Y1573 HydrophobicContact CG-CD2 4.2Å; K1571-Y1573 HydrophobicContact CG-CE1 4.39Å; K1571-Y1573 HydrophobicContact CG-CE2 3.49Å; K1571-Y1573 VanDerWaalsContact CG-CE2 3.49Å; Y1573-T1577 HydrophobicContact CD1-CG2 3.78Å; Y1573-T1577 HydrophobicContact CE1-CG2 4.44Å; Y1573-L1581 HydrophobicContact CD2-CB 3.5Å; Y1573-L1581 VanDerWaalsContact CD2-CB 3.5Å; Y1573-L1581 HydrophobicContact CD2-CD1 4.18Å; Y1573-L1581 HydrophobicContact CE2-CB 3.87Å; Y1573-L1581 HydrophobicContact CE2-CD1 3.69Å; Y1573-L1581 HydrophobicContact CE2-CG 4.45Å; Y1573-L1581 HydrophobicContact CG-CB 4.33Å; Y1573-K1582 WeakPolarHBondContact O-CA 3.43Å; Y1573-L1583 PolarHBondContact O-N 3.4Å; Y1573-H1605 HydrophobicContact CD1-CB 3.88Å
1574L90.6Very high84.1Confident9 Ų939.7 Ų39.75%0.04723%0.226CC..  trans-99-13-173.9-47-170.2000113.1M1572 L1583 W1589 C1604 H1605 A1606 V1614M1572-L1574 HydrophobicContact CB-CD2 3.96Å; M1572-L1574 HydrophobicContact CE-CD2 4.17Å; L1574-L1583 HydrophobicContact CD2-CD1 4.22Å; L1574-W1589 HydrophobicContact CB-CH2 3.91Å; L1574-W1589 HydrophobicContact CB-CZ2 3.68Å; L1574-W1589 HydrophobicContact CD1-CD2 4.3Å; L1574-W1589 HydrophobicContact CD1-CE3 4.07Å; L1574-W1589 HydrophobicContact CD1-CH2 4.12Å; L1574-W1589 HydrophobicContact CD1-CZ2 4.35Å; L1574-W1589 HydrophobicContact CD1-CZ3 3.97Å; L1574-W1589 HydrophobicContact CD2-CD2 3.78Å; L1574-W1589 HydrophobicContact CD2-CE3 4.38Å; L1574-W1589 HydrophobicContact CD2-CG 4.02Å; L1574-W1589 HydrophobicContact CD2-CZ2 4.02Å; L1574-W1589 HydrophobicContact CG-CH2 4.42Å; L1574-W1589 HydrophobicContact CG-CZ2 4.21Å; L1574-C1604 HydrophobicContact CD1-CB 4.32Å; L1574-H1605 WeakPolarHBondContact CB-O 3.48Å; L1574-H1605 WeakPolarHBondContact CG-O 3.41Å; L1574-H1605 PolarHBondContact N-O 2.87Å; L1574-A1606 HydrophobicContact CD1-CB 4.08Å; L1574-V1614 HydrophobicContact CD1-CB 3.55Å; L1574-V1614 HydrophobicContact CD1-CG1 3.98Å; L1574-V1614 HydrophobicContact CD1-CG2 3.71Å
1575N84.1Confident84Confident40 Ų4043 Ų4321%0.21424%0.243CC..SBendtrans-123.2167177.2-6383.3000110.5T1577 A1606 E1607 S1610N1575-T1577 PolarHBondContact O-N 3.16Å; N1575-A1606 WeakPolarHBondContact OD1-CA 3.4Å; N1575-E1607 PolarHBondContact OD1-N 3.32Å; N1575-S1610 PolarHBondContact OD1-OG 2.83Å
1576D70.3Confident84Confident115 Ų11543.8 Ų43.862%0.61524%0.239SC*.  trans-62122.9173.3-68.1-53.7000110.6K1582D1576-K1582 WeakPolarHBondContact OD1-CD 3.49Å; D1576-K1582 WeakPolarHBondContact OD1-CE 3Å; D1576-K1582 IonicContact OD1-NZ 3.45Å; D1576-K1582 PolarHBondContact OD1-NZ 3.04Å; D1576-K1582 IonicContact OD2-NZ 3.97Å; D1576-K1582 PolarHBondContact OD2-NZ 2.83Å
1577T64.7Low83.9Confident35 Ų3543.3 Ų43.322%0.21524%0.242CC..  trans-123.7179.9172.363.30000109.2Y1573 N1575 G1579 H1605Y1573-T1577 HydrophobicContact CD1-CG2 3.78Å; Y1573-T1577 HydrophobicContact CE1-CG2 4.44Å; N1575-T1577 PolarHBondContact O-N 3.16Å; T1577-G1579 PolarHBondContact O-N 3.16Å; T1577-G1579 VanDerWaalsContact O-N 3.12Å; T1577-H1605 VanDerWaalsContact CG2-CE1 3.47Å; T1577-H1605 WeakPolarHBondContact CG2-CE1 3.37Å; T1577-H1605 WeakPolarHBondContact CG2-ND1 3.34Å
1578F63.7Low83.8Confident126 Ų12643.5 Ų43.555%0.55324%0.243SC*.SBendtrans-713.3176.2-164.6-101.8000113.8P1716 P1717F1578-P1716 HydrophobicContact CD2-CB 4.49Å; F1578-P1716 HydrophobicContact CE2-CB 3.91Å; F1578-P1716 HydrophobicContact CZ-CB 4.02Å; F1578-P1717 HydrophobicContact CB-CG 4.19Å; F1578-P1717 HydrophobicContact CD2-CG 4.12Å; F1578-P1717 HydrophobicContact CG-CG 4.47Å
1579G64.5Low83.8Confident28 Ų2844.6 Ų44.629%0.28925%0.247SC..SBendtrans-118.9171-17500000115.1T1577T1577-G1579 PolarHBondContact O-N 3.16Å; T1577-G1579 VanDerWaalsContact O-N 3.12Å
1580T70.3Confident83.6Confident126 Ų12649.2 Ų49.277%0.77327%0.269SS*.SBendtrans-87.74.9-176.949.10000114.8
1581L84.6Confident83.5Confident8 Ų854.2 Ų54.24%0.04229%0.288CS..  trans-93.614-172.3-66.9178.2000115P1519 N1520 V1526 Y1573 L1583P1519-L1581 HydrophobicContact CG-CD1 4.32Å; N1520-L1581 HydrophobicContact CB-CD1 4.14Å; V1526-L1581 HydrophobicContact CG1-CD2 3.32Å; Y1573-L1581 HydrophobicContact CD2-CB 3.5Å; Y1573-L1581 VanDerWaalsContact CD2-CB 3.5Å; Y1573-L1581 HydrophobicContact CD2-CD1 4.18Å; Y1573-L1581 HydrophobicContact CE2-CB 3.87Å; Y1573-L1581 HydrophobicContact CE2-CD1 3.69Å; Y1573-L1581 HydrophobicContact CE2-CG 4.45Å; Y1573-L1581 HydrophobicContact CG-CB 4.33Å; L1581-L1583 PolarHBondContact O-N 2.79Å
1582K87Confident83.5Confident85 Ų8554.3 Ų54.337%0.3729%0.288SS..BIsolated β-bridgetrans-65.6123.8177.5-176.2-175.3179.6-175.30109.6Y1573 D1576Y1573-K1582 WeakPolarHBondContact O-CA 3.43Å; D1576-K1582 WeakPolarHBondContact OD1-CD 3.49Å; D1576-K1582 WeakPolarHBondContact OD1-CE 3Å; D1576-K1582 IonicContact OD1-NZ 3.45Å; D1576-K1582 PolarHBondContact OD1-NZ 3.04Å; D1576-K1582 IonicContact OD2-NZ 3.97Å; D1576-K1582 PolarHBondContact OD2-NZ 2.83Å
1583L88.4Confident83.4Confident3 Ų354.3 Ų54.32%0.01629%0.288CS..  trans-72.9127.8173.2-64.8177000109.6A1552 S1553 M1572 Y1573 L1574 L1581 W1589A1552-L1583 HydrophobicContact CB-CD1 4.09Å; A1552-L1583 HydrophobicContact CB-CD2 4.13Å; A1552-L1583 HydrophobicContact CB-CG 4.46Å; S1553-L1583 WeakPolarHBondContact O-CD2 3.04Å; M1572-L1583 HydrophobicContact CB-CD1 4.07Å; M1572-L1583 HydrophobicContact CE-CD1 3.59Å; M1572-L1583 HydrophobicContact CG-CD1 4.15Å; Y1573-L1583 PolarHBondContact O-N 3.4Å; L1574-L1583 HydrophobicContact CD2-CD1 4.22Å; L1581-L1583 PolarHBondContact O-N 2.79Å; L1583-W1589 HydrophobicContact CD1-CG 4.48Å
1584S82.7Confident83.3Confident88 Ų8857 Ų5762%0.61531%0.308SS*.  trans-74.6-28.6-169.3560000114.3D1554D1554-S1584 PolarHBondContact OD1-N 3.26Å; D1554-S1584 PolarHBondContact OD1-OG 3.45Å; D1554-S1584 WeakPolarHBondContact OD2-CB 3.49Å; D1554-S1584 PolarHBondContact OD2-N 3.02Å; D1554-S1584 PolarHBondContact OD2-OG 3.15Å
1585D85Confident83.4Confident72 Ų7260.9 Ų60.939%0.38533%0.325SS..SBendtrans-147.8167-177.873.834.7000114.6T1587 S1588 W1589D1585-T1587 PolarHBondContact O-N 2.68Å; D1585-T1587 VanDerWaalsContact OD1-CA 3.26Å; D1585-T1587 WeakPolarHBondContact OD1-CA 3.45Å; D1585-T1587 WeakPolarHBondContact OD1-CB 3.34Å; D1585-T1587 PolarHBondContact OD1-N 2.67Å; D1585-S1588 WeakPolarHBondContact O-CB 3.34Å; D1585-S1588 PolarHBondContact O-N 3.12Å; D1585-S1588 PolarHBondContact OD1-N 2.78Å; D1585-W1589 PolarHBondContact O-N 3.01Å; D1585-W1589 PolarHBondContact O-NE1 2.88Å; D1585-W1589 VanDerWaalsContact O-NE1 3.14Å
1586M85.1Confident83.8Confident100 Ų10059.2 Ų59.249%0.49332%0.316SS..Hα-helixtrans-66.4-21.5177.2-79.2-172.866.700114W1589 Q1590 L1617M1586-W1589 HydrophobicContact CG-CD2 4.23Å; M1586-W1589 HydrophobicContact CG-CE3 3.84Å; M1586-W1589 HydrophobicContact CG-CH2 4.44Å; M1586-W1589 HydrophobicContact CG-CZ3 3.96Å; M1586-W1589 WeakPolarHBondContact O-CB 3.47Å; M1586-W1589 PolarHBondContact O-N 2.73Å; M1586-Q1590 PolarHBondContact O-N 2.86Å; M1586-L1617 HydrophobicContact CE-CD2 4.31Å
1587T87.4Confident84.7Confident70 Ų7056.1 Ų56.143%0.42930%0.302SS..Hα-helixtrans-67.4-43.6177.6-47.50000109.7D1585 W1589 Q1590 R1591D1585-T1587 PolarHBondContact O-N 2.68Å; D1585-T1587 VanDerWaalsContact OD1-CA 3.26Å; D1585-T1587 WeakPolarHBondContact OD1-CA 3.45Å; D1585-T1587 WeakPolarHBondContact OD1-CB 3.34Å; D1585-T1587 PolarHBondContact OD1-N 2.67Å; T1587-W1589 VanDerWaalsContact C-N 3.26Å; T1587-W1589 PolarHBondContact O-N 2.86Å; T1587-Q1590 PolarHBondContact O-N 3.43Å; T1587-R1591 VanDerWaalsContact O-CG 3.3Å; T1587-R1591 WeakPolarHBondContact O-CG 3.45Å; T1587-R1591 PolarHBondContact O-N 2.77Å
1588S89Confident85.6Confident5 Ų560.6 Ų60.64%0.03532%0.319CS..Hα-helixtrans-56.9-42170.5-66.10000111D1554 D1585 R1591 H1592D1554-S1588 VanDerWaalsContact OD1-CB 3.27Å; D1554-S1588 WeakPolarHBondContact OD1-CB 3.22Å; D1554-S1588 PolarHBondContact OD1-OG 2.71Å; D1585-S1588 WeakPolarHBondContact O-CB 3.34Å; D1585-S1588 PolarHBondContact O-N 3.12Å; D1585-S1588 PolarHBondContact OD1-N 2.78Å; S1588-R1591 PolarHBondContact O-N 2.86Å; S1588-H1592 PolarHBondContact O-CD2 2.95Å; S1588-H1592 VanDerWaalsContact O-CD2 3.22Å; S1588-H1592 PolarHBondContact O-N 2.64Å
1589W92.4Very high86.5Confident22 Ų2265.7 Ų65.78%0.08333%0.334CS..Hα-helixtrans-63.8-48.1179.7-53.31.1000111.4M1572 L1574 L1583 D1585 M1586 T1587 R1591 H1592 L1593 A1613 L1617M1572-W1589 HydrophobicContact CE-CB 3.85Å; M1572-W1589 HydrophobicContact CE-CG 4.21Å; L1574-W1589 HydrophobicContact CB-CH2 3.91Å; L1574-W1589 HydrophobicContact CB-CZ2 3.68Å; L1574-W1589 HydrophobicContact CD1-CD2 4.3Å; L1574-W1589 HydrophobicContact CD1-CE3 4.07Å; L1574-W1589 HydrophobicContact CD1-CH2 4.12Å; L1574-W1589 HydrophobicContact CD1-CZ2 4.35Å; L1574-W1589 HydrophobicContact CD1-CZ3 3.97Å; L1574-W1589 HydrophobicContact CD2-CD2 3.78Å; L1574-W1589 HydrophobicContact CD2-CE3 4.38Å; L1574-W1589 HydrophobicContact CD2-CG 4.02Å; L1574-W1589 HydrophobicContact CD2-CZ2 4.02Å; L1574-W1589 HydrophobicContact CG-CH2 4.42Å; L1574-W1589 HydrophobicContact CG-CZ2 4.21Å; L1583-W1589 HydrophobicContact CD1-CG 4.48Å; D1585-W1589 PolarHBondContact O-N 3.01Å; D1585-W1589 PolarHBondContact O-NE1 2.88Å; D1585-W1589 VanDerWaalsContact O-NE1 3.14Å; M1586-W1589 HydrophobicContact CG-CD2 4.23Å; M1586-W1589 HydrophobicContact CG-CE3 3.84Å; M1586-W1589 HydrophobicContact CG-CH2 4.44Å; M1586-W1589 HydrophobicContact CG-CZ3 3.96Å; M1586-W1589 WeakPolarHBondContact O-CB 3.47Å; M1586-W1589 PolarHBondContact O-N 2.73Å; T1587-W1589 VanDerWaalsContact C-N 3.26Å; T1587-W1589 PolarHBondContact O-N 2.86Å; W1589-R1591 VanDerWaalsContact C-N 3.32Å; W1589-R1591 PolarHBondContact O-N 3.02Å; W1589-H1592 PolarHBondContact O-N 2.94Å; W1589-L1593 WeakPolarHBondContact O-CB 3.41Å; W1589-L1593 VanDerWaalsContact O-CG 3.28Å; W1589-L1593 WeakPolarHBondContact O-CG 3.29Å; W1589-L1593 PolarHBondContact O-N 2.77Å; W1589-A1613 HydrophobicContact CZ3-CB 4.17Å; W1589-L1617 HydrophobicContact CB-CD2 3.97Å
1590Q90.8Very high87.6Confident97 Ų9765.3 Ų65.345%0.45333%0.327SS..Hα-helixtrans-61-40.6177.6179.2176.3-8.300111.7M1586 T1587 S1594 L1617 L1621M1586-Q1590 PolarHBondContact O-N 2.86Å; T1587-Q1590 PolarHBondContact O-N 3.43Å; Q1590-S1594 VanDerWaalsContact O-CB 3.26Å; Q1590-S1594 WeakPolarHBondContact O-CB 3.31Å; Q1590-S1594 PolarHBondContact O-N 2.88Å; Q1590-S1594 PolarHBondContact O-OG 3.32Å; Q1590-L1617 HydrophobicContact CB-CD2 4.31Å; Q1590-L1621 HydrophobicContact CG-CD1 4.08Å; Q1590-L1621 HydrophobicContact CG-CD2 4.46Å
1591R92.7Very high88.6Confident106 Ų10659.8 Ų59.840%0.429%0.294SS..Hα-helixtrans-61.1-49.9177.1-75.8172.1178.1174.52.2111.2W1557 T1587 S1588 W1589 S1594 H1595W1557-R1591 HydrophobicContact CB-CB 4.11Å; W1557-R1591 HydrophobicContact CD2-CB 3.99Å; W1557-R1591 HydrophobicContact CD2-CG 4.32Å; W1557-R1591 HydrophobicContact CE3-CB 4.39Å; W1557-R1591 HydrophobicContact CG-CB 3.83Å; T1587-R1591 VanDerWaalsContact O-CG 3.3Å; T1587-R1591 WeakPolarHBondContact O-CG 3.45Å; T1587-R1591 PolarHBondContact O-N 2.77Å; S1588-R1591 PolarHBondContact O-N 2.86Å; W1589-R1591 VanDerWaalsContact C-N 3.32Å; W1589-R1591 PolarHBondContact O-N 3.02Å; R1591-S1594 PolarHBondContact O-N 2.73Å; R1591-H1595 WeakPolarHBondContact O-CB 3.48Å; R1591-H1595 PolarHBondContact O-N 3.42Å; R1591-H1595 PolarHBondContact O-ND1 2.88Å
1592H94.3Very high89.1Confident1 Ų159.5 Ų59.51%0.00529%0.292CS..Hα-helixtrans-61-48.2177-81.9-62.3000112.8S1553 N1556 W1557 L1570 M1572 S1588 W1589 S1594 H1595 W1596S1553-H1592 PolarHBondContact O-NE2 2.8Å; N1556-H1592 PolarHBondContact OD1-CE1 2.65Å; N1556-H1592 PolarHBondContact OD1-NE2 2.89Å; W1557-H1592 WeakPolarHBondContact CA-CE1 3.48Å; W1557-H1592 VanDerWaalsContact CB-CE1 3.41Å; W1557-H1592 WeakPolarHBondContact CB-CE1 3.44Å; W1557-H1592 PolarHBondContact N-CE1 3.27Å; L1570-H1592 HydrophobicContact CD2-CB 3.98Å; M1572-H1592 HydrophobicContact CE-CB 3.98Å; M1572-H1592 HydrophobicContact SD-CB 4.12Å; S1588-H1592 PolarHBondContact O-CD2 2.95Å; S1588-H1592 VanDerWaalsContact O-CD2 3.22Å; S1588-H1592 PolarHBondContact O-N 2.64Å; W1589-H1592 PolarHBondContact O-N 2.94Å; H1592-S1594 PolarHBondContact O-N 2.94Å; H1592-H1595 PolarHBondContact O-N 3.49Å; H1592-W1596 WeakPolarHBondContact O-CB 3.24Å; H1592-W1596 PolarHBondContact O-N 3.48Å
1593L91.9Very high89.6Confident0 Ų055.5 Ų55.50%027%0.274CS..Hα-helixtrans-58.6-35.5177.2-74166.1000112.3W1589 I1602 L1617 A1618 L1621 R1623 V1625W1589-L1593 WeakPolarHBondContact O-CB 3.41Å; W1589-L1593 VanDerWaalsContact O-CG 3.28Å; W1589-L1593 WeakPolarHBondContact O-CG 3.29Å; W1589-L1593 PolarHBondContact O-N 2.77Å; L1593-I1602 HydrophobicContact CD2-CD1 3.72Å; L1593-I1602 HydrophobicContact CD2-CG2 4.1Å; L1593-L1617 HydrophobicContact CD1-CB 4.27Å; L1593-L1617 HydrophobicContact CD1-CD2 3.59Å; L1593-L1617 HydrophobicContact CD1-CG 3.69Å; L1593-A1618 HydrophobicContact CD2-CB 4.48Å; L1593-L1621 HydrophobicContact CB-CD1 3.57Å; L1593-L1621 HydrophobicContact CD1-CD1 3.99Å; L1593-L1621 HydrophobicContact CG-CD1 4.42Å; L1593-R1623 HydrophobicContact CB-CG 4.32Å; L1593-R1623 HydrophobicContact CD2-CB 4.22Å; L1593-R1623 HydrophobicContact CD2-CG 4.41Å; L1593-R1623 WeakPolarHBondContact O-CD 3.47Å; L1593-R1623 WeakPolarHBondContact O-CG 3.33Å; L1593-R1623 PolarHBondContact O-NE 2.94Å; L1593-V1625 HydrophobicContact CD2-CG1 3.79Å
1594S90.3Very high89.8Confident62 Ų6255.3 Ų55.343%0.43427%0.274SS..Hα-helixtrans-79.8-37.7-179.1-55.90000113.4Q1590 R1591 H1592Q1590-S1594 VanDerWaalsContact O-CB 3.26Å; Q1590-S1594 WeakPolarHBondContact O-CB 3.31Å; Q1590-S1594 PolarHBondContact O-N 2.88Å; Q1590-S1594 PolarHBondContact O-OG 3.32Å; R1591-S1594 PolarHBondContact O-N 2.73Å; H1592-S1594 PolarHBondContact O-N 2.94Å
1595H91.6Very high90.2Very high89 Ų8951.6 Ų51.641%0.41225%0.246SC..Hα-helixtrans-93-25.2-171.9-68.281.6000114W1557 R1591 H1592W1557-H1595 HydrophobicContact CE3-CB 4.49Å; W1557-H1595 AromaticContact CE3-CD2 3.83Å; W1557-H1595 AromaticContact CE3-CE1 3.62Å; W1557-H1595 AromaticContact CE3-CG 3.73Å; W1557-H1595 AromaticContact CE3-ND1 3.59Å; W1557-H1595 AromaticContact CE3-NE2 3.79Å; W1557-H1595 AromaticContact CZ3-CD2 3.71Å; W1557-H1595 AromaticContact CZ3-CE1 3.46Å; W1557-H1595 VanDerWaalsContact CZ3-CE1 3.46Å; W1557-H1595 WeakPolarHBondContact CZ3-CE1 3.19Å; W1557-H1595 AromaticContact CZ3-ND1 3.92Å; W1557-H1595 AromaticContact CZ3-NE2 3.33Å; W1557-H1595 VanDerWaalsContact CZ3-NE2 3.33Å; W1557-H1595 WeakPolarHBondContact CZ3-NE2 3.29Å; R1591-H1595 WeakPolarHBondContact O-CB 3.48Å; R1591-H1595 PolarHBondContact O-N 3.42Å; R1591-H1595 PolarHBondContact O-ND1 2.88Å; H1592-H1595 PolarHBondContact O-N 3.49Å
1596W93.1Very high90.4Very high5 Ų548.2 Ų48.22%0.01923%0.229CC..SBendtrans-65.2142176.2-164.6-115.8000110.9V1550 V1560 N1561 A1564 L1570 H1592 K1598 S1600 P1601 I1602 R1623V1550-W1596 HydrophobicContact CG1-CH2 3.54Å; V1550-W1596 HydrophobicContact CG1-CZ2 4.34Å; V1550-W1596 HydrophobicContact CG1-CZ3 4.1Å; V1560-W1596 HydrophobicContact CB-CZ3 4.28Å; V1560-W1596 HydrophobicContact CG1-CE3 4.04Å; V1560-W1596 HydrophobicContact CG1-CZ3 3.91Å; V1560-W1596 HydrophobicContact CG2-CZ3 3.94Å; V1560-W1596 WeakPolarHBondContact O-CZ3 3.32Å; N1561-W1596 HydrophobicContact CB-CE3 4.47Å; A1564-W1596 VanDerWaalsContact CA-CH2 3.41Å; A1564-W1596 HydrophobicContact CB-CD2 4.24Å; A1564-W1596 HydrophobicContact CB-CE3 4.23Å; A1564-W1596 HydrophobicContact CB-CH2 3.53Å; A1564-W1596 HydrophobicContact CB-CZ2 3.53Å; A1564-W1596 HydrophobicContact CB-CZ3 3.91Å; L1570-W1596 HydrophobicContact CB-CD2 3.7Å; L1570-W1596 HydrophobicContact CB-CE3 4.06Å; L1570-W1596 HydrophobicContact CB-CG 4.14Å; L1570-W1596 HydrophobicContact CB-CH2 4.17Å; L1570-W1596 HydrophobicContact CB-CZ2 3.81Å; L1570-W1596 HydrophobicContact CB-CZ3 4.25Å; L1570-W1596 HydrophobicContact CD1-CE3 4.27Å; L1570-W1596 HydrophobicContact CD1-CH2 4.49Å; L1570-W1596 HydrophobicContact CD1-CZ3 4.11Å; L1570-W1596 HydrophobicContact CD2-CB 4.19Å; L1570-W1596 HydrophobicContact CD2-CD2 3.99Å; L1570-W1596 HydrophobicContact CD2-CE3 3.97Å; L1570-W1596 HydrophobicContact CD2-CG 4.09Å; L1570-W1596 HydrophobicContact CG-CD2 4.36Å; L1570-W1596 HydrophobicContact CG-CE3 4.34Å; H1592-W1596 WeakPolarHBondContact O-CB 3.24Å; H1592-W1596 PolarHBondContact O-N 3.48Å; W1596-K1598 PolarHBondContact O-N 3.47Å; W1596-S1600 PolarHBondContact NE1-O 3.02Å; W1596-P1601 PolarHBondContact NE1-O 2.91Å; W1596-P1601 VanDerWaalsContact NE1-O 3.1Å; W1596-I1602 HydrophobicContact CB-CD1 4.05Å; W1596-I1602 HydrophobicContact CB-CG1 4.37Å; W1596-I1602 HydrophobicContact CG-CD1 4.38Å; W1596-I1602 HydrophobicContact CG-CG1 4.17Å; W1596-R1623 VanDerWaalsContact O-CZ 3.27Å; W1596-R1623 PolarHBondContact O-NH1 2.9Å; W1596-R1623 PolarHBondContact O-NH2 3.26Å
1597P88.8Confident90.5Very high50 Ų5044.5 Ų44.533%0.32521%0.21SC..  trans-60.3138.2-179.3-28.438.7000113.3A1564 R1599 S1600 R1623A1564-P1597 HydrophobicContact CB-CB 4.49Å; A1564-P1597 VanDerWaalsContact CB-CD 3.49Å; A1564-P1597 HydrophobicContact CB-CG 3.5Å; A1564-P1597 VanDerWaalsContact CB-CG 3.5Å; P1597-R1599 PolarHBondContact O-N 3.11Å; P1597-S1600 PolarHBondContact O-N 3.37Å; P1597-R1623 PolarHBondContact O-NH2 3.3Å
1598K84.5Confident90.5Very high129 Ų12948 Ų4856%0.56122%0.215SC*.THydrogen-bonded Turntrans-59.1-29.1-176.9-82.2-165.7174.3-162.60114.4W1596 S1600 D1622 R1623W1596-K1598 PolarHBondContact O-N 3.47Å; K1598-S1600 VanDerWaalsContact C-N 3.35Å; K1598-D1622 IonicContact NZ-OD2 3.13Å; K1598-D1622 PolarHBondContact NZ-OD2 3.24Å; K1598-R1623 VanDerWaalsContact CA-NH1 3.29Å; K1598-R1623 VanDerWaalsContact CG-NH1 3.27Å
1599R81.6Confident90.5Very high234 Ų23455.9 Ų55.988%0.88325%0.252SS*.THydrogen-bonded Turntrans-83.2-10.7179.2-66.9-174.7177.3-178.2-1.2113.5P1597P1597-R1599 PolarHBondContact O-N 3.11Å
1600S87.9Confident90.4Very high20 Ų2055.4 Ų55.414%0.1425%0.252CS..SBendtrans-98.6131.9-177.8-62.70000109.9A1564 W1596 P1597 K1598A1564-S1600 PolarHBondContact O-OG 3.45Å; W1596-S1600 PolarHBondContact NE1-O 3.02Å; P1597-S1600 PolarHBondContact O-N 3.37Å; K1598-S1600 VanDerWaalsContact C-N 3.35Å
1601P92.7Very high90.5Very high10 Ų1050.8 Ų50.87%0.06523%0.23CC..  trans-58.6144.2-178.7-24.332.2000113.3C1568 G1569 L1570 W1596 I1754 F1755C1568-P1601 VanDerWaalsContact O-CD 3.31Å; C1568-P1601 WeakPolarHBondContact O-CD 3.26Å; C1568-P1601 WeakPolarHBondContact O-CG 3.43Å; G1569-P1601 VanDerWaalsContact CA-O 3.24Å; G1569-P1601 WeakPolarHBondContact CA-O 3.29Å; L1570-P1601 PolarHBondContact N-O 2.96Å; W1596-P1601 PolarHBondContact NE1-O 2.91Å; W1596-P1601 VanDerWaalsContact NE1-O 3.1Å; P1601-I1754 WeakPolarHBondContact CG-O 3.34Å; P1601-F1755 HydrophobicContact CB-CD1 4.24Å; P1601-F1755 HydrophobicContact CG-CD1 4.26Å
1602I94.9Very high90.4Very high2 Ų247.6 Ų47.61%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-116.2124.3168-61.6179.7000107.2M1572 L1593 W1596 V1625 H1626M1572-I1602 HydrophobicContact CG-CG2 4.38Å; M1572-I1602 HydrophobicContact SD-CG2 3.51Å; M1572-I1602 VanDerWaalsContact SD-CG2 3.51Å; L1593-I1602 HydrophobicContact CD2-CD1 3.72Å; L1593-I1602 HydrophobicContact CD2-CG2 4.1Å; W1596-I1602 HydrophobicContact CB-CD1 4.05Å; W1596-I1602 HydrophobicContact CB-CG1 4.37Å; W1596-I1602 HydrophobicContact CG-CD1 4.38Å; W1596-I1602 HydrophobicContact CG-CG1 4.17Å; I1602-V1625 HydrophobicContact CB-CG1 4.37Å; I1602-V1625 HydrophobicContact CG2-CG1 4.21Å; I1602-V1625 WeakPolarHBondContact O-CA 3.27Å; I1602-H1626 PolarHBondContact O-N 2.82Å
1603V95.9Very high90.3Very high0 Ų049 Ų490%024%0.238CC..EExtended strand (participates in β ladder)trans-118.7120.5-171.9-177.60000108.9Y1549 L1570 K1571 M1572 H1626 C1628 F1755Y1549-V1603 HydrophobicContact CE1-CB 4.19Å; Y1549-V1603 HydrophobicContact CE1-CG2 3.62Å; L1570-V1603 PolarHBondContact O-N 2.96Å; K1571-V1603 CarbonylContact C-O 3.34Å; K1571-V1603 WeakPolarHBondContact CA-O 3.43Å; K1571-V1603 HydrophobicContact CD-CB 4.16Å; K1571-V1603 HydrophobicContact CD-CG1 3.79Å; M1572-V1603 PolarHBondContact N-O 2.96Å; V1603-H1626 WeakPolarHBondContact CA-O 3.17Å; V1603-H1626 HydrophobicContact CG2-CB 4.35Å; V1603-C1628 WeakPolarHBondContact CG1-SG 3.39Å; V1603-F1755 HydrophobicContact CG2-CE1 3.6Å; V1603-F1755 HydrophobicContact CG2-CZ 4.18Å
1604C93.7Very high90.4Very high0 Ų049 Ų490%024%0.238CC..EExtended strand (participates in β ladder)trans-116.2120-171.2-59.90000110.4M1572 L1574 A1606 V1614 H1626 I1627 C1628M1572-C1604 WeakPolarHBondContact O-CA 3.44Å; L1574-C1604 HydrophobicContact CD1-CB 4.32Å; C1604-A1606 PolarHBondContact O-N 3.44Å; C1604-V1614 HydrophobicContact CB-CG1 4.45Å; C1604-V1614 HydrophobicContact CB-CG2 4.4Å; C1604-H1626 PolarHBondContact N-O 3.09Å; C1604-I1627 HydrophobicContact CB-CD1 4.33Å; C1604-C1628 PolarHBondContact O-N 2.84Å
1605H91.4Very high90.5Very high9 Ų946.5 Ų46.54%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-73.4105.1156.8-175.7120.4000107M1572 Y1573 L1574 T1577 E1607 H1629M1572-H1605 PolarHBondContact O-N 2.98Å; Y1573-H1605 HydrophobicContact CD1-CB 3.88Å; L1574-H1605 WeakPolarHBondContact CB-O 3.48Å; L1574-H1605 WeakPolarHBondContact CG-O 3.41Å; L1574-H1605 PolarHBondContact N-O 2.87Å; T1577-H1605 VanDerWaalsContact CG2-CE1 3.47Å; T1577-H1605 WeakPolarHBondContact CG2-CE1 3.37Å; T1577-H1605 WeakPolarHBondContact CG2-ND1 3.34Å; H1605-E1607 IonicContact CE1-OE1 3.78Å; H1605-E1607 IonicContact NE2-OE1 2.81Å; H1605-E1607 PolarHBondContact NE2-OE1 2.87Å; H1605-E1607 VanDerWaalsContact NE2-OE1 3.08Å; H1605-H1629 AromaticContact CD2-CE1 3.79Å; H1605-H1629 AromaticContact CE1-CE1 3.17Å; H1605-H1629 PolarHBondContact CE1-CE1 2.73Å; H1605-H1629 AromaticContact CE1-NE2 3.19Å; H1605-H1629 PolarHBondContact CE1-NE2 3.09Å; H1605-H1629 AromaticContact CG-CE1 3.53Å; H1605-H1629 AromaticContact CG-NE2 3.57Å; H1605-H1629 AromaticContact ND1-CE1 3.21Å; H1605-H1629 PolarHBondContact ND1-CE1 3.48Å; H1605-H1629 AromaticContact ND1-NE2 2.89Å; H1605-H1629 PolarHBondContact ND1-NE2 2.8Å; H1605-H1629 AromaticContact NE2-CE1 3.57Å
1606A88.8Confident90.5Very high2 Ų247.3 Ų47.32%0.01723%0.225CC..  trans-135.8132.5-179.700000109.7L1574 N1575 C1604 S1610 T1611 V1614L1574-A1606 HydrophobicContact CD1-CB 4.08Å; N1575-A1606 WeakPolarHBondContact OD1-CA 3.4Å; C1604-A1606 PolarHBondContact O-N 3.44Å; A1606-S1610 WeakPolarHBondContact CA-OG 3.46Å; A1606-T1611 PolarHBondContact O-OG1 3.14Å; A1606-T1611 VanDerWaalsContact O-OG1 3.05Å; A1606-V1614 HydrophobicContact CB-CG1 4.01Å
1607E87.3Confident90.5Very high21 Ų2147.9 Ų47.910%0.09823%0.229CC..  trans-123.7143.3176.6-66.3-174-13500111.5N1575 H1605 Q1609 S1610 T1611 R1632 P1677N1575-E1607 PolarHBondContact OD1-N 3.32Å; H1605-E1607 IonicContact CE1-OE1 3.78Å; H1605-E1607 IonicContact NE2-OE1 2.81Å; H1605-E1607 PolarHBondContact NE2-OE1 2.87Å; H1605-E1607 VanDerWaalsContact NE2-OE1 3.08Å; E1607-Q1609 PolarHBondContact O-N 3.09Å; E1607-S1610 PolarHBondContact N-OG 3.06Å; E1607-S1610 PolarHBondContact O-N 2.79Å; E1607-S1610 VanDerWaalsContact O-N 3.1Å; E1607-S1610 PolarHBondContact O-OG 2.71Å; E1607-T1611 PolarHBondContact N-OG1 2.75Å; E1607-R1632 IonicContact OE2-CZ 3.87Å; E1607-R1632 IonicContact OE2-NH1 2.76Å; E1607-R1632 PolarHBondContact OE2-NH1 2.93Å; E1607-R1632 IonicContact OE2-NH2 3.33Å; E1607-R1632 PolarHBondContact OE2-NH2 3.05Å; E1607-P1677 HydrophobicContact CG-CG 4.25Å
1608R87.8Confident90.6Very high144 Ų14445.6 Ų45.654%0.54321%0.214SC..THydrogen-bonded Turntrans50-118.3175.1-50-168.8170.2163.7-4.5113.1S1610 T1611 E1634 E1635R1608-S1610 VanDerWaalsContact C-N 3.25Å; R1608-S1610 PolarHBondContact O-N 3.1Å; R1608-T1611 WeakPolarHBondContact O-CB 3.5Å; R1608-T1611 PolarHBondContact O-N 3.45Å; R1608-T1611 VanDerWaalsContact O-N 3.15Å; R1608-E1634 VanDerWaalsContact CG-OE1 3.32Å; R1608-E1634 WeakPolarHBondContact CG-OE1 3.44Å; R1608-E1634 IonicContact NE-OE1 3.63Å; R1608-E1635 PolarHBondContact N-OE1 2.82Å
1609Q89.2Confident91Very high170 Ų17044.4 Ų44.479%0.79421%0.21SC*.Hα-helixtrans-61.8-31.4-176.8-63.9148.4-5.300112.7E1607 T1611 A1612 A1613E1607-Q1609 PolarHBondContact O-N 3.09Å; Q1609-T1611 VanDerWaalsContact C-N 3.33Å; Q1609-A1612 PolarHBondContact O-N 2.85Å; Q1609-A1613 WeakPolarHBondContact O-CB 3.07Å; Q1609-A1613 PolarHBondContact O-N 3.1Å
1610S89.9Confident91.5Very high12 Ų1239 Ų398%0.08420%0.198CC..Hα-helixtrans-70.7-30178.969.60000112.2N1575 A1606 E1607 R1608 A1613 V1614N1575-S1610 PolarHBondContact OD1-OG 2.83Å; A1606-S1610 WeakPolarHBondContact CA-OG 3.46Å; E1607-S1610 PolarHBondContact N-OG 3.06Å; E1607-S1610 PolarHBondContact O-N 2.79Å; E1607-S1610 VanDerWaalsContact O-N 3.1Å; E1607-S1610 PolarHBondContact O-OG 2.71Å; R1608-S1610 VanDerWaalsContact C-N 3.25Å; R1608-S1610 PolarHBondContact O-N 3.1Å; S1610-A1613 PolarHBondContact O-N 3.22Å; S1610-V1614 WeakPolarHBondContact O-CG1 3.4Å; S1610-V1614 PolarHBondContact O-N 2.71Å
1611T92.4Very high91.7Very high1 Ų140.3 Ų40.31%0.00620%0.203CC..Hα-helixtrans-62.7-45.7173.7-51.30000110.2A1606 E1607 R1608 Q1609 I1615 I1627 L1638A1606-T1611 PolarHBondContact O-OG1 3.14Å; A1606-T1611 VanDerWaalsContact O-OG1 3.05Å; E1607-T1611 PolarHBondContact N-OG1 2.75Å; R1608-T1611 WeakPolarHBondContact O-CB 3.5Å; R1608-T1611 PolarHBondContact O-N 3.45Å; R1608-T1611 VanDerWaalsContact O-N 3.15Å; Q1609-T1611 VanDerWaalsContact C-N 3.33Å; T1611-I1615 HydrophobicContact CG2-CD1 3.9Å; T1611-I1615 WeakPolarHBondContact O-CB 3.4Å; T1611-I1615 WeakPolarHBondContact O-CD1 2.95Å; T1611-I1615 WeakPolarHBondContact O-CG1 3.24Å; T1611-I1615 PolarHBondContact O-N 3.31Å; T1611-I1615 VanDerWaalsContact O-N 3.11Å; T1611-I1627 HydrophobicContact CG2-CD1 4.49Å; T1611-I1627 HydrophobicContact CG2-CG1 4.36Å; T1611-I1627 HydrophobicContact CG2-CG2 3.93Å; T1611-L1638 HydrophobicContact CG2-CD2 4Å
1612A90.7Very high91.5Very high38 Ų3843.6 Ų43.631%0.31422%0.22SC..Hα-helixtrans-62.7-44.9173.200000112.3Q1609 M1616 L1638Q1609-A1612 PolarHBondContact O-N 2.85Å; A1612-M1616 VanDerWaalsContact O-CB 3.32Å; A1612-M1616 WeakPolarHBondContact O-CB 3.5Å; A1612-M1616 PolarHBondContact O-N 2.92Å; A1612-L1638 HydrophobicContact CB-CD1 3.92Å; A1612-L1638 HydrophobicContact CB-CD2 3.96Å
1613A91.8Very high91.4Very high31 Ų3144.1 Ų44.126%0.25622%0.222SC..Hα-helixtrans-63-45.3-17900000112.6W1589 Q1609 S1610 M1616 L1617W1589-A1613 HydrophobicContact CZ3-CB 4.17Å; Q1609-A1613 WeakPolarHBondContact O-CB 3.07Å; Q1609-A1613 PolarHBondContact O-N 3.1Å; S1610-A1613 PolarHBondContact O-N 3.22Å; A1613-M1616 PolarHBondContact O-N 2.79Å; A1613-L1617 VanDerWaalsContact O-CB 3.3Å; A1613-L1617 WeakPolarHBondContact O-CB 3.45Å; A1613-L1617 PolarHBondContact O-N 2.82Å
1614V93.5Very high91.2Very high0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-72.8-37.9-178.774.70000112.4L1574 C1604 A1606 S1610 M1616 L1617 A1618 I1627L1574-V1614 HydrophobicContact CD1-CB 3.55Å; L1574-V1614 HydrophobicContact CD1-CG1 3.98Å; L1574-V1614 HydrophobicContact CD1-CG2 3.71Å; C1604-V1614 HydrophobicContact CB-CG1 4.45Å; C1604-V1614 HydrophobicContact CB-CG2 4.4Å; A1606-V1614 HydrophobicContact CB-CG1 4.01Å; S1610-V1614 WeakPolarHBondContact O-CG1 3.4Å; S1610-V1614 PolarHBondContact O-N 2.71Å; V1614-M1616 VanDerWaalsContact C-N 3.32Å; V1614-M1616 PolarHBondContact O-N 3.42Å; V1614-L1617 PolarHBondContact O-N 2.84Å; V1614-A1618 WeakPolarHBondContact O-CB 3.18Å; V1614-A1618 PolarHBondContact O-N 2.85Å; V1614-I1627 HydrophobicContact CG1-CD1 3.7Å
1615I93.4Very high91.3Very high10 Ų1046.9 Ų46.95%0.05124%0.241CC..Hα-helixtrans-62.8-43.2175.3-70.3171.5000110T1611 H1619 I1627 L1638 I1639 A1642 V1647 V1649T1611-I1615 HydrophobicContact CG2-CD1 3.9Å; T1611-I1615 WeakPolarHBondContact O-CB 3.4Å; T1611-I1615 WeakPolarHBondContact O-CD1 2.95Å; T1611-I1615 WeakPolarHBondContact O-CG1 3.24Å; T1611-I1615 PolarHBondContact O-N 3.31Å; T1611-I1615 VanDerWaalsContact O-N 3.11Å; I1615-H1619 WeakPolarHBondContact O-CB 3.37Å; I1615-H1619 PolarHBondContact O-N 3.19Å; I1615-I1627 HydrophobicContact CD1-CD1 4.42Å; I1615-I1627 HydrophobicContact CD1-CG1 4.19Å; I1615-I1627 HydrophobicContact CG1-CD1 4.06Å; I1615-I1627 HydrophobicContact CG1-CG1 4.28Å; I1615-L1638 HydrophobicContact CD1-CD2 3.75Å; I1615-I1639 HydrophobicContact CD1-CG1 4Å; I1615-A1642 HydrophobicContact CG2-CB 4Å; I1615-V1647 HydrophobicContact CG2-CG1 3.94Å; I1615-V1649 HydrophobicContact CD1-CG2 3.89Å; I1615-V1649 HydrophobicContact CG1-CB 4.49Å; I1615-V1649 HydrophobicContact CG1-CG2 3.92Å
1616M92.1Very high91.5Very high106 Ų10646.6 Ų46.652%0.52224%0.24SC..Hα-helixtrans-64.1-47176.4-175.861.9179.600111.6A1612 A1613 V1614 A1618 H1619 L1620A1612-M1616 VanDerWaalsContact O-CB 3.32Å; A1612-M1616 WeakPolarHBondContact O-CB 3.5Å; A1612-M1616 PolarHBondContact O-N 2.92Å; A1613-M1616 PolarHBondContact O-N 2.79Å; V1614-M1616 VanDerWaalsContact C-N 3.32Å; V1614-M1616 PolarHBondContact O-N 3.42Å; M1616-A1618 PolarHBondContact O-N 3.46Å; M1616-H1619 PolarHBondContact O-N 3.24Å; M1616-L1620 HydrophobicContact CE-CD1 4.18Å; M1616-L1620 HydrophobicContact CE-CD2 4.15Å; M1616-L1620 HydrophobicContact CE-CG 4.17Å; M1616-L1620 HydrophobicContact CG-CD1 4.31Å; M1616-L1620 WeakPolarHBondContact O-CG 3.45Å; M1616-L1620 PolarHBondContact O-N 3.44Å
1617L92.5Very high91.9Very high17 Ų1746.5 Ų46.59%0.08924%0.239CC..Hα-helixtrans-63.7-41.6179.2-173.362.2000111.8M1586 W1589 Q1590 L1593 A1613 V1614 H1619 L1620 L1621M1586-L1617 HydrophobicContact CE-CD2 4.31Å; W1589-L1617 HydrophobicContact CB-CD2 3.97Å; Q1590-L1617 HydrophobicContact CB-CD2 4.31Å; L1593-L1617 HydrophobicContact CD1-CB 4.27Å; L1593-L1617 HydrophobicContact CD1-CD2 3.59Å; L1593-L1617 HydrophobicContact CD1-CG 3.69Å; A1613-L1617 VanDerWaalsContact O-CB 3.3Å; A1613-L1617 WeakPolarHBondContact O-CB 3.45Å; A1613-L1617 PolarHBondContact O-N 2.82Å; V1614-L1617 PolarHBondContact O-N 2.84Å; L1617-H1619 VanDerWaalsContact C-N 3.35Å; L1617-L1620 PolarHBondContact O-N 2.92Å; L1617-L1621 HydrophobicContact CD1-CD1 4.06Å; L1617-L1621 HydrophobicContact CD1-CG 4.45Å; L1617-L1621 HydrophobicContact CG-CD1 3.97Å; L1617-L1621 WeakPolarHBondContact O-CB 3.43Å; L1617-L1621 VanDerWaalsContact O-CG 3.28Å; L1617-L1621 WeakPolarHBondContact O-CG 3.42Å; L1617-L1621 PolarHBondContact O-N 2.88Å
1618A91.7Very high92.3Very high1 Ų145.5 Ų45.51%0.00823%0.234CC..Hα-helixtrans-62.6-42.117500000111.6L1593 V1614 M1616 L1621 D1622 R1623 V1625L1593-A1618 HydrophobicContact CD2-CB 4.48Å; V1614-A1618 WeakPolarHBondContact O-CB 3.18Å; V1614-A1618 PolarHBondContact O-N 2.85Å; M1616-A1618 PolarHBondContact O-N 3.46Å; A1618-L1621 CarbonylContact O-C 3.36Å; A1618-L1621 PolarHBondContact O-N 2.91Å; A1618-D1622 PolarHBondContact O-N 3.36Å; A1618-R1623 HydrophobicContact CB-CB 4.24Å; A1618-R1623 PolarHBondContact O-N 2.85Å; A1618-V1625 HydrophobicContact CB-CB 4.24Å; A1618-V1625 HydrophobicContact CB-CG1 3.52Å; A1618-V1625 HydrophobicContact CB-CG2 3.68Å
1619H92.5Very high92.5Very high105 Ų10538.7 Ų38.749%0.48621%0.209SC..Hα-helixtrans-62.4-46174.8-175.261.4000112.2I1615 M1616 L1617 L1621 D1622 V1647I1615-H1619 WeakPolarHBondContact O-CB 3.37Å; I1615-H1619 PolarHBondContact O-N 3.19Å; M1616-H1619 PolarHBondContact O-N 3.24Å; L1617-H1619 VanDerWaalsContact C-N 3.35Å; H1619-L1621 PolarHBondContact O-N 3.05Å; H1619-D1622 PolarHBondContact O-N 2.9Å; H1619-D1622 VanDerWaalsContact O-N 3.14Å; H1619-V1647 HydrophobicContact CB-CG1 4.04Å
1620L91.1Very high92.8Very high120 Ų12030.7 Ų30.763%0.62817%0.171SC*.Hα-helixtrans-60.4-32.2176.5-72.1173.4000113M1616 L1617M1616-L1620 HydrophobicContact CE-CD1 4.18Å; M1616-L1620 HydrophobicContact CE-CD2 4.15Å; M1616-L1620 HydrophobicContact CE-CG 4.17Å; M1616-L1620 HydrophobicContact CG-CD1 4.31Å; M1616-L1620 WeakPolarHBondContact O-CG 3.45Å; M1616-L1620 PolarHBondContact O-N 3.44Å; L1617-L1620 PolarHBondContact O-N 2.92Å
1621L91.9Very high92.9Very high47 Ų4730.1 Ų30.125%0.24617%0.167CC..THydrogen-bonded Turntrans-944.6179.8-62.3171.7000113.5Q1590 L1593 L1617 A1618 H1619 R1623Q1590-L1621 HydrophobicContact CG-CD1 4.08Å; Q1590-L1621 HydrophobicContact CG-CD2 4.46Å; L1593-L1621 HydrophobicContact CB-CD1 3.57Å; L1593-L1621 HydrophobicContact CD1-CD1 3.99Å; L1593-L1621 HydrophobicContact CG-CD1 4.42Å; L1617-L1621 HydrophobicContact CD1-CD1 4.06Å; L1617-L1621 HydrophobicContact CD1-CG 4.45Å; L1617-L1621 HydrophobicContact CG-CD1 3.97Å; L1617-L1621 WeakPolarHBondContact O-CB 3.43Å; L1617-L1621 VanDerWaalsContact O-CG 3.28Å; L1617-L1621 WeakPolarHBondContact O-CG 3.42Å; L1617-L1621 PolarHBondContact O-N 2.88Å; A1618-L1621 CarbonylContact O-C 3.36Å; A1618-L1621 PolarHBondContact O-N 2.91Å; H1619-L1621 PolarHBondContact O-N 3.05Å; L1621-R1623 VanDerWaalsContact C-N 3.32Å; L1621-R1623 HydrophobicContact CB-CG 3.87Å; L1621-R1623 PolarHBondContact O-N 2.8Å
1622D90.1Very high93Very high80 Ų8031.1 Ų31.143%0.42817%0.171SC..THydrogen-bonded Turntrans47.853-171.8178.149.2000112.2K1598 A1618 H1619 K1648K1598-D1622 IonicContact NZ-OD2 3.13Å; K1598-D1622 PolarHBondContact NZ-OD2 3.24Å; A1618-D1622 PolarHBondContact O-N 3.36Å; H1619-D1622 PolarHBondContact O-N 2.9Å; H1619-D1622 VanDerWaalsContact O-N 3.14Å; D1622-K1648 IonicContact OD1-NZ 2.83Å; D1622-K1648 PolarHBondContact OD1-NZ 2.91Å
1623R91.5Very high93.1Very high13 Ų1332.1 Ų32.15%0.04917%0.168CC..  trans-115.5141.7177.1-63.8-58.1-58.4-155.71.6110.4L1593 W1596 P1597 K1598 A1618 L1621L1593-R1623 HydrophobicContact CB-CG 4.32Å; L1593-R1623 HydrophobicContact CD2-CB 4.22Å; L1593-R1623 HydrophobicContact CD2-CG 4.41Å; L1593-R1623 WeakPolarHBondContact O-CD 3.47Å; L1593-R1623 WeakPolarHBondContact O-CG 3.33Å; L1593-R1623 PolarHBondContact O-NE 2.94Å; W1596-R1623 VanDerWaalsContact O-CZ 3.27Å; W1596-R1623 PolarHBondContact O-NH1 2.9Å; W1596-R1623 PolarHBondContact O-NH2 3.26Å; P1597-R1623 PolarHBondContact O-NH2 3.3Å; K1598-R1623 VanDerWaalsContact CA-NH1 3.29Å; K1598-R1623 VanDerWaalsContact CG-NH1 3.27Å; A1618-R1623 HydrophobicContact CB-CB 4.24Å; A1618-R1623 PolarHBondContact O-N 2.85Å; L1621-R1623 VanDerWaalsContact C-N 3.32Å; L1621-R1623 HydrophobicContact CB-CG 3.87Å; L1621-R1623 PolarHBondContact O-N 2.8Å
1624S92.2Very high93.2Very high53 Ų5335.5 Ų35.537%0.37118%0.179SC..  trans-84.5136.2164.955.90000110.5K1648S1624-K1648 VanDerWaalsContact CA-O 3.23Å; S1624-K1648 WeakPolarHBondContact CA-O 3.34Å
1625V95Very high93.3Very high4 Ų435.7 Ų35.72%0.02418%0.18CC..EExtended strand (participates in β ladder)trans-127.8144.6174.6-70.50000111.1L1593 I1602 A1618 I1627 K1648 V1649 T1650L1593-V1625 HydrophobicContact CD2-CG1 3.79Å; I1602-V1625 HydrophobicContact CB-CG1 4.37Å; I1602-V1625 HydrophobicContact CG2-CG1 4.21Å; I1602-V1625 WeakPolarHBondContact O-CA 3.27Å; A1618-V1625 HydrophobicContact CB-CB 4.24Å; A1618-V1625 HydrophobicContact CB-CG1 3.52Å; A1618-V1625 HydrophobicContact CB-CG2 3.68Å; V1625-I1627 HydrophobicContact CG2-CD1 4.32Å; V1625-K1648 PolarHBondContact N-O 2.92Å; V1625-V1649 HydrophobicContact CG2-CG2 4.36Å; V1625-V1649 WeakPolarHBondContact O-CA 3.36Å; V1625-T1650 PolarHBondContact O-N 2.99Å
1626H97.2Very high93.4Very high3 Ų335.2 Ų35.21%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-106.6120.8171.7-172.178.3000109.5I1602 V1603 C1604 T1650 C1651 E1652 F1755I1602-H1626 PolarHBondContact O-N 2.82Å; V1603-H1626 WeakPolarHBondContact CA-O 3.17Å; V1603-H1626 HydrophobicContact CG2-CB 4.35Å; C1604-H1626 PolarHBondContact N-O 3.09Å; H1626-T1650 CarbonylContact C-O 3.5Å; H1626-T1650 VanDerWaalsContact CA-O 3.31Å; H1626-T1650 WeakPolarHBondContact CA-O 3.34Å; H1626-T1650 PolarHBondContact ND1-OG1 3.18Å; H1626-C1651 VanDerWaalsContact CE1-C 3.41Å; H1626-E1652 IonicContact CD2-OE2 3.96Å; H1626-E1652 IonicContact NE2-OE2 3.61Å; H1626-E1652 PolarHBondContact NE2-OE2 2.92Å; H1626-F1755 AromaticContact CD2-CZ 3.83Å
1627I96.8Very high93.5Very high1 Ų134.4 Ų34.41%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-91.2122.8-179.7-53.5-56.2000109.7C1604 T1611 V1614 I1615 V1625 V1630 I1639 V1649 T1650 C1651 E1652C1604-I1627 HydrophobicContact CB-CD1 4.33Å; T1611-I1627 HydrophobicContact CG2-CD1 4.49Å; T1611-I1627 HydrophobicContact CG2-CG1 4.36Å; T1611-I1627 HydrophobicContact CG2-CG2 3.93Å; V1614-I1627 HydrophobicContact CG1-CD1 3.7Å; I1615-I1627 HydrophobicContact CD1-CD1 4.42Å; I1615-I1627 HydrophobicContact CD1-CG1 4.19Å; I1615-I1627 HydrophobicContact CG1-CD1 4.06Å; I1615-I1627 HydrophobicContact CG1-CG1 4.28Å; V1625-I1627 HydrophobicContact CG2-CD1 4.32Å; I1627-V1630 HydrophobicContact CB-CG2 4.46Å; I1627-V1630 HydrophobicContact CG2-CG2 3.98Å; I1627-I1639 HydrophobicContact CB-CD1 4.32Å; I1627-I1639 HydrophobicContact CG1-CD1 4.49Å; I1627-I1639 HydrophobicContact CG2-CD1 4.33Å; I1627-V1649 HydrophobicContact CG1-CG2 3.81Å; I1627-T1650 PolarHBondContact N-O 3.13Å; I1627-C1651 HydrophobicContact CB-CB 4.2Å; I1627-C1651 VanDerWaalsContact O-CA 3.32Å; I1627-C1651 WeakPolarHBondContact O-CA 3.07Å; I1627-E1652 PolarHBondContact O-N 2.99Å
1628C94.4Very high93.6Very high0 Ų036.5 Ų36.50%018%0.183CC..  trans-77.1150.7-178.9-71.60000113.6K1571 V1603 C1604 V1630 E1652K1571-C1628 PolarHBondContact NZ-SG 2.98Å; V1603-C1628 WeakPolarHBondContact CG1-SG 3.39Å; C1604-C1628 PolarHBondContact O-N 2.84Å; C1628-V1630 PolarHBondContact O-N 2.94Å; C1628-V1630 VanDerWaalsContact O-N 3.11Å; C1628-E1652 WeakPolarHBondContact CA-OE1 3.43Å; C1628-E1652 WeakPolarHBondContact CB-OE1 3.29Å; C1628-E1652 PolarHBondContact SG-OE1 3.42Å
1629H92.2Very high93.8Very high1 Ų136.5 Ų36.51%0.00518%0.183CC..  trans33.159.4168.248.846.4000114.4H1486 H1605 A1631 E1652 C1654 P1677H1486-H1629 AromaticContact CE1-CD2 3.63Å; H1486-H1629 AromaticContact CE1-NE2 3.94Å; H1605-H1629 AromaticContact CD2-CE1 3.79Å; H1605-H1629 AromaticContact CE1-CE1 3.17Å; H1605-H1629 PolarHBondContact CE1-CE1 2.73Å; H1605-H1629 AromaticContact CE1-NE2 3.19Å; H1605-H1629 PolarHBondContact CE1-NE2 3.09Å; H1605-H1629 AromaticContact CG-CE1 3.53Å; H1605-H1629 AromaticContact CG-NE2 3.57Å; H1605-H1629 AromaticContact ND1-CE1 3.21Å; H1605-H1629 PolarHBondContact ND1-CE1 3.48Å; H1605-H1629 AromaticContact ND1-NE2 2.89Å; H1605-H1629 PolarHBondContact ND1-NE2 2.8Å; H1605-H1629 AromaticContact NE2-CE1 3.57Å; H1629-A1631 PolarHBondContact O-N 3.49Å; H1629-E1652 PolarHBondContact N-OE1 3.02Å; H1629-C1654 WeakPolarHBondContact CB-SG 3.44Å; H1629-P1677 WeakPolarHBondContact ND1-CD 3.31Å; H1629-P1677 WeakPolarHBondContact O-CG 3.38Å
1630V95.1Very high93.9Very high1 Ų136.1 Ų36.11%0.00618%0.177CC..  trans-61.8123.6176.4177.50000108.8I1627 C1628 E1635 I1636 I1639 C1651 E1652 V1653 L1688I1627-V1630 HydrophobicContact CB-CG2 4.46Å; I1627-V1630 HydrophobicContact CG2-CG2 3.98Å; C1628-V1630 PolarHBondContact O-N 2.94Å; C1628-V1630 VanDerWaalsContact O-N 3.11Å; V1630-E1635 HydrophobicContact CG1-CB 3.85Å; V1630-I1636 HydrophobicContact CG1-CB 3.94Å; V1630-I1636 HydrophobicContact CG1-CD1 4.37Å; V1630-I1639 HydrophobicContact CB-CD1 4.47Å; V1630-I1639 HydrophobicContact CG1-CD1 4.19Å; V1630-I1639 HydrophobicContact CG2-CD1 3.42Å; V1630-I1639 VanDerWaalsContact CG2-CD1 3.42Å; V1630-C1651 HydrophobicContact CG2-CB 3.7Å; V1630-E1652 PolarHBondContact N-O 3.39Å; V1630-V1653 WeakPolarHBondContact O-CG2 3.44Å; V1630-L1688 HydrophobicContact CG1-CD2 4.04Å
1631A93.7Very high94Very high1 Ų133 Ų331%0.00817%0.166CC..  trans-124.4-23.9-171.200000113.5H1629 E1635 P1677H1629-A1631 PolarHBondContact O-N 3.49Å; A1631-E1635 PolarHBondContact N-OE2 2.7Å; A1631-E1635 VanDerWaalsContact N-OE2 3.11Å; A1631-P1677 HydrophobicContact CB-CB 3.75Å; A1631-P1677 HydrophobicContact CB-CG 4.07Å
1632R93.5Very high94Very high21 Ų2131.1 Ų31.18%0.07916%0.157CC..SBendtrans-109.2150.7-171.5-59.7178.7-177.5106.61.1112.7E1607 E1634 E1635 I1636 C1680E1607-R1632 IonicContact OE2-CZ 3.87Å; E1607-R1632 IonicContact OE2-NH1 2.76Å; E1607-R1632 PolarHBondContact OE2-NH1 2.93Å; E1607-R1632 IonicContact OE2-NH2 3.33Å; E1607-R1632 PolarHBondContact OE2-NH2 3.05Å; R1632-E1634 VanDerWaalsContact C-N 3.29Å; R1632-E1634 HydrophobicContact CB-CG 3.93Å; R1632-E1634 WeakPolarHBondContact CD-OE1 3.32Å; R1632-E1634 PolarHBondContact O-N 3.2Å; R1632-E1635 HydrophobicContact CB-CG 4.17Å; R1632-E1635 IonicContact CZ-OE1 2.68Å; R1632-E1635 PolarHBondContact N-OE2 3.35Å; R1632-E1635 VanDerWaalsContact N-OE2 3.12Å; R1632-E1635 IonicContact NH1-OE1 2.86Å; R1632-E1635 PolarHBondContact NH1-OE1 2.95Å; R1632-E1635 PolarHBondContact O-N 2.99Å; R1632-E1635 VanDerWaalsContact O-N 3.12Å; R1632-I1636 PolarHBondContact O-N 2.59Å; R1632-I1636 VanDerWaalsContact O-N 3.16Å; R1632-C1680 VanDerWaalsContact CG-SG 3.57Å
1633K94.1Very high94.3Very high59 Ų5929.4 Ų29.426%0.25715%0.146SC..Hα-helixtrans-54.4-44173.3179.5168.6178.6170.80112.3E1635 I1636 Q1637 E1683 D1684 A1687K1633-E1635 VanDerWaalsContact C-N 3.3Å; K1633-E1635 PolarHBondContact O-N 3.49Å; K1633-I1636 WeakPolarHBondContact O-CG2 3.19Å; K1633-Q1637 VanDerWaalsContact CE-NE2 3.34Å; K1633-Q1637 HydrophobicContact CG-CG 4.35Å; K1633-Q1637 VanDerWaalsContact O-CB 3.31Å; K1633-Q1637 WeakPolarHBondContact O-CB 3.44Å; K1633-Q1637 WeakPolarHBondContact O-CG 3.3Å; K1633-Q1637 PolarHBondContact O-N 3.33Å; K1633-E1683 HydrophobicContact CD-CG 4.2Å; K1633-E1683 IonicContact NZ-OE1 3.95Å; K1633-E1683 PolarHBondContact NZ-OE1 3.45Å; K1633-D1684 WeakPolarHBondContact CB-OD1 3.28Å; K1633-D1684 PolarHBondContact N-OD1 2.79Å; K1633-A1687 HydrophobicContact CB-CB 3.71Å; K1633-A1687 HydrophobicContact CD-CB 3.97Å; K1633-A1687 HydrophobicContact CG-CB 3.62Å
1634E93.3Very high94.4Very high102 Ų10234 Ų3448%0.47717%0.168SC..Hα-helixtrans-61.5-36.117963.7-178.417100112.9R1608 R1632 L1638R1608-E1634 VanDerWaalsContact CG-OE1 3.32Å; R1608-E1634 WeakPolarHBondContact CG-OE1 3.44Å; R1608-E1634 IonicContact NE-OE1 3.63Å; R1632-E1634 VanDerWaalsContact C-N 3.29Å; R1632-E1634 HydrophobicContact CB-CG 3.93Å; R1632-E1634 WeakPolarHBondContact CD-OE1 3.32Å; R1632-E1634 PolarHBondContact O-N 3.2Å; E1634-L1638 VanDerWaalsContact O-CB 3.32Å; E1634-L1638 WeakPolarHBondContact O-CB 3.47Å; E1634-L1638 PolarHBondContact O-N 2.85Å
1635E94.7Very high94.4Very high4 Ų439.8 Ų39.82%0.01919%0.186CC..Hα-helixtrans-73.9-47.3-178.4-68160.3-179.700110.6R1608 V1630 A1631 R1632 K1633 L1638 I1639R1608-E1635 PolarHBondContact N-OE1 2.82Å; V1630-E1635 HydrophobicContact CG1-CB 3.85Å; A1631-E1635 PolarHBondContact N-OE2 2.7Å; A1631-E1635 VanDerWaalsContact N-OE2 3.11Å; R1632-E1635 HydrophobicContact CB-CG 4.17Å; R1632-E1635 IonicContact CZ-OE1 2.68Å; R1632-E1635 PolarHBondContact N-OE2 3.35Å; R1632-E1635 VanDerWaalsContact N-OE2 3.12Å; R1632-E1635 IonicContact NH1-OE1 2.86Å; R1632-E1635 PolarHBondContact NH1-OE1 2.95Å; R1632-E1635 PolarHBondContact O-N 2.99Å; R1632-E1635 VanDerWaalsContact O-N 3.12Å; K1633-E1635 VanDerWaalsContact C-N 3.3Å; K1633-E1635 PolarHBondContact O-N 3.49Å; E1635-L1638 PolarHBondContact O-N 3.2Å; E1635-I1639 WeakPolarHBondContact O-CD1 3.18Å; E1635-I1639 WeakPolarHBondContact O-CG1 3.36Å; E1635-I1639 PolarHBondContact O-N 3.1Å
1636I96Very high94.1Very high0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-69.2-35.5-179.8-16858.8000112.2V1630 R1632 K1633 L1638 I1639 R1640 A1687 L1688 N1691 I1695V1630-I1636 HydrophobicContact CG1-CB 3.94Å; V1630-I1636 HydrophobicContact CG1-CD1 4.37Å; R1632-I1636 PolarHBondContact O-N 2.59Å; R1632-I1636 VanDerWaalsContact O-N 3.16Å; K1633-I1636 WeakPolarHBondContact O-CG2 3.19Å; I1636-L1638 VanDerWaalsContact C-N 3.35Å; I1636-I1639 PolarHBondContact O-N 3.29Å; I1636-R1640 VanDerWaalsContact O-CB 3.31Å; I1636-R1640 WeakPolarHBondContact O-CB 3.49Å; I1636-R1640 PolarHBondContact O-N 3.04Å; I1636-A1687 HydrophobicContact CG2-CB 4.44Å; I1636-L1688 HydrophobicContact CB-CD2 4.18Å; I1636-L1688 HydrophobicContact CG1-CD2 4.48Å; I1636-L1688 HydrophobicContact CG2-CD2 4.34Å; I1636-N1691 HydrophobicContact CG1-CB 3.66Å; I1636-I1695 HydrophobicContact CD1-CD1 4.37Å; I1636-I1695 HydrophobicContact CD1-CG1 3.73Å
1637Q94.5Very high93.9Very high90 Ų9043.5 Ų43.542%0.42122%0.221SC..Hα-helixtrans-65.6-38.1174.4-74.7-178.8-13.900112.3K1633 S1641K1633-Q1637 VanDerWaalsContact CE-NE2 3.34Å; K1633-Q1637 HydrophobicContact CG-CG 4.35Å; K1633-Q1637 VanDerWaalsContact O-CB 3.31Å; K1633-Q1637 WeakPolarHBondContact O-CB 3.44Å; K1633-Q1637 WeakPolarHBondContact O-CG 3.3Å; K1633-Q1637 PolarHBondContact O-N 3.33Å; Q1637-S1641 WeakPolarHBondContact O-CB 3.44Å; Q1637-S1641 PolarHBondContact O-N 2.84Å; Q1637-S1641 PolarHBondContact O-OG 3Å
1638L93.7Very high93.5Very high61 Ų6149.2 Ų49.232%0.31925%0.246SC..Hα-helixtrans-65.4-45.4174.1-176.7103000111.1T1611 A1612 I1615 E1634 E1635 I1636 S1641 A1642T1611-L1638 HydrophobicContact CG2-CD2 4Å; A1612-L1638 HydrophobicContact CB-CD1 3.92Å; A1612-L1638 HydrophobicContact CB-CD2 3.96Å; I1615-L1638 HydrophobicContact CD1-CD2 3.75Å; E1634-L1638 VanDerWaalsContact O-CB 3.32Å; E1634-L1638 WeakPolarHBondContact O-CB 3.47Å; E1634-L1638 PolarHBondContact O-N 2.85Å; E1635-L1638 PolarHBondContact O-N 3.2Å; I1636-L1638 VanDerWaalsContact C-N 3.35Å; L1638-S1641 PolarHBondContact O-N 3.32Å; L1638-A1642 WeakPolarHBondContact O-CB 3.14Å; L1638-A1642 PolarHBondContact O-N 3.21Å
1639I95.7Very high93.6Very high0 Ų049.5 Ų49.50%025%0.248CC..Hα-helixtrans-63.7-44.6178.1-69.5159.4000111.1I1615 I1627 V1630 E1635 I1636 S1641 A1642 K1643 V1649 C1651I1615-I1639 HydrophobicContact CD1-CG1 4Å; I1627-I1639 HydrophobicContact CB-CD1 4.32Å; I1627-I1639 HydrophobicContact CG1-CD1 4.49Å; I1627-I1639 HydrophobicContact CG2-CD1 4.33Å; V1630-I1639 HydrophobicContact CB-CD1 4.47Å; V1630-I1639 HydrophobicContact CG1-CD1 4.19Å; V1630-I1639 HydrophobicContact CG2-CD1 3.42Å; V1630-I1639 VanDerWaalsContact CG2-CD1 3.42Å; E1635-I1639 WeakPolarHBondContact O-CD1 3.18Å; E1635-I1639 WeakPolarHBondContact O-CG1 3.36Å; E1635-I1639 PolarHBondContact O-N 3.1Å; I1636-I1639 PolarHBondContact O-N 3.29Å; I1639-S1641 VanDerWaalsContact C-N 3.35Å; I1639-S1641 PolarHBondContact O-N 3.46Å; I1639-A1642 PolarHBondContact O-N 2.9Å; I1639-K1643 HydrophobicContact CG2-CD 4.19Å; I1639-K1643 HydrophobicContact CG2-CG 4.38Å; I1639-K1643 WeakPolarHBondContact O-CB 2.97Å; I1639-K1643 WeakPolarHBondContact O-CG 3.35Å; I1639-K1643 PolarHBondContact O-N 3.06Å; I1639-V1649 HydrophobicContact CG2-CG1 4.35Å; I1639-C1651 HydrophobicContact CD1-CB 3.76Å; I1639-C1651 HydrophobicContact CG2-CB 4.3Å
1640R94.9Very high93.8Very high97 Ų9751 Ų5137%0.36626%0.257SS..Hα-helixtrans-54-52.1172.1170174.7173.3-178.5-2.3111I1636 A1642 K1643 E1644 N1691 Y1694I1636-R1640 VanDerWaalsContact O-CB 3.31Å; I1636-R1640 WeakPolarHBondContact O-CB 3.49Å; I1636-R1640 PolarHBondContact O-N 3.04Å; R1640-A1642 VanDerWaalsContact C-N 3.26Å; R1640-A1642 PolarHBondContact O-N 2.75Å; R1640-K1643 PolarHBondContact O-N 3.02Å; R1640-E1644 HydrophobicContact CG-CG 4.35Å; R1640-E1644 WeakPolarHBondContact CG-OE1 3.34Å; R1640-E1644 IonicContact CZ-OE1 3.6Å; R1640-E1644 IonicContact NE-OE1 2.82Å; R1640-E1644 PolarHBondContact NE-OE1 3.41Å; R1640-E1644 IonicContact NH2-OE1 2.79Å; R1640-E1644 PolarHBondContact NH2-OE1 2.63Å; R1640-E1644 WeakPolarHBondContact O-CB 3.36Å; R1640-E1644 WeakPolarHBondContact O-CG 3.33Å; R1640-E1644 PolarHBondContact O-N 3.08Å; R1640-N1691 VanDerWaalsContact CD-OD1 3.28Å; R1640-N1691 WeakPolarHBondContact CD-OD1 3.48Å; R1640-N1691 PolarHBondContact NH1-OD1 3.04Å; R1640-N1691 VanDerWaalsContact NH1-OD1 3.15Å; R1640-Y1694 HydrophobicContact CB-CD1 4.14Å; R1640-Y1694 HydrophobicContact CB-CD2 4.33Å; R1640-Y1694 HydrophobicContact CB-CG 4.04Å; R1640-Y1694 HydrophobicContact CG-CD1 3.91Å; R1640-Y1694 HydrophobicContact CG-CD2 4.01Å; R1640-Y1694 HydrophobicContact CG-CE1 3.81Å; R1640-Y1694 HydrophobicContact CG-CE2 3.92Å; R1640-Y1694 HydrophobicContact CG-CG 4.01Å
1641S93.4Very high93.9Very high55 Ų5551 Ų5139%0.38526%0.257SS..Hα-helixtrans-60.5-35.4179.3-60.30000112.6Q1637 L1638 I1639 K1645Q1637-S1641 WeakPolarHBondContact O-CB 3.44Å; Q1637-S1641 PolarHBondContact O-N 2.84Å; Q1637-S1641 PolarHBondContact O-OG 3Å; L1638-S1641 PolarHBondContact O-N 3.32Å; I1639-S1641 VanDerWaalsContact C-N 3.35Å; I1639-S1641 PolarHBondContact O-N 3.46Å; S1641-K1645 WeakPolarHBondContact O-CB 3.38Å; S1641-K1645 VanDerWaalsContact O-CG 3.28Å; S1641-K1645 WeakPolarHBondContact O-CG 3.41Å; S1641-K1645 PolarHBondContact O-N 2.83Å
1642A93Very high94.1Very high8 Ų850.9 Ų50.97%0.06626%0.256CS..Hα-helixtrans-70.2-44.4176.400000111.5I1615 L1638 I1639 R1640 K1645 G1646 V1647 V1649I1615-A1642 HydrophobicContact CG2-CB 4Å; L1638-A1642 WeakPolarHBondContact O-CB 3.14Å; L1638-A1642 PolarHBondContact O-N 3.21Å; I1639-A1642 PolarHBondContact O-N 2.9Å; R1640-A1642 VanDerWaalsContact C-N 3.26Å; R1640-A1642 PolarHBondContact O-N 2.75Å; A1642-K1645 CarbonylContact O-C 3.54Å; A1642-K1645 PolarHBondContact O-N 2.82Å; A1642-G1646 PolarHBondContact O-N 2.97Å; A1642-V1647 HydrophobicContact CB-CB 4.01Å; A1642-V1647 HydrophobicContact CB-CG1 4.46Å; A1642-V1647 HydrophobicContact CB-CG2 4.28Å; A1642-V1647 VanDerWaalsContact O-CB 3.26Å; A1642-V1647 WeakPolarHBondContact O-CB 3.45Å; A1642-V1647 WeakPolarHBondContact O-CG2 3.38Å; A1642-V1647 PolarHBondContact O-N 3.37Å; A1642-V1649 HydrophobicContact CB-CG1 3.75Å
1643K95.3Very high94.2Very high44 Ų4449.9 Ų49.919%0.19125%0.253CS..Hα-helixtrans-64.1-44.4176.7-74.6-175.4174.4-175.40112.7I1639 R1640 K1645 G1646 V1649 Y1694 D1696I1639-K1643 HydrophobicContact CG2-CD 4.19Å; I1639-K1643 HydrophobicContact CG2-CG 4.38Å; I1639-K1643 WeakPolarHBondContact O-CB 2.97Å; I1639-K1643 WeakPolarHBondContact O-CG 3.35Å; I1639-K1643 PolarHBondContact O-N 3.06Å; R1640-K1643 PolarHBondContact O-N 3.02Å; K1643-K1645 PolarHBondContact O-N 3.29Å; K1643-G1646 PolarHBondContact O-N 2.94Å; K1643-V1649 WeakPolarHBondContact CE-O 3.37Å; K1643-V1649 HydrophobicContact CG-CG1 3.92Å; K1643-Y1694 HydrophobicContact CD-CD1 4.45Å; K1643-Y1694 PolarHBondContact NZ-O 3.4Å; K1643-D1696 WeakPolarHBondContact CE-OD2 3.34Å; K1643-D1696 IonicContact NZ-OD1 2.83Å; K1643-D1696 PolarHBondContact NZ-OD1 2.62Å; K1643-D1696 IonicContact NZ-OD2 2.67Å; K1643-D1696 PolarHBondContact NZ-OD2 2.57Å
1644E93.9Very high94.3Very high110 Ų11047.1 Ų47.151%0.51424%0.24SC..Hα-helixtrans-60.5-28.8175.5-72.9174.1174.900111.9R1640 G1646 Y1694R1640-E1644 HydrophobicContact CG-CG 4.35Å; R1640-E1644 WeakPolarHBondContact CG-OE1 3.34Å; R1640-E1644 IonicContact CZ-OE1 3.6Å; R1640-E1644 IonicContact NE-OE1 2.82Å; R1640-E1644 PolarHBondContact NE-OE1 3.41Å; R1640-E1644 IonicContact NH2-OE1 2.79Å; R1640-E1644 PolarHBondContact NH2-OE1 2.63Å; R1640-E1644 WeakPolarHBondContact O-CB 3.36Å; R1640-E1644 WeakPolarHBondContact O-CG 3.33Å; R1640-E1644 PolarHBondContact O-N 3.08Å; E1644-G1646 VanDerWaalsContact C-N 3.33Å; E1644-Y1694 HydrophobicContact CG-CE1 4.13Å; E1644-Y1694 PolarHBondContact OE1-OH 3.33Å
1645K92.3Very high94.4Very high173 Ų17342.5 Ų42.575%0.75222%0.219SC*.THydrogen-bonded Turntrans-86.84.9174-70.8176.5-178.3177.70114.3S1641 A1642 K1643 V1647S1641-K1645 WeakPolarHBondContact O-CB 3.38Å; S1641-K1645 VanDerWaalsContact O-CG 3.28Å; S1641-K1645 WeakPolarHBondContact O-CG 3.41Å; S1641-K1645 PolarHBondContact O-N 2.83Å; A1642-K1645 CarbonylContact O-C 3.54Å; A1642-K1645 PolarHBondContact O-N 2.82Å; K1643-K1645 PolarHBondContact O-N 3.29Å; K1645-V1647 VanDerWaalsContact C-N 3.31Å; K1645-V1647 HydrophobicContact CB-CG2 4.46Å; K1645-V1647 PolarHBondContact O-N 3.23Å
1646G89.4Confident94.3Very high61 Ų6142.5 Ų42.563%0.62922%0.219SC*.THydrogen-bonded Turntrans74.216.6179.900000114.7A1642 K1643 E1644A1642-G1646 PolarHBondContact O-N 2.97Å; K1643-G1646 PolarHBondContact O-N 2.94Å; E1644-G1646 VanDerWaalsContact C-N 3.33Å
1647V91.1Very high94.3Very high24 Ų2442.7 Ų42.715%0.14522%0.22CC..  trans-69.1132.6172.1-1780000108.8I1615 H1619 A1642 K1645 V1649I1615-V1647 HydrophobicContact CG2-CG1 3.94Å; H1619-V1647 HydrophobicContact CB-CG1 4.04Å; A1642-V1647 HydrophobicContact CB-CB 4.01Å; A1642-V1647 HydrophobicContact CB-CG1 4.46Å; A1642-V1647 HydrophobicContact CB-CG2 4.28Å; A1642-V1647 VanDerWaalsContact O-CB 3.26Å; A1642-V1647 WeakPolarHBondContact O-CB 3.45Å; A1642-V1647 WeakPolarHBondContact O-CG2 3.38Å; A1642-V1647 PolarHBondContact O-N 3.37Å; K1645-V1647 VanDerWaalsContact C-N 3.31Å; K1645-V1647 HydrophobicContact CB-CG2 4.46Å; K1645-V1647 PolarHBondContact O-N 3.23Å; V1647-V1649 PolarHBondContact O-N 2.9Å
1648K90.5Very high94.3Very high122 Ų12238.4 Ų38.453%0.5320%0.2SC..  trans-74.563.7-178.4-61.7173.9-173.8161.90111.8D1622 S1624 V1625D1622-K1648 IonicContact OD1-NZ 2.83Å; D1622-K1648 PolarHBondContact OD1-NZ 2.91Å; S1624-K1648 VanDerWaalsContact CA-O 3.23Å; S1624-K1648 WeakPolarHBondContact CA-O 3.34Å; V1625-K1648 PolarHBondContact N-O 2.92Å
1649V95.4Very high94.4Very high5 Ų537.3 Ų37.33%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-112.3138175.862.30000110.3I1615 V1625 I1627 I1639 A1642 K1643 V1647I1615-V1649 HydrophobicContact CD1-CG2 3.89Å; I1615-V1649 HydrophobicContact CG1-CB 4.49Å; I1615-V1649 HydrophobicContact CG1-CG2 3.92Å; V1625-V1649 HydrophobicContact CG2-CG2 4.36Å; V1625-V1649 WeakPolarHBondContact O-CA 3.36Å; I1627-V1649 HydrophobicContact CG1-CG2 3.81Å; I1639-V1649 HydrophobicContact CG2-CG1 4.35Å; A1642-V1649 HydrophobicContact CB-CG1 3.75Å; K1643-V1649 WeakPolarHBondContact CE-O 3.37Å; K1643-V1649 HydrophobicContact CG-CG1 3.92Å; V1647-V1649 PolarHBondContact O-N 2.9Å
1650T96.7Very high94.3Very high33 Ų3337.5 Ų37.520%0.20219%0.194CC..EExtended strand (participates in β ladder)trans-122.1161.1166.754.90000109.8V1625 H1626 I1627 D1696 I1754V1625-T1650 PolarHBondContact O-N 2.99Å; H1626-T1650 CarbonylContact C-O 3.5Å; H1626-T1650 VanDerWaalsContact CA-O 3.31Å; H1626-T1650 WeakPolarHBondContact CA-O 3.34Å; H1626-T1650 PolarHBondContact ND1-OG1 3.18Å; I1627-T1650 PolarHBondContact N-O 3.13Å; T1650-D1696 WeakPolarHBondContact CA-OD2 3.4Å; T1650-D1696 WeakPolarHBondContact CB-OD2 3.34Å; T1650-I1754 HydrophobicContact CG2-CD1 3.84Å; T1650-I1754 HydrophobicContact CG2-CG1 4.09Å
1651C97.1Very high94.3Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-146156.5178.465.60000113.3H1626 I1627 V1630 I1639 D1696 V1697H1626-C1651 VanDerWaalsContact CE1-C 3.41Å; I1627-C1651 HydrophobicContact CB-CB 4.2Å; I1627-C1651 VanDerWaalsContact O-CA 3.32Å; I1627-C1651 WeakPolarHBondContact O-CA 3.07Å; V1630-C1651 HydrophobicContact CG2-CB 3.7Å; I1639-C1651 HydrophobicContact CD1-CB 3.76Å; I1639-C1651 HydrophobicContact CG2-CB 4.3Å; C1651-D1696 PolarHBondContact N-OD2 2.95Å; C1651-D1696 PolarHBondContact O-N 3.4Å; C1651-D1696 VanDerWaalsContact O-N 3.13Å; C1651-V1697 PolarHBondContact O-N 3.46Å; C1651-V1697 VanDerWaalsContact O-N 3.11Å
1652E97.3Very high94.3Very high0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-113.7154.2169.972.9-164.1-172.900111.5V1485 H1486 H1626 I1627 C1628 H1629 V1630 V1697 A1699V1485-E1652 VanDerWaalsContact CG2-OE2 3.25Å; V1485-E1652 WeakPolarHBondContact CG2-OE2 3.18Å; H1486-E1652 IonicContact CE1-OE1 3.28Å; H1486-E1652 IonicContact CG-OE1 2.83Å; H1486-E1652 IonicContact ND1-OE1 3.48Å; H1486-E1652 PolarHBondContact ND1-OE1 3.01Å; H1626-E1652 IonicContact CD2-OE2 3.96Å; H1626-E1652 IonicContact NE2-OE2 3.61Å; H1626-E1652 PolarHBondContact NE2-OE2 2.92Å; I1627-E1652 PolarHBondContact O-N 2.99Å; C1628-E1652 WeakPolarHBondContact CA-OE1 3.43Å; C1628-E1652 WeakPolarHBondContact CB-OE1 3.29Å; C1628-E1652 PolarHBondContact SG-OE1 3.42Å; H1629-E1652 PolarHBondContact N-OE1 3.02Å; V1630-E1652 PolarHBondContact N-O 3.39Å; E1652-V1697 CarbonylContact C-O 3.55Å; E1652-V1697 WeakPolarHBondContact CA-O 3.34Å; E1652-V1697 HydrophobicContact CB-CB 3.85Å; E1652-V1697 HydrophobicContact CB-CG1 4.06Å; E1652-V1697 WeakPolarHBondContact CB-O 3.22Å; E1652-A1699 HydrophobicContact CB-CB 3.9Å; E1652-A1699 VanDerWaalsContact CD-CB 3.48Å; E1652-A1699 HydrophobicContact CG-CB 3.94Å; E1652-A1699 WeakPolarHBondContact OE2-CB 3.35Å
1653V96.7Very high94.3Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-122144.4168.5720000109.5V1630 H1657 L1658 L1688 I1695 V1697 F1698 A1699V1630-V1653 WeakPolarHBondContact O-CG2 3.44Å; V1653-H1657 HydrophobicContact CG2-CB 4.43Å; V1653-L1658 HydrophobicContact CG1-CD1 3.8Å; V1653-L1658 HydrophobicContact CG1-CD2 4.28Å; V1653-L1658 HydrophobicContact CG1-CG 4.08Å; V1653-L1658 HydrophobicContact CG2-CD2 3.93Å; V1653-L1658 HydrophobicContact CG2-CG 3.93Å; V1653-L1688 HydrophobicContact CG2-CD1 3.89Å; V1653-L1688 HydrophobicContact CG2-CD2 4.18Å; V1653-L1688 HydrophobicContact CG2-CG 4.49Å; V1653-I1695 HydrophobicContact CB-CD1 3.94Å; V1653-I1695 HydrophobicContact CB-CG2 3.97Å; V1653-I1695 HydrophobicContact CG1-CD1 3.98Å; V1653-I1695 HydrophobicContact CG1-CG2 3.6Å; V1653-I1695 HydrophobicContact CG2-CD1 4.3Å; V1653-V1697 PolarHBondContact N-O 2.74Å; V1653-F1698 HydrophobicContact CG1-CD1 3.55Å; V1653-F1698 HydrophobicContact CG1-CE1 3.76Å; V1653-A1699 PolarHBondContact O-N 2.68Å
1654C95.9Very high94.2Very high0 Ų040.5 Ų40.50%021%0.209CC..  trans-87.8139.7173.8-60.90000112.1H1629 H1656 H1657 L1658 A1699 D1701H1629-C1654 WeakPolarHBondContact CB-SG 3.44Å; C1654-H1656 WeakPolarHBondContact CB-CE1 3.48Å; C1654-H1656 WeakPolarHBondContact CB-NE2 3.2Å; C1654-H1656 PolarHBondContact O-N 3.04Å; C1654-H1657 PolarHBondContact O-N 2.87Å; C1654-L1658 PolarHBondContact O-N 3.16Å; C1654-A1699 VanDerWaalsContact CA-O 3.25Å; C1654-A1699 WeakPolarHBondContact CA-O 3.37Å; C1654-A1699 PolarHBondContact SG-O 2.85Å; C1654-D1701 VanDerWaalsContact SG-CB 3.56Å
1655P93.9Very high94Very high5 Ų536.4 Ų36.43%0.03219%0.192CC..Hα-helixtrans-53.6-38.1175.2-2734.3000112.9H1657 L1658 F1659 A1699 I1725 L1728P1655-H1657 PolarHBondContact O-N 2.83Å; P1655-L1658 WeakPolarHBondContact O-CA 3.39Å; P1655-L1658 PolarHBondContact O-N 2.97Å; P1655-F1659 HydrophobicContact CB-CD2 4.19Å; P1655-F1659 HydrophobicContact CB-CE2 4.48Å; P1655-F1659 WeakPolarHBondContact O-CD2 3.4Å; P1655-F1659 PolarHBondContact O-N 3.07Å; P1655-A1699 WeakPolarHBondContact CD-O 3.34Å; P1655-I1725 HydrophobicContact CG-CB 3.95Å; P1655-I1725 HydrophobicContact CG-CD1 3.59Å; P1655-I1725 HydrophobicContact CG-CG1 3.51Å; P1655-L1728 HydrophobicContact CB-CD1 4.16Å
1656H94.5Very high93.8Very high4 Ų437 Ų372%0.01920%0.197CC..Hα-helixtrans-64-22.3176.556.3-100.8000114C1654 L1660 T1700 F1719 F1789C1654-H1656 WeakPolarHBondContact CB-CE1 3.48Å; C1654-H1656 WeakPolarHBondContact CB-NE2 3.2Å; C1654-H1656 PolarHBondContact O-N 3.04Å; H1656-L1660 HydrophobicContact CB-CD1 4.08Å; H1656-L1660 WeakPolarHBondContact O-CA 3.46Å; H1656-L1660 WeakPolarHBondContact O-CB 3.42Å; H1656-L1660 PolarHBondContact O-N 3.19Å; H1656-L1660 VanDerWaalsContact O-O 3.12Å; H1656-T1700 PolarHBondContact CE1-O 2.84Å; H1656-F1719 HydrophobicContact CB-CD2 3.75Å; H1656-F1719 HydrophobicContact CB-CE2 4.2Å; H1656-F1719 AromaticContact CG-CD2 3.76Å; H1656-F1789 HydrophobicContact CB-CZ 4.09Å
1657H95.2Very high93.8Very high4 Ų440.1 Ų40.12%0.01919%0.19CC..Hα-helixtrans-84.7-19.8170.4-68-48.7000113.4V1653 C1654 P1655 P1677 L1688V1653-H1657 HydrophobicContact CG2-CB 4.43Å; C1654-H1657 PolarHBondContact O-N 2.87Å; P1655-H1657 PolarHBondContact O-N 2.83Å; H1657-P1677 PolarHBondContact CE1-O 3.31Å; H1657-P1677 VanDerWaalsContact CE1-O 3.3Å; H1657-L1688 HydrophobicContact CB-CD1 3.92Å
1658L95.1Very high93.7Very high0 Ų040.5 Ų40.50%019%0.191CC..Hα-helixtrans-83.5-33172.5-66.8178000112.8V1653 C1654 P1655 Q1685 L1688 W1689 I1692 F1698V1653-L1658 HydrophobicContact CG1-CD1 3.8Å; V1653-L1658 HydrophobicContact CG1-CD2 4.28Å; V1653-L1658 HydrophobicContact CG1-CG 4.08Å; V1653-L1658 HydrophobicContact CG2-CD2 3.93Å; V1653-L1658 HydrophobicContact CG2-CG 3.93Å; C1654-L1658 PolarHBondContact O-N 3.16Å; P1655-L1658 WeakPolarHBondContact O-CA 3.39Å; P1655-L1658 PolarHBondContact O-N 2.97Å; L1658-Q1685 WeakPolarHBondContact O-CG 3.29Å; L1658-Q1685 PolarHBondContact O-NE2 2.73Å; L1658-L1688 HydrophobicContact CD2-CB 3.87Å; L1658-L1688 HydrophobicContact CD2-CD1 4.5Å; L1658-W1689 HydrophobicContact CB-CZ2 3.87Å; L1658-W1689 HydrophobicContact CD1-CZ2 4.41Å; L1658-W1689 HydrophobicContact CD2-CD2 4.29Å; L1658-W1689 HydrophobicContact CD2-CZ2 4.44Å; L1658-W1689 HydrophobicContact CG-CZ2 4.48Å; L1658-W1689 PolarHBondContact O-NE1 3.26Å; L1658-I1692 HydrophobicContact CD2-CD1 4.47Å; L1658-F1698 HydrophobicContact CD1-CD1 4.14Å; L1658-F1698 HydrophobicContact CD1-CE1 3.7Å
1659F94.8Very high93.6Very high39 Ų3936.1 Ų36.117%0.17118%0.18CC..Hα-helixtrans-113.2-15.1-170.6-65.7-78.5000114.2P1655 Q1685 W1689 L1728 A1732 F1789P1655-F1659 HydrophobicContact CB-CD2 4.19Å; P1655-F1659 HydrophobicContact CB-CE2 4.48Å; P1655-F1659 WeakPolarHBondContact O-CD2 3.4Å; P1655-F1659 PolarHBondContact O-N 3.07Å; F1659-Q1685 VanDerWaalsContact C-NE2 3.25Å; F1659-W1689 HydrophobicContact CE1-CZ2 4.07Å; F1659-W1689 HydrophobicContact CE2-CZ2 4.43Å; F1659-W1689 HydrophobicContact CZ-CH2 4.19Å; F1659-W1689 AromaticContact CZ-CZ2 3.95Å; F1659-W1689 HydrophobicContact CZ-CZ2 3.95Å; F1659-L1728 HydrophobicContact CD2-CB 3.92Å; F1659-L1728 HydrophobicContact CD2-CD1 4.19Å; F1659-L1728 HydrophobicContact CD2-CD2 4.46Å; F1659-L1728 HydrophobicContact CD2-CG 4.43Å; F1659-L1728 HydrophobicContact CE1-CB 4.5Å; F1659-L1728 HydrophobicContact CE2-CB 3.65Å; F1659-L1728 HydrophobicContact CG-CD2 4.31Å; F1659-L1728 HydrophobicContact CZ-CB 3.96Å; F1659-L1728 WeakPolarHBondContact CZ-O 3.24Å; F1659-A1732 HydrophobicContact CE1-CB 4.18Å; F1659-A1732 HydrophobicContact CZ-CB 3.9Å; F1659-F1789 HydrophobicContact CB-CE1 3.74Å; F1659-F1789 HydrophobicContact CB-CZ 4.34Å
1660L94.8Very high93.1Very high4 Ų443.2 Ų43.22%0.02121%0.213CC..  trans-122.1149174.4-50.4169.6000111.1H1656 D1664 R1667 L1668 L1679 Q1685 F1719 P1788 F1789H1656-L1660 HydrophobicContact CB-CD1 4.08Å; H1656-L1660 WeakPolarHBondContact O-CA 3.46Å; H1656-L1660 WeakPolarHBondContact O-CB 3.42Å; H1656-L1660 PolarHBondContact O-N 3.19Å; H1656-L1660 VanDerWaalsContact O-O 3.12Å; L1660-D1664 WeakPolarHBondContact CA-OD2 3.43Å; L1660-D1664 HydrophobicContact CB-CB 4.31Å; L1660-D1664 HydrophobicContact CD2-CB 4.05Å; L1660-R1667 VanDerWaalsContact CD2-NH2 3.35Å; L1660-L1668 HydrophobicContact CD1-CD1 4.28Å; L1660-L1679 HydrophobicContact CB-CD1 4.18Å; L1660-L1679 HydrophobicContact CB-CD2 3.86Å; L1660-Q1685 PolarHBondContact O-NE2 3.34Å; L1660-F1719 HydrophobicContact CD1-CE2 4.25Å; L1660-P1788 HydrophobicContact CD1-CB 3.74Å; L1660-P1788 HydrophobicContact CD1-CG 4Å; L1660-F1789 HydrophobicContact CD1-CE1 3.89Å; L1660-F1789 HydrophobicContact CD1-CZ 3.97Å; L1660-F1789 HydrophobicContact CD2-CD1 4.19Å; L1660-F1789 HydrophobicContact CD2-CE1 3.85Å; L1660-F1789 HydrophobicContact CG-CD1 4.43Å; L1660-F1789 HydrophobicContact CG-CE1 3.66Å; L1660-F1789 HydrophobicContact CG-CZ 4.11Å
1661S94.1Very high92.6Very high3 Ų342.9 Ų42.92%0.02122%0.216CC..  trans-139.3-175.7175.168.40000111K1663 D1664 C1680S1661-K1663 PolarHBondContact O-N 3.29Å; S1661-K1663 WeakPolarHBondContact OG-CB 3.14Å; S1661-K1663 PolarHBondContact OG-N 2.9Å; S1661-D1664 PolarHBondContact N-OD2 2.88Å; S1661-D1664 WeakPolarHBondContact O-CB 3.19Å; S1661-D1664 PolarHBondContact O-N 3.27Å; S1661-C1680 CarbonylContact C-O 3.57Å; S1661-C1680 WeakPolarHBondContact CA-O 3.47Å; S1661-C1680 WeakPolarHBondContact CB-O 3.17Å
1662T93.3Very high92.2Very high73 Ų7344.6 Ų44.645%0.44823%0.225SC..G310 helixtrans-56-20.8170.752.60000113.8D1664 V1665 L1679 C1680T1662-D1664 VanDerWaalsContact C-N 3.28Å; T1662-D1664 PolarHBondContact O-N 2.79Å; T1662-V1665 WeakPolarHBondContact O-CB 3.41Å; T1662-V1665 PolarHBondContact O-N 2.9Å; T1662-L1679 WeakPolarHBondContact CG2-O 3.34Å; T1662-C1680 PolarHBondContact N-O 3.45Å
1663K92.4Very high92Very high158 Ų15845 Ų4569%0.68723%0.228SC*.G310 helixtrans-66.2-28.1173.5-71.7175.6169.9167.70113.1S1661 V1665 P1682S1661-K1663 PolarHBondContact O-N 3.29Å; S1661-K1663 WeakPolarHBondContact OG-CB 3.14Å; S1661-K1663 PolarHBondContact OG-N 2.9Å; K1663-V1665 VanDerWaalsContact C-N 3.33Å; K1663-P1682 HydrophobicContact CD-CB 4.38Å; K1663-P1682 HydrophobicContact CD-CG 3.58Å; K1663-P1682 HydrophobicContact CG-CG 3.71Å
1664D93.1Very high91.7Very high32 Ų3247.7 Ų47.717%0.17124%0.24CC..G310 helixtrans-82.3-13.1-178.2-66.8-83.1000113.2L1660 S1661 T1662 E1666 R1667 L1668L1660-D1664 WeakPolarHBondContact CA-OD2 3.43Å; L1660-D1664 HydrophobicContact CB-CB 4.31Å; L1660-D1664 HydrophobicContact CD2-CB 4.05Å; S1661-D1664 PolarHBondContact N-OD2 2.88Å; S1661-D1664 WeakPolarHBondContact O-CB 3.19Å; S1661-D1664 PolarHBondContact O-N 3.27Å; T1662-D1664 VanDerWaalsContact C-N 3.28Å; T1662-D1664 PolarHBondContact O-N 2.79Å; D1664-E1666 VanDerWaalsContact C-N 3.25Å; D1664-E1666 PolarHBondContact O-N 2.98Å; D1664-R1667 PolarHBondContact O-N 2.95Å; D1664-R1667 VanDerWaalsContact O-N 3.13Å; D1664-R1667 IonicContact OD1-CZ 2.8Å; D1664-R1667 IonicContact OD1-NE 2.62Å; D1664-R1667 IonicContact OD1-NH2 3.76Å; D1664-R1667 PolarHBondContact OD1-NH2 2.89Å; D1664-L1668 HydrophobicContact CB-CD1 4.22Å; D1664-L1668 WeakPolarHBondContact O-CG 3.42Å; D1664-L1668 PolarHBondContact O-N 2.65Å
1665V90.3Very high91.4Very high25 Ų2547.7 Ų47.715%0.15224%0.24CC..Hα-helixtrans-61.4-36-175.7175.30000111.8T1662 K1663 G1669 S1673 L1679T1662-V1665 WeakPolarHBondContact O-CB 3.41Å; T1662-V1665 PolarHBondContact O-N 2.9Å; K1663-V1665 VanDerWaalsContact C-N 3.33Å; V1665-G1669 CarbonylContact O-C 3.54Å; V1665-G1669 WeakPolarHBondContact O-CA 3.45Å; V1665-G1669 PolarHBondContact O-N 3.45Å; V1665-S1673 WeakPolarHBondContact CA-OG 3.29Å; V1665-L1679 HydrophobicContact CG2-CD1 4.27Å
1666E87.5Confident91Very high184 Ų18451.7 Ų51.786%0.8625%0.254SS*.Hα-helixtrans-65.9-42.2177.2-170.1175.9-175.800111.6D1664D1664-E1666 VanDerWaalsContact C-N 3.25Å; D1664-E1666 PolarHBondContact O-N 2.98Å
1667R90.9Very high90.7Very high128 Ų12851.5 Ų51.548%0.48325%0.254SS..Hα-helixtrans-67.1-42177.4177.1178.46181.1-0.1112.2L1660 D1664 P1788L1660-R1667 VanDerWaalsContact CD2-NH2 3.35Å; D1664-R1667 PolarHBondContact O-N 2.95Å; D1664-R1667 VanDerWaalsContact O-N 3.13Å; D1664-R1667 IonicContact OD1-CZ 2.8Å; D1664-R1667 IonicContact OD1-NE 2.62Å; D1664-R1667 IonicContact OD1-NH2 3.76Å; D1664-R1667 PolarHBondContact OD1-NH2 2.89Å; R1667-P1788 PolarHBondContact NH1-O 3.35Å
1668L88.5Confident90.3Very high31 Ų3155.1 Ų55.116%0.16227%0.273CS..Hα-helixtrans-79-33.6-176.8-67.2172.9000112.2L1660 D1664 M1672 S1673 L1679 P1788L1660-L1668 HydrophobicContact CD1-CD1 4.28Å; D1664-L1668 HydrophobicContact CB-CD1 4.22Å; D1664-L1668 WeakPolarHBondContact O-CG 3.42Å; D1664-L1668 PolarHBondContact O-N 2.65Å; L1668-M1672 HydrophobicContact CB-CB 4.42Å; L1668-M1672 WeakPolarHBondContact O-CB 2.89Å; L1668-M1672 WeakPolarHBondContact O-CG 3.18Å; L1668-S1673 WeakPolarHBondContact CB-OG 3.42Å; L1668-L1679 HydrophobicContact CD1-CD1 4.45Å; L1668-P1788 HydrophobicContact CD1-CB 4.24Å; L1668-P1788 HydrophobicContact CD2-CB 4.07Å; L1668-P1788 WeakPolarHBondContact CD2-O 3.09Å
1669G87.6Confident90.2Very high30 Ų3055.8 Ų55.831%0.30928%0.276SS..  trans90.6143.4-16700000111.7V1665 G1671 M1672 S1673V1665-G1669 CarbonylContact O-C 3.54Å; V1665-G1669 WeakPolarHBondContact O-CA 3.45Å; V1665-G1669 PolarHBondContact O-N 3.45Å; G1669-G1671 PolarHBondContact O-N 3.1Å; G1669-M1672 PolarHBondContact O-N 3.4Å; G1669-S1673 WeakPolarHBondContact O-CB 3.48Å; G1669-S1673 PolarHBondContact O-N 2.98Å; G1669-S1673 PolarHBondContact O-OG 3.03Å
1670H85.7Confident89.9Confident154 Ų15454.7 Ų54.771%0.71327%0.273SS*.THydrogen-bonded Turntrans-54.3-46-173.9-78-73.9000113.5S1673H1670-S1673 PolarHBondContact O-N 2.92Å
1671G85.6Confident89.8Confident27 Ų2756.3 Ų56.328%0.27829%0.285SS..THydrogen-bonded Turntrans-69.3-39.8179.600000113.8G1669 S1673 E1674 K1710 P1715G1669-G1671 PolarHBondContact O-N 3.1Å; G1671-S1673 PolarHBondContact O-N 2.89Å; G1671-E1674 PolarHBondContact O-N 3.34Å; G1671-K1710 PolarHBondContact O-NZ 2.84Å; G1671-P1715 VanDerWaalsContact CA-CG 3.45Å; G1671-P1715 WeakPolarHBondContact O-CB 3.49Å
1672M89.6Confident89.8Confident36 Ų3657.8 Ų57.818%0.17730%0.295CS..THydrogen-bonded Turntrans-64.7-28.7175-65.7-62.7-6800111.4L1668 G1669 E1674 L1707 K1710 R1711 F1719 W1786L1668-M1672 HydrophobicContact CB-CB 4.42Å; L1668-M1672 WeakPolarHBondContact O-CB 2.89Å; L1668-M1672 WeakPolarHBondContact O-CG 3.18Å; G1669-M1672 PolarHBondContact O-N 3.4Å; M1672-E1674 VanDerWaalsContact C-N 3.31Å; M1672-E1674 PolarHBondContact O-N 2.89Å; M1672-L1707 HydrophobicContact CE-CD1 3.66Å; M1672-L1707 HydrophobicContact SD-CD1 4.25Å; M1672-K1710 HydrophobicContact CE-CB 4.36Å; M1672-K1710 WeakPolarHBondContact O-CE 3.45Å; M1672-K1710 PolarHBondContact O-NZ 2.83Å; M1672-K1710 HydrophobicContact SD-CB 3.68Å; M1672-R1711 HydrophobicContact SD-CG 4.14Å; M1672-F1719 VanDerWaalsContact O-CE1 3.22Å; M1672-F1719 WeakPolarHBondContact O-CE1 3.21Å; M1672-W1786 HydrophobicContact CE-CD2 3.84Å; M1672-W1786 HydrophobicContact CE-CE3 3.33Å; M1672-W1786 HydrophobicContact CE-CH2 3.95Å; M1672-W1786 HydrophobicContact CE-CZ2 4.42Å; M1672-W1786 HydrophobicContact CE-CZ3 3.37Å
1673S92.2Very high89.9Confident8 Ų859.7 Ų59.76%0.05630%0.298CS..THydrogen-bonded Turntrans-79.5-3.4-179-550000114.9V1665 L1668 G1669 H1670 G1671 V1675V1665-S1673 WeakPolarHBondContact CA-OG 3.29Å; L1668-S1673 WeakPolarHBondContact CB-OG 3.42Å; G1669-S1673 WeakPolarHBondContact O-CB 3.48Å; G1669-S1673 PolarHBondContact O-N 2.98Å; G1669-S1673 PolarHBondContact O-OG 3.03Å; H1670-S1673 PolarHBondContact O-N 2.92Å; G1671-S1673 PolarHBondContact O-N 2.89Å; S1673-V1675 PolarHBondContact O-N 3.26Å; S1673-V1675 VanDerWaalsContact O-N 3.17Å
1674E90.1Very high90Very high56 Ų5653.6 Ų53.626%0.26227%0.273SS..  trans-64.4116.2179-76.6-62.4145.500112.1G1671 M1672 R1676 K1710 P1715 P1717 G1718G1671-E1674 PolarHBondContact O-N 3.34Å; M1672-E1674 VanDerWaalsContact C-N 3.31Å; M1672-E1674 PolarHBondContact O-N 2.89Å; E1674-R1676 IonicContact OE2-CZ 3.24Å; E1674-R1676 IonicContact OE2-NH1 2.69Å; E1674-R1676 PolarHBondContact OE2-NH1 3.24Å; E1674-R1676 IonicContact OE2-NH2 3.33Å; E1674-R1676 PolarHBondContact OE2-NH2 3.46Å; E1674-R1676 VanDerWaalsContact OE2-NH2 3.11Å; E1674-K1710 PolarHBondContact O-NZ 2.87Å; E1674-P1715 HydrophobicContact CG-CB 4.49Å; E1674-P1715 HydrophobicContact CG-CG 3.98Å; E1674-P1717 WeakPolarHBondContact O-CA 3.32Å; E1674-G1718 PolarHBondContact O-N 3.18Å
1675V91.2Very high90.2Very high0 Ų054 Ų540%027%0.274CS..  trans-148156.4175.459.30000109.9S1673 P1677 L1678 L1679 F1719S1673-V1675 PolarHBondContact O-N 3.26Å; S1673-V1675 VanDerWaalsContact O-N 3.17Å; V1675-P1677 CarbonylContact C-O 3.54Å; V1675-P1677 VanDerWaalsContact C-O 3.28Å; V1675-P1677 WeakPolarHBondContact CG1-O 3.34Å; V1675-P1677 CarbonylContact O-C 3.28Å; V1675-L1678 WeakPolarHBondContact O-CA 3.36Å; V1675-L1678 PolarHBondContact O-N 3.49Å; V1675-L1679 HydrophobicContact CG1-CD2 4.07Å; V1675-L1679 HydrophobicContact CG1-CG 3.86Å; V1675-F1719 HydrophobicContact CB-CD2 4.16Å; V1675-F1719 HydrophobicContact CB-CE1 4.17Å; V1675-F1719 HydrophobicContact CB-CE2 3.79Å; V1675-F1719 HydrophobicContact CB-CZ 3.79Å; V1675-F1719 HydrophobicContact CG1-CD2 4.4Å; V1675-F1719 HydrophobicContact CG1-CE2 3.63Å; V1675-F1719 HydrophobicContact CG1-CZ 3.72Å; V1675-F1719 HydrophobicContact CG2-CD2 4.13Å; V1675-F1719 HydrophobicContact CG2-CE2 4.18Å
1676R85.4Confident90.4Very high89 Ų8958.5 Ų58.534%0.33629%0.293SS..SBendtrans-131.7115176.6-69.2-64.8178.3-77-2.9109.2E1674 P1717E1674-R1676 IonicContact OE2-CZ 3.24Å; E1674-R1676 IonicContact OE2-NH1 2.69Å; E1674-R1676 PolarHBondContact OE2-NH1 3.24Å; E1674-R1676 IonicContact OE2-NH2 3.33Å; E1674-R1676 PolarHBondContact OE2-NH2 3.46Å; E1674-R1676 VanDerWaalsContact OE2-NH2 3.11Å; R1676-P1717 HydrophobicContact CB-CB 4.26Å; R1676-P1717 HydrophobicContact CG-CB 3.64Å; R1676-P1717 HydrophobicContact CG-CG 4.05Å
1677P88Confident90.8Very high0 Ų049.8 Ų49.80%025%0.253CS..SBendcis-62.6152.53.3-2234.8000113.1E1607 H1629 A1631 H1657 V1675E1607-P1677 HydrophobicContact CG-CG 4.25Å; H1629-P1677 WeakPolarHBondContact ND1-CD 3.31Å; H1629-P1677 WeakPolarHBondContact O-CG 3.38Å; A1631-P1677 HydrophobicContact CB-CB 3.75Å; A1631-P1677 HydrophobicContact CB-CG 4.07Å; H1657-P1677 PolarHBondContact CE1-O 3.31Å; H1657-P1677 VanDerWaalsContact CE1-O 3.3Å; V1675-P1677 CarbonylContact C-O 3.54Å; V1675-P1677 VanDerWaalsContact C-O 3.28Å; V1675-P1677 WeakPolarHBondContact CG1-O 3.34Å; V1675-P1677 CarbonylContact O-C 3.28Å
1678L87.4Confident91.1Very high81 Ų8143.7 Ų43.742%0.42423%0.23SC..PPolyproline II helixtrans-58.9151176.6-77.7167.4000110.7V1675 C1680V1675-L1678 WeakPolarHBondContact O-CA 3.36Å; V1675-L1678 PolarHBondContact O-N 3.49Å; L1678-C1680 PolarHBondContact O-N 2.92Å; L1678-C1680 VanDerWaalsContact O-N 3.1Å; L1678-C1680 PolarHBondContact O-SG 3.05Å
1679L91.1Very high91.4Very high13 Ų1343.4 Ų43.47%0.06823%0.227CC..PPolyproline II helixtrans-54.1121.2167.3-69.4-177.6000109L1660 T1662 V1665 L1668 V1675 F1719L1660-L1679 HydrophobicContact CB-CD1 4.18Å; L1660-L1679 HydrophobicContact CB-CD2 3.86Å; T1662-L1679 WeakPolarHBondContact CG2-O 3.34Å; V1665-L1679 HydrophobicContact CG2-CD1 4.27Å; L1668-L1679 HydrophobicContact CD1-CD1 4.45Å; V1675-L1679 HydrophobicContact CG1-CD2 4.07Å; V1675-L1679 HydrophobicContact CG1-CG 3.86Å; L1679-F1719 HydrophobicContact CD1-CE2 4.49Å; L1679-F1719 HydrophobicContact CD1-CZ 4.44Å; L1679-F1719 HydrophobicContact CD2-CE2 4.11Å; L1679-F1719 HydrophobicContact CG-CE2 4.42Å
1680C89.2Confident91.8Very high16 Ų1648.6 Ų48.611%0.10824%0.243CC..  trans-89.9175.8-173.1-67.20000111.1R1632 S1661 T1662 L1678 D1684R1632-C1680 VanDerWaalsContact CG-SG 3.57Å; S1661-C1680 CarbonylContact C-O 3.57Å; S1661-C1680 WeakPolarHBondContact CA-O 3.47Å; S1661-C1680 WeakPolarHBondContact CB-O 3.17Å; T1662-C1680 PolarHBondContact N-O 3.45Å; L1678-C1680 PolarHBondContact O-N 2.92Å; L1678-C1680 VanDerWaalsContact O-N 3.1Å; L1678-C1680 PolarHBondContact O-SG 3.05Å; C1680-D1684 HydrophobicContact CB-CB 3.52Å; C1680-D1684 WeakPolarHBondContact CB-OD2 3.39Å
1681S93.5Very high92.3Very high38 Ų3841.6 Ų41.627%0.26621%0.211SC..  trans-66159.1-178.870.80000111.2E1683 D1684 Q1685S1681-E1683 PolarHBondContact O-N 2.83Å; S1681-E1683 PolarHBondContact OG-N 3.06Å; S1681-D1684 WeakPolarHBondContact CB-OD2 3.5Å; S1681-D1684 PolarHBondContact N-OD2 2.98Å; S1681-D1684 WeakPolarHBondContact O-CB 3.28Å; S1681-D1684 PolarHBondContact O-N 2.99Å; S1681-D1684 PolarHBondContact OG-N 3.11Å; S1681-D1684 PolarHBondContact OG-OD2 3.2Å; S1681-Q1685 PolarHBondContact O-N 3.14Å
1682P94Very high92.8Very high35 Ų3541.3 Ų41.323%0.22720%0.203CC..Hα-helixtrans-54.5-30.1170-26.634.4000113.4K1663 Q1685 E1686K1663-P1682 HydrophobicContact CD-CB 4.38Å; K1663-P1682 HydrophobicContact CD-CG 3.58Å; K1663-P1682 HydrophobicContact CG-CG 3.71Å; P1682-Q1685 PolarHBondContact O-N 2.9Å; P1682-E1686 WeakPolarHBondContact O-CB 3.47Å; P1682-E1686 PolarHBondContact O-N 3.3Å
1683E95Very high93Very high112 Ų11244.8 Ų44.852%0.52322%0.222SC..Hα-helixtrans-67.3-38.8174.8-173.7-175.5172.500111.8K1633 S1681 A1687K1633-E1683 HydrophobicContact CD-CG 4.2Å; K1633-E1683 IonicContact NZ-OE1 3.95Å; K1633-E1683 PolarHBondContact NZ-OE1 3.45Å; S1681-E1683 PolarHBondContact O-N 2.83Å; S1681-E1683 PolarHBondContact OG-N 3.06Å; E1683-A1687 WeakPolarHBondContact O-CB 3.4Å; E1683-A1687 PolarHBondContact O-N 3.01Å
1684D95Very high93.1Very high31 Ų3147.7 Ų47.717%0.16623%0.232CC..Hα-helixtrans-65.9-43.8173.6-65-65000111.3K1633 C1680 S1681 E1686 A1687 L1688K1633-D1684 WeakPolarHBondContact CB-OD1 3.28Å; K1633-D1684 PolarHBondContact N-OD1 2.79Å; C1680-D1684 HydrophobicContact CB-CB 3.52Å; C1680-D1684 WeakPolarHBondContact CB-OD2 3.39Å; S1681-D1684 WeakPolarHBondContact CB-OD2 3.5Å; S1681-D1684 PolarHBondContact N-OD2 2.98Å; S1681-D1684 WeakPolarHBondContact O-CB 3.28Å; S1681-D1684 PolarHBondContact O-N 2.99Å; S1681-D1684 PolarHBondContact OG-N 3.11Å; S1681-D1684 PolarHBondContact OG-OD2 3.2Å; D1684-E1686 PolarHBondContact O-N 3.27Å; D1684-A1687 WeakPolarHBondContact O-CB 3.49Å; D1684-A1687 PolarHBondContact O-N 3.13Å; D1684-L1688 WeakPolarHBondContact O-CG 3.09Å; D1684-L1688 PolarHBondContact O-N 2.93Å
1685Q95.8Very high93.5Very high39 Ų3945 Ų4518%0.18222%0.22CC..Hα-helixtrans-59.6-45.8176.2179.7-177.657.400111.2L1658 F1659 L1660 S1681 P1682 L1688 W1689L1658-Q1685 WeakPolarHBondContact O-CG 3.29Å; L1658-Q1685 PolarHBondContact O-NE2 2.73Å; F1659-Q1685 VanDerWaalsContact C-NE2 3.25Å; L1660-Q1685 PolarHBondContact O-NE2 3.34Å; S1681-Q1685 PolarHBondContact O-N 3.14Å; P1682-Q1685 PolarHBondContact O-N 2.9Å; Q1685-L1688 WeakPolarHBondContact O-CB 3.43Å; Q1685-L1688 PolarHBondContact O-N 2.74Å; Q1685-W1689 VanDerWaalsContact O-CD1 3.25Å; Q1685-W1689 PolarHBondContact O-N 3.39Å
1686E95.1Very high93.8Very high120 Ų12046.3 Ų46.356%0.56123%0.227SC*.Hα-helixtrans-62-42.5176.1-172.5165.8-148.600111.4P1682 D1684 L1688 W1689 E1690P1682-E1686 WeakPolarHBondContact O-CB 3.47Å; P1682-E1686 PolarHBondContact O-N 3.3Å; D1684-E1686 PolarHBondContact O-N 3.27Å; E1686-L1688 VanDerWaalsContact C-N 3.29Å; E1686-L1688 PolarHBondContact O-N 2.89Å; E1686-W1689 PolarHBondContact O-N 2.97Å; E1686-E1690 HydrophobicContact CG-CG 4.39Å; E1686-E1690 WeakPolarHBondContact O-CG 3.47Å; E1686-E1690 PolarHBondContact O-N 3.4Å
1687A95.7Very high94.4Very high2 Ų242.1 Ų42.12%0.01721%0.211CC..Hα-helixtrans-61.2-33.8175.800000113.3K1633 I1636 E1683 D1684 N1691K1633-A1687 HydrophobicContact CB-CB 3.71Å; K1633-A1687 HydrophobicContact CD-CB 3.97Å; K1633-A1687 HydrophobicContact CG-CB 3.62Å; I1636-A1687 HydrophobicContact CG2-CB 4.44Å; E1683-A1687 WeakPolarHBondContact O-CB 3.4Å; E1683-A1687 PolarHBondContact O-N 3.01Å; D1684-A1687 WeakPolarHBondContact O-CB 3.49Å; D1684-A1687 PolarHBondContact O-N 3.13Å; A1687-N1691 WeakPolarHBondContact O-CB 3.45Å; A1687-N1691 PolarHBondContact O-N 2.98Å; A1687-N1691 VanDerWaalsContact O-N 3.15Å; A1687-N1691 PolarHBondContact O-ND2 3.45Å
1688L96.6Very high94.9Very high0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-65.5-42.2172.9-66.3171.6000111.5V1630 I1636 V1653 H1657 L1658 D1684 Q1685 E1686 N1691 I1692 I1695V1630-L1688 HydrophobicContact CG1-CD2 4.04Å; I1636-L1688 HydrophobicContact CB-CD2 4.18Å; I1636-L1688 HydrophobicContact CG1-CD2 4.48Å; I1636-L1688 HydrophobicContact CG2-CD2 4.34Å; V1653-L1688 HydrophobicContact CG2-CD1 3.89Å; V1653-L1688 HydrophobicContact CG2-CD2 4.18Å; V1653-L1688 HydrophobicContact CG2-CG 4.49Å; H1657-L1688 HydrophobicContact CB-CD1 3.92Å; L1658-L1688 HydrophobicContact CD2-CB 3.87Å; L1658-L1688 HydrophobicContact CD2-CD1 4.5Å; D1684-L1688 WeakPolarHBondContact O-CG 3.09Å; D1684-L1688 PolarHBondContact O-N 2.93Å; Q1685-L1688 WeakPolarHBondContact O-CB 3.43Å; Q1685-L1688 PolarHBondContact O-N 2.74Å; E1686-L1688 VanDerWaalsContact C-N 3.29Å; E1686-L1688 PolarHBondContact O-N 2.89Å; L1688-N1691 CarbonylContact O-C 3.24Å; L1688-N1691 PolarHBondContact O-N 3.38Å; L1688-I1692 PolarHBondContact O-N 3.31Å; L1688-I1692 VanDerWaalsContact O-N 3.1Å; L1688-I1695 HydrophobicContact CB-CD1 4.44Å; L1688-I1695 HydrophobicContact CD2-CD1 4.3Å
1689W96.1Very high95.3Very high24 Ų2438.2 Ų38.29%0.09119%0.191CC..Hα-helixtrans-68.3-42.6177.2-79.3108.5000112.9L1658 F1659 Q1685 E1686 N1691 I1692 A1732 R1737 L1738L1658-W1689 HydrophobicContact CB-CZ2 3.87Å; L1658-W1689 HydrophobicContact CD1-CZ2 4.41Å; L1658-W1689 HydrophobicContact CD2-CD2 4.29Å; L1658-W1689 HydrophobicContact CD2-CZ2 4.44Å; L1658-W1689 HydrophobicContact CG-CZ2 4.48Å; L1658-W1689 PolarHBondContact O-NE1 3.26Å; F1659-W1689 HydrophobicContact CE1-CZ2 4.07Å; F1659-W1689 HydrophobicContact CE2-CZ2 4.43Å; F1659-W1689 HydrophobicContact CZ-CH2 4.19Å; F1659-W1689 AromaticContact CZ-CZ2 3.95Å; F1659-W1689 HydrophobicContact CZ-CZ2 3.95Å; Q1685-W1689 VanDerWaalsContact O-CD1 3.25Å; Q1685-W1689 PolarHBondContact O-N 3.39Å; E1686-W1689 PolarHBondContact O-N 2.97Å; W1689-N1691 PolarHBondContact O-N 3.39Å; W1689-I1692 HydrophobicContact CE3-CD1 4.46Å; W1689-I1692 WeakPolarHBondContact O-CB 3.38Å; W1689-I1692 PolarHBondContact O-N 3.39Å; W1689-A1732 HydrophobicContact CH2-CB 3.82Å; W1689-R1737 HydrophobicContact CE3-CB 4.5Å; W1689-R1737 HydrophobicContact CH2-CB 4.34Å; W1689-R1737 HydrophobicContact CZ3-CB 3.98Å; W1689-L1738 HydrophobicContact CH2-CD1 4.23Å; W1689-L1738 HydrophobicContact CH2-CG 4.13Å; W1689-L1738 HydrophobicContact CZ3-CD1 4.32Å; W1689-L1738 HydrophobicContact CZ3-CD2 3.87Å; W1689-L1738 HydrophobicContact CZ3-CG 3.8Å
1690E95.1Very high95.5Very high139 Ų13937.7 Ų37.765%0.6519%0.188SC*.Hα-helixtrans-62-28.3174.7-72.9-176.4159.100112.7E1686E1686-E1690 HydrophobicContact CG-CG 4.39Å; E1686-E1690 WeakPolarHBondContact O-CG 3.47Å; E1686-E1690 PolarHBondContact O-N 3.4Å
1691N95.9Very high95.7Very high7 Ų737.4 Ų37.44%0.03719%0.185CC..THydrogen-bonded Turntrans-109.424.4-178.8-62.3-88.3000112.2I1636 R1640 A1687 L1688 W1689 D1693 Y1694 I1695I1636-N1691 HydrophobicContact CG1-CB 3.66Å; R1640-N1691 VanDerWaalsContact CD-OD1 3.28Å; R1640-N1691 WeakPolarHBondContact CD-OD1 3.48Å; R1640-N1691 PolarHBondContact NH1-OD1 3.04Å; R1640-N1691 VanDerWaalsContact NH1-OD1 3.15Å; A1687-N1691 WeakPolarHBondContact O-CB 3.45Å; A1687-N1691 PolarHBondContact O-N 2.98Å; A1687-N1691 VanDerWaalsContact O-N 3.15Å; A1687-N1691 PolarHBondContact O-ND2 3.45Å; L1688-N1691 CarbonylContact O-C 3.24Å; L1688-N1691 PolarHBondContact O-N 3.38Å; W1689-N1691 PolarHBondContact O-N 3.39Å; N1691-D1693 PolarHBondContact O-N 3.28Å; N1691-D1693 VanDerWaalsContact O-N 3.14Å; N1691-Y1694 HydrophobicContact CB-CD2 4.22Å; N1691-Y1694 PolarHBondContact O-N 3.09Å; N1691-I1695 PolarHBondContact O-N 2.75Å
1692I95.7Very high95.8Very high21 Ų2135.7 Ų35.711%0.10817%0.173CC..G310 helixtrans-56.8-31.3-178.5-160.964.7000112.6L1658 L1688 W1689 Y1694 I1695 F1698 L1738 K1746L1658-I1692 HydrophobicContact CD2-CD1 4.47Å; L1688-I1692 PolarHBondContact O-N 3.31Å; L1688-I1692 VanDerWaalsContact O-N 3.1Å; W1689-I1692 HydrophobicContact CE3-CD1 4.46Å; W1689-I1692 WeakPolarHBondContact O-CB 3.38Å; W1689-I1692 PolarHBondContact O-N 3.39Å; I1692-Y1694 VanDerWaalsContact C-N 3.28Å; I1692-Y1694 PolarHBondContact O-N 3.09Å; I1692-I1695 HydrophobicContact CD1-CD1 4.12Å; I1692-I1695 PolarHBondContact O-N 3Å; I1692-F1698 HydrophobicContact CD1-CE1 3.92Å; I1692-F1698 HydrophobicContact CD1-CZ 4.03Å; I1692-L1738 HydrophobicContact CD1-CD2 4.48Å; I1692-L1738 HydrophobicContact CG1-CD2 3.93Å; I1692-K1746 WeakPolarHBondContact O-CE 3.43Å; I1692-K1746 PolarHBondContact O-NZ 3.48Å
1693D94.2Very high95.7Very high109 Ų10934.1 Ų34.158%0.58316%0.163SC*.G310 helixtrans-66.1-28.2175.9-78.4-39.3000113.7N1691 I1695 R1745N1691-D1693 PolarHBondContact O-N 3.28Å; N1691-D1693 VanDerWaalsContact O-N 3.14Å; D1693-I1695 VanDerWaalsContact C-N 3.34Å; D1693-R1745 IonicContact OD1-NH2 2.86Å; D1693-R1745 PolarHBondContact OD1-NH2 2.91Å
1694Y95.6Very high95.5Very high70 Ų7028.8 Ų28.828%0.27514%0.138SC..G310 helixtrans-87.1-3.4176.4-62.9-81.8000113R1640 K1643 E1644 N1691 I1692R1640-Y1694 HydrophobicContact CB-CD1 4.14Å; R1640-Y1694 HydrophobicContact CB-CD2 4.33Å; R1640-Y1694 HydrophobicContact CB-CG 4.04Å; R1640-Y1694 HydrophobicContact CG-CD1 3.91Å; R1640-Y1694 HydrophobicContact CG-CD2 4.01Å; R1640-Y1694 HydrophobicContact CG-CE1 3.81Å; R1640-Y1694 HydrophobicContact CG-CE2 3.92Å; R1640-Y1694 HydrophobicContact CG-CG 4.01Å; K1643-Y1694 HydrophobicContact CD-CD1 4.45Å; K1643-Y1694 PolarHBondContact NZ-O 3.4Å; E1644-Y1694 HydrophobicContact CG-CE1 4.13Å; E1644-Y1694 PolarHBondContact OE1-OH 3.33Å; N1691-Y1694 HydrophobicContact CB-CD2 4.22Å; N1691-Y1694 PolarHBondContact O-N 3.09Å; I1692-Y1694 VanDerWaalsContact C-N 3.28Å; I1692-Y1694 PolarHBondContact O-N 3.09Å
1695I97.3Very high95.4Very high0 Ų027.3 Ų27.30%013%0.131CC..  trans-89.7126.8172.4-65.9170000108.7I1636 V1653 L1688 N1691 I1692 D1693 K1746I1636-I1695 HydrophobicContact CD1-CD1 4.37Å; I1636-I1695 HydrophobicContact CD1-CG1 3.73Å; V1653-I1695 HydrophobicContact CB-CD1 3.94Å; V1653-I1695 HydrophobicContact CB-CG2 3.97Å; V1653-I1695 HydrophobicContact CG1-CD1 3.98Å; V1653-I1695 HydrophobicContact CG1-CG2 3.6Å; V1653-I1695 HydrophobicContact CG2-CD1 4.3Å; L1688-I1695 HydrophobicContact CB-CD1 4.44Å; L1688-I1695 HydrophobicContact CD2-CD1 4.3Å; N1691-I1695 PolarHBondContact O-N 2.75Å; I1692-I1695 HydrophobicContact CD1-CD1 4.12Å; I1692-I1695 PolarHBondContact O-N 3Å; D1693-I1695 VanDerWaalsContact C-N 3.34Å; I1695-K1746 PolarHBondContact O-NZ 3.47Å
1696D97.8Very high95.1Very high27 Ų2726.8 Ų26.814%0.14413%0.13CC..  trans-90.8-36.6-176.4-50.2-66.1000112.7K1643 T1650 C1651 K1746 N1750 I1754K1643-D1696 WeakPolarHBondContact CE-OD2 3.34Å; K1643-D1696 IonicContact NZ-OD1 2.83Å; K1643-D1696 PolarHBondContact NZ-OD1 2.62Å; K1643-D1696 IonicContact NZ-OD2 2.67Å; K1643-D1696 PolarHBondContact NZ-OD2 2.57Å; T1650-D1696 WeakPolarHBondContact CA-OD2 3.4Å; T1650-D1696 WeakPolarHBondContact CB-OD2 3.34Å; C1651-D1696 PolarHBondContact N-OD2 2.95Å; C1651-D1696 PolarHBondContact O-N 3.4Å; C1651-D1696 VanDerWaalsContact O-N 3.13Å; D1696-K1746 VanDerWaalsContact O-CA 3.32Å; D1696-K1746 WeakPolarHBondContact O-CA 3.28Å; D1696-N1750 WeakPolarHBondContact O-CB 3.27Å; D1696-N1750 PolarHBondContact O-ND2 3.15Å; D1696-I1754 HydrophobicContact CB-CD1 3.7Å
1697V98Very high94.8Very high0 Ų023.8 Ų23.80%012%0.118CC..EExtended strand (participates in β ladder)trans-131137.9-169177.50000111.8V1485 C1651 E1652 V1653 A1699 K1746 N1750 P1751 I1754V1485-V1697 HydrophobicContact CG2-CG1 3.58Å; C1651-V1697 PolarHBondContact O-N 3.46Å; C1651-V1697 VanDerWaalsContact O-N 3.11Å; E1652-V1697 CarbonylContact C-O 3.55Å; E1652-V1697 WeakPolarHBondContact CA-O 3.34Å; E1652-V1697 HydrophobicContact CB-CB 3.85Å; E1652-V1697 HydrophobicContact CB-CG1 4.06Å; E1652-V1697 WeakPolarHBondContact CB-O 3.22Å; V1653-V1697 PolarHBondContact N-O 2.74Å; V1697-A1699 HydrophobicContact CG1-CB 4.35Å; V1697-K1746 VanDerWaalsContact CA-O 3.28Å; V1697-K1746 WeakPolarHBondContact CA-O 3.19Å; V1697-N1750 HydrophobicContact CG2-CB 4.41Å; V1697-P1751 HydrophobicContact CG1-CG 3.9Å; V1697-P1751 HydrophobicContact CG2-CG 4.04Å; V1697-I1754 HydrophobicContact CG2-CD1 3.74Å
1698F97.9Very high94.4Very high0 Ų027.4 Ų27.40%015%0.147CC..EExtended strand (participates in β ladder)trans-92.5123.9159.4-62.3-53.4000108.6V1653 L1658 I1692 I1725 L1729 L1738 K1746 F1747V1653-F1698 HydrophobicContact CG1-CD1 3.55Å; V1653-F1698 HydrophobicContact CG1-CE1 3.76Å; L1658-F1698 HydrophobicContact CD1-CD1 4.14Å; L1658-F1698 HydrophobicContact CD1-CE1 3.7Å; I1692-F1698 HydrophobicContact CD1-CE1 3.92Å; I1692-F1698 HydrophobicContact CD1-CZ 4.03Å; F1698-I1725 HydrophobicContact CB-CD1 4.05Å; F1698-L1729 HydrophobicContact CB-CD1 4.44Å; F1698-L1729 HydrophobicContact CD1-CD2 4.37Å; F1698-L1729 HydrophobicContact CD2-CD1 3.73Å; F1698-L1729 HydrophobicContact CD2-CD2 3.98Å; F1698-L1729 HydrophobicContact CE1-CD2 4.27Å; F1698-L1729 HydrophobicContact CE2-CD1 4.24Å; F1698-L1729 HydrophobicContact CE2-CD2 3.85Å; F1698-L1729 HydrophobicContact CG-CD1 4.2Å; F1698-L1729 HydrophobicContact CG-CD2 4.25Å; F1698-L1729 HydrophobicContact CZ-CD2 4.01Å; F1698-L1738 HydrophobicContact CE2-CD1 4.41Å; F1698-L1738 HydrophobicContact CZ-CD1 4.17Å; F1698-L1738 HydrophobicContact CZ-CD2 4.4Å; F1698-K1746 HydrophobicContact CD2-CB 3.69Å; F1698-K1746 HydrophobicContact CE1-CD 4.39Å; F1698-K1746 HydrophobicContact CE2-CB 3.67Å; F1698-K1746 HydrophobicContact CE2-CD 3.74Å; F1698-K1746 HydrophobicContact CE2-CG 4.37Å; F1698-K1746 HydrophobicContact CG-CB 4.38Å; F1698-K1746 HydrophobicContact CZ-CB 4.34Å; F1698-K1746 HydrophobicContact CZ-CD 3.67Å; F1698-K1746 PolarHBondContact N-O 3.36Å; F1698-K1746 VanDerWaalsContact N-O 3.13Å; F1698-F1747 HydrophobicContact CB-CD2 4.15Å; F1698-F1747 HydrophobicContact CB-CG 4.47Å; F1698-F1747 HydrophobicContact CD2-CB 4.28Å; F1698-F1747 WeakPolarHBondContact O-CD2 3.48Å
1699A96.7Very high94.1Very high0 Ų029.4 Ų29.40%016%0.157CC..  trans-134.9141.2178.200000108.8V1485 H1486 E1652 V1653 C1654 P1655 V1697V1485-A1699 HydrophobicContact CG2-CB 3.77Å; H1486-A1699 HydrophobicContact CB-CB 3.84Å; E1652-A1699 HydrophobicContact CB-CB 3.9Å; E1652-A1699 VanDerWaalsContact CD-CB 3.48Å; E1652-A1699 HydrophobicContact CG-CB 3.94Å; E1652-A1699 WeakPolarHBondContact OE2-CB 3.35Å; V1653-A1699 PolarHBondContact O-N 2.68Å; C1654-A1699 VanDerWaalsContact CA-O 3.25Å; C1654-A1699 WeakPolarHBondContact CA-O 3.37Å; C1654-A1699 PolarHBondContact SG-O 2.85Å; P1655-A1699 WeakPolarHBondContact CD-O 3.34Å; V1697-A1699 HydrophobicContact CG1-CB 4.35Å
1700T95Very high93.9Very high1 Ų128.4 Ų28.41%0.00615%0.153CC..  trans-82-24.1-169.9590000114.9D1484 H1656 H1702 I1725D1484-T1700 PolarHBondContact OD1-N 3.3Å; D1484-T1700 VanDerWaalsContact OD1-N 3.16Å; D1484-T1700 VanDerWaalsContact OD2-CB 3.26Å; D1484-T1700 WeakPolarHBondContact OD2-CB 3.37Å; D1484-T1700 WeakPolarHBondContact OD2-CG2 3.42Å; D1484-T1700 PolarHBondContact OD2-N 2.96Å; D1484-T1700 PolarHBondContact OD2-OG1 2.83Å; H1656-T1700 PolarHBondContact CE1-O 2.84Å; T1700-H1702 PolarHBondContact O-N 2.95Å; T1700-H1702 WeakPolarHBondContact OG1-CB 3.43Å; T1700-H1702 PolarHBondContact OG1-N 2.89Å; T1700-I1725 HydrophobicContact CG2-CB 3.54Å; T1700-I1725 HydrophobicContact CG2-CD1 3.43Å; T1700-I1725 VanDerWaalsContact CG2-CD1 3.43Å; T1700-I1725 HydrophobicContact CG2-CG1 4.04Å; T1700-I1725 HydrophobicContact CG2-CG2 3.74Å
1701D93.7Very high93.7Very high11 Ų1130.5 Ų30.56%0.05916%0.155CC..  trans48.745.6-161.7-174.936.9000110.3H1486 H1488 C1654 A1703H1486-D1701 IonicContact CD2-OD1 3.66Å; H1486-D1701 PolarHBondContact CD2-OD1 2.71Å; H1486-D1701 IonicContact CE1-OD1 2.92Å; H1486-D1701 IonicContact NE2-OD1 3.55Å; H1486-D1701 PolarHBondContact NE2-OD1 3.08Å; H1486-D1701 WeakPolarHBondContact O-CA 3.05Å; H1486-D1701 PolarHBondContact O-N 3.01Å; H1488-D1701 IonicContact CD2-OD1 2.64Å; H1488-D1701 IonicContact NE2-OD1 3.59Å; H1488-D1701 PolarHBondContact NE2-OD1 3.12Å; C1654-D1701 VanDerWaalsContact SG-CB 3.56Å; D1701-A1703 PolarHBondContact O-N 3.08Å
1702H94.9Very high93.4Very high1 Ų132.7 Ų32.71%0.00517%0.171CC..BIsolated β-bridgetrans-61.2109.3-175169.488.9000109.9H1486 V1487 H1488 E1498 T1700 P1720 G1721 V1722H1486-H1702 PolarHBondContact O-N 3.34Å; V1487-H1702 HydrophobicContact CG1-CB 4.24Å; H1488-H1702 VanDerWaalsContact CB-O 3.25Å; H1488-H1702 WeakPolarHBondContact CB-O 3.42Å; H1488-H1702 PolarHBondContact CD2-O 3.35Å; H1488-H1702 PolarHBondContact N-O 3.47Å; E1498-H1702 IonicContact OE2-CE1 3.96Å; E1498-H1702 IonicContact OE2-NE2 2.71Å; E1498-H1702 PolarHBondContact OE2-NE2 3.01Å; T1700-H1702 PolarHBondContact O-N 2.95Å; T1700-H1702 WeakPolarHBondContact OG1-CB 3.43Å; T1700-H1702 PolarHBondContact OG1-N 2.89Å; H1702-P1720 WeakPolarHBondContact ND1-CA 3.47Å; H1702-G1721 PolarHBondContact ND1-N 3.04Å; H1702-V1722 HydrophobicContact CB-CB 3.98Å; H1702-V1722 PolarHBondContact ND1-N 3.28Å
1703A93Very high92.9Very high3 Ų341 Ų413%0.02521%0.209CC..  trans-11995.5-178.700000109.6D1701 H1705 F1719D1701-A1703 PolarHBondContact O-N 3.08Å; A1703-H1705 VanDerWaalsContact C-N 3.32Å; A1703-H1705 PolarHBondContact O-N 2.89Å; A1703-F1719 PolarHBondContact N-O 2.92Å; A1703-F1719 CarbonylContact O-C 3.52Å; A1703-F1719 VanDerWaalsContact O-C 3.31Å
1704P91.3Very high92.6Very high0 Ų046.5 Ų46.50%022%0.222CC..  trans-83.764.4-167.230.9-34.3000112.9H1488 R1490 K1497 E1498H1488-P1704 VanDerWaalsContact O-CD 3.25Å; H1488-P1704 WeakPolarHBondContact O-CD 3.44Å; H1488-P1704 WeakPolarHBondContact O-CG 3.17Å; R1490-P1704 HydrophobicContact CG-CG 4.1Å; K1497-P1704 WeakPolarHBondContact CB-O 3.45Å; E1498-P1704 HydrophobicContact CB-CB 3.78Å; E1498-P1704 HydrophobicContact CB-CG 3.27Å; E1498-P1704 HydrophobicContact CG-CB 4.21Å; E1498-P1704 HydrophobicContact CG-CG 3.89Å
1705H91.5Very high92.3Very high0 Ų044.5 Ų44.50%022%0.217CC..  trans-73.1141.2172.6-59.5-66.3000110.7K1497 A1703 E1709 K1710 P1716 P1717 S1784 W1786K1497-H1705 PolarHBondContact NZ-ND1 3.16Å; K1497-H1705 VanDerWaalsContact NZ-ND1 3.15Å; A1703-H1705 VanDerWaalsContact C-N 3.32Å; A1703-H1705 PolarHBondContact O-N 2.89Å; H1705-E1709 IonicContact ND1-OE2 3.5Å; H1705-K1710 HydrophobicContact CB-CD 4.14Å; H1705-K1710 HydrophobicContact CB-CG 3.95Å; H1705-P1716 HydrophobicContact CB-CG 3.89Å; H1705-P1716 WeakPolarHBondContact ND1-CG 3.5Å; H1705-P1717 PolarHBondContact CD2-O 2.99Å; H1705-P1717 PolarHBondContact NE2-O 3.1Å; H1705-S1784 WeakPolarHBondContact O-CB 3.45Å; H1705-W1786 PolarHBondContact O-NE1 3.42Å
1706T90.2Very high91.9Very high28 Ų2844.9 Ų44.917%0.17222%0.22CC..  trans-68.3154.5178.764.50000111A1708 E1709 K1710T1706-A1708 PolarHBondContact O-N 3.46Å; T1706-E1709 PolarHBondContact N-OE2 3.22Å; T1706-E1709 PolarHBondContact O-N 3.48Å; T1706-E1709 VanDerWaalsContact O-N 3.09Å; T1706-E1709 WeakPolarHBondContact OG1-CG 3.3Å; T1706-E1709 PolarHBondContact OG1-N 3.2Å; T1706-E1709 PolarHBondContact OG1-OE2 2.89Å; T1706-K1710 PolarHBondContact O-N 3.05Å
1707L88Confident91.5Very high57 Ų5744.9 Ų44.930%0.29822%0.221SC..Hα-helixtrans-58.1-33.6176.3-172.464.5000112.2M1672 K1710 R1711 W1786M1672-L1707 HydrophobicContact CE-CD1 3.66Å; M1672-L1707 HydrophobicContact SD-CD1 4.25Å; L1707-K1710 PolarHBondContact O-N 3.23Å; L1707-R1711 WeakPolarHBondContact O-CB 3.48Å; L1707-R1711 WeakPolarHBondContact O-CG 3.39Å; L1707-R1711 PolarHBondContact O-N 2.94Å; L1707-R1711 VanDerWaalsContact O-N 3.1Å; L1707-W1786 HydrophobicContact CB-CG 4.44Å; L1707-W1786 HydrophobicContact CD1-CB 4.06Å; L1707-W1786 HydrophobicContact CD1-CD2 4.32Å; L1707-W1786 HydrophobicContact CD1-CG 3.93Å
1708A88.6Confident91.1Very high77 Ų7745 Ų4564%0.63622%0.222SC*.Hα-helixtrans-64.9-43.4175.300000112.2T1706 R1711 S1712T1706-A1708 PolarHBondContact O-N 3.46Å; A1708-R1711 PolarHBondContact O-N 3.35Å; A1708-S1712 PolarHBondContact O-N 2.79Å; A1708-S1712 VanDerWaalsContact O-N 3.17Å
1709E90.3Very high90.9Very high43 Ų4345 Ų4520%0.20122%0.223CC..Hα-helixtrans-63.9-41.8176.3-72.9172144.800111.5H1496 K1497 H1705 T1706 R1711 S1712 P1716H1496-E1709 IonicContact NE2-OE1 2.64Å; K1497-E1709 WeakPolarHBondContact CE-OE1 3.47Å; K1497-E1709 IonicContact NZ-OE1 2.7Å; K1497-E1709 PolarHBondContact NZ-OE1 2.9Å; K1497-E1709 IonicContact NZ-OE2 2.8Å; K1497-E1709 PolarHBondContact NZ-OE2 2.7Å; H1705-E1709 IonicContact ND1-OE2 3.5Å; T1706-E1709 PolarHBondContact N-OE2 3.22Å; T1706-E1709 PolarHBondContact O-N 3.48Å; T1706-E1709 VanDerWaalsContact O-N 3.09Å; T1706-E1709 WeakPolarHBondContact OG1-CG 3.3Å; T1706-E1709 PolarHBondContact OG1-N 3.2Å; T1706-E1709 PolarHBondContact OG1-OE2 2.89Å; E1709-R1711 VanDerWaalsContact C-N 3.26Å; E1709-R1711 PolarHBondContact O-N 2.84Å; E1709-S1712 VanDerWaalsContact O-CB 3.3Å; E1709-S1712 WeakPolarHBondContact O-CB 3.43Å; E1709-S1712 PolarHBondContact O-N 2.82Å; E1709-S1712 VanDerWaalsContact O-N 3.16Å; E1709-S1712 PolarHBondContact O-OG 3.36Å; E1709-P1716 HydrophobicContact CB-CG 3.97Å; E1709-P1716 VanDerWaalsContact O-CD 3.27Å; E1709-P1716 WeakPolarHBondContact O-CD 3.46Å
1710K90.9Very high90.7Very high2 Ų245 Ų451%0.00922%0.223CC..Hα-helixtrans-70.8-19.1179.5-70.8-72.5-56.8178.30114.3G1671 M1672 E1674 H1705 T1706 L1707 P1715 P1716 W1786G1671-K1710 PolarHBondContact O-NZ 2.84Å; M1672-K1710 HydrophobicContact CE-CB 4.36Å; M1672-K1710 WeakPolarHBondContact O-CE 3.45Å; M1672-K1710 PolarHBondContact O-NZ 2.83Å; M1672-K1710 HydrophobicContact SD-CB 3.68Å; E1674-K1710 PolarHBondContact O-NZ 2.87Å; H1705-K1710 HydrophobicContact CB-CD 4.14Å; H1705-K1710 HydrophobicContact CB-CG 3.95Å; T1706-K1710 PolarHBondContact O-N 3.05Å; L1707-K1710 PolarHBondContact O-N 3.23Å; K1710-P1715 WeakPolarHBondContact O-CB 3.44Å; K1710-P1716 HydrophobicContact CD-CG 4.48Å; K1710-P1716 WeakPolarHBondContact CD-O 3.38Å; K1710-P1716 PolarHBondContact NZ-O 2.94Å; K1710-W1786 HydrophobicContact CB-CZ2 4.28Å; K1710-W1786 HydrophobicContact CD-CH2 4.28Å; K1710-W1786 HydrophobicContact CD-CZ2 3.83Å; K1710-W1786 HydrophobicContact CG-CH2 4.22Å; K1710-W1786 HydrophobicContact CG-CZ2 3.46Å; K1710-W1786 VanDerWaalsContact CG-CZ2 3.46Å
1711R90.3Very high90.6Very high184 Ų18445.3 Ų45.369%0.69423%0.225SC*.THydrogen-bonded Turntrans-96.5-0.9172.4-69.6178176.8179.8-0.2113.7M1672 L1707 A1708 E1709M1672-R1711 HydrophobicContact SD-CG 4.14Å; L1707-R1711 WeakPolarHBondContact O-CB 3.48Å; L1707-R1711 WeakPolarHBondContact O-CG 3.39Å; L1707-R1711 PolarHBondContact O-N 2.94Å; L1707-R1711 VanDerWaalsContact O-N 3.1Å; A1708-R1711 PolarHBondContact O-N 3.35Å; E1709-R1711 VanDerWaalsContact C-N 3.26Å; E1709-R1711 PolarHBondContact O-N 2.84Å
1712S90Very high90.7Very high53 Ų5344.8 Ų44.837%0.37122%0.222SC..SBendtrans-70.9166.8178.474.10000112.2A1708 E1709 R1714 P1715A1708-S1712 PolarHBondContact O-N 2.79Å; A1708-S1712 VanDerWaalsContact O-N 3.17Å; E1709-S1712 VanDerWaalsContact O-CB 3.3Å; E1709-S1712 WeakPolarHBondContact O-CB 3.43Å; E1709-S1712 PolarHBondContact O-N 2.82Å; E1709-S1712 VanDerWaalsContact O-N 3.16Å; E1709-S1712 PolarHBondContact O-OG 3.36Å; S1712-R1714 PolarHBondContact O-N 2.86Å; S1712-R1714 PolarHBondContact OG-N 3.3Å; S1712-R1714 PolarHBondContact OG-O 2.84Å; S1712-P1715 WeakPolarHBondContact O-CD 3.37Å
1713E86.1Confident90.6Very high194 Ų19445.7 Ų45.791%0.90723%0.227SC*.SBendtrans-60-23.9175.9-67.6-173.5169.800113.5
1714R87.2Confident90.7Very high226 Ų22645.8 Ų45.885%0.85323%0.227SC*.SBendtrans-126.873.8177.8-64.7-174.5-174.3-177.42109.8S1712S1712-R1714 PolarHBondContact O-N 2.86Å; S1712-R1714 PolarHBondContact OG-N 3.3Å; S1712-R1714 PolarHBondContact OG-O 2.84Å
1715P89.2Confident90.9Very high27 Ų2745.8 Ų45.818%0.17523%0.227CC..PPolyproline II helixtrans-65.6127.8-173.822.9-26.8000110.6G1671 E1674 K1710 S1712G1671-P1715 VanDerWaalsContact CA-CG 3.45Å; G1671-P1715 WeakPolarHBondContact O-CB 3.49Å; E1674-P1715 HydrophobicContact CG-CB 4.49Å; E1674-P1715 HydrophobicContact CG-CG 3.98Å; K1710-P1715 WeakPolarHBondContact O-CB 3.44Å; S1712-P1715 WeakPolarHBondContact O-CD 3.37Å
1716P88.9Confident91.1Very high9 Ų945.8 Ų45.86%0.05823%0.227CC..PPolyproline II helixtrans-71.6149.1-178.130.7-36000111.1F1578 H1705 E1709 K1710F1578-P1716 HydrophobicContact CD2-CB 4.49Å; F1578-P1716 HydrophobicContact CE2-CB 3.91Å; F1578-P1716 HydrophobicContact CZ-CB 4.02Å; H1705-P1716 HydrophobicContact CB-CG 3.89Å; H1705-P1716 WeakPolarHBondContact ND1-CG 3.5Å; E1709-P1716 HydrophobicContact CB-CG 3.97Å; E1709-P1716 VanDerWaalsContact O-CD 3.27Å; E1709-P1716 WeakPolarHBondContact O-CD 3.46Å; K1710-P1716 HydrophobicContact CD-CG 4.48Å; K1710-P1716 WeakPolarHBondContact CD-O 3.38Å; K1710-P1716 PolarHBondContact NZ-O 2.94Å
1717P88.9Confident91.3Very high26 Ų2644.6 Ų44.617%0.16922%0.22CC..SBendtrans-77.1135.5179.530.3-33.6000112F1578 E1674 R1676 H1705F1578-P1717 HydrophobicContact CB-CG 4.19Å; F1578-P1717 HydrophobicContact CD2-CG 4.12Å; F1578-P1717 HydrophobicContact CG-CG 4.47Å; E1674-P1717 WeakPolarHBondContact O-CA 3.32Å; R1676-P1717 HydrophobicContact CB-CB 4.26Å; R1676-P1717 HydrophobicContact CG-CB 3.64Å; R1676-P1717 HydrophobicContact CG-CG 4.05Å; H1705-P1717 PolarHBondContact CD2-O 2.99Å; H1705-P1717 PolarHBondContact NE2-O 3.1Å
1718G90.3Very high91.7Very high3 Ų342.1 Ų42.13%0.03121%0.207CC..  trans135.3155.5171.600000113.2E1674E1674-G1718 PolarHBondContact O-N 3.18Å
1719F93.6Very high92.1Very high1 Ų138.4 Ų38.40%0.00418%0.176CC..BIsolated β-bridgetrans-123.4141.5178-61.9-33.6000112.9H1656 L1660 M1672 V1675 L1679 A1703 G1721 W1786 P1788H1656-F1719 HydrophobicContact CB-CD2 3.75Å; H1656-F1719 HydrophobicContact CB-CE2 4.2Å; H1656-F1719 AromaticContact CG-CD2 3.76Å; L1660-F1719 HydrophobicContact CD1-CE2 4.25Å; M1672-F1719 VanDerWaalsContact O-CE1 3.22Å; M1672-F1719 WeakPolarHBondContact O-CE1 3.21Å; V1675-F1719 HydrophobicContact CB-CD2 4.16Å; V1675-F1719 HydrophobicContact CB-CE1 4.17Å; V1675-F1719 HydrophobicContact CB-CE2 3.79Å; V1675-F1719 HydrophobicContact CB-CZ 3.79Å; V1675-F1719 HydrophobicContact CG1-CD2 4.4Å; V1675-F1719 HydrophobicContact CG1-CE2 3.63Å; V1675-F1719 HydrophobicContact CG1-CZ 3.72Å; V1675-F1719 HydrophobicContact CG2-CD2 4.13Å; V1675-F1719 HydrophobicContact CG2-CE2 4.18Å; L1679-F1719 HydrophobicContact CD1-CE2 4.49Å; L1679-F1719 HydrophobicContact CD1-CZ 4.44Å; L1679-F1719 HydrophobicContact CD2-CE2 4.11Å; L1679-F1719 HydrophobicContact CG-CE2 4.42Å; A1703-F1719 PolarHBondContact N-O 2.92Å; A1703-F1719 CarbonylContact O-C 3.52Å; A1703-F1719 VanDerWaalsContact O-C 3.31Å; F1719-G1721 PolarHBondContact O-N 2.98Å; F1719-W1786 AromaticContact CD1-CH2 3.82Å; F1719-W1786 HydrophobicContact CD1-CH2 3.82Å; F1719-W1786 HydrophobicContact CE1-CH2 4.28Å; F1719-P1788 HydrophobicContact CB-CG 4.01Å; F1719-P1788 HydrophobicContact CD1-CB 4.47Å; F1719-P1788 HydrophobicContact CD1-CG 4.21Å; F1719-P1788 HydrophobicContact CD2-CB 4.47Å; F1719-P1788 HydrophobicContact CD2-CG 3.89Å; F1719-P1788 HydrophobicContact CE2-CG 4.41Å; F1719-P1788 HydrophobicContact CG-CB 4.44Å; F1719-P1788 HydrophobicContact CG-CG 3.78Å
1720P93.3Very high92.3Very high0 Ų036.6 Ų36.60%017%0.168CC..  trans-73115.2164.329.4-32.6000110.1H1702 S1784 W1786 T1787H1702-P1720 WeakPolarHBondContact ND1-CA 3.47Å; P1720-S1784 WeakPolarHBondContact CB-OG 3.33Å; P1720-S1784 WeakPolarHBondContact CG-OG 3.33Å; P1720-W1786 HydrophobicContact CG-CD2 4.45Å; P1720-W1786 HydrophobicContact CG-CZ2 4.3Å; P1720-W1786 WeakPolarHBondContact CG-O 3.38Å; P1720-T1787 PolarHBondContact O-OG1 2.77Å
1721G93.3Very high92.5Very high6 Ų638 Ų386%0.06217%0.174CC..  trans-128.1-11.8-176.300000117.4H1702 F1719 E1723 T1724 I1725H1702-G1721 PolarHBondContact ND1-N 3.04Å; F1719-G1721 PolarHBondContact O-N 2.98Å; G1721-E1723 VanDerWaalsContact C-N 3.26Å; G1721-E1723 PolarHBondContact O-N 3.06Å; G1721-T1724 PolarHBondContact O-N 3.42Å; G1721-T1724 PolarHBondContact O-OG1 3.28Å; G1721-I1725 PolarHBondContact O-N 2.92Å; G1721-I1725 VanDerWaalsContact O-N 3.08Å
1722V94.9Very high92.7Very high0 Ų029.2 Ų29.20%014%0.141CC..THydrogen-bonded Turntrans-59-32.1-172.879.70000114.1V1487 A1506 A1507 V1512 H1702 I1725V1487-V1722 HydrophobicContact CG2-CG2 4.47Å; A1506-V1722 HydrophobicContact CB-CG1 3.49Å; A1506-V1722 VanDerWaalsContact CB-CG1 3.49Å; A1507-V1722 HydrophobicContact CB-CG2 3.91Å; V1512-V1722 HydrophobicContact CG2-CG2 4.37Å; H1702-V1722 HydrophobicContact CB-CB 3.98Å; H1702-V1722 PolarHBondContact ND1-N 3.28Å; V1722-I1725 WeakPolarHBondContact O-CG2 3.4Å
1723E93.9Very high92.9Very high21 Ų2128.5 Ų28.510%0.09813%0.134CC..THydrogen-bonded Turntrans-81.4-27.6177.2-76.5178.8-143.200113.7A1506 A1509 G1721 M1780 K1781 S1782A1506-E1723 VanDerWaalsContact CA-OE1 3.3Å; A1506-E1723 WeakPolarHBondContact CA-OE1 3.48Å; A1506-E1723 HydrophobicContact CB-CG 3.79Å; A1506-E1723 WeakPolarHBondContact CB-OE1 3.45Å; A1506-E1723 WeakPolarHBondContact O-CG 3.44Å; A1509-E1723 HydrophobicContact CB-CG 4.07Å; G1721-E1723 VanDerWaalsContact C-N 3.26Å; G1721-E1723 PolarHBondContact O-N 3.06Å; E1723-M1780 HydrophobicContact CB-CE 3.85Å; E1723-M1780 HydrophobicContact CG-CE 4.35Å; E1723-M1780 WeakPolarHBondContact OE2-CA 3.15Å; E1723-M1780 VanDerWaalsContact OE2-CB 3.29Å; E1723-M1780 WeakPolarHBondContact OE2-CB 3.38Å; E1723-M1780 WeakPolarHBondContact OE2-CG 3.47Å; E1723-K1781 WeakPolarHBondContact OE1-CA 3.37Å; E1723-K1781 WeakPolarHBondContact OE1-CB 3.43Å; E1723-K1781 PolarHBondContact OE1-N 2.83Å; E1723-K1781 PolarHBondContact OE2-N 2.87Å; E1723-S1782 PolarHBondContact OE1-N 3.21Å
1724T93.9Very high93.2Very high5 Ų524.5 Ų24.53%0.03112%0.116CC..THydrogen-bonded Turntrans-98.5-14.6-17052.80000113.6G1721 L1726 P1727 L1728 I1775 T1787G1721-T1724 PolarHBondContact O-N 3.42Å; G1721-T1724 PolarHBondContact O-OG1 3.28Å; T1724-L1726 PolarHBondContact O-N 2.96Å; T1724-P1727 WeakPolarHBondContact O-CD 3.36Å; T1724-L1728 WeakPolarHBondContact O-CB 3.04Å; T1724-L1728 WeakPolarHBondContact O-CD1 3.45Å; T1724-L1728 WeakPolarHBondContact O-CG 3.4Å; T1724-L1728 PolarHBondContact O-N 2.85Å; T1724-L1728 VanDerWaalsContact O-N 3.09Å; T1724-I1775 HydrophobicContact CG2-CD1 4.25Å; T1724-I1775 HydrophobicContact CG2-CG2 3.81Å; T1724-T1787 HydrophobicContact CG2-CG2 4.15Å
1725I95.9Very high93.4Very high0 Ų018.7 Ų18.70%010%0.098CC..Hα-helixtrans-53.9-56-179.3-179160000113.4V1512 P1655 F1698 T1700 G1721 V1722 L1728 L1729 F1747V1512-I1725 HydrophobicContact CG2-CG2 4.48Å; P1655-I1725 HydrophobicContact CG-CB 3.95Å; P1655-I1725 HydrophobicContact CG-CD1 3.59Å; P1655-I1725 HydrophobicContact CG-CG1 3.51Å; F1698-I1725 HydrophobicContact CB-CD1 4.05Å; T1700-I1725 HydrophobicContact CG2-CB 3.54Å; T1700-I1725 HydrophobicContact CG2-CD1 3.43Å; T1700-I1725 VanDerWaalsContact CG2-CD1 3.43Å; T1700-I1725 HydrophobicContact CG2-CG1 4.04Å; T1700-I1725 HydrophobicContact CG2-CG2 3.74Å; G1721-I1725 PolarHBondContact O-N 2.92Å; G1721-I1725 VanDerWaalsContact O-N 3.08Å; V1722-I1725 WeakPolarHBondContact O-CG2 3.4Å; I1725-L1728 PolarHBondContact O-N 2.7Å; I1725-L1729 HydrophobicContact CG1-CD1 3.84Å; I1725-L1729 HydrophobicContact CG1-CG 4.32Å; I1725-L1729 VanDerWaalsContact O-CG 3.27Å; I1725-L1729 WeakPolarHBondContact O-CG 3.23Å; I1725-L1729 PolarHBondContact O-N 3.47Å; I1725-F1747 HydrophobicContact CB-CZ 4.37Å; I1725-F1747 HydrophobicContact CD1-CD2 4.19Å; I1725-F1747 HydrophobicContact CD1-CE1 4.09Å; I1725-F1747 HydrophobicContact CD1-CE2 3.5Å; I1725-F1747 HydrophobicContact CD1-CZ 3.44Å; I1725-F1747 VanDerWaalsContact CD1-CZ 3.44Å; I1725-F1747 HydrophobicContact CG1-CE1 4.03Å; I1725-F1747 HydrophobicContact CG1-CE2 4.35Å; I1725-F1747 HydrophobicContact CG1-CZ 3.82Å; I1725-F1747 HydrophobicContact CG2-CE1 3.99Å; I1725-F1747 HydrophobicContact CG2-CZ 3.6Å
1726L95.9Very high93.5Very high0 Ų020.5 Ų20.50%012%0.122CC..Hα-helixtrans-66.3-45.7-176178.759.6000112.3F1482 G1510 T1724 L1728 L1729 L1730 I1743 V1765 V1767 V1798F1482-L1726 HydrophobicContact CD2-CD1 4.27Å; F1482-L1726 HydrophobicContact CD2-CD2 3.85Å; F1482-L1726 HydrophobicContact CE2-CD1 3.67Å; F1482-L1726 HydrophobicContact CE2-CD2 3.64Å; F1482-L1726 HydrophobicContact CE2-CG 4.31Å; F1482-L1726 HydrophobicContact CZ-CD1 4.19Å; G1510-L1726 VanDerWaalsContact O-CB 3.22Å; G1510-L1726 WeakPolarHBondContact O-CB 3.24Å; T1724-L1726 PolarHBondContact O-N 2.96Å; L1726-L1728 VanDerWaalsContact C-N 3.28Å; L1726-L1728 PolarHBondContact O-N 2.92Å; L1726-L1729 PolarHBondContact O-N 3.44Å; L1726-L1729 VanDerWaalsContact O-N 3.16Å; L1726-L1730 HydrophobicContact CD1-CD1 4.06Å; L1726-L1730 HydrophobicContact CD1-CD2 4.32Å; L1726-L1730 HydrophobicContact CD1-CG 3.91Å; L1726-L1730 HydrophobicContact CG-CD1 3.86Å; L1726-L1730 HydrophobicContact CG-CG 4.23Å; L1726-L1730 WeakPolarHBondContact O-CB 3.47Å; L1726-L1730 VanDerWaalsContact O-CG 3.23Å; L1726-L1730 WeakPolarHBondContact O-CG 3.34Å; L1726-L1730 PolarHBondContact O-N 2.73Å; L1726-I1743 HydrophobicContact CD1-CG2 4.22Å; L1726-V1765 HydrophobicContact CD2-CG1 4.22Å; L1726-V1767 HydrophobicContact CD2-CG2 4.01Å; L1726-V1798 HydrophobicContact CD2-CG2 3.59Å; L1726-V1798 HydrophobicContact CG-CG2 4.38Å
1727P93.9Very high93.7Very high3 Ų325.4 Ų25.42%0.01914%0.139CC..Hα-helixtrans-53.2-41.5172.4-28.434.9000114.1T1724 L1730 Q1731 W1773 V1794T1724-P1727 WeakPolarHBondContact O-CD 3.36Å; P1727-L1730 PolarHBondContact O-N 2.89Å; P1727-Q1731 WeakPolarHBondContact O-CB 3.3Å; P1727-Q1731 PolarHBondContact O-N 3.45Å; P1727-W1773 HydrophobicContact CB-CZ2 3.76Å; P1727-W1773 HydrophobicContact CG-CH2 4.21Å; P1727-W1773 HydrophobicContact CG-CZ2 3.58Å; P1727-V1794 HydrophobicContact CB-CG2 4.1Å
1728L96Very high94Very high4 Ų424.5 Ų24.52%0.02113%0.133CC..Hα-helixtrans-67.6-42176.9-68.2166.7000112.2P1655 F1659 T1724 I1725 L1726 L1730 Q1731 A1732 I1775 F1789P1655-L1728 HydrophobicContact CB-CD1 4.16Å; F1659-L1728 HydrophobicContact CD2-CB 3.92Å; F1659-L1728 HydrophobicContact CD2-CD1 4.19Å; F1659-L1728 HydrophobicContact CD2-CD2 4.46Å; F1659-L1728 HydrophobicContact CD2-CG 4.43Å; F1659-L1728 HydrophobicContact CE1-CB 4.5Å; F1659-L1728 HydrophobicContact CE2-CB 3.65Å; F1659-L1728 HydrophobicContact CG-CD2 4.31Å; F1659-L1728 HydrophobicContact CZ-CB 3.96Å; F1659-L1728 WeakPolarHBondContact CZ-O 3.24Å; T1724-L1728 WeakPolarHBondContact O-CB 3.04Å; T1724-L1728 WeakPolarHBondContact O-CD1 3.45Å; T1724-L1728 WeakPolarHBondContact O-CG 3.4Å; T1724-L1728 PolarHBondContact O-N 2.85Å; T1724-L1728 VanDerWaalsContact O-N 3.09Å; I1725-L1728 PolarHBondContact O-N 2.7Å; L1726-L1728 VanDerWaalsContact C-N 3.28Å; L1726-L1728 PolarHBondContact O-N 2.92Å; L1728-L1730 VanDerWaalsContact C-N 3.34Å; L1728-Q1731 WeakPolarHBondContact O-CB 3.36Å; L1728-Q1731 PolarHBondContact O-N 3.5Å; L1728-A1732 PolarHBondContact O-N 2.93Å; L1728-I1775 HydrophobicContact CD2-CD1 4.46Å; L1728-F1789 HydrophobicContact CD1-CD1 3.98Å; L1728-F1789 HydrophobicContact CD1-CD2 3.73Å; L1728-F1789 HydrophobicContact CD1-CE1 3.72Å; L1728-F1789 HydrophobicContact CD1-CE2 3.46Å; L1728-F1789 VanDerWaalsContact CD1-CE2 3.46Å; L1728-F1789 HydrophobicContact CD1-CG 3.96Å; L1728-F1789 HydrophobicContact CD1-CZ 3.44Å; L1728-F1789 VanDerWaalsContact CD1-CZ 3.44Å; L1728-F1789 HydrophobicContact CD2-CD1 3.85Å; L1728-F1789 HydrophobicContact CD2-CE1 4.1Å; L1728-F1789 HydrophobicContact CD2-CG 4.19Å
1729L96.9Very high94.2Very high0 Ų027.9 Ų27.90%015%0.153CC..Hα-helixtrans-65.3-38.4176.5-66176000111.6F1698 I1725 L1726 A1732 V1733 L1738 I1743 F1747F1698-L1729 HydrophobicContact CB-CD1 4.44Å; F1698-L1729 HydrophobicContact CD1-CD2 4.37Å; F1698-L1729 HydrophobicContact CD2-CD1 3.73Å; F1698-L1729 HydrophobicContact CD2-CD2 3.98Å; F1698-L1729 HydrophobicContact CE1-CD2 4.27Å; F1698-L1729 HydrophobicContact CE2-CD1 4.24Å; F1698-L1729 HydrophobicContact CE2-CD2 3.85Å; F1698-L1729 HydrophobicContact CG-CD1 4.2Å; F1698-L1729 HydrophobicContact CG-CD2 4.25Å; F1698-L1729 HydrophobicContact CZ-CD2 4.01Å; I1725-L1729 HydrophobicContact CG1-CD1 3.84Å; I1725-L1729 HydrophobicContact CG1-CG 4.32Å; I1725-L1729 VanDerWaalsContact O-CG 3.27Å; I1725-L1729 WeakPolarHBondContact O-CG 3.23Å; I1725-L1729 PolarHBondContact O-N 3.47Å; L1726-L1729 PolarHBondContact O-N 3.44Å; L1726-L1729 VanDerWaalsContact O-N 3.16Å; L1729-A1732 WeakPolarHBondContact O-CB 3.39Å; L1729-A1732 PolarHBondContact O-N 2.98Å; L1729-V1733 WeakPolarHBondContact O-CG2 3.26Å; L1729-V1733 PolarHBondContact O-N 2.88Å; L1729-L1738 HydrophobicContact CD2-CD1 3.69Å; L1729-I1743 HydrophobicContact CB-CD1 3.76Å; L1729-I1743 HydrophobicContact CB-CG1 4.12Å; L1729-I1743 HydrophobicContact CD1-CG2 4.48Å; L1729-F1747 HydrophobicContact CD1-CD1 4.09Å; L1729-F1747 HydrophobicContact CD1-CE1 4.5Å
1730L95.4Very high94.2Very high4 Ų429.8 Ų29.82%0.02116%0.163CC..Hα-helixtrans-66.3-38.1175.1-68.4166.9000112L1726 P1727 L1728 A1732 V1733 H1734 M1740 I1743 V1767 L1769L1726-L1730 HydrophobicContact CD1-CD1 4.06Å; L1726-L1730 HydrophobicContact CD1-CD2 4.32Å; L1726-L1730 HydrophobicContact CD1-CG 3.91Å; L1726-L1730 HydrophobicContact CG-CD1 3.86Å; L1726-L1730 HydrophobicContact CG-CG 4.23Å; L1726-L1730 WeakPolarHBondContact O-CB 3.47Å; L1726-L1730 VanDerWaalsContact O-CG 3.23Å; L1726-L1730 WeakPolarHBondContact O-CG 3.34Å; L1726-L1730 PolarHBondContact O-N 2.73Å; P1727-L1730 PolarHBondContact O-N 2.89Å; L1728-L1730 VanDerWaalsContact C-N 3.34Å; L1730-A1732 VanDerWaalsContact C-N 3.33Å; L1730-A1732 PolarHBondContact O-N 2.98Å; L1730-V1733 WeakPolarHBondContact O-CA 3.28Å; L1730-V1733 WeakPolarHBondContact O-CB 3.3Å; L1730-V1733 PolarHBondContact O-N 3.04Å; L1730-V1733 VanDerWaalsContact O-N 3.12Å; L1730-H1734 PolarHBondContact O-N 3.31Å; L1730-M1740 HydrophobicContact CD2-CE 3.92Å; L1730-I1743 HydrophobicContact CD2-CD1 4.22Å; L1730-V1767 HydrophobicContact CD1-CB 4.44Å; L1730-V1767 HydrophobicContact CD1-CG1 3.27Å; L1730-V1767 HydrophobicContact CD1-CG2 4.35Å; L1730-V1767 HydrophobicContact CD2-CG1 4.02Å; L1730-V1767 HydrophobicContact CG-CG1 4.28Å; L1730-L1769 HydrophobicContact CD2-CD2 3.81Å
1731Q95Very high94.2Very high32 Ų3233.7 Ų33.715%0.1518%0.181CC..Hα-helixtrans-61-42.9171.7-179.559.822.700111.3P1727 L1728 V1733 H1734 E1735 V1794P1727-Q1731 WeakPolarHBondContact O-CB 3.3Å; P1727-Q1731 PolarHBondContact O-N 3.45Å; L1728-Q1731 WeakPolarHBondContact O-CB 3.36Å; L1728-Q1731 PolarHBondContact O-N 3.5Å; Q1731-V1733 VanDerWaalsContact C-N 3.27Å; Q1731-V1733 PolarHBondContact O-N 3.46Å; Q1731-H1734 WeakPolarHBondContact O-CB 3.38Å; Q1731-H1734 PolarHBondContact O-N 3.33Å; Q1731-H1734 VanDerWaalsContact O-N 3.12Å; Q1731-E1735 PolarHBondContact NE2-OE1 2.9Å; Q1731-E1735 WeakPolarHBondContact O-CG 3.3Å; Q1731-E1735 PolarHBondContact O-N 3Å; Q1731-V1794 HydrophobicContact CB-CB 4.27Å; Q1731-V1794 HydrophobicContact CB-CG1 4.13Å; Q1731-V1794 HydrophobicContact CG-CG1 4.37Å
1732A95Very high94.3Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-64.5-29.9173.900000113.1F1659 W1689 L1728 L1729 L1730 G1736 R1737 L1738F1659-A1732 HydrophobicContact CE1-CB 4.18Å; F1659-A1732 HydrophobicContact CZ-CB 3.9Å; W1689-A1732 HydrophobicContact CH2-CB 3.82Å; L1728-A1732 PolarHBondContact O-N 2.93Å; L1729-A1732 WeakPolarHBondContact O-CB 3.39Å; L1729-A1732 PolarHBondContact O-N 2.98Å; L1730-A1732 VanDerWaalsContact C-N 3.33Å; L1730-A1732 PolarHBondContact O-N 2.98Å; A1732-G1736 PolarHBondContact O-N 3.38Å; A1732-R1737 HydrophobicContact CB-CB 4.29Å; A1732-R1737 PolarHBondContact O-N 2.74Å; A1732-L1738 HydrophobicContact CB-CB 4.37Å; A1732-L1738 HydrophobicContact CB-CD1 3.92Å; A1732-L1738 HydrophobicContact CB-CG 4.04Å; A1732-L1738 PolarHBondContact O-N 3.21Å; A1732-L1738 VanDerWaalsContact O-N 3.16Å
1733V94.3Very high94.4Very high37 Ų3734.4 Ų34.422%0.22418%0.183CC..Hα-helixtrans-68.5-43.7170173.60000111.1L1729 L1730 Q1731 E1735 G1736 L1738 I1743L1729-V1733 WeakPolarHBondContact O-CG2 3.26Å; L1729-V1733 PolarHBondContact O-N 2.88Å; L1730-V1733 WeakPolarHBondContact O-CA 3.28Å; L1730-V1733 WeakPolarHBondContact O-CB 3.3Å; L1730-V1733 PolarHBondContact O-N 3.04Å; L1730-V1733 VanDerWaalsContact O-N 3.12Å; Q1731-V1733 VanDerWaalsContact C-N 3.27Å; Q1731-V1733 PolarHBondContact O-N 3.46Å; V1733-E1735 VanDerWaalsContact C-N 3.27Å; V1733-E1735 PolarHBondContact O-N 3.34Å; V1733-G1736 PolarHBondContact O-N 3.3Å; V1733-L1738 WeakPolarHBondContact CA-O 3.48Å; V1733-L1738 HydrophobicContact CG2-CB 3.88Å; V1733-I1743 HydrophobicContact CG2-CD1 3.59Å; V1733-I1743 HydrophobicContact CG2-CG1 4.2Å
1734H91Very high94.5Very high111 Ų11136.2 Ų36.251%0.51419%0.191SC..Hα-helixtrans-60.8-37.4176.5-178.742.8000112.3L1730 Q1731 G1736L1730-H1734 PolarHBondContact O-N 3.31Å; Q1731-H1734 WeakPolarHBondContact O-CB 3.38Å; Q1731-H1734 PolarHBondContact O-N 3.33Å; Q1731-H1734 VanDerWaalsContact O-N 3.12Å; H1734-G1736 VanDerWaalsContact C-N 3.26Å; H1734-G1736 PolarHBondContact O-N 2.92Å
1735E92.7Very high94.6Very high103 Ų10339.4 Ų39.448%0.48120%0.202SC..THydrogen-bonded Turntrans-78.2-3.7175.4-68.8171.4-174.700113.9Q1731 V1733 R1737Q1731-E1735 PolarHBondContact NE2-OE1 2.9Å; Q1731-E1735 WeakPolarHBondContact O-CG 3.3Å; Q1731-E1735 PolarHBondContact O-N 3Å; V1733-E1735 VanDerWaalsContact C-N 3.27Å; V1733-E1735 PolarHBondContact O-N 3.34Å; E1735-R1737 VanDerWaalsContact C-N 3.3Å; E1735-R1737 HydrophobicContact CB-CG 4.16Å; E1735-R1737 PolarHBondContact O-N 3.37Å
1736G91.2Very high94.7Very high66 Ų6639.5 Ų39.568%0.6820%0.203SC*.THydrogen-bonded Turntrans74.613-179.700000115.2A1732 V1733 H1734A1732-G1736 PolarHBondContact O-N 3.38Å; V1733-G1736 PolarHBondContact O-N 3.3Å; H1734-G1736 VanDerWaalsContact C-N 3.26Å; H1734-G1736 PolarHBondContact O-N 2.92Å
1737R93.5Very high94.8Very high111 Ų11139.5 Ų39.542%0.41920%0.203SC..SBendtrans-83.9-24.1178.1-56.9-176.370.2-167.56.2113.2W1689 A1732 E1735W1689-R1737 HydrophobicContact CE3-CB 4.5Å; W1689-R1737 HydrophobicContact CH2-CB 4.34Å; W1689-R1737 HydrophobicContact CZ3-CB 3.98Å; A1732-R1737 HydrophobicContact CB-CB 4.29Å; A1732-R1737 PolarHBondContact O-N 2.74Å; E1735-R1737 VanDerWaalsContact C-N 3.3Å; E1735-R1737 HydrophobicContact CB-CG 4.16Å; E1735-R1737 PolarHBondContact O-N 3.37Å
1738L95.3Very high94.9Very high7 Ų741 Ų414%0.03721%0.21CC..SBendtrans-129.5156.5173.1-69.6178.5000110.1W1689 I1692 F1698 L1729 A1732 V1733 D1742W1689-L1738 HydrophobicContact CH2-CD1 4.23Å; W1689-L1738 HydrophobicContact CH2-CG 4.13Å; W1689-L1738 HydrophobicContact CZ3-CD1 4.32Å; W1689-L1738 HydrophobicContact CZ3-CD2 3.87Å; W1689-L1738 HydrophobicContact CZ3-CG 3.8Å; I1692-L1738 HydrophobicContact CD1-CD2 4.48Å; I1692-L1738 HydrophobicContact CG1-CD2 3.93Å; F1698-L1738 HydrophobicContact CE2-CD1 4.41Å; F1698-L1738 HydrophobicContact CZ-CD1 4.17Å; F1698-L1738 HydrophobicContact CZ-CD2 4.4Å; L1729-L1738 HydrophobicContact CD2-CD1 3.69Å; A1732-L1738 HydrophobicContact CB-CB 4.37Å; A1732-L1738 HydrophobicContact CB-CD1 3.92Å; A1732-L1738 HydrophobicContact CB-CG 4.04Å; A1732-L1738 PolarHBondContact O-N 3.21Å; A1732-L1738 VanDerWaalsContact O-N 3.16Å; V1733-L1738 WeakPolarHBondContact CA-O 3.48Å; V1733-L1738 HydrophobicContact CG2-CB 3.88Å; L1738-D1742 HydrophobicContact CD2-CB 4.13Å
1739T93.9Very high94.9Very high74 Ų7446.1 Ų46.145%0.45423%0.228SC..  trans-98.9162165.469.90000110.9E1741 D1742 I1743T1739-E1741 PolarHBondContact O-N 3.23Å; T1739-E1741 PolarHBondContact OG1-N 2.68Å; T1739-D1742 WeakPolarHBondContact CB-OD2 3.38Å; T1739-D1742 PolarHBondContact N-OD2 2.86Å; T1739-D1742 WeakPolarHBondContact O-CB 3.48Å; T1739-D1742 PolarHBondContact O-N 3.18Å; T1739-D1742 VanDerWaalsContact O-N 3.1Å; T1739-D1742 VanDerWaalsContact OG1-CG 3.26Å; T1739-D1742 PolarHBondContact OG1-N 2.98Å; T1739-D1742 VanDerWaalsContact OG1-N 3.13Å; T1739-D1742 PolarHBondContact OG1-OD2 2.62Å; T1739-I1743 PolarHBondContact O-N 2.95Å
1740M93Very high94.9Very high42 Ų4247.7 Ų47.721%0.20724%0.237CC..Hα-helixtrans-61.2-30.8173.1-16958.268.700112V1477 L1479 L1730 I1743 K1744 L1769V1477-M1740 HydrophobicContact CG2-CE 4.33Å; L1479-M1740 HydrophobicContact CD1-SD 3.79Å; L1479-M1740 HydrophobicContact CD2-CG 3.88Å; L1479-M1740 HydrophobicContact CD2-SD 3.48Å; L1479-M1740 WeakPolarHBondContact CD2-SD 3.45Å; L1479-M1740 HydrophobicContact CG-SD 4.3Å; L1730-M1740 HydrophobicContact CD2-CE 3.92Å; M1740-I1743 PolarHBondContact O-N 2.86Å; M1740-I1743 HydrophobicContact SD-CD1 4.39Å; M1740-K1744 WeakPolarHBondContact O-CG 3.4Å; M1740-K1744 PolarHBondContact O-N 2.99Å; M1740-K1744 VanDerWaalsContact O-N 3.17Å; M1740-L1769 HydrophobicContact CE-CD1 4.45Å; M1740-L1769 HydrophobicContact CE-CD2 3.96Å
1741E94.4Very high95Very high81 Ų8147.5 Ų47.538%0.37924%0.236SC..Hα-helixtrans-71.5-30.3176.2-169.557.5-155.100111.9T1739 I1743 K1744 R1745 R1749T1739-E1741 PolarHBondContact O-N 3.23Å; T1739-E1741 PolarHBondContact OG1-N 2.68Å; E1741-I1743 VanDerWaalsContact C-N 3.34Å; E1741-I1743 PolarHBondContact O-N 3.36Å; E1741-K1744 PolarHBondContact O-N 3.36Å; E1741-K1744 WeakPolarHBondContact OE2-CD 2.98Å; E1741-R1745 WeakPolarHBondContact O-CB 2.88Å; E1741-R1745 PolarHBondContact O-N 3.35Å; E1741-R1749 IonicContact OE1-CZ 3.79Å; E1741-R1749 VanDerWaalsContact OE1-CZ 3.28Å; E1741-R1749 IonicContact OE1-NH1 2.63Å; E1741-R1749 PolarHBondContact OE1-NH1 2.93Å; E1741-R1749 IonicContact OE1-NH2 2.64Å; E1741-R1749 PolarHBondContact OE1-NH2 2.89Å
1742D95.4Very high95Very high21 Ų2148.3 Ų48.311%0.11224%0.239CC..Hα-helixtrans-61.9-42.7172.3-68.9-54.3000112L1738 T1739 R1745 K1746L1738-D1742 HydrophobicContact CD2-CB 4.13Å; T1739-D1742 WeakPolarHBondContact CB-OD2 3.38Å; T1739-D1742 PolarHBondContact N-OD2 2.86Å; T1739-D1742 WeakPolarHBondContact O-CB 3.48Å; T1739-D1742 PolarHBondContact O-N 3.18Å; T1739-D1742 VanDerWaalsContact O-N 3.1Å; T1739-D1742 VanDerWaalsContact OG1-CG 3.26Å; T1739-D1742 PolarHBondContact OG1-N 2.98Å; T1739-D1742 VanDerWaalsContact OG1-N 3.13Å; T1739-D1742 PolarHBondContact OG1-OD2 2.62Å; D1742-R1745 PolarHBondContact O-N 2.94Å; D1742-R1745 IonicContact OD1-CZ 3.08Å; D1742-R1745 IonicContact OD1-NE 3.96Å; D1742-R1745 IonicContact OD1-NH2 2.84Å; D1742-R1745 PolarHBondContact OD1-NH2 3.15Å; D1742-K1746 WeakPolarHBondContact O-CB 3.26Å; D1742-K1746 PolarHBondContact O-N 3.01Å
1743I96.1Very high94.9Very high0 Ų054 Ų540%027%0.268CS..Hα-helixtrans-62-51175.1-58.9-177.4000110F1482 L1726 L1729 L1730 V1733 T1739 M1740 E1741 R1745 F1747F1482-I1743 HydrophobicContact CD1-CG2 4.47Å; F1482-I1743 HydrophobicContact CE1-CG2 3.58Å; F1482-I1743 HydrophobicContact CE2-CG2 4.44Å; F1482-I1743 HydrophobicContact CZ-CG2 3.55Å; L1726-I1743 HydrophobicContact CD1-CG2 4.22Å; L1729-I1743 HydrophobicContact CB-CD1 3.76Å; L1729-I1743 HydrophobicContact CB-CG1 4.12Å; L1729-I1743 HydrophobicContact CD1-CG2 4.48Å; L1730-I1743 HydrophobicContact CD2-CD1 4.22Å; V1733-I1743 HydrophobicContact CG2-CD1 3.59Å; V1733-I1743 HydrophobicContact CG2-CG1 4.2Å; T1739-I1743 PolarHBondContact O-N 2.95Å; M1740-I1743 PolarHBondContact O-N 2.86Å; M1740-I1743 HydrophobicContact SD-CD1 4.39Å; E1741-I1743 VanDerWaalsContact C-N 3.34Å; E1741-I1743 PolarHBondContact O-N 3.36Å; I1743-R1745 VanDerWaalsContact C-N 3.32Å; I1743-R1745 PolarHBondContact O-N 3.04Å; I1743-F1747 HydrophobicContact CG2-CB 4.36Å; I1743-F1747 HydrophobicContact CG2-CD1 4.42Å; I1743-F1747 WeakPolarHBondContact O-CA 3.43Å; I1743-F1747 WeakPolarHBondContact O-CB 3.42Å; I1743-F1747 PolarHBondContact O-N 2.73Å
1744K95.5Very high94.8Very high59 Ų5954 Ų5426%0.25727%0.267SS..Hα-helixtrans-59.5-41.5178.9-68.3174.8-176.4174.60112.3P1480 M1740 E1741 H1748 R1749P1480-K1744 HydrophobicContact CG-CG 4.19Å; M1740-K1744 WeakPolarHBondContact O-CG 3.4Å; M1740-K1744 PolarHBondContact O-N 2.99Å; M1740-K1744 VanDerWaalsContact O-N 3.17Å; E1741-K1744 PolarHBondContact O-N 3.36Å; E1741-K1744 WeakPolarHBondContact OE2-CD 2.98Å; K1744-H1748 WeakPolarHBondContact O-CB 3.5Å; K1744-H1748 PolarHBondContact O-N 2.92Å; K1744-R1749 PolarHBondContact O-N 3.14Å
1745R97Very high94.9Very high73 Ų7348.8 Ų48.828%0.27524%0.242SC..Iπ-helixtrans-67-55179.8-178.9173.963.7161.81.9111.1D1693 E1741 D1742 I1743 R1749 N1750D1693-R1745 IonicContact OD1-NH2 2.86Å; D1693-R1745 PolarHBondContact OD1-NH2 2.91Å; E1741-R1745 WeakPolarHBondContact O-CB 2.88Å; E1741-R1745 PolarHBondContact O-N 3.35Å; D1742-R1745 PolarHBondContact O-N 2.94Å; D1742-R1745 IonicContact OD1-CZ 3.08Å; D1742-R1745 IonicContact OD1-NE 3.96Å; D1742-R1745 IonicContact OD1-NH2 2.84Å; D1742-R1745 PolarHBondContact OD1-NH2 3.15Å; I1743-R1745 VanDerWaalsContact C-N 3.32Å; I1743-R1745 PolarHBondContact O-N 3.04Å; R1745-R1749 PolarHBondContact O-N 3.21Å; R1745-N1750 VanDerWaalsContact O-CB 3.24Å; R1745-N1750 WeakPolarHBondContact O-CB 3.42Å; R1745-N1750 VanDerWaalsContact O-CG 3.25Å; R1745-N1750 PolarHBondContact O-N 3.44Å
1746K97.8Very high94.7Very high2 Ų248.7 Ų48.71%0.00925%0.245CC..Iπ-helixtrans-86.5-20.1-170.2-64.1169.6-179.9-22.60114.2I1692 I1695 D1696 V1697 F1698 D1742 P1751I1692-K1746 WeakPolarHBondContact O-CE 3.43Å; I1692-K1746 PolarHBondContact O-NZ 3.48Å; I1695-K1746 PolarHBondContact O-NZ 3.47Å; D1696-K1746 VanDerWaalsContact O-CA 3.32Å; D1696-K1746 WeakPolarHBondContact O-CA 3.28Å; V1697-K1746 VanDerWaalsContact CA-O 3.28Å; V1697-K1746 WeakPolarHBondContact CA-O 3.19Å; F1698-K1746 HydrophobicContact CD2-CB 3.69Å; F1698-K1746 HydrophobicContact CE1-CD 4.39Å; F1698-K1746 HydrophobicContact CE2-CB 3.67Å; F1698-K1746 HydrophobicContact CE2-CD 3.74Å; F1698-K1746 HydrophobicContact CE2-CG 4.37Å; F1698-K1746 HydrophobicContact CG-CB 4.38Å; F1698-K1746 HydrophobicContact CZ-CB 4.34Å; F1698-K1746 HydrophobicContact CZ-CD 3.67Å; F1698-K1746 PolarHBondContact N-O 3.36Å; F1698-K1746 VanDerWaalsContact N-O 3.13Å; D1742-K1746 WeakPolarHBondContact O-CB 3.26Å; D1742-K1746 PolarHBondContact O-N 3.01Å; K1746-P1751 WeakPolarHBondContact O-CD 3.48Å; K1746-P1751 WeakPolarHBondContact O-CG 3.33Å
1747F97.2Very high94.7Very high0 Ų045.9 Ų45.90%022%0.215CC..Iπ-helixtrans-111.8-2-177.5-158.2-154.3000114.2F1482 I1483 D1484 V1512 F1698 I1725 L1729 I1743F1482-F1747 HydrophobicContact CB-CD1 3.53Å; F1482-F1747 HydrophobicContact CB-CD2 4.39Å; F1482-F1747 HydrophobicContact CB-CE1 3.51Å; F1482-F1747 HydrophobicContact CB-CE2 4.37Å; F1482-F1747 HydrophobicContact CB-CG 3.98Å; F1482-F1747 HydrophobicContact CB-CZ 3.95Å; F1482-F1747 HydrophobicContact CD1-CB 3.73Å; F1482-F1747 AromaticContact CD1-CD1 3.43Å; F1482-F1747 HydrophobicContact CD1-CD1 3.43Å; F1482-F1747 VanDerWaalsContact CD1-CD1 3.43Å; F1482-F1747 HydrophobicContact CD1-CE1 4.24Å; F1482-F1747 AromaticContact CD1-CG 3.77Å; F1482-F1747 HydrophobicContact CD1-CG 3.77Å; F1482-F1747 AromaticContact CD2-CD1 3.98Å; F1482-F1747 HydrophobicContact CD2-CD1 3.98Å; F1482-F1747 HydrophobicContact CD2-CE1 4.09Å; F1482-F1747 HydrophobicContact CE1-CB 4.22Å; F1482-F1747 HydrophobicContact CE1-CD1 4.11Å; F1482-F1747 HydrophobicContact CG-CB 4.48Å; F1482-F1747 AromaticContact CG-CD1 3.35Å; F1482-F1747 HydrophobicContact CG-CD1 3.35Å; F1482-F1747 AromaticContact CG-CE1 3.69Å; F1482-F1747 HydrophobicContact CG-CE1 3.69Å; F1482-F1747 HydrophobicContact CG-CG 4.02Å; I1483-F1747 PolarHBondContact N-O 2.76Å; I1483-F1747 WeakPolarHBondContact O-CD2 3.27Å; D1484-F1747 HydrophobicContact CB-CE2 4.38Å; V1512-F1747 HydrophobicContact CG2-CE1 4.28Å; V1512-F1747 HydrophobicContact CG2-CE2 4.39Å; V1512-F1747 HydrophobicContact CG2-CZ 3.59Å; F1698-F1747 HydrophobicContact CB-CD2 4.15Å; F1698-F1747 HydrophobicContact CB-CG 4.47Å; F1698-F1747 HydrophobicContact CD2-CB 4.28Å; F1698-F1747 WeakPolarHBondContact O-CD2 3.48Å; I1725-F1747 HydrophobicContact CB-CZ 4.37Å; I1725-F1747 HydrophobicContact CD1-CD2 4.19Å; I1725-F1747 HydrophobicContact CD1-CE1 4.09Å; I1725-F1747 HydrophobicContact CD1-CE2 3.5Å; I1725-F1747 HydrophobicContact CD1-CZ 3.44Å; I1725-F1747 VanDerWaalsContact CD1-CZ 3.44Å; I1725-F1747 HydrophobicContact CG1-CE1 4.03Å; I1725-F1747 HydrophobicContact CG1-CE2 4.35Å; I1725-F1747 HydrophobicContact CG1-CZ 3.82Å; I1725-F1747 HydrophobicContact CG2-CE1 3.99Å; I1725-F1747 HydrophobicContact CG2-CZ 3.6Å; L1729-F1747 HydrophobicContact CD1-CD1 4.09Å; L1729-F1747 HydrophobicContact CD1-CE1 4.5Å; I1743-F1747 HydrophobicContact CG2-CB 4.36Å; I1743-F1747 HydrophobicContact CG2-CD1 4.42Å; I1743-F1747 WeakPolarHBondContact O-CA 3.43Å; I1743-F1747 WeakPolarHBondContact O-CB 3.42Å; I1743-F1747 PolarHBondContact O-N 2.73Å
1748H96.4Very high94.5Very high35 Ų3543.6 Ų43.616%0.16221%0.214CC..Iπ-helixtrans-138.8-62.9175.6173.379.9000112.7P1480 G1481 F1482 K1744 P1751 K1752P1480-H1748 HydrophobicContact CB-CB 4.37Å; P1480-H1748 HydrophobicContact CG-CB 3.93Å; G1481-H1748 PolarHBondContact O-ND1 3.46Å; F1482-H1748 HydrophobicContact CD1-CB 4.07Å; F1482-H1748 HydrophobicContact CE1-CB 4.48Å; K1744-H1748 WeakPolarHBondContact O-CB 3.5Å; K1744-H1748 PolarHBondContact O-N 2.92Å; H1748-P1751 WeakPolarHBondContact O-CD 3.42Å; H1748-K1752 VanDerWaalsContact O-CB 3.28Å; H1748-K1752 WeakPolarHBondContact O-CB 3.37Å; H1748-K1752 PolarHBondContact O-N 3.15Å
1749R96.6Very high93.8Very high110 Ų11048.4 Ų48.442%0.41524%0.24SC..Iπ-helixtrans-64.6-48.8-171.7-165.7-175.8-66.2128.50.6112.8E1741 K1744 R1745 K1752 I1753E1741-R1749 IonicContact OE1-CZ 3.79Å; E1741-R1749 VanDerWaalsContact OE1-CZ 3.28Å; E1741-R1749 IonicContact OE1-NH1 2.63Å; E1741-R1749 PolarHBondContact OE1-NH1 2.93Å; E1741-R1749 IonicContact OE1-NH2 2.64Å; E1741-R1749 PolarHBondContact OE1-NH2 2.89Å; K1744-R1749 PolarHBondContact O-N 3.14Å; R1745-R1749 PolarHBondContact O-N 3.21Å; R1749-K1752 PolarHBondContact O-N 2.97Å; R1749-I1753 HydrophobicContact CG-CD1 3.99Å; R1749-I1753 VanDerWaalsContact O-CG1 3.29Å; R1749-I1753 WeakPolarHBondContact O-CG1 3.33Å; R1749-I1753 PolarHBondContact O-N 3.34Å
1750N97.1Very high93.4Very high33 Ų3346.2 Ų46.218%0.17622%0.224CC..Hα-helixtrans-66.6-49.8179.3-73-3.6000112.2D1696 V1697 R1745 K1752 I1753 I1754D1696-N1750 WeakPolarHBondContact O-CB 3.27Å; D1696-N1750 PolarHBondContact O-ND2 3.15Å; V1697-N1750 HydrophobicContact CG2-CB 4.41Å; R1745-N1750 VanDerWaalsContact O-CB 3.24Å; R1745-N1750 WeakPolarHBondContact O-CB 3.42Å; R1745-N1750 VanDerWaalsContact O-CG 3.25Å; R1745-N1750 PolarHBondContact O-N 3.44Å; N1750-K1752 VanDerWaalsContact C-N 3.26Å; N1750-K1752 PolarHBondContact O-N 3.5Å; N1750-I1753 PolarHBondContact O-N 2.97Å; N1750-I1753 VanDerWaalsContact O-N 3.16Å; N1750-I1754 HydrophobicContact CB-CD1 4.15Å; N1750-I1754 WeakPolarHBondContact O-CB 3.37Å; N1750-I1754 VanDerWaalsContact O-CG1 3.23Å; N1750-I1754 WeakPolarHBondContact O-CG1 3.42Å; N1750-I1754 PolarHBondContact O-N 2.85Å
1751P96.4Very high92.8Very high0 Ų047.8 Ų47.80%024%0.244CC..Hα-helixtrans-49.9-47171.6-31.536.2000112.9I1483 V1485 V1697 K1746 H1748 I1753 F1755I1483-P1751 HydrophobicContact CB-CB 3.78Å; I1483-P1751 HydrophobicContact CB-CG 4.44Å; I1483-P1751 HydrophobicContact CD1-CB 4.24Å; I1483-P1751 HydrophobicContact CG2-CB 3.82Å; V1485-P1751 HydrophobicContact CG1-CB 3.79Å; V1697-P1751 HydrophobicContact CG1-CG 3.9Å; V1697-P1751 HydrophobicContact CG2-CG 4.04Å; K1746-P1751 WeakPolarHBondContact O-CD 3.48Å; K1746-P1751 WeakPolarHBondContact O-CG 3.33Å; H1748-P1751 WeakPolarHBondContact O-CD 3.42Å; P1751-I1753 PolarHBondContact O-N 2.96Å; P1751-F1755 VanDerWaalsContact O-CB 3.32Å; P1751-F1755 WeakPolarHBondContact O-CB 3.14Å; P1751-F1755 WeakPolarHBondContact O-CD2 3.3Å; P1751-F1755 PolarHBondContact O-N 3Å
1752K94.4Very high92.3Very high49 Ų4951 Ų5121%0.21326%0.259CS..Hα-helixtrans-58.6-47.9178.8-176.5-168.2166.4-163.70112.3I1483 H1748 R1749 N1750 N1756 L1757 D1759I1483-K1752 HydrophobicContact CD1-CB 3.88Å; H1748-K1752 VanDerWaalsContact O-CB 3.28Å; H1748-K1752 WeakPolarHBondContact O-CB 3.37Å; H1748-K1752 PolarHBondContact O-N 3.15Å; R1749-K1752 PolarHBondContact O-N 2.97Å; N1750-K1752 VanDerWaalsContact C-N 3.26Å; N1750-K1752 PolarHBondContact O-N 3.5Å; K1752-N1756 CarbonylContact O-C 3.54Å; K1752-N1756 WeakPolarHBondContact O-CA 3.4Å; K1752-N1756 PolarHBondContact O-N 2.76Å; K1752-L1757 HydrophobicContact CG-CB 4.4Å; K1752-L1757 WeakPolarHBondContact CG-O 3.38Å; K1752-L1757 PolarHBondContact O-N 3.39Å; K1752-D1759 VanDerWaalsContact CE-OD1 3.22Å; K1752-D1759 WeakPolarHBondContact CE-OD1 3.28Å; K1752-D1759 IonicContact NZ-OD1 3.49Å; K1752-D1759 PolarHBondContact NZ-OD1 3.41Å; K1752-D1759 IonicContact NZ-OD2 3.87Å; K1752-D1759 PolarHBondContact NZ-OD2 3.27Å
1753I93.3Very high92.1Very high119 Ų11950.9 Ų50.961%0.6126%0.259SS*.Hα-helixtrans-68.7-50.6-178.8-67.1166000111R1749 N1750 P1751 F1755 N1756R1749-I1753 HydrophobicContact CG-CD1 3.99Å; R1749-I1753 VanDerWaalsContact O-CG1 3.29Å; R1749-I1753 WeakPolarHBondContact O-CG1 3.33Å; R1749-I1753 PolarHBondContact O-N 3.34Å; N1750-I1753 PolarHBondContact O-N 2.97Å; N1750-I1753 VanDerWaalsContact O-N 3.16Å; P1751-I1753 PolarHBondContact O-N 2.96Å; I1753-F1755 VanDerWaalsContact C-N 3.33Å; I1753-F1755 PolarHBondContact O-N 2.83Å; I1753-N1756 PolarHBondContact O-N 3.16Å
1754I93Very high91.9Very high39 Ų3953 Ų5320%0.227%0.267CS..Hα-helixtrans-62.8-42.4-174.7-67.4167.8000110.7P1601 T1650 D1696 V1697 N1750P1601-I1754 WeakPolarHBondContact CG-O 3.34Å; T1650-I1754 HydrophobicContact CG2-CD1 3.84Å; T1650-I1754 HydrophobicContact CG2-CG1 4.09Å; D1696-I1754 HydrophobicContact CB-CD1 3.7Å; V1697-I1754 HydrophobicContact CG2-CD1 3.74Å; N1750-I1754 HydrophobicContact CB-CD1 4.15Å; N1750-I1754 WeakPolarHBondContact O-CB 3.37Å; N1750-I1754 VanDerWaalsContact O-CG1 3.23Å; N1750-I1754 WeakPolarHBondContact O-CG1 3.42Å; N1750-I1754 PolarHBondContact O-N 2.85Å
1755F93.4Very high91.8Very high0 Ų050.2 Ų50.20%026%0.255CS..THydrogen-bonded Turntrans-93.14.4-178.1-67.2-90.1000113.4V1485 Y1549 P1601 V1603 H1626 P1751 I1753 L1757 R1825V1485-F1755 HydrophobicContact CB-CD2 4.23Å; V1485-F1755 HydrophobicContact CB-CE1 4.45Å; V1485-F1755 HydrophobicContact CB-CE2 3.76Å; V1485-F1755 HydrophobicContact CB-CZ 3.87Å; V1485-F1755 HydrophobicContact CG1-CD2 3.61Å; V1485-F1755 HydrophobicContact CG1-CE2 3.57Å; V1485-F1755 HydrophobicContact CG1-CG 4.24Å; V1485-F1755 HydrophobicContact CG1-CZ 4.17Å; V1485-F1755 HydrophobicContact CG2-CE2 3.9Å; V1485-F1755 HydrophobicContact CG2-CZ 4.04Å; Y1549-F1755 HydrophobicContact CE1-CE1 4.2Å; Y1549-F1755 AromaticContact CZ-CE1 3.98Å; Y1549-F1755 WeakPolarHBondContact OH-CE1 3.13Å; P1601-F1755 HydrophobicContact CB-CD1 4.24Å; P1601-F1755 HydrophobicContact CG-CD1 4.26Å; V1603-F1755 HydrophobicContact CG2-CE1 3.6Å; V1603-F1755 HydrophobicContact CG2-CZ 4.18Å; H1626-F1755 AromaticContact CD2-CZ 3.83Å; P1751-F1755 VanDerWaalsContact O-CB 3.32Å; P1751-F1755 WeakPolarHBondContact O-CB 3.14Å; P1751-F1755 WeakPolarHBondContact O-CD2 3.3Å; P1751-F1755 PolarHBondContact O-N 3Å; I1753-F1755 VanDerWaalsContact C-N 3.33Å; I1753-F1755 PolarHBondContact O-N 2.83Å; F1755-L1757 VanDerWaalsContact C-N 3.31Å; F1755-L1757 HydrophobicContact CB-CD1 3.77Å; F1755-L1757 HydrophobicContact CB-CD2 4.24Å; F1755-L1757 HydrophobicContact CB-CG 3.72Å; F1755-L1757 PolarHBondContact O-N 3.21Å; F1755-R1825 PolarHBondContact O-NH2 2.77Å
1756N88.4Confident91.5Very high101 Ų10147.4 Ų47.454%0.5425%0.245SC..THydrogen-bonded Turntrans50.549.9-178.2-174.236.9000111.9K1752 I1753 R1825K1752-N1756 CarbonylContact O-C 3.54Å; K1752-N1756 WeakPolarHBondContact O-CA 3.4Å; K1752-N1756 PolarHBondContact O-N 2.76Å; I1753-N1756 PolarHBondContact O-N 3.16Å; N1756-R1825 PolarHBondContact O-NH1 2.82Å
1757L91.4Very high91.2Very high8 Ų847.3 Ų47.34%0.04225%0.245CC..PPolyproline II helixtrans-91.9145.5-179-56165.9000109.7I1483 L1514 A1547 K1752 F1755 V1824I1483-L1757 HydrophobicContact CD1-CD1 4.13Å; I1483-L1757 HydrophobicContact CG2-CD1 3.66Å; L1514-L1757 HydrophobicContact CD2-CB 4.18Å; L1514-L1757 HydrophobicContact CD2-CD1 3.78Å; L1514-L1757 HydrophobicContact CD2-CD2 4.35Å; L1514-L1757 HydrophobicContact CD2-CG 4.31Å; A1547-L1757 HydrophobicContact CB-CD2 4.15Å; K1752-L1757 HydrophobicContact CG-CB 4.4Å; K1752-L1757 WeakPolarHBondContact CG-O 3.38Å; K1752-L1757 PolarHBondContact O-N 3.39Å; F1755-L1757 VanDerWaalsContact C-N 3.31Å; F1755-L1757 HydrophobicContact CB-CD1 3.77Å; F1755-L1757 HydrophobicContact CB-CD2 4.24Å; F1755-L1757 HydrophobicContact CB-CG 3.72Å; F1755-L1757 PolarHBondContact O-N 3.21Å; L1757-V1824 HydrophobicContact CD2-CG2 4.03Å
1758P87.7Confident90.8Very high62 Ų6247.4 Ų47.440%0.40325%0.245SC..PPolyproline II helixtrans-73160.9179.931-35000112V1824P1758-V1824 HydrophobicContact CG-CB 3.76Å; P1758-V1824 HydrophobicContact CG-CG1 4.37Å; P1758-V1824 HydrophobicContact CG-CG2 4.5Å
1759D82.3Confident90.4Very high109 Ų10947.4 Ų47.458%0.58325%0.246SC*.PPolyproline II helixtrans-65.7136165.9-92.5-40.4000111.1K1752 A1761K1752-D1759 VanDerWaalsContact CE-OD1 3.22Å; K1752-D1759 WeakPolarHBondContact CE-OD1 3.28Å; K1752-D1759 IonicContact NZ-OD1 3.49Å; K1752-D1759 PolarHBondContact NZ-OD1 3.41Å; K1752-D1759 IonicContact NZ-OD2 3.87Å; K1752-D1759 PolarHBondContact NZ-OD2 3.27Å; D1759-A1761 PolarHBondContact O-N 3Å
1760Q85.1Confident89.7Confident27 Ų2744.7 Ų44.713%0.12624%0.24CC..  trans-92.787.7167.9-61.7-179.1-69.300108.5T1513 D1545 T1763T1513-Q1760 PolarHBondContact O-NE2 2.82Å; T1513-Q1760 PolarHBondContact OG1-OE1 3.46Å; D1545-Q1760 PolarHBondContact OD2-NE2 3.42Å; Q1760-T1763 HydrophobicContact CB-CG2 4.03Å; Q1760-T1763 WeakPolarHBondContact CB-OG1 3.41Å; Q1760-T1763 WeakPolarHBondContact O-CB 3.08Å; Q1760-T1763 PolarHBondContact O-N 3.28Å
1761A79.3Confident89.1Confident76 Ų7645 Ų4563%0.62824%0.24SC*.THydrogen-bonded Turntrans-57.8140.4175.700000110.8D1759 T1763D1759-A1761 PolarHBondContact O-N 3Å; A1761-T1763 PolarHBondContact O-N 3.01Å
1762Q83.8Confident88.7Confident149 Ų14951 Ų5170%0.69627%0.268SS*.THydrogen-bonded Turntrans5926-177.5-49.8178.527.100114.5G1805Q1762-G1805 PolarHBondContact O-N 2.97Å
1763T91.7Very high88.4Confident17 Ų1750.7 Ų50.710%0.10427%0.266CS..  trans-111.2130.2174-64.90000110.5T1513 Q1760 A1761 V1802 L1803 R1804T1513-T1763 HydrophobicContact CG2-CG2 3.55Å; Q1760-T1763 HydrophobicContact CB-CG2 4.03Å; Q1760-T1763 WeakPolarHBondContact CB-OG1 3.41Å; Q1760-T1763 WeakPolarHBondContact O-CB 3.08Å; Q1760-T1763 PolarHBondContact O-N 3.28Å; A1761-T1763 PolarHBondContact O-N 3.01Å; T1763-V1802 CarbonylContact C-O 3.47Å; T1763-V1802 WeakPolarHBondContact CA-O 3.38Å; T1763-V1802 WeakPolarHBondContact CG2-O 3.38Å; T1763-L1803 HydrophobicContact CG2-CD1 3.92Å; T1763-R1804 PolarHBondContact OG1-N 2.93Å
1764Y92.7Very high88.3Confident45 Ų4547.7 Ų47.718%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-160.4164.1-179.663.3-93.5000111.9K1478 L1479 E1766 V1802K1478-Y1764 HydrophobicContact CD-CD2 4.07Å; K1478-Y1764 HydrophobicContact CD-CE2 4.42Å; K1478-Y1764 HydrophobicContact CD-CG 4.18Å; K1478-Y1764 HydrophobicContact CG-CD2 3.7Å; K1478-Y1764 HydrophobicContact CG-CE2 4.37Å; K1478-Y1764 HydrophobicContact CG-CG 3.99Å; L1479-Y1764 CarbonylContact O-C 3.59Å; L1479-Y1764 VanDerWaalsContact O-CA 3.32Å; L1479-Y1764 WeakPolarHBondContact O-CA 3.36Å; L1479-Y1764 VanDerWaalsContact O-CB 3.29Å; L1479-Y1764 WeakPolarHBondContact O-CB 3.35Å; Y1764-E1766 HydrophobicContact CD2-CG 4Å; Y1764-E1766 HydrophobicContact CE2-CG 3.71Å; Y1764-E1766 WeakPolarHBondContact CE2-OE1 3.42Å; Y1764-V1802 HydrophobicContact CD1-CB 3.94Å; Y1764-V1802 HydrophobicContact CD1-CG1 4.29Å; Y1764-V1802 HydrophobicContact CD2-CB 4.36Å; Y1764-V1802 HydrophobicContact CD2-CG2 4.38Å; Y1764-V1802 HydrophobicContact CE1-CB 3.63Å; Y1764-V1802 HydrophobicContact CE1-CG1 3.79Å; Y1764-V1802 HydrophobicContact CE1-CG2 3.87Å; Y1764-V1802 HydrophobicContact CE2-CB 4.08Å; Y1764-V1802 HydrophobicContact CE2-CG2 3.69Å; Y1764-V1802 HydrophobicContact CG-CB 4.31Å; Y1764-V1802 VanDerWaalsContact CZ-CG2 3.41Å; Y1764-V1802 PolarHBondContact N-O 3.19Å; Y1764-V1802 PolarHBondContact O-N 3.01Å; Y1764-V1802 WeakPolarHBondContact OH-CG2 3.48Å
1765V93Very high88.2Confident0 Ų046 Ų460%025%0.245CC..EExtended strand (participates in β ladder)trans-119.1127177.9-177.70000108.1L1479 F1482 G1511 T1513 L1726 V1767 V1798 R1800 V1801L1479-V1765 HydrophobicContact CB-CB 4.46Å; L1479-V1765 PolarHBondContact N-O 3.19Å; L1479-V1765 PolarHBondContact O-N 3.03Å; F1482-V1765 HydrophobicContact CD2-CG2 4.26Å; G1511-V1765 WeakPolarHBondContact O-CG2 3.41Å; T1513-V1765 HydrophobicContact CG2-CG2 4.47Å; L1726-V1765 HydrophobicContact CD2-CG1 4.22Å; V1765-V1767 HydrophobicContact CG1-CG2 3.92Å; V1765-V1798 HydrophobicContact CG1-CG1 4.06Å; V1765-R1800 CarbonylContact C-O 3.52Å; V1765-R1800 WeakPolarHBondContact CA-O 3.43Å; V1765-V1801 HydrophobicContact CG1-CG2 4.32Å; V1765-V1801 HydrophobicContact CG2-CG1 4.46Å; V1765-V1801 HydrophobicContact CG2-CG2 4.33Å
1766E90.8Very high87.8Confident14 Ų1448.4 Ų48.47%0.06526%0.259CS..EExtended strand (participates in β ladder)trans-95.2126.9167.7-60.7173.8179.100108.4I1476 V1477 Y1764 H1799 R1800I1476-E1766 HydrophobicContact CG2-CB 3.92Å; V1477-E1766 WeakPolarHBondContact O-CA 3.47Å; Y1764-E1766 HydrophobicContact CD2-CG 4Å; Y1764-E1766 HydrophobicContact CE2-CG 3.71Å; Y1764-E1766 WeakPolarHBondContact CE2-OE1 3.42Å; E1766-H1799 WeakPolarHBondContact O-CB 3.29Å; E1766-H1799 PolarHBondContact O-N 3.1Å; E1766-H1799 IonicContact OE2-CD2 2.68Å; E1766-R1800 HydrophobicContact CB-CB 3.99Å; E1766-R1800 HydrophobicContact CG-CB 4.3Å; E1766-R1800 PolarHBondContact N-O 2.82Å; E1766-R1800 PolarHBondContact O-N 2.74Å; E1766-R1800 VanDerWaalsContact O-N 3.12Å; E1766-R1800 IonicContact OE1-NH1 3.11Å; E1766-R1800 PolarHBondContact OE1-NH1 3.48Å; E1766-R1800 WeakPolarHBondContact OE2-CD 3.46Å; E1766-R1800 IonicContact OE2-CZ 3.18Å; E1766-R1800 IonicContact OE2-NE 2.71Å; E1766-R1800 IonicContact OE2-NH1 2.68Å; E1766-R1800 PolarHBondContact OE2-NH1 3.26Å
1767V91Very high87.2Confident0 Ų043.7 Ų43.70%024%0.235CC..EExtended strand (participates in β ladder)trans-117.1129.3178.2175.90000108.9I1476 V1477 L1479 L1726 L1730 V1765 L1769 R1797I1476-V1767 CarbonylContact C-O 3.46Å; I1476-V1767 VanDerWaalsContact CA-O 3.31Å; I1476-V1767 WeakPolarHBondContact CA-O 3.41Å; V1477-V1767 HydrophobicContact CG2-CB 4Å; V1477-V1767 PolarHBondContact N-O 3.24Å; V1477-V1767 PolarHBondContact O-N 2.97Å; L1479-V1767 HydrophobicContact CD1-CB 4.31Å; L1479-V1767 HydrophobicContact CD1-CG2 3.68Å; L1479-V1767 HydrophobicContact CG-CG2 4.48Å; L1726-V1767 HydrophobicContact CD2-CG2 4.01Å; L1730-V1767 HydrophobicContact CD1-CB 4.44Å; L1730-V1767 HydrophobicContact CD1-CG1 3.27Å; L1730-V1767 HydrophobicContact CD1-CG2 4.35Å; L1730-V1767 HydrophobicContact CD2-CG1 4.02Å; L1730-V1767 HydrophobicContact CG-CG1 4.28Å; V1765-V1767 HydrophobicContact CG1-CG2 3.92Å; V1767-L1769 HydrophobicContact CG1-CD2 3.91Å; V1767-R1797 CarbonylContact C-O 3.58Å; V1767-R1797 WeakPolarHBondContact CA-O 3.09Å; V1767-R1797 WeakPolarHBondContact CG1-O 3.2Å
1768D88.7Confident86.4Confident2 Ų250.8 Ų50.81%0.01127%0.273CS..EExtended strand (participates in β ladder)trans-83.7109167.2-173.9-16.5000108.9R1474 D1770 E1771 G1796 R1797 H1799R1474-D1768 WeakPolarHBondContact CD-OD2 3.17Å; R1474-D1768 IonicContact CZ-OD2 2.71Å; R1474-D1768 IonicContact NE-OD2 3.32Å; R1474-D1768 IonicContact NH1-OD2 3.68Å; R1474-D1768 PolarHBondContact NH1-OD2 3.46Å; D1768-D1770 VanDerWaalsContact C-N 3.29Å; D1768-D1770 PolarHBondContact OD1-N 2.94Å; D1768-E1771 HydrophobicContact CB-CB 4.11Å; D1768-E1771 PolarHBondContact OD1-N 3.44Å; D1768-G1796 CarbonylContact O-C 3.28Å; D1768-G1796 WeakPolarHBondContact O-CA 3.44Å; D1768-R1797 PolarHBondContact N-O 3.37Å; D1768-R1797 PolarHBondContact O-N 2.95Å; D1768-H1799 HydrophobicContact CB-CB 4.44Å
1769L87.7Confident85.8Confident35 Ų3551.6 Ų51.618%0.18327%0.271CS..EExtended strand (participates in β ladder)trans-78.3-12-179.7-62.2-179.9000113.6R1475 V1477 L1730 M1740 V1767 K1795R1475-L1769 HydrophobicContact CB-CB 4.22Å; R1475-L1769 WeakPolarHBondContact O-CB 3.27Å; R1475-L1769 PolarHBondContact O-N 3.19Å; V1477-L1769 HydrophobicContact CB-CD1 4.39Å; V1477-L1769 HydrophobicContact CG1-CD1 3.56Å; V1477-L1769 HydrophobicContact CG1-CG 4.22Å; V1477-L1769 HydrophobicContact CG2-CD1 3.9Å; V1477-L1769 HydrophobicContact CG2-CD2 3.92Å; V1477-L1769 HydrophobicContact CG2-CG 3.8Å; L1730-L1769 HydrophobicContact CD2-CD2 3.81Å; M1740-L1769 HydrophobicContact CE-CD1 4.45Å; M1740-L1769 HydrophobicContact CE-CD2 3.96Å; V1767-L1769 HydrophobicContact CG1-CD2 3.91Å; L1769-K1795 WeakPolarHBondContact O-CG 3.48Å
1770D82.8Confident86Confident53 Ų5347.7 Ų47.728%0.28325%0.25SC..EExtended strand (participates in β ladder)trans-98.9-16.6-177.8-66-36.1000112.5R1475 D1768 E1772R1475-D1770 VanDerWaalsContact CB-OD2 3.3Å; R1475-D1770 WeakPolarHBondContact CB-OD2 3.29Å; R1475-D1770 VanDerWaalsContact CG-OD2 3.32Å; R1475-D1770 WeakPolarHBondContact CG-OD2 3.34Å; R1475-D1770 IonicContact CZ-OD1 2.83Å; R1475-D1770 PolarHBondContact N-OD2 3.41Å; R1475-D1770 IonicContact NE-OD1 3.81Å; R1475-D1770 PolarHBondContact NE-OD1 2.89Å; R1475-D1770 IonicContact NE-OD2 3.88Å; R1475-D1770 PolarHBondContact NE-OD2 3.46Å; R1475-D1770 IonicContact NH2-OD1 3.06Å; R1475-D1770 PolarHBondContact NH2-OD1 3.29Å; D1768-D1770 VanDerWaalsContact C-N 3.29Å; D1768-D1770 PolarHBondContact OD1-N 2.94Å; D1770-E1772 PolarHBondContact O-N 3.28Å; D1770-E1772 VanDerWaalsContact O-N 3.13Å
1771E85.2Confident86.3Confident39 Ų3950.1 Ų50.118%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-66.8109.9176-167.6172.9166.700111.2D1768 G1796 R1797D1768-E1771 HydrophobicContact CB-CB 4.11Å; D1768-E1771 PolarHBondContact OD1-N 3.44Å; E1771-G1796 PolarHBondContact O-N 3.02Å; E1771-R1797 HydrophobicContact CB-CB 4.16Å; E1771-R1797 HydrophobicContact CG-CB 4.19Å; E1771-R1797 WeakPolarHBondContact OE1-CD 3.27Å; E1771-R1797 IonicContact OE1-CZ 3.93Å; E1771-R1797 IonicContact OE1-NE 3.72Å; E1771-R1797 IonicContact OE1-NH1 2.73Å; E1771-R1797 PolarHBondContact OE1-NH1 2.84Å
1772E87.8Confident87Confident126 Ų12646.7 Ų46.759%0.58923%0.231SC*.EExtended strand (participates in β ladder)trans-90.8128.9167.2-172.3-178.4160.500109.1D1770 V1794D1770-E1772 PolarHBondContact O-N 3.28Å; D1770-E1772 VanDerWaalsContact O-N 3.13Å; E1772-V1794 WeakPolarHBondContact CA-O 3.43Å
1773W88Confident87.4Confident43 Ų4343.8 Ų43.816%0.16322%0.216CC..EExtended strand (participates in β ladder)trans-151.7160.6-179.564.4-67.9000110.9P1727 I1775 V1794 G1796 R1797P1727-W1773 HydrophobicContact CB-CZ2 3.76Å; P1727-W1773 HydrophobicContact CG-CH2 4.21Å; P1727-W1773 HydrophobicContact CG-CZ2 3.58Å; W1773-I1775 HydrophobicContact CH2-CG1 4.12Å; W1773-I1775 HydrophobicContact CZ2-CG1 4.5Å; W1773-I1775 HydrophobicContact CZ3-CG1 4.21Å; W1773-V1794 HydrophobicContact CD2-CG2 4.22Å; W1773-V1794 HydrophobicContact CG-CG2 4.38Å; W1773-V1794 HydrophobicContact CZ2-CG2 4.15Å; W1773-V1794 PolarHBondContact N-O 3.33Å; W1773-V1794 PolarHBondContact O-N 3Å; W1773-G1796 PolarHBondContact NE1-O 2.79Å; W1773-R1797 HydrophobicContact CD2-CG 4.27Å; W1773-R1797 HydrophobicContact CZ2-CG 3.93Å
1774T91Very high87.2Confident57 Ų5743.3 Ų43.335%0.3521%0.213SC..EExtended strand (participates in β ladder)trans-100.7129.3175.6-55.30000108.7T1776 T1792T1774-T1776 HydrophobicContact CG2-CG2 4.49Å; T1774-T1776 PolarHBondContact O-N 2.92Å; T1774-T1792 WeakPolarHBondContact CA-O 3.32Å
1775I90.3Very high86.9Confident4 Ų442.9 Ų42.92%0.02122%0.223CC..  trans-65.3122174.4-62.7176000108.7T1724 L1728 W1773 T1787 F1789 G1791 T1792 V1794T1724-I1775 HydrophobicContact CG2-CD1 4.25Å; T1724-I1775 HydrophobicContact CG2-CG2 3.81Å; L1728-I1775 HydrophobicContact CD2-CD1 4.46Å; W1773-I1775 HydrophobicContact CH2-CG1 4.12Å; W1773-I1775 HydrophobicContact CZ2-CG1 4.5Å; W1773-I1775 HydrophobicContact CZ3-CG1 4.21Å; I1775-T1787 HydrophobicContact CG2-CG2 3.57Å; I1775-F1789 HydrophobicContact CD1-CB 4.05Å; I1775-F1789 HydrophobicContact CG2-CB 4.37Å; I1775-G1791 PolarHBondContact O-N 3.41Å; I1775-T1792 PolarHBondContact N-O 3.03Å; I1775-V1794 HydrophobicContact CD1-CG1 3.94Å; I1775-V1794 HydrophobicContact CD1-CG2 4.18Å; I1775-V1794 HydrophobicContact CG1-CG1 4.43Å; I1775-V1794 HydrophobicContact CG1-CG2 3.92Å
1776T84.9Confident86.8Confident49 Ų4943.4 Ų43.430%0.30123%0.225SC..  trans-130.9137.9178.8610000111.8T1774 N1778 E1790T1774-T1776 HydrophobicContact CG2-CG2 4.49Å; T1774-T1776 PolarHBondContact O-N 2.92Å; T1776-N1778 VanDerWaalsContact C-N 3.32Å; T1776-N1778 PolarHBondContact O-N 2.93Å; T1776-E1790 VanDerWaalsContact CA-OE1 3.27Å; T1776-E1790 WeakPolarHBondContact CA-OE1 3.41Å
1777G77.1Confident86.9Confident2 Ų242.9 Ų42.92%0.02122%0.223CC..G310 helixtrans-71.1-26.8-173.800000113.5E1779 M1780 G1785 E1790G1777-E1779 VanDerWaalsContact C-N 3.27Å; G1777-E1779 PolarHBondContact O-N 3.37Å; G1777-M1780 WeakPolarHBondContact O-CB 3.19Å; G1777-M1780 WeakPolarHBondContact O-CG 3.48Å; G1777-M1780 PolarHBondContact O-N 3.04Å; G1777-G1785 CarbonylContact O-C 3.51Å; G1777-E1790 VanDerWaalsContact CA-OE2 3.27Å; G1777-E1790 WeakPolarHBondContact CA-OE2 3.43Å; G1777-E1790 PolarHBondContact N-OE1 3.36Å; G1777-E1790 PolarHBondContact N-OE2 3Å
1778N72.6Confident87Confident158 Ų15843 Ų4385%0.84522%0.224SC*.G310 helixtrans-69.2-21.6-177.9-68.4-14.1000113.7T1776T1776-N1778 VanDerWaalsContact C-N 3.32Å; T1776-N1778 PolarHBondContact O-N 2.93Å
1779E75.9Confident87.2Confident79 Ų7943.2 Ų43.237%0.36922%0.224SC..G310 helixtrans-90.3-7178.6-63.9-160145.100113.4R404 G1777 R1797R404-E1779 IonicContact NH1-OE1 3.55Å; R404-E1779 IonicContact NH2-OE1 2.77Å; G1777-E1779 VanDerWaalsContact C-N 3.27Å; G1777-E1779 PolarHBondContact O-N 3.37Å; E1779-R1797 IonicContact OE2-NH2 3.88Å; E1779-R1797 PolarHBondContact OE2-NH2 2.72Å
1780M87.2Confident87.3Confident26 Ų2645.7 Ų45.713%0.12824%0.235CC..  trans-68.5145.5-173.2-62.3-173.781.500112.7E1723 G1777 T1787E1723-M1780 HydrophobicContact CB-CE 3.85Å; E1723-M1780 HydrophobicContact CG-CE 4.35Å; E1723-M1780 WeakPolarHBondContact OE2-CA 3.15Å; E1723-M1780 VanDerWaalsContact OE2-CB 3.29Å; E1723-M1780 WeakPolarHBondContact OE2-CB 3.38Å; E1723-M1780 WeakPolarHBondContact OE2-CG 3.47Å; G1777-M1780 WeakPolarHBondContact O-CB 3.19Å; G1777-M1780 WeakPolarHBondContact O-CG 3.48Å; G1777-M1780 PolarHBondContact O-N 3.04Å; M1780-T1787 HydrophobicContact SD-CG2 3.99Å
1781K91.7Very high87.7Confident78 Ų7845.6 Ų45.634%0.33925%0.246SC..SBendtrans-87-24.9174.7-53.6-49.8179.2-155.30112.5A1505 A1506 A1509 E1723 G1812 V1814A1505-K1781 HydrophobicContact CB-CB 4.03Å; A1506-K1781 HydrophobicContact CB-CB 4.31Å; A1509-K1781 HydrophobicContact CB-CG 4.11Å; E1723-K1781 WeakPolarHBondContact OE1-CA 3.37Å; E1723-K1781 WeakPolarHBondContact OE1-CB 3.43Å; E1723-K1781 PolarHBondContact OE1-N 2.83Å; E1723-K1781 PolarHBondContact OE2-N 2.87Å; K1781-G1812 WeakPolarHBondContact CE-O 3.47Å; K1781-G1812 PolarHBondContact NZ-O 3.37Å; K1781-V1814 HydrophobicContact CG-CG2 4.27Å
1782S92.3Very high87.9Confident4 Ų445.8 Ų45.83%0.02825%0.25CS..SBendtrans-56.7132.7169.5166.10000110.7E1498 E1723 S1784 G1785E1498-S1782 VanDerWaalsContact OE2-CA 3.24Å; E1498-S1782 WeakPolarHBondContact OE2-CA 3.37Å; E1498-S1782 WeakPolarHBondContact OE2-CB 3.47Å; E1498-S1782 PolarHBondContact OE2-OG 3.26Å; E1723-S1782 PolarHBondContact OE1-N 3.21Å; S1782-S1784 PolarHBondContact O-N 2.66Å; S1782-S1784 WeakPolarHBondContact OG-CB 3.47Å; S1782-S1784 PolarHBondContact OG-N 2.77Å; S1782-S1784 PolarHBondContact OG-OG 3.1Å; S1782-G1785 PolarHBondContact O-N 3.18Å
1783K92.4Very high88.1Confident89 Ų8946.3 Ų46.339%0.38725%0.251SS..THydrogen-bonded Turntrans-63.2-12.8176.9-73.9-177.1-169.4179.90113.4T1495 K1497 E1498 D1499 S1502 G1785T1495-K1783 PolarHBondContact O-NZ 2.89Å; K1497-K1783 WeakPolarHBondContact O-CB 3.35Å; E1498-K1783 WeakPolarHBondContact OE1-CB 3.33Å; E1498-K1783 WeakPolarHBondContact OE1-CG 3.4Å; E1498-K1783 PolarHBondContact OE1-N 3.39Å; D1499-K1783 WeakPolarHBondContact OD2-CE 3.42Å; D1499-K1783 IonicContact OD2-NZ 2.71Å; D1499-K1783 PolarHBondContact OD2-NZ 3.01Å; S1502-K1783 WeakPolarHBondContact OG-CE 3.31Å; K1783-G1785 VanDerWaalsContact C-N 3.26Å; K1783-G1785 PolarHBondContact O-N 3.4Å
1784S88.4Confident88.4Confident6 Ų644.4 Ų44.44%0.04224%0.244CC..THydrogen-bonded Turntrans-57.4-39.7173.266.30000112.2H1705 P1720 S1782 W1786H1705-S1784 WeakPolarHBondContact O-CB 3.45Å; P1720-S1784 WeakPolarHBondContact CB-OG 3.33Å; P1720-S1784 WeakPolarHBondContact CG-OG 3.33Å; S1782-S1784 PolarHBondContact O-N 2.66Å; S1782-S1784 WeakPolarHBondContact OG-CB 3.47Å; S1782-S1784 PolarHBondContact OG-N 2.77Å; S1782-S1784 PolarHBondContact OG-OG 3.1Å; S1784-W1786 VanDerWaalsContact O-CD1 3.3Å; S1784-W1786 PolarHBondContact O-N 2.94Å; S1784-W1786 PolarHBondContact OG-O 3.26Å
1785G87.3Confident88.5Confident36 Ų3644.3 Ų44.337%0.37124%0.239SC..  trans64.119.6-177.300000115G1777 S1782 K1783G1777-G1785 CarbonylContact O-C 3.51Å; S1782-G1785 PolarHBondContact O-N 3.18Å; K1783-G1785 VanDerWaalsContact C-N 3.26Å; K1783-G1785 PolarHBondContact O-N 3.4Å
1786W90.7Very high88.5Confident12 Ų1244.1 Ų44.15%0.04524%0.238CC..  trans-154.9162.6178.378.4-79.8000110.9M1672 H1705 L1707 K1710 F1719 P1720 S1784 P1788M1672-W1786 HydrophobicContact CE-CD2 3.84Å; M1672-W1786 HydrophobicContact CE-CE3 3.33Å; M1672-W1786 HydrophobicContact CE-CH2 3.95Å; M1672-W1786 HydrophobicContact CE-CZ2 4.42Å; M1672-W1786 HydrophobicContact CE-CZ3 3.37Å; H1705-W1786 PolarHBondContact O-NE1 3.42Å; L1707-W1786 HydrophobicContact CB-CG 4.44Å; L1707-W1786 HydrophobicContact CD1-CB 4.06Å; L1707-W1786 HydrophobicContact CD1-CD2 4.32Å; L1707-W1786 HydrophobicContact CD1-CG 3.93Å; K1710-W1786 HydrophobicContact CB-CZ2 4.28Å; K1710-W1786 HydrophobicContact CD-CH2 4.28Å; K1710-W1786 HydrophobicContact CD-CZ2 3.83Å; K1710-W1786 HydrophobicContact CG-CH2 4.22Å; K1710-W1786 HydrophobicContact CG-CZ2 3.46Å; K1710-W1786 VanDerWaalsContact CG-CZ2 3.46Å; F1719-W1786 AromaticContact CD1-CH2 3.82Å; F1719-W1786 HydrophobicContact CD1-CH2 3.82Å; F1719-W1786 HydrophobicContact CE1-CH2 4.28Å; P1720-W1786 HydrophobicContact CG-CD2 4.45Å; P1720-W1786 HydrophobicContact CG-CZ2 4.3Å; P1720-W1786 WeakPolarHBondContact CG-O 3.38Å; S1784-W1786 VanDerWaalsContact O-CD1 3.3Å; S1784-W1786 PolarHBondContact O-N 2.94Å; S1784-W1786 PolarHBondContact OG-O 3.26Å; W1786-P1788 HydrophobicContact CZ3-CB 4.41Å
1787T92.1Very high88.8Confident3 Ų344.5 Ų44.52%0.01823%0.233CC..  trans-148.4150.2173.3-175.50000110.9P1720 T1724 I1775 M1780 F1789 E1790P1720-T1787 PolarHBondContact O-OG1 2.77Å; T1724-T1787 HydrophobicContact CG2-CG2 4.15Å; I1775-T1787 HydrophobicContact CG2-CG2 3.57Å; M1780-T1787 HydrophobicContact SD-CG2 3.99Å; T1787-F1789 HydrophobicContact CG2-CB 4.45Å; T1787-F1789 PolarHBondContact O-N 3.45Å; T1787-F1789 VanDerWaalsContact O-N 3.17Å; T1787-E1790 PolarHBondContact O-N 2.82Å
1788P92.4Very high89.5Confident3 Ų344.7 Ų44.72%0.01923%0.234CC..THydrogen-bonded Turntrans-67.8-9.217630-39.3000113.9L1660 R1667 L1668 F1719 W1786 E1790L1660-P1788 HydrophobicContact CD1-CB 3.74Å; L1660-P1788 HydrophobicContact CD1-CG 4Å; R1667-P1788 PolarHBondContact NH1-O 3.35Å; L1668-P1788 HydrophobicContact CD1-CB 4.24Å; L1668-P1788 HydrophobicContact CD2-CB 4.07Å; L1668-P1788 WeakPolarHBondContact CD2-O 3.09Å; F1719-P1788 HydrophobicContact CB-CG 4.01Å; F1719-P1788 HydrophobicContact CD1-CB 4.47Å; F1719-P1788 HydrophobicContact CD1-CG 4.21Å; F1719-P1788 HydrophobicContact CD2-CB 4.47Å; F1719-P1788 HydrophobicContact CD2-CG 3.89Å; F1719-P1788 HydrophobicContact CE2-CG 4.41Å; F1719-P1788 HydrophobicContact CG-CB 4.44Å; F1719-P1788 HydrophobicContact CG-CG 3.78Å; W1786-P1788 HydrophobicContact CZ3-CB 4.41Å; P1788-E1790 VanDerWaalsContact C-N 3.35Å
1789F93.6Very high90.2Very high6 Ų637.3 Ų37.33%0.02619%0.194CC..THydrogen-bonded Turntrans-95.515.3176.4-53-75.6000113.1H1656 F1659 L1660 L1728 I1775 T1787 G1791 T1792H1656-F1789 HydrophobicContact CB-CZ 4.09Å; F1659-F1789 HydrophobicContact CB-CE1 3.74Å; F1659-F1789 HydrophobicContact CB-CZ 4.34Å; L1660-F1789 HydrophobicContact CD1-CE1 3.89Å; L1660-F1789 HydrophobicContact CD1-CZ 3.97Å; L1660-F1789 HydrophobicContact CD2-CD1 4.19Å; L1660-F1789 HydrophobicContact CD2-CE1 3.85Å; L1660-F1789 HydrophobicContact CG-CD1 4.43Å; L1660-F1789 HydrophobicContact CG-CE1 3.66Å; L1660-F1789 HydrophobicContact CG-CZ 4.11Å; L1728-F1789 HydrophobicContact CD1-CD1 3.98Å; L1728-F1789 HydrophobicContact CD1-CD2 3.73Å; L1728-F1789 HydrophobicContact CD1-CE1 3.72Å; L1728-F1789 HydrophobicContact CD1-CE2 3.46Å; L1728-F1789 VanDerWaalsContact CD1-CE2 3.46Å; L1728-F1789 HydrophobicContact CD1-CG 3.96Å; L1728-F1789 HydrophobicContact CD1-CZ 3.44Å; L1728-F1789 VanDerWaalsContact CD1-CZ 3.44Å; L1728-F1789 HydrophobicContact CD2-CD1 3.85Å; L1728-F1789 HydrophobicContact CD2-CE1 4.1Å; L1728-F1789 HydrophobicContact CD2-CG 4.19Å; I1775-F1789 HydrophobicContact CD1-CB 4.05Å; I1775-F1789 HydrophobicContact CG2-CB 4.37Å; T1787-F1789 HydrophobicContact CG2-CB 4.45Å; T1787-F1789 PolarHBondContact O-N 3.45Å; T1787-F1789 VanDerWaalsContact O-N 3.17Å; F1789-G1791 PolarHBondContact O-N 3.2Å; F1789-T1792 VanDerWaalsContact O-CB 3.25Å; F1789-T1792 WeakPolarHBondContact O-CB 3.3Å; F1789-T1792 PolarHBondContact O-N 2.97Å; F1789-T1792 PolarHBondContact O-OG1 2.94Å
1790E90.1Very high90.9Very high86 Ų8633.7 Ų33.740%0.40218%0.178SC..THydrogen-bonded Turntrans-52128.8175.4-167.272.7-156.200110.8T1776 G1777 T1787 P1788 T1792T1776-E1790 VanDerWaalsContact CA-OE1 3.27Å; T1776-E1790 WeakPolarHBondContact CA-OE1 3.41Å; G1777-E1790 VanDerWaalsContact CA-OE2 3.27Å; G1777-E1790 WeakPolarHBondContact CA-OE2 3.43Å; G1777-E1790 PolarHBondContact N-OE1 3.36Å; G1777-E1790 PolarHBondContact N-OE2 3Å; T1787-E1790 PolarHBondContact O-N 2.82Å; P1788-E1790 VanDerWaalsContact C-N 3.35Å; E1790-T1792 VanDerWaalsContact C-N 3.27Å; E1790-T1792 PolarHBondContact O-N 3.34Å
1791G89.9Confident91.2Very high51 Ų5132.5 Ų32.553%0.52617%0.172SC..THydrogen-bonded Turntrans80.9-1.1179.600000114.8I1775 F1789 K1793I1775-G1791 PolarHBondContact O-N 3.41Å; F1789-G1791 PolarHBondContact O-N 3.2Å; G1791-K1793 PolarHBondContact O-N 2.93Å
1792T90.8Very high91.1Very high44 Ų4429 Ų2927%0.2716%0.157SC..  trans-73124.8173.8-54.80000110.2T1774 I1775 F1789 E1790 V1794T1774-T1792 WeakPolarHBondContact CA-O 3.32Å; I1775-T1792 PolarHBondContact N-O 3.03Å; F1789-T1792 VanDerWaalsContact O-CB 3.25Å; F1789-T1792 WeakPolarHBondContact O-CB 3.3Å; F1789-T1792 PolarHBondContact O-N 2.97Å; F1789-T1792 PolarHBondContact O-OG1 2.94Å; E1790-T1792 VanDerWaalsContact C-N 3.27Å; E1790-T1792 PolarHBondContact O-N 3.34Å; T1792-V1794 HydrophobicContact CG2-CG1 4.06Å
1793K92.6Very high91.2Very high137 Ų13728.8 Ų28.860%0.59616%0.156SC*.EExtended strand (participates in β ladder)trans-79.3130.3169.5-69.7-171.9174.6-166.50109.7G1791G1791-K1793 PolarHBondContact O-N 2.93Å
1794V93.5Very high91Very high2 Ų227.6 Ų27.61%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-134.7152.7178.9-65.90000110.1P1727 Q1731 E1772 W1773 I1775 T1792P1727-V1794 HydrophobicContact CB-CG2 4.1Å; Q1731-V1794 HydrophobicContact CB-CB 4.27Å; Q1731-V1794 HydrophobicContact CB-CG1 4.13Å; Q1731-V1794 HydrophobicContact CG-CG1 4.37Å; E1772-V1794 WeakPolarHBondContact CA-O 3.43Å; W1773-V1794 HydrophobicContact CD2-CG2 4.22Å; W1773-V1794 HydrophobicContact CG-CG2 4.38Å; W1773-V1794 HydrophobicContact CZ2-CG2 4.15Å; W1773-V1794 PolarHBondContact N-O 3.33Å; W1773-V1794 PolarHBondContact O-N 3Å; I1775-V1794 HydrophobicContact CD1-CG1 3.94Å; I1775-V1794 HydrophobicContact CD1-CG2 4.18Å; I1775-V1794 HydrophobicContact CG1-CG1 4.43Å; I1775-V1794 HydrophobicContact CG1-CG2 3.92Å; T1792-V1794 HydrophobicContact CG2-CG1 4.06Å
1795K92.2Very high90.8Very high56 Ų5629.1 Ų29.124%0.24317%0.165CC..EExtended strand (participates in β ladder)trans-113123173.4-164.5172.3-174.1166.90110.1L1769L1769-K1795 WeakPolarHBondContact O-CG 3.48Å
1796G90.7Very high90.8Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans114.9120.4-170.600000111.9D1768 E1771 W1773D1768-G1796 CarbonylContact O-C 3.28Å; D1768-G1796 WeakPolarHBondContact O-CA 3.44Å; E1771-G1796 PolarHBondContact O-N 3.02Å; W1773-G1796 PolarHBondContact NE1-O 2.79Å
1797R91Very high90.6Very high56 Ų5633.2 Ų33.221%0.21118%0.177CC..EExtended strand (participates in β ladder)trans-133.4144.6175.3-160.8174.5-170171.94.7111.6V1767 D1768 E1771 W1773 E1779 H1799V1767-R1797 CarbonylContact C-O 3.58Å; V1767-R1797 WeakPolarHBondContact CA-O 3.09Å; V1767-R1797 WeakPolarHBondContact CG1-O 3.2Å; D1768-R1797 PolarHBondContact N-O 3.37Å; D1768-R1797 PolarHBondContact O-N 2.95Å; E1771-R1797 HydrophobicContact CB-CB 4.16Å; E1771-R1797 HydrophobicContact CG-CB 4.19Å; E1771-R1797 WeakPolarHBondContact OE1-CD 3.27Å; E1771-R1797 IonicContact OE1-CZ 3.93Å; E1771-R1797 IonicContact OE1-NE 3.72Å; E1771-R1797 IonicContact OE1-NH1 2.73Å; E1771-R1797 PolarHBondContact OE1-NH1 2.84Å; W1773-R1797 HydrophobicContact CD2-CG 4.27Å; W1773-R1797 HydrophobicContact CZ2-CG 3.93Å; E1779-R1797 IonicContact OE2-NH2 3.88Å; E1779-R1797 PolarHBondContact OE2-NH2 2.72Å; R1797-H1799 PolarHBondContact O-N 2.97Å; R1797-H1799 VanDerWaalsContact O-N 3.13Å
1798V91.9Very high90.6Very high6 Ų633 Ų334%0.03618%0.176CC..EExtended strand (participates in β ladder)trans-64.9113.4169.4-179.20000108.2L1726 V1765 V1801 F1809L1726-V1798 HydrophobicContact CD2-CG2 3.59Å; L1726-V1798 HydrophobicContact CG-CG2 4.38Å; V1765-V1798 HydrophobicContact CG1-CG1 4.06Å; V1798-V1801 HydrophobicContact CG1-CG2 3.75Å; V1798-F1809 HydrophobicContact CB-CE1 4.22Å; V1798-F1809 HydrophobicContact CG1-CD1 3.88Å; V1798-F1809 HydrophobicContact CG1-CE1 3.76Å
1799H87.2Confident90.6Very high3 Ų333.3 Ų33.31%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-88.4-47.2178.6176.454.5000110.7K459 E1766 D1768 R1797 V1810 D1811K459-H1799 PolarHBondContact NZ-CE1 2.88Å; K459-H1799 PolarHBondContact NZ-NE2 2.97Å; E1766-H1799 WeakPolarHBondContact O-CB 3.29Å; E1766-H1799 PolarHBondContact O-N 3.1Å; E1766-H1799 IonicContact OE2-CD2 2.68Å; D1768-H1799 HydrophobicContact CB-CB 4.44Å; R1797-H1799 PolarHBondContact O-N 2.97Å; R1797-H1799 VanDerWaalsContact O-N 3.13Å; H1799-V1810 WeakPolarHBondContact O-CA 3.41Å; H1799-D1811 IonicContact CE1-OD1 3.03Å; H1799-D1811 PolarHBondContact CE1-OD1 2.87Å; H1799-D1811 IonicContact CE1-OD2 3.02Å; H1799-D1811 IonicContact ND1-OD1 3.72Å; H1799-D1811 PolarHBondContact ND1-OD1 3.45Å; H1799-D1811 PolarHBondContact O-N 2.89Å
1800R90.3Very high90.3Very high4 Ų433 Ų332%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-147.1144.8-176.7-171-178.3-70.3150.9-6.5111.4S476 E477 T1466 V1765 E1766 V1802 V1807 F1809 V1810S476-R1800 PolarHBondContact O-NH2 2.88Å; S476-R1800 PolarHBondContact OG-NH2 3.02Å; E477-R1800 IonicContact OE1-NH2 2.65Å; E477-R1800 PolarHBondContact OE1-NH2 2.81Å; T1466-R1800 PolarHBondContact OG1-NH1 3.43Å; V1765-R1800 CarbonylContact C-O 3.52Å; V1765-R1800 WeakPolarHBondContact CA-O 3.43Å; E1766-R1800 HydrophobicContact CB-CB 3.99Å; E1766-R1800 HydrophobicContact CG-CB 4.3Å; E1766-R1800 PolarHBondContact N-O 2.82Å; E1766-R1800 PolarHBondContact O-N 2.74Å; E1766-R1800 VanDerWaalsContact O-N 3.12Å; E1766-R1800 IonicContact OE1-NH1 3.11Å; E1766-R1800 PolarHBondContact OE1-NH1 3.48Å; E1766-R1800 WeakPolarHBondContact OE2-CD 3.46Å; E1766-R1800 IonicContact OE2-CZ 3.18Å; E1766-R1800 IonicContact OE2-NE 2.71Å; E1766-R1800 IonicContact OE2-NH1 2.68Å; E1766-R1800 PolarHBondContact OE2-NH1 3.26Å; R1800-V1802 HydrophobicContact CG-CG2 4.17Å; R1800-V1807 HydrophobicContact CG-CG1 3.86Å; R1800-F1809 CarbonylContact C-O 3.54Å; R1800-F1809 VanDerWaalsContact CA-O 3.3Å; R1800-F1809 WeakPolarHBondContact CA-O 3.37Å; R1800-F1809 WeakPolarHBondContact CG-O 3.21Å; R1800-V1810 HydrophobicContact CG-CB 4.5Å
1801V94.2Very high89.8Confident0 Ų031.4 Ų31.40%017%0.17CC..EExtended strand (participates in β ladder)trans-123.1122166.4-176.30000108.7L1508 T1513 V1765 V1798 A1808 F1809L1508-V1801 HydrophobicContact CD2-CB 4.44Å; L1508-V1801 HydrophobicContact CD2-CG1 3.86Å; L1508-V1801 WeakPolarHBondContact O-CG2 3.47Å; T1513-V1801 HydrophobicContact CG2-CG1 3.39Å; V1765-V1801 HydrophobicContact CG1-CG2 4.32Å; V1765-V1801 HydrophobicContact CG2-CG1 4.46Å; V1765-V1801 HydrophobicContact CG2-CG2 4.33Å; V1798-V1801 HydrophobicContact CG1-CG2 3.75Å; V1801-A1808 PolarHBondContact O-N 2.89Å; V1801-F1809 HydrophobicContact CB-CB 3.99Å; V1801-F1809 HydrophobicContact CG2-CB 4.11Å; V1801-F1809 HydrophobicContact CG2-CD1 4.21Å; V1801-F1809 PolarHBondContact N-O 2.75Å; V1801-F1809 PolarHBondContact O-N 2.9Å
1802V90.8Very high89.4Confident5 Ų530 Ų303%0.0316%0.155CC..EExtended strand (participates in β ladder)trans-104.1123.2171.5-179.90000107.8T1763 Y1764 R1800 E1806 V1807T1763-V1802 CarbonylContact C-O 3.47Å; T1763-V1802 WeakPolarHBondContact CA-O 3.38Å; T1763-V1802 WeakPolarHBondContact CG2-O 3.38Å; Y1764-V1802 HydrophobicContact CD1-CB 3.94Å; Y1764-V1802 HydrophobicContact CD1-CG1 4.29Å; Y1764-V1802 HydrophobicContact CD2-CB 4.36Å; Y1764-V1802 HydrophobicContact CD2-CG2 4.38Å; Y1764-V1802 HydrophobicContact CE1-CB 3.63Å; Y1764-V1802 HydrophobicContact CE1-CG1 3.79Å; Y1764-V1802 HydrophobicContact CE1-CG2 3.87Å; Y1764-V1802 HydrophobicContact CE2-CB 4.08Å; Y1764-V1802 HydrophobicContact CE2-CG2 3.69Å; Y1764-V1802 HydrophobicContact CG-CB 4.31Å; Y1764-V1802 VanDerWaalsContact CZ-CG2 3.41Å; Y1764-V1802 PolarHBondContact N-O 3.19Å; Y1764-V1802 PolarHBondContact O-N 3.01Å; Y1764-V1802 WeakPolarHBondContact OH-CG2 3.48Å; R1800-V1802 HydrophobicContact CG-CG2 4.17Å; V1802-E1806 CarbonylContact C-O 3.53Å; V1802-E1806 WeakPolarHBondContact CA-O 3.47Å; V1802-V1807 HydrophobicContact CG2-CG2 4.27Å
1803L92.7Very high89.2Confident0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-117.8110.7-179.8-179.761.7000108.7C1544 T1763 G1805 E1806 A1808 F1820C1544-L1803 HydrophobicContact CB-CD2 4.3Å; T1763-L1803 HydrophobicContact CG2-CD1 3.92Å; L1803-G1805 VanDerWaalsContact C-N 3.31Å; L1803-G1805 PolarHBondContact O-N 3.34Å; L1803-E1806 PolarHBondContact N-O 3.08Å; L1803-E1806 PolarHBondContact O-N 2.8Å; L1803-E1806 VanDerWaalsContact O-N 3.1Å; L1803-A1808 HydrophobicContact CB-CB 3.87Å; L1803-F1820 HydrophobicContact CB-CE1 4.29Å; L1803-F1820 HydrophobicContact CD2-CD1 3.97Å; L1803-F1820 HydrophobicContact CD2-CE1 3.82Å; L1803-F1820 HydrophobicContact CG-CE1 4.03Å
1804R89.7Confident89.1Confident64 Ų6426.9 Ų26.924%0.24214%0.142CC..THydrogen-bonded Turntrans5345.6-178-54.7-177.5-59.8-81.84.1112.9D1545 T1763 E1806 F1820D1545-R1804 IonicContact OD1-CZ 2.68Å; D1545-R1804 IonicContact OD1-NH1 3.89Å; D1545-R1804 PolarHBondContact OD1-NH1 2.86Å; D1545-R1804 IonicContact OD2-NH1 3.25Å; D1545-R1804 PolarHBondContact OD2-NH1 2.88Å; T1763-R1804 PolarHBondContact OG1-N 2.93Å; R1804-E1806 VanDerWaalsContact C-N 3.26Å; R1804-E1806 PolarHBondContact O-N 2.88Å; R1804-F1820 PolarHBondContact NH2-O 2.94Å
1805G82.9Confident88.9Confident37 Ų3728.9 Ų28.938%0.38115%0.152SC..THydrogen-bonded Turntrans81.3-11.1-17900000115.5Q1762 L1803Q1762-G1805 PolarHBondContact O-N 2.97Å; L1803-G1805 VanDerWaalsContact C-N 3.31Å; L1803-G1805 PolarHBondContact O-N 3.34Å
1806E86.9Confident88.9Confident97 Ų9726.8 Ų26.845%0.45314%0.144SC..EExtended strand (participates in β ladder)trans-98.3135.3177.4-69.8-62.3155.500111.8V1802 L1803 R1804 A1808 F1820V1802-E1806 CarbonylContact C-O 3.53Å; V1802-E1806 WeakPolarHBondContact CA-O 3.47Å; L1803-E1806 PolarHBondContact N-O 3.08Å; L1803-E1806 PolarHBondContact O-N 2.8Å; L1803-E1806 VanDerWaalsContact O-N 3.1Å; R1804-E1806 VanDerWaalsContact C-N 3.26Å; R1804-E1806 PolarHBondContact O-N 2.88Å; E1806-A1808 PolarHBondContact O-N 3.26Å; E1806-F1820 HydrophobicContact CB-CE1 4.48Å; E1806-F1820 HydrophobicContact CB-CE2 4.37Å; E1806-F1820 HydrophobicContact CB-CZ 3.72Å; E1806-F1820 HydrophobicContact CG-CE2 4.22Å; E1806-F1820 HydrophobicContact CG-CZ 3.91Å
1807V87.3Confident88.9Confident37 Ų3733.3 Ų33.322%0.22418%0.175CC..EExtended strand (participates in β ladder)trans-70.3103.9175-174.50000108.7R1800 V1802 V1810 L1815R1800-V1807 HydrophobicContact CG-CG1 3.86Å; V1802-V1807 HydrophobicContact CG2-CG2 4.27Å; V1807-V1810 HydrophobicContact CG1-CB 4.09Å; V1807-V1810 HydrophobicContact CG1-CG1 4.37Å; V1807-L1815 HydrophobicContact CB-CD1 4.3Å; V1807-L1815 HydrophobicContact CG1-CD1 3.95Å
1808A91.8Very high89Confident0 Ų033.4 Ų33.40%018%0.182CC..EExtended strand (participates in β ladder)trans-86.3-35.1-177.400000112.5L1508 V1801 L1803 E1806 L1815 V1816L1508-A1808 HydrophobicContact CD1-CB 3.95Å; L1508-A1808 HydrophobicContact CD2-CB 3.76Å; L1508-A1808 HydrophobicContact CG-CB 4.48Å; V1801-A1808 PolarHBondContact O-N 2.89Å; L1803-A1808 HydrophobicContact CB-CB 3.87Å; E1806-A1808 PolarHBondContact O-N 3.26Å; A1808-L1815 PolarHBondContact O-N 2.98Å; A1808-V1816 HydrophobicContact CB-CG1 3.96Å; A1808-V1816 HydrophobicContact CB-CG2 3.79Å
1809F92.4Very high89Confident8 Ų834.8 Ų34.84%0.03520%0.198CC..EExtended strand (participates in β ladder)trans-140.7142.1177173.5-89.4000110.5L1508 A1509 V1798 R1800 V1801 G1812 Q1813 V1814L1508-F1809 HydrophobicContact CB-CB 4.03Å; A1509-F1809 VanDerWaalsContact CA-CE2 3.49Å; A1509-F1809 HydrophobicContact CB-CD2 4.06Å; A1509-F1809 HydrophobicContact CB-CE2 3.48Å; A1509-F1809 VanDerWaalsContact CB-CE2 3.48Å; A1509-F1809 HydrophobicContact CB-CZ 3.91Å; V1798-F1809 HydrophobicContact CB-CE1 4.22Å; V1798-F1809 HydrophobicContact CG1-CD1 3.88Å; V1798-F1809 HydrophobicContact CG1-CE1 3.76Å; R1800-F1809 CarbonylContact C-O 3.54Å; R1800-F1809 VanDerWaalsContact CA-O 3.3Å; R1800-F1809 WeakPolarHBondContact CA-O 3.37Å; R1800-F1809 WeakPolarHBondContact CG-O 3.21Å; V1801-F1809 HydrophobicContact CB-CB 3.99Å; V1801-F1809 HydrophobicContact CG2-CB 4.11Å; V1801-F1809 HydrophobicContact CG2-CD1 4.21Å; V1801-F1809 PolarHBondContact N-O 2.75Å; V1801-F1809 PolarHBondContact O-N 2.9Å; F1809-G1812 VanDerWaalsContact CE2-C 3.5Å; F1809-G1812 VanDerWaalsContact CE2-CA 3.48Å; F1809-G1812 VanDerWaalsContact CZ-N 3.28Å; F1809-Q1813 CarbonylContact C-O 3.58Å; F1809-Q1813 VanDerWaalsContact CA-O 3.27Å; F1809-Q1813 WeakPolarHBondContact CA-O 3.21Å; F1809-Q1813 WeakPolarHBondContact CD2-O 3.49Å; F1809-V1814 HydrophobicContact CD2-CG2 3.8Å; F1809-V1814 HydrophobicContact CE2-CG2 4.47Å
1810V87.9Confident89.4Confident0 Ų037.6 Ų37.60%021%0.21CC..EExtended strand (participates in β ladder)trans-153.7132.3172.563.90000110.1R478 H1799 R1800 V1807 G1812 Q1813 L1815R478-V1810 HydrophobicContact CB-CG1 4.45Å; R478-V1810 HydrophobicContact CG-CG1 3.53Å; H1799-V1810 WeakPolarHBondContact O-CA 3.41Å; R1800-V1810 HydrophobicContact CG-CB 4.5Å; V1807-V1810 HydrophobicContact CG1-CB 4.09Å; V1807-V1810 HydrophobicContact CG1-CG1 4.37Å; V1810-G1812 VanDerWaalsContact C-N 3.31Å; V1810-G1812 PolarHBondContact O-N 3.23Å; V1810-G1812 VanDerWaalsContact O-N 3.15Å; V1810-Q1813 PolarHBondContact N-O 3.28Å; V1810-Q1813 WeakPolarHBondContact O-CB 2.69Å; V1810-Q1813 PolarHBondContact O-N 3.43Å; V1810-L1815 HydrophobicContact CG1-CD1 3.69Å; V1810-L1815 HydrophobicContact CG1-CG 4.16Å
1811D78.9Confident89.5Confident52 Ų5237.7 Ų37.728%0.27821%0.212SC..THydrogen-bonded Turntrans46.147.2173.9-61.3-42.1000114.9K405 H1799 Q1813K405-D1811 IonicContact NZ-OD2 2.62Å; K405-D1811 PolarHBondContact NZ-OD2 3.15Å; H1799-D1811 IonicContact CE1-OD1 3.03Å; H1799-D1811 PolarHBondContact CE1-OD1 2.87Å; H1799-D1811 IonicContact CE1-OD2 3.02Å; H1799-D1811 IonicContact ND1-OD1 3.72Å; H1799-D1811 PolarHBondContact ND1-OD1 3.45Å; H1799-D1811 PolarHBondContact O-N 2.89Å; D1811-Q1813 VanDerWaalsContact C-N 3.3Å; D1811-Q1813 PolarHBondContact O-N 3.09Å
1812G82.3Confident89.4Confident21 Ų2141.3 Ų41.322%0.21623%0.229CC..THydrogen-bonded Turntrans81.70.5179.100000115K1781 F1809 V1810K1781-G1812 WeakPolarHBondContact CE-O 3.47Å; K1781-G1812 PolarHBondContact NZ-O 3.37Å; F1809-G1812 VanDerWaalsContact CE2-C 3.5Å; F1809-G1812 VanDerWaalsContact CE2-CA 3.48Å; F1809-G1812 VanDerWaalsContact CZ-N 3.28Å; V1810-G1812 VanDerWaalsContact C-N 3.31Å; V1810-G1812 PolarHBondContact O-N 3.23Å; V1810-G1812 VanDerWaalsContact O-N 3.15Å
1813Q85.8Confident89.5Confident88 Ų8842.1 Ų42.141%0.41123%0.233SC..EExtended strand (participates in β ladder)trans-108131.3177.9-59.9-175.1700111.6F1809 V1810 D1811 L1815F1809-Q1813 CarbonylContact C-O 3.58Å; F1809-Q1813 VanDerWaalsContact CA-O 3.27Å; F1809-Q1813 WeakPolarHBondContact CA-O 3.21Å; F1809-Q1813 WeakPolarHBondContact CD2-O 3.49Å; V1810-Q1813 PolarHBondContact N-O 3.28Å; V1810-Q1813 WeakPolarHBondContact O-CB 2.69Å; V1810-Q1813 PolarHBondContact O-N 3.43Å; D1811-Q1813 VanDerWaalsContact C-N 3.3Å; D1811-Q1813 PolarHBondContact O-N 3.09Å; Q1813-L1815 HydrophobicContact CB-CD2 4.38Å
1814V90.3Very high89.3Confident29 Ų2943 Ų4318%0.17624%0.238CC..EExtended strand (participates in β ladder)trans-93115.9171.7179.90000108.3A1505 L1508 K1781 F1809 V1816A1505-V1814 HydrophobicContact CB-CG1 4.31Å; A1505-V1814 HydrophobicContact CB-CG2 3.98Å; L1508-V1814 HydrophobicContact CD1-CG1 3.92Å; K1781-V1814 HydrophobicContact CG-CG2 4.27Å; F1809-V1814 HydrophobicContact CD2-CG2 3.8Å; F1809-V1814 HydrophobicContact CE2-CG2 4.47Å; V1814-V1816 HydrophobicContact CG1-CG2 4.1Å
1815L89Confident88.9Confident44 Ų4441.7 Ų41.723%0.2323%0.233CC..  trans-93.8-28.9-172.7-60.6-177.6000113.4V1807 A1808 V1810 Q1813V1807-L1815 HydrophobicContact CB-CD1 4.3Å; V1807-L1815 HydrophobicContact CG1-CD1 3.95Å; A1808-L1815 PolarHBondContact O-N 2.98Å; V1810-L1815 HydrophobicContact CG1-CD1 3.69Å; V1810-L1815 HydrophobicContact CG1-CG 4.16Å; Q1813-L1815 HydrophobicContact CB-CD2 4.38Å
1816V92Very high87.8Confident11 Ų1143.7 Ų43.77%0.06724%0.24CC..SBendtrans-74.9138177.6-75.10000110.8L1508 R1543 A1808 V1814 F1820L1508-V1816 HydrophobicContact CD1-CG2 3.57Å; R1543-V1816 HydrophobicContact CB-CG2 3.95Å; R1543-V1816 PolarHBondContact NH1-O 3.45Å; A1808-V1816 HydrophobicContact CB-CG1 3.96Å; A1808-V1816 HydrophobicContact CB-CG2 3.79Å; V1814-V1816 HydrophobicContact CG1-CG2 4.1Å; V1816-F1820 HydrophobicContact CB-CB 3.91Å; V1816-F1820 HydrophobicContact CB-CD1 3.91Å; V1816-F1820 HydrophobicContact CB-CG 3.86Å; V1816-F1820 HydrophobicContact CG1-CB 4.27Å; V1816-F1820 HydrophobicContact CG1-CD1 3.49Å; V1816-F1820 VanDerWaalsContact CG1-CD1 3.49Å; V1816-F1820 HydrophobicContact CG1-CD2 4.04Å; V1816-F1820 HydrophobicContact CG1-CE1 3.74Å; V1816-F1820 HydrophobicContact CG1-CE2 4.27Å; V1816-F1820 HydrophobicContact CG1-CG 3.66Å; V1816-F1820 HydrophobicContact CG1-CZ 4.13Å; V1816-F1820 HydrophobicContact CG2-CD1 4.4Å
1817Q91.8Very high86Confident138 Ų13845.8 Ų45.865%0.64525%0.247SC*.PPolyproline II helixtrans-78.4156177.7-61.4-59.5-22.900110.9G1819 F1820Q1817-G1819 PolarHBondContact O-N 2.88Å; Q1817-F1820 WeakPolarHBondContact O-CB 3.21Å; Q1817-F1820 PolarHBondContact O-N 3.45Å
1818P93.1Very high83.5Confident57 Ų5753.1 Ų53.137%0.3728%0.279SS..THydrogen-bonded Turntrans-50.3134168.3-25.335.4000111.3A1501 A1540 G1541A1501-P1818 HydrophobicContact CB-CB 4.03Å; A1501-P1818 HydrophobicContact CB-CG 3.93Å; A1540-P1818 CarbonylContact O-C 3.35Å; G1541-P1818 WeakPolarHBondContact O-CA 3.47Å; G1541-P1818 WeakPolarHBondContact O-CB 3.06Å
1819G92.2Very high80.6Confident35 Ų3557.6 Ų57.636%0.36131%0.311SS..THydrogen-bonded Turntrans93.51.3-17700000115.1K1539 A1540 A1542 Q1817K1539-G1819 VanDerWaalsContact O-CA 3.29Å; K1539-G1819 WeakPolarHBondContact O-CA 3.4Å; A1540-G1819 WeakPolarHBondContact O-CA 3.41Å; A1540-G1819 PolarHBondContact O-N 2.92Å; A1540-G1819 VanDerWaalsContact O-N 3.12Å; A1542-G1819 CarbonylContact O-C 3.57Å; A1542-G1819 WeakPolarHBondContact O-CA 2.66Å; A1542-G1819 PolarHBondContact O-N 3.23Å; Q1817-G1819 PolarHBondContact O-N 2.88Å
1820F94.4Very high77.8Confident63 Ų6363.2 Ų63.228%0.27635%0.348SS..  trans-72.2-31.3171.7-174.6-98.6000112.9A1542 L1803 R1804 E1806 V1816 Q1817A1542-F1820 PolarHBondContact O-N 3.03Å; A1542-F1820 VanDerWaalsContact O-N 3.11Å; L1803-F1820 HydrophobicContact CB-CE1 4.29Å; L1803-F1820 HydrophobicContact CD2-CD1 3.97Å; L1803-F1820 HydrophobicContact CD2-CE1 3.82Å; L1803-F1820 HydrophobicContact CG-CE1 4.03Å; R1804-F1820 PolarHBondContact NH2-O 2.94Å; E1806-F1820 HydrophobicContact CB-CE1 4.48Å; E1806-F1820 HydrophobicContact CB-CE2 4.37Å; E1806-F1820 HydrophobicContact CB-CZ 3.72Å; E1806-F1820 HydrophobicContact CG-CE2 4.22Å; E1806-F1820 HydrophobicContact CG-CZ 3.91Å; V1816-F1820 HydrophobicContact CB-CB 3.91Å; V1816-F1820 HydrophobicContact CB-CD1 3.91Å; V1816-F1820 HydrophobicContact CB-CG 3.86Å; V1816-F1820 HydrophobicContact CG1-CB 4.27Å; V1816-F1820 HydrophobicContact CG1-CD1 3.49Å; V1816-F1820 VanDerWaalsContact CG1-CD1 3.49Å; V1816-F1820 HydrophobicContact CG1-CD2 4.04Å; V1816-F1820 HydrophobicContact CG1-CE1 3.74Å; V1816-F1820 HydrophobicContact CG1-CE2 4.27Å; V1816-F1820 HydrophobicContact CG1-CG 3.66Å; V1816-F1820 HydrophobicContact CG1-CZ 4.13Å; V1816-F1820 HydrophobicContact CG2-CD1 4.4Å; Q1817-F1820 WeakPolarHBondContact O-CB 3.21Å; Q1817-F1820 PolarHBondContact O-N 3.45Å
1821G93.2Very high75Confident5 Ų571.7 Ų71.75%0.05239%0.392CS..  trans-63.8143.1178.900000112.7A1542 C1544A1542-G1821 PolarHBondContact O-N 3.2Å; C1544-G1821 WeakPolarHBondContact O-CA 3.48Å
1822Q92Very high72.6Confident77 Ų7772.9 Ų72.936%0.3641%0.409SS..  trans-115.7144.5178.8-61.1-175.35.900111.2D1545 Y1546 V1824D1545-Q1822 WeakPolarHBondContact CA-O 3.46Å; D1545-Q1822 WeakPolarHBondContact OD1-CB 3.47Å; D1545-Q1822 PolarHBondContact OD1-N 2.85Å; Y1546-Q1822 PolarHBondContact N-O 2.63Å; Q1822-V1824 PolarHBondContact O-N 2.62Å
1823N91.7Very high70Confident21 Ų2177.8 Ų77.811%0.11244%0.44CS..BIsolated β-bridgetrans-70.6122.9166-170-21.9000109.5Y1546 R1825 P1826Y1546-N1823 HydrophobicContact CD2-CB 4.26Å; Y1546-N1823 HydrophobicContact CE2-CB 3.57Å; Y1546-N1823 WeakPolarHBondContact O-CA 3.47Å; N1823-R1825 PolarHBondContact OD1-N 3.22Å; N1823-R1825 VanDerWaalsContact OD1-N 3.07Å; N1823-P1826 HydrophobicContact CB-CG 4.29Å; N1823-P1826 WeakPolarHBondContact O-CD 3.14Å; N1823-P1826 WeakPolarHBondContact OD1-CD 3.49Å
1824V89.6Confident67.2Low18 Ų1882.2 Ų82.211%0.10946%0.461CS..SBendtrans-81.4-10-176.1-61.70000114.6L1514 D1545 Y1546 A1547 L1757 P1758 Q1822L1514-V1824 HydrophobicContact CD1-CG1 3.76Å; L1514-V1824 HydrophobicContact CD1-CG2 3.97Å; L1514-V1824 HydrophobicContact CD2-CG2 4.43Å; D1545-V1824 HydrophobicContact CB-CG1 3.91Å; Y1546-V1824 PolarHBondContact O-N 2.81Å; Y1546-V1824 VanDerWaalsContact O-N 3.11Å; A1547-V1824 HydrophobicContact CB-CG2 3.87Å; L1757-V1824 HydrophobicContact CD2-CG2 4.03Å; P1758-V1824 HydrophobicContact CG-CB 3.76Å; P1758-V1824 HydrophobicContact CG-CG1 4.37Å; P1758-V1824 HydrophobicContact CG-CG2 4.5Å; Q1822-V1824 PolarHBondContact O-N 2.62Å
1825R80.3Confident64.1Low37 Ų3785 Ų8514%0.1449%0.487CS..SBendtrans-82.6-41.9-177.2-81.8-72-164.4-135.9-9116.2H1566 A1567 C1568 F1755 N1756 N1823 K1827H1566-R1825 WeakPolarHBondContact O-CB 3.44Å; H1566-R1825 WeakPolarHBondContact O-CG 3.46Å; A1567-R1825 PolarHBondContact O-NE 2.87Å; C1568-R1825 PolarHBondContact O-NH2 2.95Å; F1755-R1825 PolarHBondContact O-NH2 2.77Å; N1756-R1825 PolarHBondContact O-NH1 2.82Å; N1823-R1825 PolarHBondContact OD1-N 3.22Å; N1823-R1825 VanDerWaalsContact OD1-N 3.07Å; R1825-K1827 PolarHBondContact O-N 2.89Å; R1825-K1827 VanDerWaalsContact O-N 3.08Å
1826P60.6Low61.1Low80 Ų8088.3 Ų88.352%0.51951%0.514SS..SBendtrans-65.3-12.7-174.9-22.432.2000115.7N1823 Q1828N1823-P1826 HydrophobicContact CB-CG 4.29Å; N1823-P1826 WeakPolarHBondContact O-CD 3.14Å; N1823-P1826 WeakPolarHBondContact OD1-CD 3.49Å; P1826-Q1828 PolarHBondContact O-N 3.31Å
1827K49.6Very low57.8Low141 Ų14196.3 Ų96.361%0.61355%0.551SS**  trans-86.583.8179.5-81.6179.1172.9168.40111.8R1825R1825-K1827 PolarHBondContact O-N 2.89Å; R1825-K1827 VanDerWaalsContact O-N 3.08Å
1828Q34Very low54.6Low190 Ų19097 Ų9789%0.88856%0.559SS**  trans-105.488.4142.7-81.5-172.2-7.600107.9P1826P1826-Q1828 PolarHBondContact O-N 3.31Å
1829S32.4Very low51.4Low95 Ų95102.4 Ų102.466%0.66458%0.584SS**  trans-77.9140.5160.1-52.10000107.9L1831S1829-L1831 PolarHBondContact O-N 3.47Å
1830P32Very low48.2Very low125 Ų125108.3 Ų108.381%0.81261%0.606SS**  trans-62.2130.7-178.324.2-30000109.6A1832P1830-A1832 PolarHBondContact O-N 3.4Å
1831L30.2Very low44.9Very low178 Ų178110.8 Ų110.893%0.93263%0.629SS**  trans-43.7106175-81.2144.1000110.2S1829 S1833S1829-L1831 PolarHBondContact O-N 3.47Å; L1831-S1833 PolarHBondContact O-N 3.13Å
1832A28.3Very low41.7Very low78 Ų78115 Ų11565%0.64566%0.657SS**  trans-66.1124.1160.800000106.9P1830 E1834P1830-A1832 PolarHBondContact O-N 3.4Å; A1832-E1834 PolarHBondContact O-N 2.94Å
1833S26.5Very low38.8Very low124 Ų124118.3 Ų118.387%0.86768%0.678SS**  trans-66.383.4170.456.60000108.7L1831 A1835L1831-S1833 PolarHBondContact O-N 3.13Å; S1833-A1835 PolarHBondContact O-N 2.73Å
1834E27.8Very low35.8Very low180 Ų180124.1 Ų124.184%0.84171%0.708SS**  trans-80.4119.2170.5-79.6-175163.600108.9A1832A1832-E1834 PolarHBondContact O-N 2.94Å
1835A26.1Very low32.9Very low87 Ų87128.9 Ų128.972%0.71973%0.733SS**  trans-49.6145.1174.800000110.6S1833 Q1837S1833-A1835 PolarHBondContact O-N 2.73Å; A1835-Q1837 VanDerWaalsContact C-N 3.26Å; A1835-Q1837 PolarHBondContact O-N 3.09Å
1836S24.5Very low30.5Very low115 Ų115130.6 Ų130.680%0.80476%0.755SS**  trans-51.188.3168.651.60000110.5D1838S1836-D1838 PolarHBondContact O-N 2.89Å
1837Q24.5Very low29Very low178 Ų178133.4 Ų133.483%0.83277%0.766SS**  trans-70.9116.5153.3-78.8-173.3-17.400105.2A1835 L1839A1835-Q1837 VanDerWaalsContact C-N 3.26Å; A1835-Q1837 PolarHBondContact O-N 3.09Å; Q1837-L1839 PolarHBondContact O-N 3.06Å
1838D24.3Very low28.1Very low153 Ų153131.8 Ų131.882%0.81876%0.764SS**  trans-48.8103172.7-70.4-45.5000108.4S1836 L1840S1836-D1838 PolarHBondContact O-N 2.89Å; D1838-L1840 VanDerWaalsContact C-N 3.34Å; D1838-L1840 PolarHBondContact O-N 3.06Å
1839L25.1Very low27.9Very low170 Ų170126.7 Ų126.789%0.8975%0.746SS**  trans-63.1100.3173.1-77.2166.6000106.1Q1837Q1837-L1839 PolarHBondContact O-N 3.06Å
1840L24.2Very low28Very low160 Ų160125.8 Ų125.884%0.83873%0.73SS**PPolyproline II helixtrans-50.2124.4162.7-72.5166000106.9D1838 S1842D1838-L1840 VanDerWaalsContact C-N 3.34Å; D1838-L1840 PolarHBondContact O-N 3.06Å; L1840-S1842 PolarHBondContact O-N 2.95Å
1841P25.3Very low28Very low115 Ų115124.3 Ų124.375%0.74772%0.719SS**PPolyproline II helixtrans-57.8130.3-175.718.1-27.8000109.9
1842S26.8Very low28Very low94 Ų94125 Ų12566%0.65771%0.709SS**PPolyproline II helixtrans-60.3137-174.966.20000112L1840 N1844L1840-S1842 PolarHBondContact O-N 2.95Å; S1842-N1844 PolarHBondContact O-N 3.41Å
1843D31.6Very low28Very low146 Ų146127.2 Ų127.278%0.78171%0.71SS**THydrogen-bonded Turntrans-57.314-169.8-66.2-48000118.9
1844N29.2Very low28.2Very low142 Ų142127.3 Ų127.376%0.75970%0.7SS**THydrogen-bonded Turntrans-103.10.3-174.2-79.1-28.6000116.6S1842S1842-N1844 PolarHBondContact O-N 3.41Å
1845D28.1Very low28.4Very low118 Ų118123.4 Ų123.463%0.63169%0.688SS**SBendtrans-101.67.5-179.1-78.5-19.3000115T1849D1845-T1849 PolarHBondContact O-N 2.81Å; D1845-T1849 PolarHBondContact O-OG1 3.13Å
1846A29.2Very low28.6Very low73 Ų73124.7 Ų124.760%0.60369%0.692SS**Hα-helixtrans-68-37.7-177.400000113.8F1850A1846-F1850 PolarHBondContact O-N 3.07Å
1847N29Very low28.8Very low139 Ų139128.2 Ų128.274%0.74370%0.696SS**Hα-helixtrans-75.1-31.7-177.8-83.6-15.5000113.5T1851N1847-T1851 PolarHBondContact O-OG1 3.15Å
1848D31.5Very low29Very low108 Ų108123 Ų12358%0.57869%0.69SS**Hα-helixtrans-77.4-25.4-179-119.420.4000112.3
1849T28.9Very low29.1Very low82 Ų82122.5 Ų122.550%0.50370%0.695SS.*Hα-helixtrans-77.1-32.2175.9-480000111.7D1845 R1852D1845-T1849 PolarHBondContact O-N 2.81Å; D1845-T1849 PolarHBondContact O-OG1 3.13Å; T1849-R1852 PolarHBondContact O-N 3.37Å
1850F34.3Very low29.2Very low77 Ų77117.8 Ų117.834%0.33869%0.688SS.*Hα-helixtrans-77.1-35-175.7-156.7-104.9000113.6D1265 A1846 R1852 L1853 L1854D1265-F1850 HydrophobicContact CB-CE1 4.12Å; D1265-F1850 HydrophobicContact CB-CE2 4.32Å; D1265-F1850 HydrophobicContact CB-CZ 3.56Å; A1846-F1850 PolarHBondContact O-N 3.07Å; F1850-R1852 PolarHBondContact O-N 2.77Å; F1850-L1853 PolarHBondContact O-N 3.15Å; F1850-L1854 HydrophobicContact CD1-CD1 3.65Å; F1850-L1854 HydrophobicContact CD1-CG 4Å; F1850-L1854 HydrophobicContact CE1-CD1 3.55Å; F1850-L1854 HydrophobicContact CE1-CD2 4.07Å; F1850-L1854 HydrophobicContact CE1-CG 3.79Å; F1850-L1854 HydrophobicContact CZ-CD2 4.46Å; F1850-L1854 HydrophobicContact CZ-CG 4.48Å; F1850-L1854 PolarHBondContact O-N 3.19Å; F1850-L1854 VanDerWaalsContact O-N 3.12Å
1851T33.3Very low29.2Very low94 Ų94114.1 Ų114.158%0.57769%0.688SS**Hα-helixtrans-61-28.4173.7-47.50000111.7N1847 T1855N1847-T1851 PolarHBondContact O-OG1 3.15Å; T1851-T1855 PolarHBondContact O-OG1 3.16Å
1852R30.6Very low29Very low192 Ų192112.4 Ų112.473%0.72569%0.691SS**Hα-helixtrans-78.9-17.3174.3-64.6-177.8-172.7170.56.4114.1T1849 F1850T1849-R1852 PolarHBondContact O-N 3.37Å; F1850-R1852 PolarHBondContact O-N 2.77Å
1853L28.3Very low28.9Very low125 Ų125115 Ų11565%0.65470%0.703SS**Hα-helixtrans-94.8-30.2-179.3-81.2160.2000112.9F1850 T1855F1850-L1853 PolarHBondContact O-N 3.15Å; L1853-T1855 VanDerWaalsContact C-N 3.3Å
1854L30.3Very low28.5Very low126 Ų126117.3 Ų117.366%0.6671%0.709SS**Hα-helixtrans-75.5-18176.2-72.2172.4000113.5F1850 S1856F1850-L1854 HydrophobicContact CD1-CD1 3.65Å; F1850-L1854 HydrophobicContact CD1-CG 4Å; F1850-L1854 HydrophobicContact CE1-CD1 3.55Å; F1850-L1854 HydrophobicContact CE1-CD2 4.07Å; F1850-L1854 HydrophobicContact CE1-CG 3.79Å; F1850-L1854 HydrophobicContact CZ-CD2 4.46Å; F1850-L1854 HydrophobicContact CZ-CG 4.48Å; F1850-L1854 PolarHBondContact O-N 3.19Å; F1850-L1854 VanDerWaalsContact O-N 3.12Å; L1854-S1856 PolarHBondContact O-N 2.97Å
1855T31Very low28.2Very low97 Ų97113.9 Ų113.960%0.59571%0.707SS**SBendtrans-87.592.5171.944.60000108.8T1851 L1853 E1857T1851-T1855 PolarHBondContact O-OG1 3.16Å; L1853-T1855 VanDerWaalsContact C-N 3.3Å; T1855-E1857 VanDerWaalsContact C-N 3.28Å; T1855-E1857 PolarHBondContact O-N 3.01Å
1856S31.7Very low28.1Very low115 Ų115116.4 Ų116.480%0.80472%0.719SS**  trans-69.377.9179.859.70000112.1L1854L1854-S1856 PolarHBondContact O-N 2.97Å
1857E26.9Very low27.7Very low189 Ų189117.3 Ų117.388%0.88372%0.72SS**  trans-129.885.9157.7-74.5-163.9169.300109T1855T1855-E1857 VanDerWaalsContact C-N 3.28Å; T1855-E1857 PolarHBondContact O-N 3.01Å
1858G29.1Very low27.5Very low69 Ų69116.9 Ų116.971%0.71172%0.723SS**  trans-68.6136.7169.900000110.8G1860G1858-G1860 PolarHBondContact O-N 2.94Å
1859P26.7Very low27Very low142 Ų142119.8 Ų119.892%0.92273%0.73SS**  trans-78.993.9-179.130.7-31.1000110
1860G26.6Very low26.8Very low71 Ų71122.1 Ų122.173%0.73275%0.745SS**  trans-131.7101.7173.400000112.1G1858G1858-G1860 PolarHBondContact O-N 2.94Å
1861G24.1Very low26.3Very low82 Ų82125.6 Ų125.685%0.84576%0.761SS**  trans64.7101.9147.900000117.8
1862G21.8Very low25.8Very low79 Ų79130.7 Ų130.781%0.81478%0.776SS**  trans-63.5146.6179.600000116.1
1863V25.7Very low25.6Very low149 Ų149127.9 Ų127.990%0.90378%0.78SS**  trans-138.7127.7141.7179.40000107.3
1864H22.8Very low25.4Very low195 Ų195129.4 Ų129.490%0.90379%0.789SS**  trans-54.5145.4179.7-74.7-81.3000114.5
1865G22.8Very low25.3Very low70 Ų70126.8 Ų126.872%0.72279%0.792SS**  trans142.5104.9138.600000117.9
1866I25.1Very low25.1Very low171 Ų171126.6 Ų126.688%0.87780%0.8SS**  trans91.297.5149.4-50.3173.9000117.4
1867S20.9Very low25Very low91 Ų91128.5 Ų128.564%0.63680%0.801SS**  trans-42.7131.1156.3141.60000114.8
1868T24.8Very low24.9Very low131 Ų131129.5 Ų129.580%0.80480%0.803SS**  trans-138.8108.7137.339.90000110.1
1869K21.5Very low24.9Very low168 Ų168133.9 Ų133.973%0.7381%0.809SS**  trans-50.5131.3169.6-63.4173.1174.2-178.70111
1870V24.5Very low24.8Very low132 Ų132138.3 Ų138.380%0.881%0.808SS**  trans-119.4109155.5-175.70000107
1871H24.6Very low24.8Very low149 Ų149140.9 Ų140.969%0.6981%0.811SS**  trans-68.8126.2178.3-87-88.2000110.1V1873H1871-V1873 PolarHBondContact O-N 3.2Å
1872F21.8Very low24.9Very low201 Ų201144.2 Ų144.288%0.88281%0.81SS**  trans-65.9120.3161.7-68.4-89.6000108.2
1873V26.6Very low25Very low133 Ų133145.6 Ų145.681%0.80681%0.807SS**  trans-105.8111.5169.3176.10000107.5H1871H1871-V1873 PolarHBondContact O-N 3.2Å
1874D25Very low24.9Very low158 Ų158143.9 Ų143.985%0.84580%0.799SS**  trans-57137.6162.7-67.4-49.8000110.8
1875G26.9Very low25Very low71 Ų71139.3 Ų139.373%0.73279%0.789SS**  trans170.288.6173.600000113.4N1877G1875-N1877 PolarHBondContact O-N 3.41Å
1876A27.5Very low25.1Very low93 Ų93141.9 Ų141.977%0.76979%0.793SS**  trans-55.1115.5165.400000110.7
1877N29.6Very low25Very low154 Ų154144.6 Ų144.682%0.82479%0.793SS**  trans-147.2104.6159-97.9-28.3000109.5G1875 L1879G1875-N1877 PolarHBondContact O-N 3.41Å; N1877-L1879 PolarHBondContact O-N 3.42Å; N1877-L1879 VanDerWaalsContact O-N 3.09Å
1878F25.6Very low25.3Very low210 Ų210147.3 Ų147.392%0.92180%0.798SS**  trans-62.999.9169.3-76.3-95.7000109.7
1879L27.3Very low25.4Very low161 Ų161150.3 Ų150.384%0.84380%0.795SS**  trans-118.5124.1160.8-77.3170.9000109N1877N1877-L1879 PolarHBondContact O-N 3.42Å; N1877-L1879 VanDerWaalsContact O-N 3.09Å
1880R24.5Very low25.6Very low236 Ų236148.5 Ų148.589%0.89179%0.792SS**  trans-47.8134.6-175.5-67.3176.8175.4-175.8-2.8111.6N1882R1880-N1882 PolarHBondContact O-N 2.96Å
1881P27.3Very low25.6Very low124 Ų124149.8 Ų149.881%0.80580%0.795SS**  trans-69.3108.8173.926.8-29.6000109.1S1883P1881-S1883 PolarHBondContact O-N 3.41Å
1882N26.7Very low25.8Very low152 Ų152145.4 Ų145.481%0.81378%0.781SS**  trans-55.4129.5154.7-83.1-20000107.3R1880 P1884R1880-N1882 PolarHBondContact O-N 2.96Å; N1882-P1884 VanDerWaalsContact O-N 3.16Å
1883S23.5Very low26.4Very low108 Ų108140.7 Ų140.776%0.75578%0.779SS**  trans-40115.4178.232.30000111.1P1881 S1885P1881-S1883 PolarHBondContact O-N 3.41Å; S1883-S1885 PolarHBondContact O-N 3.28Å; S1883-S1885 VanDerWaalsContact O-N 3.1Å
1884P24.1Very low27Very low113 Ų113136.5 Ų136.573%0.73476%0.756SS**  trans-69.3116.6179.424.6-28.7000108.6N1882N1882-P1884 VanDerWaalsContact O-N 3.16Å
1885S24.2Very low27.5Very low100 Ų100132.6 Ų132.670%0.69974%0.735SS**  trans-47.3140.7155.8-39.10000108.4S1883 R1887S1883-S1885 PolarHBondContact O-N 3.28Å; S1883-S1885 VanDerWaalsContact O-N 3.1Å; S1885-R1887 PolarHBondContact O-N 3.19Å
1886P25.8Very low28.2Very low124 Ų124133.4 Ų133.481%0.80573%0.726SS**  trans-58105-170.721.8-31.7000110.1I1888P1886-I1888 PolarHBondContact O-N 2.94Å
1887R22.8Very low29.1Very low228 Ų228131.3 Ų131.386%0.8670%0.704SS**  trans-68112167.9-82.9-174.8169.6173.8-2.5106.9S1885 R1889S1885-R1887 PolarHBondContact O-N 3.19Å; R1887-R1889 PolarHBondContact O-N 3.18Å
1888I27.3Very low30.3Very low148 Ų148124.6 Ų124.676%0.75967%0.667SS**  trans-60.1101.7169.2-60.2170.3000106.7P1886 L1890P1886-I1888 PolarHBondContact O-N 2.94Å; I1888-L1890 PolarHBondContact O-N 3.37Å
1889R26.2Very low31.3Very low194 Ų194119.9 Ų119.973%0.73264%0.643SS**  trans-70.9113.1-177.1-78.5-178.6170.8-170.4-9.6109.4D1260 R1887D1260-R1889 IonicContact OD2-CZ 2.7Å; D1260-R1889 IonicContact OD2-NH2 3.81Å; D1260-R1889 PolarHBondContact OD2-NH2 3.32Å; R1887-R1889 PolarHBondContact O-N 3.18Å
1890L25.8Very low32.3Very low129 Ų129116.8 Ų116.868%0.67563%0.625SS**  trans-88.9-14-179.6-88.5157.4000114.5I1888 N1895I1888-L1890 PolarHBondContact O-N 3.37Å; L1890-N1895 PolarHBondContact O-ND2 2.7Å
1891D24.8Very low33.7Very low160 Ų160108.6 Ų108.686%0.85659%0.594SS**  trans-112.990.4-172.5-64.3-29.6000112
1892S28.7Very low35Very low56 Ų56105.1 Ų105.139%0.39257%0.569SS.*  trans-126.4140.2162.177.20000109.3S1894 N1895S1892-S1894 PolarHBondContact O-N 3.24Å; S1892-S1894 WeakPolarHBondContact OG-CB 3.48Å; S1892-S1894 PolarHBondContact OG-N 2.71Å; S1892-S1894 PolarHBondContact OG-OG 3.29Å; S1892-N1895 WeakPolarHBondContact O-CB 3.44Å; S1892-N1895 PolarHBondContact O-N 3.19Å
1893A33.8Very low36.1Very low103 Ų103102 Ų10285%0.85155%0.549SS*.THydrogen-bonded Turntrans-61.7-8.817000000112.8N1895 T1896A1893-N1895 PolarHBondContact O-N 3.07Å; A1893-T1896 PolarHBondContact O-N 3.17Å
1894S39Very low36.7Very low44 Ų44104.9 Ų104.931%0.30854%0.544SS..THydrogen-bonded Turntrans-68.1-5.516688.50000113.4S1892 T1896S1892-S1894 PolarHBondContact O-N 3.24Å; S1892-S1894 WeakPolarHBondContact OG-CB 3.48Å; S1892-S1894 PolarHBondContact OG-N 2.71Å; S1892-S1894 PolarHBondContact OG-OG 3.29Å; S1894-T1896 PolarHBondContact O-N 2.85Å
1895N36.8Very low37.4Very low76 Ų76106.2 Ų106.241%0.40655%0.55SS..  trans-69.426.6163.8-75-19.6000113.3L1890 S1892 A1893 T1897L1890-N1895 PolarHBondContact O-ND2 2.7Å; S1892-N1895 WeakPolarHBondContact O-CB 3.44Å; S1892-N1895 PolarHBondContact O-N 3.19Å; A1893-N1895 PolarHBondContact O-N 3.07Å; N1895-T1897 WeakPolarHBondContact O-CA 3.42Å; N1895-T1897 VanDerWaalsContact O-CG2 3.28Å; N1895-T1897 WeakPolarHBondContact O-CG2 3.3Å; N1895-T1897 PolarHBondContact O-N 3.11Å
1896T42Very low38.2Very low88 Ų88107.4 Ų107.454%0.5455%0.553SS.*  trans-52.397.9150.5-29.80000105.1A1893 S1894 L1898 E1900A1893-T1896 PolarHBondContact O-N 3.17Å; S1894-T1896 PolarHBondContact O-N 2.85Å; T1896-L1898 PolarHBondContact O-N 3.03Å; T1896-E1900 WeakPolarHBondContact CG2-OE2 3.25Å
1897T44.8Very low38.9Very low50 Ų50108.1 Ų108.131%0.30755%0.55SS..  trans-65.4144.6-154.444.60000108.7N1895 R1899 E1900 Y1901N1895-T1897 WeakPolarHBondContact O-CA 3.42Å; N1895-T1897 VanDerWaalsContact O-CG2 3.28Å; N1895-T1897 WeakPolarHBondContact O-CG2 3.3Å; N1895-T1897 PolarHBondContact O-N 3.11Å; T1897-R1899 CarbonylContact O-C 3.41Å; T1897-R1899 PolarHBondContact O-N 3.18Å; T1897-R1899 WeakPolarHBondContact OG1-CB 3.43Å; T1897-E1900 WeakPolarHBondContact O-CA 3.32Å; T1897-E1900 WeakPolarHBondContact O-CB 3.4Å; T1897-E1900 PolarHBondContact O-N 3.32Å; T1897-E1900 WeakPolarHBondContact OG1-CG 3.44Å; T1897-E1900 PolarHBondContact OG1-N 3.03Å; T1897-Y1901 PolarHBondContact O-N 3.09Å
1898L54.4Low39.6Very low12 Ų12101.3 Ų101.36%0.06354%0.537CS..Hα-helixtrans-54.3-23.8166.1-140.5148.3000110.2T1896 L1902 L1937 L1940 L1941 V1951 L1954T1896-L1898 PolarHBondContact O-N 3.03Å; L1898-L1902 HydrophobicContact CD2-CD1 4.35Å; L1898-L1902 WeakPolarHBondContact O-CG 3.44Å; L1898-L1902 PolarHBondContact O-N 3.35Å; L1898-L1937 HydrophobicContact CD2-CD1 3.86Å; L1898-L1940 HydrophobicContact CD1-CD2 3.27Å; L1898-L1940 HydrophobicContact CD2-CD2 4.43Å; L1898-L1940 HydrophobicContact CG-CD2 3.59Å; L1898-L1941 HydrophobicContact CD1-CD2 3.89Å; L1898-L1941 HydrophobicContact CD2-CD2 4.27Å; L1898-V1951 HydrophobicContact CD1-CG1 4.23Å; L1898-L1954 HydrophobicContact CB-CD2 4.38Å; L1898-L1954 HydrophobicContact CD1-CD1 4.41Å; L1898-L1954 HydrophobicContact CD2-CD1 3.67Å; L1898-L1954 HydrophobicContact CD2-CD2 3.78Å; L1898-L1954 HydrophobicContact CD2-CG 4.33Å
1899R47.8Very low40.4Very low111 Ų11196.4 Ų96.442%0.41951%0.513SS..Hα-helixtrans-56.8-54162.3-68.7-177.1175.2174.31113.3T1897 Y1901 L1902 Q1903T1897-R1899 CarbonylContact O-C 3.41Å; T1897-R1899 PolarHBondContact O-N 3.18Å; T1897-R1899 WeakPolarHBondContact OG1-CB 3.43Å; R1899-Y1901 VanDerWaalsContact C-N 3.3Å; R1899-Y1901 PolarHBondContact O-N 3.24Å; R1899-L1902 CarbonylContact O-C 3.59Å; R1899-L1902 WeakPolarHBondContact O-CA 3.11Å; R1899-L1902 WeakPolarHBondContact O-CB 3.18Å; R1899-L1902 PolarHBondContact O-N 3.16Å; R1899-Q1903 WeakPolarHBondContact O-CA 3.29Å; R1899-Q1903 WeakPolarHBondContact O-CB 3.05Å; R1899-Q1903 WeakPolarHBondContact O-CG 3.25Å; R1899-Q1903 PolarHBondContact O-N 3.3Å
1900E48.8Very low41.5Very low96 Ų9691.6 Ų91.645%0.44951%0.507SS..Hα-helixtrans-55.5-39.5177.1-83.8174.1-140.900113.6T1896 T1897 L1902 Q1903 R1904T1896-E1900 WeakPolarHBondContact CG2-OE2 3.25Å; T1897-E1900 WeakPolarHBondContact O-CA 3.32Å; T1897-E1900 WeakPolarHBondContact O-CB 3.4Å; T1897-E1900 PolarHBondContact O-N 3.32Å; T1897-E1900 WeakPolarHBondContact OG1-CG 3.44Å; T1897-E1900 PolarHBondContact OG1-N 3.03Å; E1900-L1902 VanDerWaalsContact C-N 3.27Å; E1900-L1902 PolarHBondContact O-N 3.37Å; E1900-Q1903 CarbonylContact O-C 3.54Å; E1900-Q1903 PolarHBondContact O-N 3.44Å; E1900-Q1903 VanDerWaalsContact O-N 3.09Å; E1900-R1904 WeakPolarHBondContact O-CG 3.08Å; E1900-R1904 PolarHBondContact O-N 2.84Å
1901Y54Low42.7Very low65 Ų6586.2 Ų86.226%0.25548%0.479SS..Hα-helixtrans-62.8-36.1174.5-172-98.5000112.1T1897 R1899 N1936 L1937T1897-Y1901 PolarHBondContact O-N 3.09Å; R1899-Y1901 VanDerWaalsContact C-N 3.3Å; R1899-Y1901 PolarHBondContact O-N 3.24Å; Y1901-N1936 WeakPolarHBondContact OH-CB 3.33Å; Y1901-L1937 HydrophobicContact CD1-CD1 4.36Å; Y1901-L1937 HydrophobicContact CE1-CB 4.47Å
1902L54.2Low44.1Very low51 Ų5179.5 Ų79.527%0.26745%0.446SS..Hα-helixtrans-80.5-17.5172.9-66170.1000113.4L1898 R1899 E1900 L1937 L1954L1898-L1902 HydrophobicContact CD2-CD1 4.35Å; L1898-L1902 WeakPolarHBondContact O-CG 3.44Å; L1898-L1902 PolarHBondContact O-N 3.35Å; R1899-L1902 CarbonylContact O-C 3.59Å; R1899-L1902 WeakPolarHBondContact O-CA 3.11Å; R1899-L1902 WeakPolarHBondContact O-CB 3.18Å; R1899-L1902 PolarHBondContact O-N 3.16Å; E1900-L1902 VanDerWaalsContact C-N 3.27Å; E1900-L1902 PolarHBondContact O-N 3.37Å; L1902-L1937 HydrophobicContact CD2-CD2 4.4Å; L1902-L1954 HydrophobicContact CD1-CD2 3.67Å
1903Q48.6Very low45.3Very low87 Ų8782.7 Ų82.741%0.40746%0.455SS..Hα-helixtrans-114.2-7.3-168.9-73.6179.1-17.500115.6R1899 E1900 T1905R1899-Q1903 WeakPolarHBondContact O-CA 3.29Å; R1899-Q1903 WeakPolarHBondContact O-CB 3.05Å; R1899-Q1903 WeakPolarHBondContact O-CG 3.25Å; R1899-Q1903 PolarHBondContact O-N 3.3Å; E1900-Q1903 CarbonylContact O-C 3.54Å; E1900-Q1903 PolarHBondContact O-N 3.44Å; E1900-Q1903 VanDerWaalsContact O-N 3.09Å; Q1903-T1905 WeakPolarHBondContact O-CG2 3.1Å; Q1903-T1905 PolarHBondContact O-N 3.45Å
1904R36.9Very low47.1Very low168 Ų16879.8 Ų79.863%0.63443%0.428SS*.  trans-40.8100.3-177-91.3-176.2178.9-173.1-1.7112E1900E1900-R1904 WeakPolarHBondContact O-CG 3.08Å; E1900-R1904 PolarHBondContact O-N 2.84Å
1905T39.4Very low49.1Very low140 Ų14077.9 Ų77.986%0.85941%0.414SS*.SBendtrans-82.7-13.1-175.6350000113Q1903Q1903-T1905 WeakPolarHBondContact O-CG2 3.1Å; Q1903-T1905 PolarHBondContact O-N 3.45Å
1906T41.1Very low51.3Low126 Ų12678.9 Ų78.977%0.77342%0.418SS*.SBendtrans-92.1-23.6-177.451.60000114.2
1907N40.8Very low53.3Low138 Ų13877 Ų7774%0.73842%0.416SS*.SBendtrans-141.993.2167.3-86.4-26.8000106.6N1909N1907-N1909 PolarHBondContact O-N 3.48Å; N1907-N1909 VanDerWaalsContact O-N 3.11Å
1908S35.6Very low55.4Low85 Ų8580.6 Ų80.659%0.59443%0.427SS*.  trans-45.5119.6176.3530000109.6P1910S1908-P1910 WeakPolarHBondContact O-CD 3.5Å; S1908-P1910 WeakPolarHBondContact O-CG 3.35Å
1909N46Very low57.2Low45 Ų4582.8 Ų82.824%0.24144%0.437CS..  trans-68.6102.1166.1-168.8-14.1000106.6N1907 V1911 A1912 D1933N1907-N1909 PolarHBondContact O-N 3.48Å; N1907-N1909 VanDerWaalsContact O-N 3.11Å; N1909-V1911 PolarHBondContact O-N 3.35Å; N1909-A1912 PolarHBondContact O-N 3.04Å; N1909-D1933 PolarHBondContact ND2-OD1 3.27Å; N1909-D1933 PolarHBondContact OD1-OD2 3.28Å
1910P48.8Very low59.3Low94 Ų9477.5 Ų77.561%0.6142%0.417SS*.THydrogen-bonded Turntrans-63.9-22.6-167.3-1631.1000111.9S1908 S1914S1908-P1910 WeakPolarHBondContact O-CD 3.5Å; S1908-P1910 WeakPolarHBondContact O-CG 3.35Å; P1910-S1914 PolarHBondContact O-N 2.98Å
1911V50.8Low61.3Low15 Ų1575.2 Ų75.29%0.09141%0.407CS..THydrogen-bonded Turntrans-86-41.3-169.5-176.20000111.9N1909 H1913 S1914 D1929 H1930 D1933N1909-V1911 PolarHBondContact O-N 3.35Å; V1911-H1913 PolarHBondContact O-N 3.34Å; V1911-S1914 WeakPolarHBondContact O-CB 3.29Å; V1911-S1914 PolarHBondContact O-N 2.88Å; V1911-S1914 PolarHBondContact O-OG 3.44Å; V1911-D1929 HydrophobicContact CG2-CB 3.76Å; V1911-H1930 VanDerWaalsContact CG1-CA 3.46Å; V1911-H1930 HydrophobicContact CG1-CB 4.29Å; V1911-H1930 VanDerWaalsContact CG1-CD2 3.41Å; V1911-H1930 WeakPolarHBondContact CG1-CD2 3.39Å; V1911-D1933 HydrophobicContact CB-CB 4.43Å; V1911-D1933 WeakPolarHBondContact CB-OD2 3.47Å; V1911-D1933 HydrophobicContact CG1-CB 4.07Å; V1911-D1933 WeakPolarHBondContact CG1-OD2 3.24Å; V1911-D1933 VanDerWaalsContact CG2-OD2 3.22Å; V1911-D1933 WeakPolarHBondContact CG2-OD2 3.33Å
1912A52.9Low63.1Low20 Ų2073 Ų7317%0.16540%0.403CS..Hα-helixtrans-60-37.8177.600000111.7N1909 S1914 M2215N1909-A1912 PolarHBondContact O-N 3.04Å; A1912-S1914 VanDerWaalsContact C-N 3.33Å; A1912-M2215 HydrophobicContact CB-CE 4.24Å
1913H55.1Low64.7Low123 Ų12370.8 Ų70.857%0.56939%0.391SS*.Hα-helixtrans-72.3-22.4173.1-82.5-65.9000114.1V1911V1911-H1913 PolarHBondContact O-N 3.34Å
1914S70.6Confident66.4Low42 Ų4271.9 Ų71.929%0.29440%0.4SS..Hα-helixtrans-73.2-30.8-177.476.80000113.9P1910 V1911 A1912 K1918 H1930P1910-S1914 PolarHBondContact O-N 2.98Å; V1911-S1914 WeakPolarHBondContact O-CB 3.29Å; V1911-S1914 PolarHBondContact O-N 2.88Å; V1911-S1914 PolarHBondContact O-OG 3.44Å; A1912-S1914 VanDerWaalsContact C-N 3.33Å; S1914-K1918 VanDerWaalsContact O-CG 3.26Å; S1914-K1918 WeakPolarHBondContact O-CG 3.39Å; S1914-H1930 PolarHBondContact OG-CD2 3.4Å; S1914-H1930 PolarHBondContact OG-NE2 2.66Å
1915L82.5Confident68.8Low4 Ų466.7 Ų66.72%0.02138%0.384CS..Hα-helixtrans-90.1-18.1-179.8-64.9-179.7000113.4G1917 K1918 I1920 M1925 F1926 I1934 M2215L1915-G1917 PolarHBondContact O-N 3.46Å; L1915-K1918 WeakPolarHBondContact O-CB 3.22Å; L1915-K1918 PolarHBondContact O-N 2.87Å; L1915-I1920 HydrophobicContact CD2-CD1 4.13Å; L1915-M1925 HydrophobicContact CD2-CE 4.47Å; L1915-F1926 HydrophobicContact CD1-CE1 4.38Å; L1915-F1926 HydrophobicContact CD2-CE1 4.32Å; L1915-I1934 HydrophobicContact CD1-CD1 3.96Å; L1915-I1934 HydrophobicContact CD1-CG1 4.19Å; L1915-M2215 HydrophobicContact CD1-CE 4.01Å; L1915-M2215 HydrophobicContact CD1-SD 4.49Å
1916M82.8Confident71.2Confident97 Ų9760.3 Ų60.348%0.47834%0.344SS..THydrogen-bonded Turntrans-59.8123-178.8-170.3175.868.100110.6K1918 M2215M1916-K1918 VanDerWaalsContact C-N 3.27Å; M1916-K1918 PolarHBondContact O-N 2.91Å; M1916-M2215 VanDerWaalsContact CA-O 3.29Å; M1916-M2215 WeakPolarHBondContact CA-O 3.4Å; M1916-M2215 PolarHBondContact N-O 2.68Å
1917G83.5Confident73.4Confident48 Ų4857.6 Ų57.650%0.49533%0.325SS..THydrogen-bonded Turntrans77.20.5-178.700000115.6L1915 V2216L1915-G1917 PolarHBondContact O-N 3.46Å; G1917-V2216 PolarHBondContact N-O 2.73Å
1918K87.7Confident75.2Confident125 Ų12556.2 Ų56.254%0.54331%0.312SS..  trans-89.6149.8179.9-63.2-66.3-174.8175.40112.2S1914 L1915 M1916S1914-K1918 VanDerWaalsContact O-CG 3.26Å; S1914-K1918 WeakPolarHBondContact O-CG 3.39Å; L1915-K1918 WeakPolarHBondContact O-CB 3.22Å; L1915-K1918 PolarHBondContact O-N 2.87Å; M1916-K1918 VanDerWaalsContact C-N 3.27Å; M1916-K1918 PolarHBondContact O-N 2.91Å
1919H92.3Very high77.2Confident58 Ų5856.7 Ų56.727%0.26931%0.308SS..  trans-76.7138.7167.5-50.2-79000110.3L1921 M1925 A2030 K2035 L2037H1919-L1921 HydrophobicContact CB-CD1 4.21Å; H1919-L1921 HydrophobicContact CB-CD2 3.81Å; H1919-L1921 HydrophobicContact CB-CG 3.82Å; H1919-M1925 WeakPolarHBondContact O-CE 3.38Å; H1919-A2030 HydrophobicContact CB-CB 4.44Å; H1919-K2035 PolarHBondContact CE1-O 3.07Å; H1919-K2035 PolarHBondContact ND1-O 3.22Å; H1919-L2037 CarbonylContact C-O 3.44Å; H1919-L2037 VanDerWaalsContact CA-O 3.27Å; H1919-L2037 WeakPolarHBondContact CA-O 2.92Å; H1919-L2037 HydrophobicContact CB-CB 4.47Å; H1919-L2037 WeakPolarHBondContact CB-O 3.32Å; H1919-L2037 WeakPolarHBondContact ND1-CB 3.37Å; H1919-L2037 PolarHBondContact ND1-N 3.35Å
1920I92.9Very high79Confident0 Ų055.7 Ų55.70%030%0.302CS..BIsolated β-bridgetrans-100.196.2174.1-54.3-53.8000108.7L1915 M1925 F1926 L2037 I2038 N2039 P2048 V2216L1915-I1920 HydrophobicContact CD2-CD1 4.13Å; I1920-M1925 VanDerWaalsContact CA-SD 3.58Å; I1920-M1925 HydrophobicContact CB-SD 4.23Å; I1920-M1925 HydrophobicContact CD1-CE 3.63Å; I1920-M1925 HydrophobicContact CD1-SD 3.99Å; I1920-M1925 HydrophobicContact CG2-SD 3.92Å; I1920-F1926 HydrophobicContact CD1-CE1 4.39Å; I1920-F1926 HydrophobicContact CD1-CZ 4.23Å; I1920-F1926 HydrophobicContact CG2-CE2 4.13Å; I1920-F1926 HydrophobicContact CG2-CZ 3.64Å; I1920-L2037 PolarHBondContact N-O 3.46Å; I1920-I2038 HydrophobicContact CB-CB 4.49Å; I1920-I2038 HydrophobicContact CB-CG1 4.28Å; I1920-I2038 HydrophobicContact CB-CG2 4.29Å; I1920-I2038 HydrophobicContact CG1-CG1 4.22Å; I1920-N2039 WeakPolarHBondContact O-CB 3.49Å; I1920-N2039 PolarHBondContact O-N 3.27Å; I1920-P2048 HydrophobicContact CG2-CB 4.46Å; I1920-P2048 HydrophobicContact CG2-CG 4.25Å; I1920-V2216 HydrophobicContact CD1-CG2 3.89Å; I1920-V2216 HydrophobicContact CG1-CG2 3.75Å
1921L91.4Very high80.8Confident48 Ų4851.2 Ų51.225%0.25127%0.273SS..  trans-107-44.1-167.8-57.7-179.8000114.4H1919 V2026 A2030 L2037 N2039H1919-L1921 HydrophobicContact CB-CD1 4.21Å; H1919-L1921 HydrophobicContact CB-CD2 3.81Å; H1919-L1921 HydrophobicContact CB-CG 3.82Å; L1921-V2026 HydrophobicContact CD2-CG1 3.88Å; L1921-A2030 HydrophobicContact CD1-CB 3.87Å; L1921-A2030 HydrophobicContact CD2-CB 3.64Å; L1921-A2030 HydrophobicContact CG-CB 4.39Å; L1921-L2037 HydrophobicContact CD2-CD2 4.22Å; L1921-N2039 WeakPolarHBondContact O-CB 3.21Å; L1921-N2039 PolarHBondContact O-ND2 3.42Å
1922A90.2Very high82.1Confident20 Ų2053.2 Ų53.217%0.16528%0.283CS..  trans-143.1165.6-174.800000109.9D1924 M1925 E2046A1922-D1924 VanDerWaalsContact CB-OD1 3.24Å; A1922-D1924 WeakPolarHBondContact CB-OD1 3.32Å; A1922-M1925 WeakPolarHBondContact O-CG 3.4Å; A1922-M1925 VanDerWaalsContact O-SD 3.39Å; A1922-E2046 VanDerWaalsContact CA-OE2 3.26Å; A1922-E2046 WeakPolarHBondContact CA-OE2 3.26Å; A1922-E2046 WeakPolarHBondContact CB-OE2 3.29Å
1923V89.2Confident83.4Confident3 Ų353.2 Ų53.22%0.01828%0.28CS..G310 helixtrans-76.1-23.4-176.8-66.70000114.1M1925 F1926 E2046 P2048 A2051 R2087 L2088V1923-M1925 PolarHBondContact O-N 3.01Å; V1923-F1926 PolarHBondContact O-N 3.13Å; V1923-F1926 VanDerWaalsContact O-N 3.09Å; V1923-E2046 WeakPolarHBondContact CG2-OE2 3.4Å; V1923-E2046 PolarHBondContact N-OE2 3.37Å; V1923-P2048 HydrophobicContact CG1-CB 3.8Å; V1923-A2051 HydrophobicContact CG1-CB 3.89Å; V1923-R2087 HydrophobicContact CG2-CB 3.52Å; V1923-L2088 HydrophobicContact CB-CB 4.04Å; V1923-L2088 HydrophobicContact CB-CD1 4.08Å; V1923-L2088 HydrophobicContact CB-CG 4.48Å; V1923-L2088 HydrophobicContact CG1-CB 4.22Å; V1923-L2088 HydrophobicContact CG1-CD2 4.43Å; V1923-L2088 HydrophobicContact CG2-CB 4.37Å
1924D84.4Confident85Confident111 Ų11147.3 Ų47.359%0.59425%0.253SS*.G310 helixtrans-65.4-16.5-179.563.5-11.6000113.8A1922 F1926A1922-D1924 VanDerWaalsContact CB-OD1 3.24Å; A1922-D1924 WeakPolarHBondContact CB-OD1 3.32Å; D1924-F1926 VanDerWaalsContact C-N 3.25Å; D1924-F1926 PolarHBondContact O-N 3.08Å
1925M87.6Confident85.8Confident58 Ų5845.3 Ų45.329%0.28624%0.239SC..G310 helixtrans-70.5-21.5172.877.6-174.5-61.300113.3L1915 H1919 I1920 A1922 V1923 H1930L1915-M1925 HydrophobicContact CD2-CE 4.47Å; H1919-M1925 WeakPolarHBondContact O-CE 3.38Å; I1920-M1925 VanDerWaalsContact CA-SD 3.58Å; I1920-M1925 HydrophobicContact CB-SD 4.23Å; I1920-M1925 HydrophobicContact CD1-CE 3.63Å; I1920-M1925 HydrophobicContact CD1-SD 3.99Å; I1920-M1925 HydrophobicContact CG2-SD 3.92Å; A1922-M1925 WeakPolarHBondContact O-CG 3.4Å; A1922-M1925 VanDerWaalsContact O-SD 3.39Å; V1923-M1925 PolarHBondContact O-N 3.01Å; M1925-H1930 PolarHBondContact O-CE1 3.49Å; M1925-H1930 PolarHBondContact O-ND1 3.35Å
1926F90Very high85.5Confident7 Ų746.4 Ų46.43%0.03125%0.245CC..  trans-88138.2-179.1-59.6-65.4000110.3L1915 I1920 V1923 D1924 H1930 L1931 I1934 P2048 L2052 L2088 L2091L1915-F1926 HydrophobicContact CD1-CE1 4.38Å; L1915-F1926 HydrophobicContact CD2-CE1 4.32Å; I1920-F1926 HydrophobicContact CD1-CE1 4.39Å; I1920-F1926 HydrophobicContact CD1-CZ 4.23Å; I1920-F1926 HydrophobicContact CG2-CE2 4.13Å; I1920-F1926 HydrophobicContact CG2-CZ 3.64Å; V1923-F1926 PolarHBondContact O-N 3.13Å; V1923-F1926 VanDerWaalsContact O-N 3.09Å; D1924-F1926 VanDerWaalsContact C-N 3.25Å; D1924-F1926 PolarHBondContact O-N 3.08Å; F1926-H1930 HydrophobicContact CB-CB 4.31Å; F1926-H1930 HydrophobicContact CD1-CB 3.89Å; F1926-L1931 HydrophobicContact CB-CD2 4Å; F1926-L1931 HydrophobicContact CB-CG 4.46Å; F1926-L1931 HydrophobicContact CG-CD2 4.35Å; F1926-I1934 HydrophobicContact CD1-CD1 3.98Å; F1926-I1934 HydrophobicContact CE1-CD1 3.73Å; F1926-P2048 HydrophobicContact CE2-CB 4.19Å; F1926-L2052 HydrophobicContact CD2-CD1 4.47Å; F1926-L2052 HydrophobicContact CD2-CD2 4.24Å; F1926-L2052 HydrophobicContact CE1-CD1 4.32Å; F1926-L2052 HydrophobicContact CE2-CD1 3.76Å; F1926-L2052 HydrophobicContact CE2-CD2 4.33Å; F1926-L2052 HydrophobicContact CE2-CG 4.21Å; F1926-L2052 HydrophobicContact CG-CD2 4.44Å; F1926-L2052 HydrophobicContact CZ-CD1 3.67Å; F1926-L2088 HydrophobicContact CB-CD1 3.99Å; F1926-L2088 HydrophobicContact CD2-CD1 4.42Å; F1926-L2091 WeakPolarHBondContact O-CD1 3.32Å
1927N86.1Confident85.5Confident68 Ų6841.9 Ų41.936%0.36422%0.223SC..  trans-114.8177.6168.964.727.9000107.8D1929 H1930 L1931N1927-D1929 PolarHBondContact O-N 3.48Å; N1927-D1929 PolarHBondContact OD1-N 3.4Å; N1927-H1930 VanDerWaalsContact CG-ND1 3.33Å; N1927-H1930 PolarHBondContact N-ND1 3.35Å; N1927-H1930 VanDerWaalsContact N-ND1 3.16Å; N1927-H1930 PolarHBondContact O-N 3.09Å; N1927-H1930 PolarHBondContact OD1-N 3.34Å; N1927-H1930 PolarHBondContact OD1-ND1 3.13Å; N1927-L1931 WeakPolarHBondContact O-CG 3.38Å; N1927-L1931 PolarHBondContact O-N 3.04Å; N1927-L1931 VanDerWaalsContact O-N 3.11Å
1928K79Confident85.7Confident110 Ų11039.6 Ų39.648%0.47820%0.199SC..Hα-helixtrans-56.4-37.1-179.6-81-173.8176.5178.50113.2L1931 N1932 L2091K1928-L1931 PolarHBondContact O-N 2.84Å; K1928-N1932 PolarHBondContact O-N 3.19Å; K1928-N1932 PolarHBondContact O-ND2 3.21Å; K1928-L2091 WeakPolarHBondContact CE-O 3.49Å; K1928-L2091 HydrophobicContact CG-CB 4.33Å; K1928-L2091 PolarHBondContact NZ-O 2.83Å
1929D77.5Confident85.3Confident94 Ų9435.7 Ų35.750%0.50318%0.182SC..Hα-helixtrans-70.2-45-177.8-55.7-35.5000110.7V1911 N1927 L1931 N1932 D1933V1911-D1929 HydrophobicContact CG2-CB 3.76Å; N1927-D1929 PolarHBondContact O-N 3.48Å; N1927-D1929 PolarHBondContact OD1-N 3.4Å; D1929-L1931 VanDerWaalsContact C-N 3.29Å; D1929-L1931 PolarHBondContact O-N 3.09Å; D1929-N1932 PolarHBondContact O-N 3.11Å; D1929-D1933 PolarHBondContact O-N 3.49Å
1930H84.4Confident84.5Confident25 Ų2535.4 Ų35.412%0.11618%0.183CC..Hα-helixtrans-51.4-48.4170.5-63.9136000111.7V1911 S1914 M1925 F1926 N1927 I1934V1911-H1930 VanDerWaalsContact CG1-CA 3.46Å; V1911-H1930 HydrophobicContact CG1-CB 4.29Å; V1911-H1930 VanDerWaalsContact CG1-CD2 3.41Å; V1911-H1930 WeakPolarHBondContact CG1-CD2 3.39Å; S1914-H1930 PolarHBondContact OG-CD2 3.4Å; S1914-H1930 PolarHBondContact OG-NE2 2.66Å; M1925-H1930 PolarHBondContact O-CE1 3.49Å; M1925-H1930 PolarHBondContact O-ND1 3.35Å; F1926-H1930 HydrophobicContact CB-CB 4.31Å; F1926-H1930 HydrophobicContact CD1-CB 3.89Å; N1927-H1930 VanDerWaalsContact CG-ND1 3.33Å; N1927-H1930 PolarHBondContact N-ND1 3.35Å; N1927-H1930 VanDerWaalsContact N-ND1 3.16Å; N1927-H1930 PolarHBondContact O-N 3.09Å; N1927-H1930 PolarHBondContact OD1-N 3.34Å; N1927-H1930 PolarHBondContact OD1-ND1 3.13Å; H1930-I1934 WeakPolarHBondContact O-CB 3.37Å; H1930-I1934 WeakPolarHBondContact O-CD1 3.47Å; H1930-I1934 WeakPolarHBondContact O-CG1 3.3Å; H1930-I1934 PolarHBondContact O-N 3.29Å
1931L86.1Confident84.1Confident0 Ų035.4 Ų35.40%018%0.183CC..Hα-helixtrans-63.5-45180-65.8-167.9000112.2F1926 N1927 K1928 D1929 D1933 F1935 L2052 L2088 L2091 Y2092F1926-L1931 HydrophobicContact CB-CD2 4Å; F1926-L1931 HydrophobicContact CB-CG 4.46Å; F1926-L1931 HydrophobicContact CG-CD2 4.35Å; N1927-L1931 WeakPolarHBondContact O-CG 3.38Å; N1927-L1931 PolarHBondContact O-N 3.04Å; N1927-L1931 VanDerWaalsContact O-N 3.11Å; K1928-L1931 PolarHBondContact O-N 2.84Å; D1929-L1931 VanDerWaalsContact C-N 3.29Å; D1929-L1931 PolarHBondContact O-N 3.09Å; L1931-D1933 PolarHBondContact O-N 2.88Å; L1931-F1935 HydrophobicContact CB-CD2 4.34Å; L1931-F1935 HydrophobicContact CB-CE2 3.93Å; L1931-F1935 HydrophobicContact CB-CZ 4.26Å; L1931-F1935 HydrophobicContact CD1-CE2 4.49Å; L1931-F1935 HydrophobicContact CD2-CZ 4.04Å; L1931-F1935 VanDerWaalsContact O-CB 3.22Å; L1931-F1935 WeakPolarHBondContact O-CB 3.44Å; L1931-F1935 WeakPolarHBondContact O-CD2 2.99Å; L1931-F1935 WeakPolarHBondContact O-CG 3.49Å; L1931-F1935 PolarHBondContact O-N 3.4Å; L1931-L2052 HydrophobicContact CD2-CD2 3.15Å; L1931-L2088 HydrophobicContact CD1-CD1 4.14Å; L1931-L2088 HydrophobicContact CD1-CG 4.28Å; L1931-L2088 HydrophobicContact CD2-CD1 4.2Å; L1931-L2088 HydrophobicContact CD2-CD2 4.26Å; L1931-L2091 HydrophobicContact CD1-CD1 3.71Å; L1931-L2091 HydrophobicContact CG-CD1 4.29Å; L1931-Y2092 HydrophobicContact CD1-CE2 3.54Å; L1931-Y2092 VanDerWaalsContact CD1-OH 3.26Å; L1931-Y2092 WeakPolarHBondContact CD1-OH 3.37Å
1932N78.8Confident83.6Confident56 Ų5634.5 Ų34.530%0.29918%0.177SC..Hα-helixtrans-58.4-47.5180-82.9-34000111.6R1067 K1928 D1929 N1936R1067-N1932 PolarHBondContact NH2-OD1 3.05Å; R1067-N1932 VanDerWaalsContact NH2-OD1 3.15Å; K1928-N1932 PolarHBondContact O-N 3.19Å; K1928-N1932 PolarHBondContact O-ND2 3.21Å; D1929-N1932 PolarHBondContact O-N 3.11Å; N1932-N1936 VanDerWaalsContact O-CB 3.29Å; N1932-N1936 WeakPolarHBondContact O-CB 3.04Å; N1932-N1936 PolarHBondContact O-N 2.77Å; N1932-N1936 PolarHBondContact O-ND2 2.77Å; N1932-N1936 VanDerWaalsContact O-ND2 3.09Å; N1932-N1936 PolarHBondContact O-OD1 2.84Å
1933D79.4Confident82.6Confident20 Ų2037.6 Ų37.611%0.10719%0.19CC..Hα-helixtrans-70.4-43-178.8-72.8-49.8000113.5N1909 V1911 D1929 L1931 F1935 N1936 L1937 M2215N1909-D1933 PolarHBondContact ND2-OD1 3.27Å; N1909-D1933 PolarHBondContact OD1-OD2 3.28Å; V1911-D1933 HydrophobicContact CB-CB 4.43Å; V1911-D1933 WeakPolarHBondContact CB-OD2 3.47Å; V1911-D1933 HydrophobicContact CG1-CB 4.07Å; V1911-D1933 WeakPolarHBondContact CG1-OD2 3.24Å; V1911-D1933 VanDerWaalsContact CG2-OD2 3.22Å; V1911-D1933 WeakPolarHBondContact CG2-OD2 3.33Å; D1929-D1933 PolarHBondContact O-N 3.49Å; L1931-D1933 PolarHBondContact O-N 2.88Å; D1933-F1935 VanDerWaalsContact C-N 3.3Å; D1933-F1935 PolarHBondContact O-N 3.19Å; D1933-N1936 PolarHBondContact O-N 2.89Å; D1933-L1937 WeakPolarHBondContact O-CB 3.41Å; D1933-L1937 PolarHBondContact O-N 3.3Å; D1933-M2215 HydrophobicContact CB-CE 4.05Å
1934I87.7Confident81.7Confident0 Ų039.5 Ų39.50%020%0.197CC..Hα-helixtrans-56.7-48.4175.2-69.3164.1000109.8L1915 F1926 H1930 L1937 A1938 L2052 I2208 A2211 L2212 M2215L1915-I1934 HydrophobicContact CD1-CD1 3.96Å; L1915-I1934 HydrophobicContact CD1-CG1 4.19Å; F1926-I1934 HydrophobicContact CD1-CD1 3.98Å; F1926-I1934 HydrophobicContact CE1-CD1 3.73Å; H1930-I1934 WeakPolarHBondContact O-CB 3.37Å; H1930-I1934 WeakPolarHBondContact O-CD1 3.47Å; H1930-I1934 WeakPolarHBondContact O-CG1 3.3Å; H1930-I1934 PolarHBondContact O-N 3.29Å; I1934-L1937 PolarHBondContact O-N 3.02Å; I1934-A1938 WeakPolarHBondContact O-CB 3.4Å; I1934-A1938 PolarHBondContact O-N 3.09Å; I1934-L2052 HydrophobicContact CD1-CD1 4.4Å; I1934-L2052 HydrophobicContact CD1-CD2 4.33Å; I1934-I2208 HydrophobicContact CG2-CD1 4.07Å; I1934-A2211 HydrophobicContact CG2-CB 4.39Å; I1934-A2211 WeakPolarHBondContact O-CB 3.43Å; I1934-L2212 HydrophobicContact CD1-CD2 3.88Å; I1934-L2212 HydrophobicContact CG1-CD2 4.3Å; I1934-L2212 HydrophobicContact CG2-CD2 4.4Å; I1934-L2212 HydrophobicContact CG2-CG 4.32Å; I1934-M2215 HydrophobicContact CB-SD 4.36Å; I1934-M2215 HydrophobicContact CG1-CE 4.2Å; I1934-M2215 HydrophobicContact CG1-SD 3.65Å
1935F88.1Confident80.8Confident0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-69.8-35.8-178-64.6-11.7000112.3L1931 D1933 A1938 Q1939 L2052 I2055 F2056 I2208L1931-F1935 HydrophobicContact CB-CD2 4.34Å; L1931-F1935 HydrophobicContact CB-CE2 3.93Å; L1931-F1935 HydrophobicContact CB-CZ 4.26Å; L1931-F1935 HydrophobicContact CD1-CE2 4.49Å; L1931-F1935 HydrophobicContact CD2-CZ 4.04Å; L1931-F1935 VanDerWaalsContact O-CB 3.22Å; L1931-F1935 WeakPolarHBondContact O-CB 3.44Å; L1931-F1935 WeakPolarHBondContact O-CD2 2.99Å; L1931-F1935 WeakPolarHBondContact O-CG 3.49Å; L1931-F1935 PolarHBondContact O-N 3.4Å; D1933-F1935 VanDerWaalsContact C-N 3.3Å; D1933-F1935 PolarHBondContact O-N 3.19Å; F1935-A1938 PolarHBondContact O-N 3.39Å; F1935-Q1939 WeakPolarHBondContact O-CB 3.25Å; F1935-Q1939 PolarHBondContact O-N 3.04Å; F1935-L2052 HydrophobicContact CE1-CB 4.4Å; F1935-L2052 HydrophobicContact CE1-CD2 4.11Å; F1935-L2052 WeakPolarHBondContact CE1-O 3.22Å; F1935-L2052 HydrophobicContact CZ-CD2 4.36Å; F1935-I2055 HydrophobicContact CE2-CB 4.23Å; F1935-I2055 HydrophobicContact CE2-CG2 3.5Å; F1935-I2055 HydrophobicContact CZ-CB 3.84Å; F1935-I2055 HydrophobicContact CZ-CG2 3.64Å; F1935-F2056 HydrophobicContact CB-CD2 3.78Å; F1935-F2056 HydrophobicContact CB-CE2 4.26Å; F1935-F2056 HydrophobicContact CD1-CB 3.86Å; F1935-F2056 AromaticContact CD1-CD2 3.92Å; F1935-F2056 HydrophobicContact CD1-CD2 3.92Å; F1935-F2056 HydrophobicContact CD1-CG 4.26Å; F1935-F2056 HydrophobicContact CE1-CB 3.88Å; F1935-F2056 HydrophobicContact CG-CB 4.38Å; F1935-F2056 AromaticContact CG-CD2 3.88Å; F1935-F2056 HydrophobicContact CG-CD2 3.88Å; F1935-F2056 HydrophobicContact CZ-CB 4.42Å; F1935-F2056 WeakPolarHBondContact O-CE2 3.46Å; F1935-I2208 HydrophobicContact CD1-CD1 3.45Å; F1935-I2208 VanDerWaalsContact CD1-CD1 3.45Å; F1935-I2208 HydrophobicContact CE1-CD1 3.8Å
1936N77Confident79.7Confident27 Ų2735.7 Ų35.714%0.14418%0.183CC..Hα-helixtrans-64.7-44.4175.7-71.2-19.3000111.5Y1901 N1932 D1933 Q1939 L1940 R2059Y1901-N1936 WeakPolarHBondContact OH-CB 3.33Å; N1932-N1936 VanDerWaalsContact O-CB 3.29Å; N1932-N1936 WeakPolarHBondContact O-CB 3.04Å; N1932-N1936 PolarHBondContact O-N 2.77Å; N1932-N1936 PolarHBondContact O-ND2 2.77Å; N1932-N1936 VanDerWaalsContact O-ND2 3.09Å; N1932-N1936 PolarHBondContact O-OD1 2.84Å; D1933-N1936 PolarHBondContact O-N 2.89Å; N1936-Q1939 PolarHBondContact O-N 3.11Å; N1936-L1940 PolarHBondContact O-N 3.31Å; N1936-L1940 VanDerWaalsContact O-N 3.1Å; N1936-R2059 PolarHBondContact OD1-NH2 2.63Å
1937L82.6Confident78.2Confident2 Ų239.2 Ų39.21%0.0120%0.198CC..Hα-helixtrans-65.3-42.8175.8-179.459000111.1L1898 Y1901 L1902 D1933 I1934 Q1939 L1940 L1941 A2211 A2214 M2215L1898-L1937 HydrophobicContact CD2-CD1 3.86Å; Y1901-L1937 HydrophobicContact CD1-CD1 4.36Å; Y1901-L1937 HydrophobicContact CE1-CB 4.47Å; L1902-L1937 HydrophobicContact CD2-CD2 4.4Å; D1933-L1937 WeakPolarHBondContact O-CB 3.41Å; D1933-L1937 PolarHBondContact O-N 3.3Å; I1934-L1937 PolarHBondContact O-N 3.02Å; L1937-Q1939 VanDerWaalsContact C-N 3.32Å; L1937-Q1939 PolarHBondContact O-N 3.29Å; L1937-L1940 PolarHBondContact O-N 3.36Å; L1937-L1941 HydrophobicContact CD1-CD1 4.12Å; L1937-L1941 HydrophobicContact CD1-CG 4.2Å; L1937-L1941 HydrophobicContact CG-CD1 3.86Å; L1937-L1941 HydrophobicContact CG-CG 4.41Å; L1937-L1941 WeakPolarHBondContact O-CB 3.44Å; L1937-L1941 WeakPolarHBondContact O-CG 3.47Å; L1937-L1941 PolarHBondContact O-N 2.72Å; L1937-A2211 HydrophobicContact CB-CB 3.97Å; L1937-A2211 HydrophobicContact CD2-CB 3.96Å; L1937-A2211 HydrophobicContact CG-CB 3.85Å; L1937-A2214 HydrophobicContact CD2-CB 4.12Å; L1937-M2215 HydrophobicContact CD2-CG 3.75Å; L1937-M2215 HydrophobicContact CD2-SD 4.19Å
1938A87Confident77Confident0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-59.2-42.4176.200000112I1934 F1935 L1941 K1942 F2056 I2208 A2211I1934-A1938 WeakPolarHBondContact O-CB 3.4Å; I1934-A1938 PolarHBondContact O-N 3.09Å; F1935-A1938 PolarHBondContact O-N 3.39Å; A1938-L1941 PolarHBondContact O-N 3.29Å; A1938-K1942 WeakPolarHBondContact O-CB 3.44Å; A1938-K1942 PolarHBondContact O-N 3.24Å; A1938-F2056 HydrophobicContact CB-CD2 4.46Å; A1938-F2056 HydrophobicContact CB-CE1 4.34Å; A1938-F2056 HydrophobicContact CB-CE2 3.99Å; A1938-F2056 HydrophobicContact CB-CZ 3.93Å; A1938-I2208 HydrophobicContact CB-CD1 3.66Å; A1938-I2208 HydrophobicContact CB-CG1 4.11Å; A1938-A2211 HydrophobicContact CB-CB 3.93Å
1939Q79.3Confident76.4Confident42 Ų4241.5 Ų41.520%0.19621%0.21CC..Hα-helixtrans-63.1-42.6176.7-167.3-179.219.300112.1F1935 N1936 L1937 K1942 L1943 F2056F1935-Q1939 WeakPolarHBondContact O-CB 3.25Å; F1935-Q1939 PolarHBondContact O-N 3.04Å; N1936-Q1939 PolarHBondContact O-N 3.11Å; L1937-Q1939 VanDerWaalsContact C-N 3.32Å; L1937-Q1939 PolarHBondContact O-N 3.29Å; Q1939-K1942 WeakPolarHBondContact O-CB 3.28Å; Q1939-K1942 PolarHBondContact O-N 3.17Å; Q1939-L1943 WeakPolarHBondContact O-CG 3.47Å; Q1939-L1943 PolarHBondContact O-N 2.96Å; Q1939-F2056 HydrophobicContact CB-CE2 4.3Å; Q1939-F2056 HydrophobicContact CB-CZ 4.4Å
1940L76.4Confident75.7Confident53 Ų5340.7 Ų40.728%0.27721%0.21SC..Hα-helixtrans-65.5-41177.9-165.4156.8000111.5L1898 N1936 L1937 R1944L1898-L1940 HydrophobicContact CD1-CD2 3.27Å; L1898-L1940 HydrophobicContact CD2-CD2 4.43Å; L1898-L1940 HydrophobicContact CG-CD2 3.59Å; N1936-L1940 PolarHBondContact O-N 3.31Å; N1936-L1940 VanDerWaalsContact O-N 3.1Å; L1937-L1940 PolarHBondContact O-N 3.36Å; L1940-R1944 PolarHBondContact O-N 3.06Å
1941L83.5Confident75.2Confident0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-66.8-36.9175.3-66.6167.8000112.2L1898 L1937 A1938 R1944 G1945 V1951 L1954 L1982 M2210 A2211L1898-L1941 HydrophobicContact CD1-CD2 3.89Å; L1898-L1941 HydrophobicContact CD2-CD2 4.27Å; L1937-L1941 HydrophobicContact CD1-CD1 4.12Å; L1937-L1941 HydrophobicContact CD1-CG 4.2Å; L1937-L1941 HydrophobicContact CG-CD1 3.86Å; L1937-L1941 HydrophobicContact CG-CG 4.41Å; L1937-L1941 WeakPolarHBondContact O-CB 3.44Å; L1937-L1941 WeakPolarHBondContact O-CG 3.47Å; L1937-L1941 PolarHBondContact O-N 2.72Å; A1938-L1941 PolarHBondContact O-N 3.29Å; L1941-R1944 PolarHBondContact O-N 2.9Å; L1941-G1945 PolarHBondContact O-N 3.48Å; L1941-V1951 HydrophobicContact CD2-CG1 3.35Å; L1941-L1954 HydrophobicContact CD2-CD1 3.87Å; L1941-L1982 HydrophobicContact CD2-CD2 4.28Å; L1941-M2210 HydrophobicContact CB-CE 4.1Å; L1941-M2210 HydrophobicContact CD1-CB 3.76Å; L1941-M2210 HydrophobicContact CD1-CE 4.46Å; L1941-M2210 HydrophobicContact CD2-CE 4.09Å; L1941-M2210 HydrophobicContact CG-CE 4.45Å; L1941-A2211 HydrophobicContact CD1-CB 4.2Å
1942K81.5Confident74.6Confident28 Ų2844.4 Ų44.412%0.12223%0.231CC..Hα-helixtrans-58.9-56.5172.1177.4-179.9165.3-167.80110.9A1938 Q1939 R1944 G1945 T1946 E2060 Y2204 Y2207A1938-K1942 WeakPolarHBondContact O-CB 3.44Å; A1938-K1942 PolarHBondContact O-N 3.24Å; Q1939-K1942 WeakPolarHBondContact O-CB 3.28Å; Q1939-K1942 PolarHBondContact O-N 3.17Å; K1942-R1944 PolarHBondContact O-N 3.3Å; K1942-R1944 VanDerWaalsContact O-N 3.15Å; K1942-G1945 PolarHBondContact O-N 3.39Å; K1942-T1946 PolarHBondContact O-N 2.95Å; K1942-T1946 PolarHBondContact O-OG1 3.44Å; K1942-E2060 IonicContact NZ-OE2 2.63Å; K1942-E2060 PolarHBondContact NZ-OE2 3.39Å; K1942-Y2204 HydrophobicContact CD-CD1 4.35Å; K1942-Y2204 HydrophobicContact CD-CE1 4.09Å; K1942-Y2204 PolarHBondContact NZ-OH 3.14Å; K1942-Y2204 VanDerWaalsContact NZ-OH 3.15Å; K1942-Y2207 VanDerWaalsContact CA-CD1 3.48Å; K1942-Y2207 VanDerWaalsContact CA-CE1 3.47Å; K1942-Y2207 HydrophobicContact CB-CD1 3.91Å; K1942-Y2207 HydrophobicContact CB-CD2 3.74Å; K1942-Y2207 HydrophobicContact CB-CE1 4.1Å; K1942-Y2207 HydrophobicContact CB-CE2 3.94Å; K1942-Y2207 HydrophobicContact CB-CG 3.73Å; K1942-Y2207 HydrophobicContact CD-CD2 4.2Å; K1942-Y2207 HydrophobicContact CD-CE2 4.23Å; K1942-Y2207 HydrophobicContact CG-CD2 3.85Å; K1942-Y2207 HydrophobicContact CG-CE1 4.47Å; K1942-Y2207 HydrophobicContact CG-CE2 3.65Å; K1942-Y2207 HydrophobicContact CG-CG 4.36Å
1943L69Low74.3Confident86 Ų8647.6 Ų47.645%0.4524%0.244SC..Hα-helixtrans-53.6-38.5179.7-73.1166.2000113.1Q1939Q1939-L1943 WeakPolarHBondContact O-CG 3.47Å; Q1939-L1943 PolarHBondContact O-N 2.96Å
1944R70Confident74.4Confident42 Ų4247.4 Ų47.416%0.15824%0.243CC..Hα-helixtrans-73.5-42.8174.7-74.1-166.4172.5-143.3-4.6113.1L1940 L1941 K1942 T1946 K1947 D1948 R1949 P1950 V1951L1940-R1944 PolarHBondContact O-N 3.06Å; L1941-R1944 PolarHBondContact O-N 2.9Å; K1942-R1944 PolarHBondContact O-N 3.3Å; K1942-R1944 VanDerWaalsContact O-N 3.15Å; R1944-T1946 PolarHBondContact O-N 3.46Å; R1944-K1947 PolarHBondContact O-N 3.06Å; R1944-D1948 PolarHBondContact O-N 3.36Å; R1944-R1949 HydrophobicContact CB-CB 4.15Å; R1944-R1949 HydrophobicContact CG-CB 4.31Å; R1944-R1949 PolarHBondContact O-N 3.49Å; R1944-P1950 PolarHBondContact NH1-O 2.98Å; R1944-V1951 HydrophobicContact CB-CG2 4.01Å
1945G65.8Low74.3Confident8 Ų847.5 Ų47.58%0.08224%0.243CC..Hα-helixtrans-65.2-35.2-177.700000113.7L1941 K1942 K1947L1941-G1945 PolarHBondContact O-N 3.48Å; K1942-G1945 PolarHBondContact O-N 3.39Å; G1945-K1947 VanDerWaalsContact C-N 3.3Å
1946T64.2Low74Confident81 Ų8151.2 Ų51.250%0.49727%0.268SS..Hα-helixtrans-73.3-21.2177.6-36.60000112.9K1942 R1944K1942-T1946 PolarHBondContact O-N 2.95Å; K1942-T1946 PolarHBondContact O-OG1 3.44Å; R1944-T1946 PolarHBondContact O-N 3.46Å
1947K58.7Low74.4Confident81 Ų8152.9 Ų52.935%0.35229%0.291SS..THydrogen-bonded Turntrans-104.815.1179.9-66.5-164.9174-162.60113.9D1208 R1944 G1945 R1949D1208-K1947 IonicContact OD1-NZ 3.34Å; D1208-K1947 VanDerWaalsContact OD2-CE 3.32Å; D1208-K1947 WeakPolarHBondContact OD2-CE 3.46Å; D1208-K1947 IonicContact OD2-NZ 3.29Å; D1208-K1947 PolarHBondContact OD2-NZ 2.96Å; R1944-K1947 PolarHBondContact O-N 3.06Å; G1945-K1947 VanDerWaalsContact C-N 3.3Å; K1947-R1949 HydrophobicContact CB-CG 4.23Å; K1947-R1949 PolarHBondContact O-N 3.21Å; K1947-R1949 VanDerWaalsContact O-N 3.08Å
1948D60.4Low74.8Confident150 Ų15055.1 Ų55.180%0.80230%0.301SS*.THydrogen-bonded Turntrans52.129.9-176.6-68-38.2000114.6R1944R1944-D1948 PolarHBondContact O-N 3.36Å
1949R66.5Low75.1Confident76 Ų7657.7 Ų57.729%0.28731%0.314SS..  trans-80139.4175.2-65.3-174.3-178.5169.65.7110.1D1208 R1944 K1947 V1951D1208-R1949 IonicContact OD1-NH2 3.77Å; D1208-R1949 IonicContact OD2-NH2 2.62Å; R1944-R1949 HydrophobicContact CB-CB 4.15Å; R1944-R1949 HydrophobicContact CG-CB 4.31Å; R1944-R1949 PolarHBondContact O-N 3.49Å; K1947-R1949 HydrophobicContact CB-CG 4.23Å; K1947-R1949 PolarHBondContact O-N 3.21Å; K1947-R1949 VanDerWaalsContact O-N 3.08Å; R1949-V1951 VanDerWaalsContact O-CG2 3.31Å; R1949-V1951 WeakPolarHBondContact O-CG2 3.29Å
1950P64.4Low75.9Confident77 Ų7755.7 Ų55.750%0.530%0.304SS..  trans-63.9137.2-177.121.8-30.2000112.7R1944R1944-P1950 PolarHBondContact NH1-O 2.98Å
1951V73.5Confident76.7Confident16 Ų1653.2 Ų53.210%0.09729%0.292CS..  trans-135.41.9179.2-154.50000111.7L1898 L1941 R1944 R1949 E1953 L1954 R1981 L1982 M2210L1898-V1951 HydrophobicContact CD1-CG1 4.23Å; L1941-V1951 HydrophobicContact CD2-CG1 3.35Å; R1944-V1951 HydrophobicContact CB-CG2 4.01Å; R1949-V1951 VanDerWaalsContact O-CG2 3.31Å; R1949-V1951 WeakPolarHBondContact O-CG2 3.29Å; V1951-E1953 PolarHBondContact O-N 3.22Å; V1951-L1954 HydrophobicContact CG1-CD1 3.55Å; V1951-L1954 HydrophobicContact CG1-CG 4.45Å; V1951-R1981 CarbonylContact C-O 3.04Å; V1951-L1982 HydrophobicContact CG1-CD2 4.22Å; V1951-M2210 HydrophobicContact CG1-CE 4.4Å
1952D73.5Confident77.2Confident87 Ų8753.4 Ų53.447%0.46529%0.293SS..THydrogen-bonded Turntrans-72.7-5.1-173.857.9-30.8000114L1954 R1981 L1982 G1983D1952-L1954 VanDerWaalsContact C-N 3.34Å; D1952-L1954 PolarHBondContact O-N 3.32Å; D1952-R1981 PolarHBondContact N-O 2.97Å; D1952-L1982 CarbonylContact C-O 3.56Å; D1952-G1983 VanDerWaalsContact O-CA 3.26Å; D1952-G1983 WeakPolarHBondContact O-CA 3.39Å
1953E72.3Confident77.7Confident124 Ų12452.1 Ų52.158%0.57929%0.287SS*.THydrogen-bonded Turntrans-82.9-4.3177.6-60.5-172.8176.200114.6V1951 P1956V1951-E1953 PolarHBondContact O-N 3.22Å; E1953-P1956 VanDerWaalsContact C-CD 3.44Å; E1953-P1956 WeakPolarHBondContact O-CD 3.47Å
1954L80.3Confident78.8Confident15 Ų1548.3 Ų48.38%0.07927%0.267CS..SBendtrans-80.9-43.9-171.1-71.6172000114.6L1898 L1902 L1941 V1951 D1952 L1982L1898-L1954 HydrophobicContact CB-CD2 4.38Å; L1898-L1954 HydrophobicContact CD1-CD1 4.41Å; L1898-L1954 HydrophobicContact CD2-CD1 3.67Å; L1898-L1954 HydrophobicContact CD2-CD2 3.78Å; L1898-L1954 HydrophobicContact CD2-CG 4.33Å; L1902-L1954 HydrophobicContact CD1-CD2 3.67Å; L1941-L1954 HydrophobicContact CD2-CD1 3.87Å; V1951-L1954 HydrophobicContact CG1-CD1 3.55Å; V1951-L1954 HydrophobicContact CG1-CG 4.45Å; D1952-L1954 VanDerWaalsContact C-N 3.34Å; D1952-L1954 PolarHBondContact O-N 3.32Å; L1954-L1982 HydrophobicContact CB-CD2 4.12Å; L1954-L1982 HydrophobicContact CD1-CD2 3.54Å; L1954-L1982 HydrophobicContact CG-CD2 4.47Å
1955L86.7Confident79.7Confident2 Ų247.4 Ų47.41%0.0126%0.264CS..SBendtrans-123.339-179.9-60.5-179.5000113.6G1957 K1958 M1979 L1982 G1984 L2213 V2217L1955-G1957 PolarHBondContact O-N 2.83Å; L1955-K1958 HydrophobicContact CB-CB 4.16Å; L1955-K1958 HydrophobicContact CB-CG 4.08Å; L1955-K1958 HydrophobicContact CD2-CG 4.34Å; L1955-K1958 WeakPolarHBondContact O-CB 3.4Å; L1955-K1958 PolarHBondContact O-N 3.13Å; L1955-K1958 VanDerWaalsContact O-N 3.12Å; L1955-M1979 HydrophobicContact CD1-CE 4.42Å; L1955-M1979 HydrophobicContact CD1-SD 3.91Å; L1955-L1982 WeakPolarHBondContact CA-O 3.37Å; L1955-L1982 HydrophobicContact CB-CB 4.14Å; L1955-L1982 HydrophobicContact CD1-CB 4.03Å; L1955-L1982 HydrophobicContact CD1-CD1 3.63Å; L1955-L1982 HydrophobicContact CD1-CG 4.48Å; L1955-L1982 HydrophobicContact CG-CB 4.12Å; L1955-L1982 HydrophobicContact CG-CD1 4.36Å; L1955-L1982 PolarHBondContact N-O 3.5Å; L1955-G1984 WeakPolarHBondContact O-CA 3.42Å; L1955-L2213 HydrophobicContact CD1-CB 4Å; L1955-V2217 HydrophobicContact CD1-CB 4.45Å; L1955-V2217 HydrophobicContact CD2-CB 3.88Å; L1955-V2217 HydrophobicContact CD2-CG1 3.89Å
1956P81.8Confident80.5Confident79 Ų7948.7 Ų48.751%0.51327%0.268SS..THydrogen-bonded Turntrans-60.1129-177.626.1-34.5000110.9E1953 K1958 G1983E1953-P1956 VanDerWaalsContact C-CD 3.44Å; E1953-P1956 WeakPolarHBondContact O-CD 3.47Å; P1956-K1958 VanDerWaalsContact C-N 3.27Å; P1956-K1958 PolarHBondContact O-N 3.13Å; P1956-G1983 WeakPolarHBondContact CA-O 3.26Å
1957G84.9Confident81.4Confident61 Ų6151.1 Ų51.163%0.62928%0.282SS*.THydrogen-bonded Turntrans78.40.6178.600000115.5L1955L1955-G1957 PolarHBondContact O-N 2.83Å
1958K90.9Very high82.8Confident50 Ų5047.7 Ų47.722%0.21727%0.269CS..  trans-79.3144.1174.4-60.9-65.6-172.5170.80111.2L1955 P1956 M1979 G1984 R1985 D2014 V2217L1955-K1958 HydrophobicContact CB-CB 4.16Å; L1955-K1958 HydrophobicContact CB-CG 4.08Å; L1955-K1958 HydrophobicContact CD2-CG 4.34Å; L1955-K1958 WeakPolarHBondContact O-CB 3.4Å; L1955-K1958 PolarHBondContact O-N 3.13Å; L1955-K1958 VanDerWaalsContact O-N 3.12Å; P1956-K1958 VanDerWaalsContact C-N 3.27Å; P1956-K1958 PolarHBondContact O-N 3.13Å; K1958-M1979 VanDerWaalsContact C-CE 3.45Å; K1958-M1979 HydrophobicContact CB-CE 3.47Å; K1958-M1979 VanDerWaalsContact CB-CE 3.47Å; K1958-M1979 WeakPolarHBondContact O-CE 3.31Å; K1958-G1984 CarbonylContact O-C 3.55Å; K1958-G1984 WeakPolarHBondContact O-CA 3.36Å; K1958-R1985 PolarHBondContact O-N 3.15Å; K1958-D2014 VanDerWaalsContact CA-OD2 3.29Å; K1958-D2014 WeakPolarHBondContact CA-OD2 3.49Å; K1958-D2014 HydrophobicContact CD-CB 4.21Å; K1958-V2217 HydrophobicContact CB-CG1 4.15Å; K1958-V2217 HydrophobicContact CD-CG1 3.7Å; K1958-V2217 HydrophobicContact CG-CG1 3.74Å
1959I93.9Very high84Confident53 Ų5345.6 Ų45.627%0.27226%0.261SS..EExtended strand (participates in β ladder)trans-115.2126.9179.4-58.4176.8000110.5R1985 I1987 A2013 D2014 V2015I1959-R1985 CarbonylContact C-O 3.57Å; I1959-R1985 WeakPolarHBondContact CA-O 3.2Å; I1959-R1985 HydrophobicContact CG1-CB 4.4Å; I1959-I1987 HydrophobicContact CG2-CD1 4.09Å; I1959-I1987 HydrophobicContact CG2-CG1 4.05Å; I1959-I1987 HydrophobicContact CG2-CG2 3.99Å; I1959-A2013 HydrophobicContact CG2-CB 4.25Å; I1959-A2013 WeakPolarHBondContact O-CB 3.2Å; I1959-D2014 PolarHBondContact N-OD2 3.45Å; I1959-D2014 PolarHBondContact O-N 3.21Å; I1959-V2015 PolarHBondContact O-N 3.5Å
1960M95.8Very high85.1Confident0 Ų045.6 Ų45.60%026%0.261CS..EExtended strand (participates in β ladder)trans-101.8126.9171.2-179.6-171.779.400110F1975 M1979 R1985 V1986 I1987 V2015 V2017 L2213M1960-F1975 HydrophobicContact CE-CB 3.91Å; M1960-F1975 HydrophobicContact SD-CB 4.06Å; M1960-F1975 HydrophobicContact SD-CD1 4.14Å; M1960-F1975 HydrophobicContact SD-CG 4.48Å; M1960-M1979 HydrophobicContact CB-CB 4.38Å; M1960-M1979 HydrophobicContact CB-CE 4.09Å; M1960-M1979 HydrophobicContact CB-CG 3.78Å; M1960-M1979 HydrophobicContact CB-SD 3.98Å; M1960-M1979 HydrophobicContact CE-CB 4.31Å; M1960-M1979 HydrophobicContact SD-CB 4.22Å; M1960-R1985 PolarHBondContact N-O 3.29Å; M1960-V1986 HydrophobicContact CE-CB 4.45Å; M1960-V1986 HydrophobicContact CE-CG1 3.7Å; M1960-V1986 HydrophobicContact CE-CG2 3.97Å; M1960-V1986 WeakPolarHBondContact O-CA 3.02Å; M1960-I1987 PolarHBondContact O-N 3Å; M1960-V2015 WeakPolarHBondContact CA-O 3.36Å; M1960-V2015 HydrophobicContact CB-CG1 3.89Å; M1960-V2015 HydrophobicContact CG-CG1 3.94Å; M1960-V2017 HydrophobicContact CG-CG2 3.88Å; M1960-V2017 HydrophobicContact SD-CG2 3.56Å; M1960-V2017 VanDerWaalsContact SD-CG2 3.56Å; M1960-L2213 HydrophobicContact SD-CD1 4.26Å; M1960-L2213 HydrophobicContact SD-CD2 4.01Å
1961A93.5Very high86.3Confident2 Ų242 Ų422%0.01724%0.238CC..EExtended strand (participates in β ladder)trans-88.6120.3167.700000111V1963 I1987 V2009 A2013 V2015 V2016 V2017A1961-V1963 HydrophobicContact CB-CG2 4.37Å; A1961-I1987 CarbonylContact C-O 3.55Å; A1961-I1987 WeakPolarHBondContact CA-O 3.22Å; A1961-I1987 HydrophobicContact CB-CD1 4.12Å; A1961-I1987 HydrophobicContact CB-CG1 3.85Å; A1961-V2009 HydrophobicContact CB-CG1 3.16Å; A1961-A2013 HydrophobicContact CB-CB 3.57Å; A1961-V2015 PolarHBondContact N-O 3.05Å; A1961-V2016 HydrophobicContact CB-CG1 4.44Å; A1961-V2016 HydrophobicContact CB-CG2 4.32Å; A1961-V2016 CarbonylContact O-C 3.6Å; A1961-V2017 PolarHBondContact O-N 3.49Å
1962S93.5Very high87.2Confident3 Ų344.1 Ų44.12%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-97.496.9175.4172.30000109.8F1964 I1987 S1988 M1989S1962-F1964 WeakPolarHBondContact OG-CD2 3.38Å; S1962-F1964 WeakPolarHBondContact OG-CE2 3.31Å; S1962-I1987 PolarHBondContact N-O 2.84Å; S1962-S1988 WeakPolarHBondContact O-CA 3.39Å; S1962-M1989 PolarHBondContact O-N 3.43Å
1963V92.2Very high88.1Confident1 Ų143.4 Ų43.41%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-105.4102.4-177-172.10000110.4A1961 Y1965 M1989 V2009 V2016 V2017 L2018 R2019A1961-V1963 HydrophobicContact CB-CG2 4.37Å; V1963-Y1965 HydrophobicContact CG1-CD2 4.18Å; V1963-Y1965 HydrophobicContact CG1-CE2 3.59Å; V1963-M1989 WeakPolarHBondContact CA-O 3.21Å; V1963-M1989 HydrophobicContact CG1-CG 4.48Å; V1963-M1989 HydrophobicContact CG1-SD 4.15Å; V1963-M1989 HydrophobicContact CG2-CB 4.34Å; V1963-M1989 HydrophobicContact CG2-SD 4.46Å; V1963-V2009 HydrophobicContact CG2-CG1 3.85Å; V1963-V2009 HydrophobicContact CG2-CG2 4.43Å; V1963-V2016 HydrophobicContact CG2-CG1 3.86Å; V1963-V2017 PolarHBondContact N-O 3.31Å; V1963-L2018 HydrophobicContact CB-CD1 3.88Å; V1963-L2018 HydrophobicContact CG1-CD1 3.61Å; V1963-L2018 CarbonylContact O-C 3.57Å; V1963-L2018 VanDerWaalsContact O-CA 3.31Å; V1963-L2018 WeakPolarHBondContact O-CA 3.44Å; V1963-R2019 PolarHBondContact O-N 3.16Å
1964F92.1Very high89.1Confident6 Ų638.1 Ų38.13%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-122.3102-175-81.6-113.5000111.1S1962 E1966 T1971 Q1972 M1989 D1990 V2017 R2019 A2040S1962-F1964 WeakPolarHBondContact OG-CD2 3.38Å; S1962-F1964 WeakPolarHBondContact OG-CE2 3.31Å; F1964-E1966 VanDerWaalsContact C-N 3.35Å; F1964-T1971 HydrophobicContact CE1-CG2 4.15Å; F1964-T1971 HydrophobicContact CZ-CG2 3.98Å; F1964-Q1972 HydrophobicContact CD1-CB 4.26Å; F1964-Q1972 HydrophobicContact CD2-CB 4.48Å; F1964-Q1972 HydrophobicContact CD2-CG 4.28Å; F1964-Q1972 HydrophobicContact CE1-CB 4Å; F1964-Q1972 HydrophobicContact CE2-CB 4.24Å; F1964-Q1972 HydrophobicContact CE2-CG 4.3Å; F1964-Q1972 HydrophobicContact CZ-CB 3.99Å; F1964-M1989 PolarHBondContact N-O 2.93Å; F1964-D1990 WeakPolarHBondContact O-CA 3.48Å; F1964-V2017 HydrophobicContact CE2-CG1 3.95Å; F1964-V2017 HydrophobicContact CZ-CG1 4.22Å; F1964-R2019 HydrophobicContact CD1-CB 3.62Å; F1964-R2019 HydrophobicContact CD1-CG 4.24Å; F1964-R2019 HydrophobicContact CE1-CB 3.81Å; F1964-R2019 HydrophobicContact CE1-CG 4.38Å; F1964-R2019 HydrophobicContact CG-CB 4.01Å; F1964-R2019 HydrophobicContact CZ-CB 4.37Å; F1964-A2040 HydrophobicContact CE1-CB 4.38Å; F1964-A2040 HydrophobicContact CZ-CB 3.88Å
1965Y88.1Confident89.8Confident24 Ų2437.4 Ų37.49%0.09422%0.221CC..SBendtrans-81-19.2171.9-67.7-83000113V1963 M1989 N1991 V1996 L2002 L2018 R2019 H2020V1963-Y1965 HydrophobicContact CG1-CD2 4.18Å; V1963-Y1965 HydrophobicContact CG1-CE2 3.59Å; Y1965-M1989 WeakPolarHBondContact OH-CE 3.21Å; Y1965-N1991 HydrophobicContact CD1-CB 3.87Å; Y1965-V1996 HydrophobicContact CD1-CG1 4.45Å; Y1965-V1996 HydrophobicContact CE1-CB 3.83Å; Y1965-V1996 HydrophobicContact CE1-CG1 3.83Å; Y1965-V1996 HydrophobicContact CE1-CG2 3.41Å; Y1965-V1996 VanDerWaalsContact CE1-CG2 3.41Å; Y1965-V1996 WeakPolarHBondContact OH-CG2 3.28Å; Y1965-L2002 HydrophobicContact CD2-CD1 4.48Å; Y1965-L2002 HydrophobicContact CE2-CD1 3.64Å; Y1965-L2018 HydrophobicContact CD2-CD1 3.94Å; Y1965-L2018 HydrophobicContact CE2-CD1 3.89Å; Y1965-R2019 PolarHBondContact N-O 3.02Å; Y1965-H2020 AromaticContact CD2-CD2 3.58Å; Y1965-H2020 AromaticContact CG-CD2 3.91Å
1966E83.5Confident90.1Very high34 Ų3438.4 Ų38.416%0.15923%0.23CC..SBendtrans-118.3127.1174.4-168.3-170.5-177.400108.7F1964 R2019 R2080 R2146F1964-E1966 VanDerWaalsContact C-N 3.35Å; E1966-R2019 HydrophobicContact CB-CG 4.26Å; E1966-R2019 WeakPolarHBondContact O-CD 3.18Å; E1966-R2019 IonicContact OE2-NE 3.84Å; E1966-R2019 PolarHBondContact OE2-NE 3.23Å; E1966-R2080 IonicContact OE1-CZ 3.79Å; E1966-R2080 IonicContact OE1-NH1 2.75Å; E1966-R2080 IonicContact OE1-NH2 2.67Å; E1966-R2080 PolarHBondContact OE1-NH2 3.18Å; E1966-R2080 IonicContact OE2-CZ 2.79Å; E1966-R2080 VanDerWaalsContact OE2-CZ 3.25Å; E1966-R2080 IonicContact OE2-NH1 3.93Å; E1966-R2080 PolarHBondContact OE2-NH1 3.32Å; E1966-R2080 IonicContact OE2-NH2 3.63Å; E1966-R2080 PolarHBondContact OE2-NH2 3.29Å; E1966-R2146 IonicContact OE1-NH2 2.79Å
1967V82.5Confident90.5Very high133 Ų13336.2 Ų36.281%0.80622%0.218SC*.  trans-65.8138.9-171.7-66.90000112.7
1968S87.7Confident90.9Very high9 Ų933.3 Ų33.36%0.06319%0.188CC..  trans-163.2104.8175.3167.80000113.3R1970 T1971 Q1972 R2019S1968-R1970 PolarHBondContact O-N 3.41Å; S1968-T1971 WeakPolarHBondContact OG-CB 3.49Å; S1968-T1971 PolarHBondContact OG-N 2.95Å; S1968-T1971 PolarHBondContact OG-OG1 3.47Å; S1968-Q1972 WeakPolarHBondContact O-CB 3.39Å; S1968-Q1972 PolarHBondContact O-N 3.21Å; S1968-Q1972 VanDerWaalsContact O-N 3.14Å; S1968-R2019 VanDerWaalsContact CB-CZ 3.44Å; S1968-R2019 PolarHBondContact OG-NH1 3.4Å
1969T86.8Confident91Very high106 Ų10631 Ų3165%0.6518%0.178SC*.Hα-helixtrans-55.7-53174.7-450000112.4C1973T1969-C1973 WeakPolarHBondContact O-CB 3.36Å; T1969-C1973 PolarHBondContact O-N 3.42Å; T1969-C1973 PolarHBondContact O-SG 3.1Å
1970R88.9Confident90.9Very high75 Ų7533.5 Ų33.528%0.28319%0.191SC..Hα-helixtrans-65.1-54.5-171.9-66.5173.6-58.9-79.4-11.3112.6S1968 S1974 P2179 L2180 P2181S1968-R1970 PolarHBondContact O-N 3.41Å; R1970-S1974 WeakPolarHBondContact O-CB 3.33Å; R1970-S1974 PolarHBondContact O-N 3.41Å; R1970-S1974 PolarHBondContact O-OG 2.96Å; R1970-P2179 VanDerWaalsContact CZ-O 3.31Å; R1970-P2179 PolarHBondContact NE-O 3.03Å; R1970-P2179 PolarHBondContact NH2-O 3.14Å; R1970-L2180 VanDerWaalsContact NH1-CB 3.26Å; R1970-L2180 PolarHBondContact NH2-O 3.18Å; R1970-P2181 VanDerWaalsContact NH2-CD 3.32Å
1971T90.3Very high90.6Very high3 Ų339 Ų392%0.01821%0.212CC..Hα-helixtrans-64.9-43.9-177.9-480000111.4F1964 S1968 S1974 F1975 R2019 A2040F1964-T1971 HydrophobicContact CE1-CG2 4.15Å; F1964-T1971 HydrophobicContact CZ-CG2 3.98Å; S1968-T1971 WeakPolarHBondContact OG-CB 3.49Å; S1968-T1971 PolarHBondContact OG-N 2.95Å; S1968-T1971 PolarHBondContact OG-OG1 3.47Å; T1971-S1974 PolarHBondContact O-OG 3.27Å; T1971-S1974 VanDerWaalsContact O-OG 3.1Å; T1971-F1975 HydrophobicContact CG2-CD2 3.94Å; T1971-F1975 HydrophobicContact CG2-CE2 3.95Å; T1971-F1975 VanDerWaalsContact O-CD2 3.28Å; T1971-F1975 WeakPolarHBondContact O-CD2 3.38Å; T1971-F1975 PolarHBondContact O-N 3.34Å; T1971-R2019 PolarHBondContact OG1-NH1 3.38Å; T1971-A2040 HydrophobicContact CG2-CB 3.83Å
1972Q92.1Very high90.4Very high60 Ų6038.9 Ų38.928%0.2821%0.211SC..Hα-helixtrans-66.3-52-179.6-172-179.712.800112F1964 S1968 S1974 F1975 A1976F1964-Q1972 HydrophobicContact CD1-CB 4.26Å; F1964-Q1972 HydrophobicContact CD2-CB 4.48Å; F1964-Q1972 HydrophobicContact CD2-CG 4.28Å; F1964-Q1972 HydrophobicContact CE1-CB 4Å; F1964-Q1972 HydrophobicContact CE2-CB 4.24Å; F1964-Q1972 HydrophobicContact CE2-CG 4.3Å; F1964-Q1972 HydrophobicContact CZ-CB 3.99Å; S1968-Q1972 WeakPolarHBondContact O-CB 3.39Å; S1968-Q1972 PolarHBondContact O-N 3.21Å; S1968-Q1972 VanDerWaalsContact O-N 3.14Å; Q1972-S1974 PolarHBondContact O-N 2.98Å; Q1972-F1975 PolarHBondContact O-N 2.87Å; Q1972-A1976 WeakPolarHBondContact O-CB 3.26Å; Q1972-A1976 PolarHBondContact O-N 3.31Å
1973C91.9Very high90.1Very high71 Ų7139.9 Ų39.948%0.4822%0.222SC..Hα-helixtrans-66.9-37.6-176.6-64.30000112.3T1969 A1976 A1977T1969-C1973 WeakPolarHBondContact O-CB 3.36Å; T1969-C1973 PolarHBondContact O-N 3.42Å; T1969-C1973 PolarHBondContact O-SG 3.1Å; C1973-A1976 PolarHBondContact O-N 3.01Å; C1973-A1977 VanDerWaalsContact O-CB 3.25Å; C1973-A1977 WeakPolarHBondContact O-CB 3.47Å; C1973-A1977 PolarHBondContact O-N 3.31Å
1974S93.4Very high90.1Very high14 Ų1440 Ų4010%0.09822%0.224CC..Hα-helixtrans-70.4-36.3178.557.80000113.3R1970 T1971 Q1972 A1978 R2209R1970-S1974 WeakPolarHBondContact O-CB 3.33Å; R1970-S1974 PolarHBondContact O-N 3.41Å; R1970-S1974 PolarHBondContact O-OG 2.96Å; T1971-S1974 PolarHBondContact O-OG 3.27Å; T1971-S1974 VanDerWaalsContact O-OG 3.1Å; Q1972-S1974 PolarHBondContact O-N 2.98Å; S1974-A1978 WeakPolarHBondContact O-CB 3.41Å; S1974-A1978 PolarHBondContact O-N 3.33Å; S1974-R2209 VanDerWaalsContact CB-NH1 3.32Å; S1974-R2209 WeakPolarHBondContact OG-CD 3.36Å; S1974-R2209 PolarHBondContact OG-NE 2.91Å; S1974-R2209 PolarHBondContact OG-NH1 3.28Å
1975F94.9Very high90.1Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-65.1-42.3170.6-93.3-68.2000111.2M1960 T1971 Q1972 A1978 M1979 V2017 I2038 A2040 T2049 R2209 L2213M1960-F1975 HydrophobicContact CE-CB 3.91Å; M1960-F1975 HydrophobicContact SD-CB 4.06Å; M1960-F1975 HydrophobicContact SD-CD1 4.14Å; M1960-F1975 HydrophobicContact SD-CG 4.48Å; T1971-F1975 HydrophobicContact CG2-CD2 3.94Å; T1971-F1975 HydrophobicContact CG2-CE2 3.95Å; T1971-F1975 VanDerWaalsContact O-CD2 3.28Å; T1971-F1975 WeakPolarHBondContact O-CD2 3.38Å; T1971-F1975 PolarHBondContact O-N 3.34Å; Q1972-F1975 PolarHBondContact O-N 2.87Å; F1975-A1978 PolarHBondContact O-N 2.86Å; F1975-M1979 WeakPolarHBondContact O-CB 3.42Å; F1975-M1979 PolarHBondContact O-N 2.85Å; F1975-V2017 HydrophobicContact CD1-CG1 4.44Å; F1975-V2017 HydrophobicContact CD1-CG2 3.82Å; F1975-V2017 HydrophobicContact CD2-CG1 3.68Å; F1975-V2017 HydrophobicContact CE1-CG2 3.97Å; F1975-V2017 HydrophobicContact CE2-CG1 3.76Å; F1975-V2017 HydrophobicContact CG-CG1 4.05Å; F1975-V2017 HydrophobicContact CG-CG2 4.11Å; F1975-V2017 HydrophobicContact CZ-CG1 4.18Å; F1975-V2017 HydrophobicContact CZ-CG2 4.39Å; F1975-I2038 HydrophobicContact CE1-CD1 4.31Å; F1975-I2038 HydrophobicContact CE1-CG2 4.3Å; F1975-I2038 HydrophobicContact CZ-CG2 3.8Å; F1975-A2040 HydrophobicContact CE2-CB 4.37Å; F1975-T2049 HydrophobicContact CZ-CG2 4.05Å; F1975-R2209 HydrophobicContact CD1-CB 3.94Å; F1975-R2209 HydrophobicContact CD1-CG 3.97Å; F1975-R2209 HydrophobicContact CD2-CG 4.18Å; F1975-R2209 HydrophobicContact CE1-CB 3.91Å; F1975-R2209 HydrophobicContact CE1-CG 3.71Å; F1975-R2209 HydrophobicContact CE2-CG 3.93Å; F1975-R2209 HydrophobicContact CG-CB 4.45Å; F1975-R2209 HydrophobicContact CG-CG 4.19Å; F1975-R2209 HydrophobicContact CZ-CB 4.41Å; F1975-R2209 HydrophobicContact CZ-CG 3.69Å; F1975-L2213 HydrophobicContact CD1-CD1 4.22Å; F1975-L2213 HydrophobicContact CD1-CG 4.4Å
1976A93Very high90.4Very high23 Ų2349.5 Ų49.519%0.1926%0.264CS..Hα-helixtrans-63.5-48.4177.900000111.6Q1972 C1973 A1978 M1979 L1980 V1986Q1972-A1976 WeakPolarHBondContact O-CB 3.26Å; Q1972-A1976 PolarHBondContact O-N 3.31Å; C1973-A1976 PolarHBondContact O-N 3.01Å; A1976-A1978 VanDerWaalsContact C-N 3.34Å; A1976-A1978 PolarHBondContact O-N 3.15Å; A1976-M1979 PolarHBondContact O-N 3.49Å; A1976-L1980 WeakPolarHBondContact O-CB 3.22Å; A1976-L1980 VanDerWaalsContact O-CG 3.26Å; A1976-L1980 WeakPolarHBondContact O-CG 3.35Å; A1976-L1980 PolarHBondContact O-N 2.95Å; A1976-V1986 HydrophobicContact CB-CG1 4.26Å; A1976-V1986 HydrophobicContact CB-CG2 4.2Å
1977A91.2Very high90.8Very high33 Ų3351 Ų5127%0.27327%0.273SS..Hα-helixtrans-60.9-41.8175.400000111.8C1973 L1980 R1981 M2206C1973-A1977 VanDerWaalsContact O-CB 3.25Å; C1973-A1977 WeakPolarHBondContact O-CB 3.47Å; C1973-A1977 PolarHBondContact O-N 3.31Å; A1977-L1980 PolarHBondContact O-N 3.4Å; A1977-R1981 WeakPolarHBondContact O-CB 3.49Å; A1977-R1981 WeakPolarHBondContact O-CG 3.33Å; A1977-R1981 PolarHBondContact O-N 3.49Å; A1977-M2206 HydrophobicContact CB-SD 4.26Å
1978A93Very high91.1Very high0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-59.9-48.6175.900000111.7S1974 F1975 A1976 L1980 R1981 L1982 M2206 R2209 M2210 L2213S1974-A1978 WeakPolarHBondContact O-CB 3.41Å; S1974-A1978 PolarHBondContact O-N 3.33Å; F1975-A1978 PolarHBondContact O-N 2.86Å; A1976-A1978 VanDerWaalsContact C-N 3.34Å; A1976-A1978 PolarHBondContact O-N 3.15Å; A1978-L1980 PolarHBondContact O-N 3.28Å; A1978-R1981 PolarHBondContact O-N 3.04Å; A1978-L1982 WeakPolarHBondContact O-CD1 3.37Å; A1978-L1982 WeakPolarHBondContact O-CG 3.22Å; A1978-L1982 PolarHBondContact O-N 2.92Å; A1978-M2206 HydrophobicContact CB-CG 4.44Å; A1978-R2209 HydrophobicContact CB-CB 3.99Å; A1978-M2210 HydrophobicContact CB-CB 4.27Å; A1978-M2210 HydrophobicContact CB-CG 3.42Å; A1978-M2210 VanDerWaalsContact CB-CG 3.42Å; A1978-L2213 HydrophobicContact CB-CD1 3.9Å
1979M93.4Very high91Very high0 Ų050.3 Ų50.30%027%0.271CS..Hα-helixtrans-62.9-43.1178.8-169.266.3176.400112L1955 K1958 M1960 F1975 A1976 L1982 G1983 G1984 V1986 L2213L1955-M1979 HydrophobicContact CD1-CE 4.42Å; L1955-M1979 HydrophobicContact CD1-SD 3.91Å; K1958-M1979 VanDerWaalsContact C-CE 3.45Å; K1958-M1979 HydrophobicContact CB-CE 3.47Å; K1958-M1979 VanDerWaalsContact CB-CE 3.47Å; K1958-M1979 WeakPolarHBondContact O-CE 3.31Å; M1960-M1979 HydrophobicContact CB-CB 4.38Å; M1960-M1979 HydrophobicContact CB-CE 4.09Å; M1960-M1979 HydrophobicContact CB-CG 3.78Å; M1960-M1979 HydrophobicContact CB-SD 3.98Å; M1960-M1979 HydrophobicContact CE-CB 4.31Å; M1960-M1979 HydrophobicContact SD-CB 4.22Å; F1975-M1979 WeakPolarHBondContact O-CB 3.42Å; F1975-M1979 PolarHBondContact O-N 2.85Å; A1976-M1979 PolarHBondContact O-N 3.49Å; M1979-L1982 PolarHBondContact O-N 2.96Å; M1979-G1983 PolarHBondContact O-N 2.99Å; M1979-G1984 WeakPolarHBondContact O-CA 3.49Å; M1979-G1984 PolarHBondContact O-N 2.89Å; M1979-V1986 HydrophobicContact CB-CG2 3.82Å; M1979-V1986 HydrophobicContact CG-CG2 4.05Å; M1979-L2213 HydrophobicContact CB-CD1 4.04Å; M1979-L2213 HydrophobicContact SD-CD1 4.16Å; M1979-L2213 HydrophobicContact SD-CD2 4.41Å
1980L91.2Very high90.8Very high106 Ų10648 Ų4856%0.55526%0.255SS*.Hα-helixtrans-65.8-43.1179-70.1168.6000112.1A1976 A1977 A1978 L1982 G1983 V1986A1976-L1980 WeakPolarHBondContact O-CB 3.22Å; A1976-L1980 VanDerWaalsContact O-CG 3.26Å; A1976-L1980 WeakPolarHBondContact O-CG 3.35Å; A1976-L1980 PolarHBondContact O-N 2.95Å; A1977-L1980 PolarHBondContact O-N 3.4Å; A1978-L1980 PolarHBondContact O-N 3.28Å; L1980-L1982 PolarHBondContact O-N 3.27Å; L1980-G1983 PolarHBondContact O-N 2.82Å; L1980-V1986 HydrophobicContact CG-CG2 4.27Å
1981R88.6Confident90.2Very high115 Ų11548 Ų4843%0.43426%0.26SS..Hα-helixtrans-63.7-25.7176.5-77.6-176.2176.4-105.33.6113.1V1951 D1952 A1977 A1978 G1983 M2206 M2210V1951-R1981 CarbonylContact C-O 3.04Å; D1952-R1981 PolarHBondContact N-O 2.97Å; A1977-R1981 WeakPolarHBondContact O-CB 3.49Å; A1977-R1981 WeakPolarHBondContact O-CG 3.33Å; A1977-R1981 PolarHBondContact O-N 3.49Å; A1978-R1981 PolarHBondContact O-N 3.04Å; R1981-G1983 VanDerWaalsContact C-N 3.32Å; R1981-M2206 PolarHBondContact NE-SD 3.36Å; R1981-M2210 HydrophobicContact CB-CE 4.09Å; R1981-M2210 HydrophobicContact CB-SD 4.4Å
1982L90Very high89.5Confident0 Ų054.2 Ų54.20%029%0.292CS..THydrogen-bonded Turntrans-87.33.1175-62.7169.5000113.4L1941 V1951 D1952 L1954 L1955 A1978 M1979 L1980 M2210 L2213L1941-L1982 HydrophobicContact CD2-CD2 4.28Å; V1951-L1982 HydrophobicContact CG1-CD2 4.22Å; D1952-L1982 CarbonylContact C-O 3.56Å; L1954-L1982 HydrophobicContact CB-CD2 4.12Å; L1954-L1982 HydrophobicContact CD1-CD2 3.54Å; L1954-L1982 HydrophobicContact CG-CD2 4.47Å; L1955-L1982 WeakPolarHBondContact CA-O 3.37Å; L1955-L1982 HydrophobicContact CB-CB 4.14Å; L1955-L1982 HydrophobicContact CD1-CB 4.03Å; L1955-L1982 HydrophobicContact CD1-CD1 3.63Å; L1955-L1982 HydrophobicContact CD1-CG 4.48Å; L1955-L1982 HydrophobicContact CG-CB 4.12Å; L1955-L1982 HydrophobicContact CG-CD1 4.36Å; L1955-L1982 PolarHBondContact N-O 3.5Å; A1978-L1982 WeakPolarHBondContact O-CD1 3.37Å; A1978-L1982 WeakPolarHBondContact O-CG 3.22Å; A1978-L1982 PolarHBondContact O-N 2.92Å; M1979-L1982 PolarHBondContact O-N 2.96Å; L1980-L1982 PolarHBondContact O-N 3.27Å; L1982-M2210 HydrophobicContact CD1-CB 4.02Å; L1982-M2210 HydrophobicContact CD1-CG 4.33Å; L1982-M2210 WeakPolarHBondContact CD1-O 3.48Å; L1982-M2210 HydrophobicContact CD2-CB 4.25Å; L1982-M2210 HydrophobicContact CD2-CE 3.86Å; L1982-M2210 HydrophobicContact CG-CB 4.28Å; L1982-M2210 HydrophobicContact CG-CE 4.24Å; L1982-M2210 HydrophobicContact CG-CG 4.29Å; L1982-L2213 HydrophobicContact CD1-CB 3.94Å; L1982-L2213 HydrophobicContact CD1-CD1 4.48Å
1983G88.2Confident88.8Confident24 Ų2456.3 Ų56.325%0.24731%0.309CS..THydrogen-bonded Turntrans84.96.4-178.800000115.6D1952 P1956 M1979 L1980 R1981D1952-G1983 VanDerWaalsContact O-CA 3.26Å; D1952-G1983 WeakPolarHBondContact O-CA 3.39Å; P1956-G1983 WeakPolarHBondContact CA-O 3.26Å; M1979-G1983 PolarHBondContact O-N 2.99Å; L1980-G1983 PolarHBondContact O-N 2.82Å; R1981-G1983 VanDerWaalsContact C-N 3.32Å
1984G90.4Very high88.4Confident5 Ų553.8 Ų53.85%0.05229%0.292CS..  trans-80.3178175.200000113.6L1955 K1958 M1979L1955-G1984 WeakPolarHBondContact O-CA 3.42Å; K1958-G1984 CarbonylContact O-C 3.55Å; K1958-G1984 WeakPolarHBondContact O-CA 3.36Å; M1979-G1984 WeakPolarHBondContact O-CA 3.49Å; M1979-G1984 PolarHBondContact O-N 2.89Å
1985R93.3Very high87.9Confident182 Ų18255.3 Ų55.369%0.68730%0.303SS*.EExtended strand (participates in β ladder)trans-122.5157.6173.4-63.6-174.3-179.4-169.3-0110.9K1958 I1959 M1960K1958-R1985 PolarHBondContact O-N 3.15Å; I1959-R1985 CarbonylContact C-O 3.57Å; I1959-R1985 WeakPolarHBondContact CA-O 3.2Å; I1959-R1985 HydrophobicContact CG1-CB 4.4Å; M1960-R1985 PolarHBondContact N-O 3.29Å
1986V94.3Very high87.1Confident46 Ų4657 Ų5728%0.27931%0.313SS..EExtended strand (participates in β ladder)trans-125.3134.2-175.5-174.40000110.2M1960 A1976 M1979 L1980M1960-V1986 HydrophobicContact CE-CB 4.45Å; M1960-V1986 HydrophobicContact CE-CG1 3.7Å; M1960-V1986 HydrophobicContact CE-CG2 3.97Å; M1960-V1986 WeakPolarHBondContact O-CA 3.02Å; A1976-V1986 HydrophobicContact CB-CG1 4.26Å; A1976-V1986 HydrophobicContact CB-CG2 4.2Å; M1979-V1986 HydrophobicContact CB-CG2 3.82Å; M1979-V1986 HydrophobicContact CG-CG2 4.05Å; L1980-V1986 HydrophobicContact CG-CG2 4.27Å
1987I91.8Very high86.3Confident67 Ų6763.9 Ų63.934%0.34434%0.339SS..EExtended strand (participates in β ladder)trans-116.7134.3167.562.4178.8000108.6I1959 M1960 A1961 S1962 A2013I1959-I1987 HydrophobicContact CG2-CD1 4.09Å; I1959-I1987 HydrophobicContact CG2-CG1 4.05Å; I1959-I1987 HydrophobicContact CG2-CG2 3.99Å; M1960-I1987 PolarHBondContact O-N 3Å; A1961-I1987 CarbonylContact C-O 3.55Å; A1961-I1987 WeakPolarHBondContact CA-O 3.22Å; A1961-I1987 HydrophobicContact CB-CD1 4.12Å; A1961-I1987 HydrophobicContact CB-CG1 3.85Å; S1962-I1987 PolarHBondContact N-O 2.84Å; I1987-A2013 HydrophobicContact CD1-CB 4.29Å
1988S87.9Confident85.9Confident97 Ų9771.2 Ų71.268%0.67836%0.364SS*.EExtended strand (participates in β ladder)trans-111.3142.1-176.154.30000112.5S1962S1962-S1988 WeakPolarHBondContact O-CA 3.39Å
1989M85.8Confident85.3Confident29 Ų2974.4 Ų74.414%0.14340%0.397CS..EExtended strand (participates in β ladder)trans-138.8134.5175179.7-175.3161.900108.8S1962 V1963 F1964 Y1965 V1996 V2009S1962-M1989 PolarHBondContact O-N 3.43Å; V1963-M1989 WeakPolarHBondContact CA-O 3.21Å; V1963-M1989 HydrophobicContact CG1-CG 4.48Å; V1963-M1989 HydrophobicContact CG1-SD 4.15Å; V1963-M1989 HydrophobicContact CG2-CB 4.34Å; V1963-M1989 HydrophobicContact CG2-SD 4.46Å; F1964-M1989 PolarHBondContact N-O 2.93Å; Y1965-M1989 WeakPolarHBondContact OH-CE 3.21Å; M1989-V1996 HydrophobicContact CE-CG2 4.23Å; M1989-V2009 HydrophobicContact SD-CG2 3.51Å; M1989-V2009 VanDerWaalsContact SD-CG2 3.51Å
1990D82.5Confident85Confident57 Ų5777.3 Ų77.331%0.30541%0.411SS..EExtended strand (participates in β ladder)trans-131.7176.1175.765.235000111.6F1964 I1992 T1993 S1994F1964-D1990 WeakPolarHBondContact O-CA 3.48Å; D1990-I1992 PolarHBondContact O-N 2.85Å; D1990-I1992 WeakPolarHBondContact OD1-CA 3.4Å; D1990-I1992 PolarHBondContact OD1-N 2.89Å; D1990-T1993 VanDerWaalsContact CG-OG1 3.23Å; D1990-T1993 WeakPolarHBondContact OD1-CB 3.49Å; D1990-T1993 WeakPolarHBondContact OD1-CG2 3.26Å; D1990-T1993 PolarHBondContact OD1-N 2.78Å; D1990-T1993 PolarHBondContact OD1-OG1 2.79Å; D1990-S1994 WeakPolarHBondContact O-CB 3.33Å; D1990-S1994 PolarHBondContact O-N 2.8Å; D1990-S1994 PolarHBondContact O-OG 2.74Å
1991N76.7Confident84.8Confident76 Ų7674.3 Ų74.341%0.40640%0.399SS..THydrogen-bonded Turntrans-67.4-21.9-179.7-165.622.8000113.6Y1965 V1996Y1965-N1991 HydrophobicContact CD1-CB 3.87Å; N1991-V1996 WeakPolarHBondContact OD1-CG1 3.14Å
1992I76.7Confident84.8Confident133 Ų13369.7 Ų69.768%0.68238%0.383SS*.THydrogen-bonded Turntrans-87.7-38.6-172.5-57.3173.9000110.7D1990D1990-I1992 PolarHBondContact O-N 2.85Å; D1990-I1992 WeakPolarHBondContact OD1-CA 3.4Å; D1990-I1992 PolarHBondContact OD1-N 2.89Å
1993T77.5Confident84.8Confident105 Ų10571.8 Ų71.864%0.64439%0.392SS*.THydrogen-bonded Turntrans-97.5-13.7-171.7580000113.6D1990D1990-T1993 VanDerWaalsContact CG-OG1 3.23Å; D1990-T1993 WeakPolarHBondContact OD1-CB 3.49Å; D1990-T1993 WeakPolarHBondContact OD1-CG2 3.26Å; D1990-T1993 PolarHBondContact OD1-N 2.78Å; D1990-T1993 PolarHBondContact OD1-OG1 2.79Å
1994S81.9Confident84.8Confident17 Ų1774.4 Ų74.412%0.11940%0.401CS..SBendtrans-92.6169-176.568.30000114.6D1990 V1996 K1997D1990-S1994 WeakPolarHBondContact O-CB 3.33Å; D1990-S1994 PolarHBondContact O-N 2.8Å; D1990-S1994 PolarHBondContact O-OG 2.74Å; S1994-V1996 PolarHBondContact O-N 2.74Å; S1994-V1996 VanDerWaalsContact O-N 3.09Å; S1994-V1996 PolarHBondContact OG-N 3.38Å; S1994-K1997 PolarHBondContact O-N 2.91Å
1995S82.9Confident84.8Confident47 Ų4774.2 Ų74.233%0.32940%0.399SS..G310 helixtrans-61.8-10173.1-66.50000114K1997 K1998 G1999 E2000S1995-K1997 PolarHBondContact O-N 2.83Å; S1995-K1998 WeakPolarHBondContact O-CA 3.36Å; S1995-K1998 VanDerWaalsContact O-CB 3.32Å; S1995-K1998 WeakPolarHBondContact O-CB 3.41Å; S1995-K1998 PolarHBondContact O-N 2.82Å; S1995-G1999 PolarHBondContact O-N 2.96Å; S1995-E2000 WeakPolarHBondContact CB-OE2 3.4Å; S1995-E2000 WeakPolarHBondContact O-CB 3.31Å; S1995-E2000 PolarHBondContact O-N 2.85Å
1996V77.9Confident84.7Confident34 Ų3465.5 Ų65.521%0.20637%0.366CS..G310 helixtrans-61.5-30.1173.2177.70000111.9Y1965 M1989 N1991 S1994 K1998 G1999 S2005Y1965-V1996 HydrophobicContact CD1-CG1 4.45Å; Y1965-V1996 HydrophobicContact CE1-CB 3.83Å; Y1965-V1996 HydrophobicContact CE1-CG1 3.83Å; Y1965-V1996 HydrophobicContact CE1-CG2 3.41Å; Y1965-V1996 VanDerWaalsContact CE1-CG2 3.41Å; Y1965-V1996 WeakPolarHBondContact OH-CG2 3.28Å; M1989-V1996 HydrophobicContact CE-CG2 4.23Å; N1991-V1996 WeakPolarHBondContact OD1-CG1 3.14Å; S1994-V1996 PolarHBondContact O-N 2.74Å; S1994-V1996 VanDerWaalsContact O-N 3.09Å; S1994-V1996 PolarHBondContact OG-N 3.38Å; V1996-K1998 PolarHBondContact O-N 3.06Å; V1996-K1998 VanDerWaalsContact O-N 3.16Å; V1996-G1999 PolarHBondContact O-N 3.45Å; V1996-S2005 WeakPolarHBondContact CG2-OG 3.19Å
1997K77.2Confident84.4Confident169 Ų16968 Ų6874%0.73537%0.373SS*.G310 helixtrans-59.1-26.6170.3-172.7176.7179.3179.90113.1S1994 S1995 G1999S1994-K1997 PolarHBondContact O-N 2.91Å; S1995-K1997 PolarHBondContact O-N 2.83Å; K1997-G1999 VanDerWaalsContact C-N 3.34Å
1998K82.7Confident84.2Confident186 Ų18667.6 Ų67.681%0.80937%0.374SS*.G310 helixtrans-88.2-1175.7-56176.7-178.3172.60112.8S1995 V1996S1995-K1998 WeakPolarHBondContact O-CA 3.36Å; S1995-K1998 VanDerWaalsContact O-CB 3.32Å; S1995-K1998 WeakPolarHBondContact O-CB 3.41Å; S1995-K1998 PolarHBondContact O-N 2.82Å; V1996-K1998 PolarHBondContact O-N 3.06Å; V1996-K1998 VanDerWaalsContact O-N 3.16Å
1999G79.4Confident84.3Confident67 Ų6763.7 Ų63.769%0.69135%0.346SS*.THydrogen-bonded Turntrans91.219.7-176.900000115.2S1995 V1996 K1997S1995-G1999 PolarHBondContact O-N 2.96Å; V1996-G1999 PolarHBondContact O-N 3.45Å; K1997-G1999 VanDerWaalsContact C-N 3.34Å
2000E87.4Confident84.4Confident62 Ų6262.6 Ų62.629%0.2934%0.341SS..  trans-61.6135.7172-172.1175.2-104.200111.1S1995 D2004 S2005S1995-E2000 WeakPolarHBondContact CB-OE2 3.4Å; S1995-E2000 WeakPolarHBondContact O-CB 3.31Å; S1995-E2000 PolarHBondContact O-N 2.85Å; E2000-D2004 HydrophobicContact CG-CB 3.97Å; E2000-S2005 WeakPolarHBondContact OE2-CA 3.44Å; E2000-S2005 WeakPolarHBondContact OE2-CB 3.45Å; E2000-S2005 PolarHBondContact OE2-OG 3.17Å
2001S88.2Confident84.6Confident43 Ų4364.4 Ų64.430%0.30136%0.358SS..  trans-67.5150.1176.676.70000111E2003 D2004 S2005S2001-E2003 PolarHBondContact O-N 3.28Å; S2001-D2004 PolarHBondContact O-N 3.23Å; S2001-D2004 WeakPolarHBondContact OG-CB 3.36Å; S2001-D2004 PolarHBondContact OG-N 3.36Å; S2001-D2004 VanDerWaalsContact OG-N 3.11Å; S2001-D2004 PolarHBondContact OG-OD2 3.49Å; S2001-S2005 PolarHBondContact O-N 2.89Å; S2001-S2005 PolarHBondContact O-OG 3.31Å
2002L88.8Confident85.3Confident17 Ų1768 Ų689%0.08937%0.367CS..Hα-helixtrans-57.7-38.9175.8174.963.7000110.8Y1965 D2004 S2005 I2006 L2018 A2025 A2029Y1965-L2002 HydrophobicContact CD2-CD1 4.48Å; Y1965-L2002 HydrophobicContact CE2-CD1 3.64Å; L2002-D2004 PolarHBondContact O-N 2.9Å; L2002-S2005 PolarHBondContact O-N 2.79Å; L2002-I2006 HydrophobicContact CD1-CD1 4.42Å; L2002-I2006 HydrophobicContact CD1-CG1 3.86Å; L2002-I2006 HydrophobicContact CG-CG1 4.31Å; L2002-I2006 WeakPolarHBondContact O-CB 3.11Å; L2002-I2006 WeakPolarHBondContact O-CG1 3.48Å; L2002-I2006 PolarHBondContact O-N 2.79Å; L2002-L2018 HydrophobicContact CD1-CD1 4.38Å; L2002-L2018 HydrophobicContact CD1-CD2 4.37Å; L2002-A2025 HydrophobicContact CD2-CB 3.9Å; L2002-A2029 HydrophobicContact CD2-CB 4.26Å; L2002-A2029 HydrophobicContact CG-CB 4.35Å
2003E89.4Confident86Confident44 Ų4461.9 Ų61.921%0.20634%0.336CS..Hα-helixtrans-61-41.9179.9-63.778.3-174.600112S2001 K2007 R2028 F2032S2001-E2003 PolarHBondContact O-N 3.28Å; E2003-K2007 WeakPolarHBondContact O-CG 3.41Å; E2003-K2007 PolarHBondContact O-N 3.48Å; E2003-K2007 VanDerWaalsContact O-N 3.17Å; E2003-R2028 IonicContact OE1-NH1 3.65Å; E2003-F2032 HydrophobicContact CB-CD1 4.36Å; E2003-F2032 HydrophobicContact CB-CD2 3.8Å; E2003-F2032 HydrophobicContact CB-CE1 4.49Å; E2003-F2032 HydrophobicContact CB-CE2 3.99Å; E2003-F2032 HydrophobicContact CB-CG 4Å; E2003-F2032 HydrophobicContact CB-CZ 4.31Å; E2003-F2032 HydrophobicContact CG-CD2 3.4Å; E2003-F2032 HydrophobicContact CG-CE1 4.43Å; E2003-F2032 HydrophobicContact CG-CE2 3.22Å; E2003-F2032 HydrophobicContact CG-CG 4.11Å; E2003-F2032 HydrophobicContact CG-CZ 3.78Å
2004D88.7Confident86.7Confident79 Ų7959 Ų5942%0.42232%0.316SS..Hα-helixtrans-74.4-44.6178-65.6-37.4000111.8E2000 S2001 L2002 I2006 K2007 V2008E2000-D2004 HydrophobicContact CG-CB 3.97Å; S2001-D2004 PolarHBondContact O-N 3.23Å; S2001-D2004 WeakPolarHBondContact OG-CB 3.36Å; S2001-D2004 PolarHBondContact OG-N 3.36Å; S2001-D2004 VanDerWaalsContact OG-N 3.11Å; S2001-D2004 PolarHBondContact OG-OD2 3.49Å; L2002-D2004 PolarHBondContact O-N 2.9Å; D2004-I2006 VanDerWaalsContact C-N 3.25Å; D2004-I2006 PolarHBondContact O-N 3.01Å; D2004-K2007 PolarHBondContact O-N 3.32Å; D2004-V2008 WeakPolarHBondContact O-CG2 3.25Å; D2004-V2008 PolarHBondContact O-N 3.11Å
2005S89.6Confident87.4Confident1 Ų158.2 Ų58.21%0.00731%0.311CS..Hα-helixtrans-53.8-44.8173.9-69.60000111.5V1996 E2000 S2001 L2002 V2008 V2009V1996-S2005 WeakPolarHBondContact CG2-OG 3.19Å; E2000-S2005 WeakPolarHBondContact OE2-CA 3.44Å; E2000-S2005 WeakPolarHBondContact OE2-CB 3.45Å; E2000-S2005 PolarHBondContact OE2-OG 3.17Å; S2001-S2005 PolarHBondContact O-N 2.89Å; S2001-S2005 PolarHBondContact O-OG 3.31Å; L2002-S2005 PolarHBondContact O-N 2.79Å; S2005-V2008 PolarHBondContact O-N 3.08Å; S2005-V2009 WeakPolarHBondContact O-CB 3.46Å; S2005-V2009 VanDerWaalsContact O-CG2 3.28Å; S2005-V2009 WeakPolarHBondContact O-CG2 3.48Å; S2005-V2009 PolarHBondContact O-N 3.09Å
2006I90.7Very high87.9Confident0 Ų056 Ų560%030%0.295CS..Hα-helixtrans-70.8-36.7-178.2-67.3-71.1000111.9L2002 D2004 V2008 S2010 V2016 L2018 A2029 L2037L2002-I2006 HydrophobicContact CD1-CD1 4.42Å; L2002-I2006 HydrophobicContact CD1-CG1 3.86Å; L2002-I2006 HydrophobicContact CG-CG1 4.31Å; L2002-I2006 WeakPolarHBondContact O-CB 3.11Å; L2002-I2006 WeakPolarHBondContact O-CG1 3.48Å; L2002-I2006 PolarHBondContact O-N 2.79Å; D2004-I2006 VanDerWaalsContact C-N 3.25Å; D2004-I2006 PolarHBondContact O-N 3.01Å; I2006-V2008 VanDerWaalsContact C-N 3.33Å; I2006-V2008 PolarHBondContact O-N 3.03Å; I2006-S2010 WeakPolarHBondContact O-CB 3.38Å; I2006-S2010 PolarHBondContact O-N 2.86Å; I2006-S2010 PolarHBondContact O-OG 3.35Å; I2006-V2016 HydrophobicContact CD1-CG1 4.14Å; I2006-L2018 HydrophobicContact CD1-CD1 4.17Å; I2006-L2018 HydrophobicContact CD1-CD2 3.94Å; I2006-L2018 HydrophobicContact CG1-CD2 4.5Å; I2006-A2029 HydrophobicContact CD1-CB 4.4Å; I2006-A2029 HydrophobicContact CG1-CB 3.9Å; I2006-A2029 HydrophobicContact CG2-CB 4.33Å; I2006-L2037 HydrophobicContact CD1-CD1 4.41Å; I2006-L2037 HydrophobicContact CG2-CD1 4.12Å
2007K88.4Confident88.7Confident97 Ų9754.3 Ų54.342%0.42229%0.285SS..Hα-helixtrans-60.1-43.1172.1-79.7173.9-173.1162.60112.1E2003 D2004 S2011 F2032E2003-K2007 WeakPolarHBondContact O-CG 3.41Å; E2003-K2007 PolarHBondContact O-N 3.48Å; E2003-K2007 VanDerWaalsContact O-N 3.17Å; D2004-K2007 PolarHBondContact O-N 3.32Å; K2007-S2011 PolarHBondContact O-N 3.44Å; K2007-S2011 PolarHBondContact O-OG 3.32Å; K2007-F2032 HydrophobicContact CG-CB 4.19Å; K2007-F2032 WeakPolarHBondContact CG-O 3.31Å
2008V88.8Confident89.5Confident60 Ų6046.3 Ų46.336%0.36425%0.25SS..Hα-helixtrans-65.3-53.6178.9173.40000110.2D2004 S2005 I2006 S2010 S2011 Y2012D2004-V2008 WeakPolarHBondContact O-CG2 3.25Å; D2004-V2008 PolarHBondContact O-N 3.11Å; S2005-V2008 PolarHBondContact O-N 3.08Å; I2006-V2008 VanDerWaalsContact C-N 3.33Å; I2006-V2008 PolarHBondContact O-N 3.03Å; V2008-S2010 VanDerWaalsContact C-N 3.33Å; V2008-S2010 PolarHBondContact O-N 3.17Å; V2008-S2011 VanDerWaalsContact O-CB 3.27Å; V2008-S2011 WeakPolarHBondContact O-CB 3.37Å; V2008-S2011 PolarHBondContact O-N 3.05Å; V2008-Y2012 HydrophobicContact CG1-CD2 4.43Å; V2008-Y2012 HydrophobicContact CG1-CE2 3.58Å
2009V88.7Confident90Very high15 Ų1538.5 Ų38.59%0.09122%0.216CC..Hα-helixtrans-62-40.1-178.4172.20000112.2A1961 V1963 M1989 S2005 S2011 Y2012 A2013 V2016A1961-V2009 HydrophobicContact CB-CG1 3.16Å; V1963-V2009 HydrophobicContact CG2-CG1 3.85Å; V1963-V2009 HydrophobicContact CG2-CG2 4.43Å; M1989-V2009 HydrophobicContact SD-CG2 3.51Å; M1989-V2009 VanDerWaalsContact SD-CG2 3.51Å; S2005-V2009 WeakPolarHBondContact O-CB 3.46Å; S2005-V2009 VanDerWaalsContact O-CG2 3.28Å; S2005-V2009 WeakPolarHBondContact O-CG2 3.48Å; S2005-V2009 PolarHBondContact O-N 3.09Å; V2009-S2011 PolarHBondContact O-N 3.48Å; V2009-S2011 VanDerWaalsContact O-N 3.14Å; V2009-Y2012 PolarHBondContact O-N 2.91Å; V2009-A2013 PolarHBondContact O-N 3.23Å; V2009-V2016 HydrophobicContact CG1-CG1 4.34Å; V2009-V2016 HydrophobicContact CG1-CG2 4.18Å
2010S88.4Confident90.6Very high6 Ų636.5 Ų36.54%0.04219%0.188CC..Hα-helixtrans-65.9-12.7176.5-55.40000113.2I2006 V2008 S2033 K2035I2006-S2010 WeakPolarHBondContact O-CB 3.38Å; I2006-S2010 PolarHBondContact O-N 2.86Å; I2006-S2010 PolarHBondContact O-OG 3.35Å; V2008-S2010 VanDerWaalsContact C-N 3.33Å; V2008-S2010 PolarHBondContact O-N 3.17Å; S2010-S2033 WeakPolarHBondContact CB-OG 3.18Å; S2010-S2033 WeakPolarHBondContact OG-CB 3.29Å; S2010-S2033 PolarHBondContact OG-OG 3.12Å; S2010-K2035 WeakPolarHBondContact O-CG 3.45Å
2011S87.7Confident90.5Very high94 Ų9436.1 Ų36.166%0.65719%0.192SC*.Hα-helixtrans-84-19.6172.5-56.80000112.6K2007 V2008 V2009K2007-S2011 PolarHBondContact O-N 3.44Å; K2007-S2011 PolarHBondContact O-OG 3.32Å; V2008-S2011 VanDerWaalsContact O-CB 3.27Å; V2008-S2011 WeakPolarHBondContact O-CB 3.37Å; V2008-S2011 PolarHBondContact O-N 3.05Å; V2009-S2011 PolarHBondContact O-N 3.48Å; V2009-S2011 VanDerWaalsContact O-N 3.14Å
2012Y90Very high90.5Very high153 Ų15336.5 Ų36.560%0.619%0.194SC*.Hα-helixtrans-100.6-23-178.6-55.6-35.6000114.1V2008 V2009V2008-Y2012 HydrophobicContact CG1-CD2 4.43Å; V2008-Y2012 HydrophobicContact CG1-CE2 3.58Å; V2009-Y2012 PolarHBondContact O-N 2.91Å
2013A92.3Very high90.3Very high4 Ų439.1 Ų39.13%0.03321%0.212CC..  trans-116.2157.9-174.800000112.7I1959 A1961 I1987 V2009 K2035I1959-A2013 HydrophobicContact CG2-CB 4.25Å; I1959-A2013 WeakPolarHBondContact O-CB 3.2Å; A1961-A2013 HydrophobicContact CB-CB 3.57Å; I1987-A2013 HydrophobicContact CD1-CB 4.29Å; V2009-A2013 PolarHBondContact O-N 3.23Å; A2013-K2035 WeakPolarHBondContact O-CG 3.19Å
2014D92.7Very high90.2Very high44 Ų4438.5 Ų38.524%0.23522%0.218CC..SBendtrans-84.6-24.4171.4-66.1-73.2000112.3K1958 I1959 P2036 V2217K1958-D2014 VanDerWaalsContact CA-OD2 3.29Å; K1958-D2014 WeakPolarHBondContact CA-OD2 3.49Å; K1958-D2014 HydrophobicContact CD-CB 4.21Å; I1959-D2014 PolarHBondContact N-OD2 3.45Å; I1959-D2014 PolarHBondContact O-N 3.21Å; D2014-P2036 WeakPolarHBondContact O-CD 3.39Å; D2014-V2217 HydrophobicContact CB-CG1 4.43Å
2015V94.9Very high90.1Very high0 Ų034.8 Ų34.80%020%0.198CC..EExtended strand (participates in β ladder)trans-148.6143.1177.255.50000110I1959 M1960 A1961 P2036 I2038 L2213 V2217I1959-V2015 PolarHBondContact O-N 3.5Å; M1960-V2015 WeakPolarHBondContact CA-O 3.36Å; M1960-V2015 HydrophobicContact CB-CG1 3.89Å; M1960-V2015 HydrophobicContact CG-CG1 3.94Å; A1961-V2015 PolarHBondContact N-O 3.05Å; V2015-P2036 WeakPolarHBondContact CA-O 3.2Å; V2015-P2036 HydrophobicContact CG2-CB 4.23Å; V2015-I2038 HydrophobicContact CG2-CD1 3.86Å; V2015-I2038 HydrophobicContact CG2-CG1 4.09Å; V2015-L2213 HydrophobicContact CG1-CD2 4.08Å; V2015-V2217 HydrophobicContact CB-CG2 3.84Å; V2015-V2217 HydrophobicContact CG1-CG2 3.59Å; V2015-V2217 HydrophobicContact CG2-CG2 4.43Å
2016V94.3Very high90.2Very high0 Ų034.7 Ų34.70%020%0.197CC..EExtended strand (participates in β ladder)trans-114.3122.4178.9-175.10000109.6A1961 V1963 I2006 V2009 P2036 L2037 I2038A1961-V2016 HydrophobicContact CB-CG1 4.44Å; A1961-V2016 HydrophobicContact CB-CG2 4.32Å; A1961-V2016 CarbonylContact O-C 3.6Å; V1963-V2016 HydrophobicContact CG2-CG1 3.86Å; I2006-V2016 HydrophobicContact CD1-CG1 4.14Å; V2009-V2016 HydrophobicContact CG1-CG1 4.34Å; V2009-V2016 HydrophobicContact CG1-CG2 4.18Å; V2016-P2036 PolarHBondContact N-O 3.06Å; V2016-L2037 HydrophobicContact CB-CD1 4.47Å; V2016-L2037 HydrophobicContact CB-CG 4.25Å; V2016-L2037 HydrophobicContact CG1-CD1 4.43Å; V2016-L2037 HydrophobicContact CG1-CG 4.47Å; V2016-L2037 CarbonylContact O-C 3.47Å; V2016-L2037 VanDerWaalsContact O-CA 3.24Å; V2016-L2037 WeakPolarHBondContact O-CA 3.42Å; V2016-I2038 PolarHBondContact O-N 2.95Å
2017V95.5Very high90.1Very high0 Ų037 Ų370%022%0.217CC..EExtended strand (participates in β ladder)trans-99.3114.9169.9178.90000107.4M1960 A1961 V1963 F1964 F1975 I2038 A2040M1960-V2017 HydrophobicContact CG-CG2 3.88Å; M1960-V2017 HydrophobicContact SD-CG2 3.56Å; M1960-V2017 VanDerWaalsContact SD-CG2 3.56Å; A1961-V2017 PolarHBondContact O-N 3.49Å; V1963-V2017 PolarHBondContact N-O 3.31Å; F1964-V2017 HydrophobicContact CE2-CG1 3.95Å; F1964-V2017 HydrophobicContact CZ-CG1 4.22Å; F1975-V2017 HydrophobicContact CD1-CG1 4.44Å; F1975-V2017 HydrophobicContact CD1-CG2 3.82Å; F1975-V2017 HydrophobicContact CD2-CG1 3.68Å; F1975-V2017 HydrophobicContact CE1-CG2 3.97Å; F1975-V2017 HydrophobicContact CE2-CG1 3.76Å; F1975-V2017 HydrophobicContact CG-CG1 4.05Å; F1975-V2017 HydrophobicContact CG-CG2 4.11Å; F1975-V2017 HydrophobicContact CZ-CG1 4.18Å; F1975-V2017 HydrophobicContact CZ-CG2 4.39Å; V2017-I2038 HydrophobicContact CG2-CB 4.29Å; V2017-I2038 HydrophobicContact CG2-CD1 4.46Å; V2017-A2040 HydrophobicContact CG1-CB 3.6Å
2018L94Very high90.2Very high0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-116.9130.2-173.8177.862.1000111.4V1963 Y1965 L2002 I2006 V2026 A2029 L2037 I2038 A2040V1963-L2018 HydrophobicContact CB-CD1 3.88Å; V1963-L2018 HydrophobicContact CG1-CD1 3.61Å; V1963-L2018 CarbonylContact O-C 3.57Å; V1963-L2018 VanDerWaalsContact O-CA 3.31Å; V1963-L2018 WeakPolarHBondContact O-CA 3.44Å; Y1965-L2018 HydrophobicContact CD2-CD1 3.94Å; Y1965-L2018 HydrophobicContact CE2-CD1 3.89Å; L2002-L2018 HydrophobicContact CD1-CD1 4.38Å; L2002-L2018 HydrophobicContact CD1-CD2 4.37Å; I2006-L2018 HydrophobicContact CD1-CD1 4.17Å; I2006-L2018 HydrophobicContact CD1-CD2 3.94Å; I2006-L2018 HydrophobicContact CG1-CD2 4.5Å; L2018-V2026 HydrophobicContact CB-CG2 4.39Å; L2018-V2026 HydrophobicContact CD2-CB 4.47Å; L2018-V2026 HydrophobicContact CD2-CG2 3.93Å; L2018-V2026 HydrophobicContact CG-CG2 3.96Å; L2018-A2029 HydrophobicContact CD2-CB 3.43Å; L2018-A2029 VanDerWaalsContact CD2-CB 3.43Å; L2018-L2037 HydrophobicContact CB-CD2 4.06Å; L2018-L2037 HydrophobicContact CB-CG 4.43Å; L2018-L2037 HydrophobicContact CD2-CD1 4.29Å; L2018-L2037 HydrophobicContact CD2-CD2 4.43Å; L2018-I2038 PolarHBondContact N-O 3.33Å; L2018-A2040 WeakPolarHBondContact O-CB 3.41Å; L2018-A2040 PolarHBondContact O-N 2.88Å
2019R92.7Very high90.3Very high22 Ų2235.2 Ų35.28%0.08320%0.2CC..EExtended strand (participates in β ladder)trans-123.1129.2166.7-170.8176.3179.1152-21.2110.6V1963 F1964 Y1965 E1966 S1968 T1971 A2040 G2041V1963-R2019 PolarHBondContact O-N 3.16Å; F1964-R2019 HydrophobicContact CD1-CB 3.62Å; F1964-R2019 HydrophobicContact CD1-CG 4.24Å; F1964-R2019 HydrophobicContact CE1-CB 3.81Å; F1964-R2019 HydrophobicContact CE1-CG 4.38Å; F1964-R2019 HydrophobicContact CG-CB 4.01Å; F1964-R2019 HydrophobicContact CZ-CB 4.37Å; Y1965-R2019 PolarHBondContact N-O 3.02Å; E1966-R2019 HydrophobicContact CB-CG 4.26Å; E1966-R2019 WeakPolarHBondContact O-CD 3.18Å; E1966-R2019 IonicContact OE2-NE 3.84Å; E1966-R2019 PolarHBondContact OE2-NE 3.23Å; S1968-R2019 VanDerWaalsContact CB-CZ 3.44Å; S1968-R2019 PolarHBondContact OG-NH1 3.4Å; T1971-R2019 PolarHBondContact OG1-NH1 3.38Å; R2019-A2040 HydrophobicContact CB-CB 4.1Å; R2019-A2040 WeakPolarHBondContact CD-O 3.45Å; R2019-A2040 WeakPolarHBondContact CG-O 3.31Å; R2019-G2041 WeakPolarHBondContact CA-O 3.44Å; R2019-G2041 VanDerWaalsContact CG-O 3.32Å; R2019-G2041 WeakPolarHBondContact CG-O 3.22Å
2020H91.9Very high90.4Very high25 Ų2534.8 Ų34.812%0.11620%0.199CC..EExtended strand (participates in β ladder)trans-137.5144.7-173.3-164.7-87.6000112.1Y1965 S2022 A2025 G2041 D2042 G2043Y1965-H2020 AromaticContact CD2-CD2 3.58Å; Y1965-H2020 AromaticContact CG-CD2 3.91Å; H2020-S2022 PolarHBondContact CE1-OG 2.72Å; H2020-S2022 VanDerWaalsContact CE1-OG 3.31Å; H2020-S2022 WeakPolarHBondContact ND1-CB 3.29Å; H2020-S2022 PolarHBondContact ND1-N 2.61Å; H2020-S2022 VanDerWaalsContact ND1-N 3.12Å; H2020-S2022 PolarHBondContact O-N 3.3Å; H2020-A2025 HydrophobicContact CB-CB 3.89Å; H2020-A2025 WeakPolarHBondContact ND1-CB 3.42Å; H2020-G2041 PolarHBondContact N-O 3.17Å; H2020-D2042 CarbonylContact O-C 3.45Å; H2020-D2042 VanDerWaalsContact O-CA 3.23Å; H2020-D2042 WeakPolarHBondContact O-CA 3.34Å; H2020-G2043 PolarHBondContact O-N 2.94Å
2021P85.6Confident90.4Very high55 Ų5539.7 Ų39.736%0.35723%0.228SC..SBendtrans-73.7-21.4-178.627.3-36.3000114.9G2043P2021-G2043 WeakPolarHBondContact O-CA 3.43Å
2022S87.3Confident90.5Very high50 Ų5039 Ų3935%0.3521%0.214SC..SBendtrans-92.2129.5179.4-46.10000112.4H2020 A2025H2020-S2022 PolarHBondContact CE1-OG 2.72Å; H2020-S2022 VanDerWaalsContact CE1-OG 3.31Å; H2020-S2022 WeakPolarHBondContact ND1-CB 3.29Å; H2020-S2022 PolarHBondContact ND1-N 2.61Å; H2020-S2022 VanDerWaalsContact ND1-N 3.12Å; H2020-S2022 PolarHBondContact O-N 3.3Å; S2022-A2025 WeakPolarHBondContact O-CB 3.31Å; S2022-A2025 PolarHBondContact O-N 3.27Å
2023P85.1Confident90.5Very high73 Ų7332.2 Ų32.247%0.47419%0.189SC..THydrogen-bonded Turntrans-56.9143.7171.7-22.733000113A2025 D2042 V2044P2023-A2025 PolarHBondContact O-N 3.05Å; P2023-A2025 VanDerWaalsContact O-N 3.14Å; P2023-D2042 WeakPolarHBondContact CA-O 3.19Å; P2023-V2044 HydrophobicContact CG-CG2 3.77Å
2024G86.4Confident90.2Very high31 Ų3143.8 Ų43.832%0.3223%0.231SC..THydrogen-bonded Turntrans72.1-4.4-179.300000114.8V2026 A2027 R2028 D2042G2024-V2026 VanDerWaalsContact C-N 3.27Å; G2024-V2026 PolarHBondContact O-N 2.96Å; G2024-A2027 PolarHBondContact O-N 3.43Å; G2024-R2028 WeakPolarHBondContact O-CG 3.37Å; G2024-R2028 PolarHBondContact O-N 2.89Å; G2024-D2042 WeakPolarHBondContact CA-OD2 3.42Å; G2024-D2042 PolarHBondContact N-OD2 2.61Å
2025A88.6Confident90.1Very high0 Ų045.3 Ų45.30%024%0.236CC..Hα-helixtrans-63.5-33.4-178.800000112.8L2002 H2020 S2022 P2023 R2028 A2029L2002-A2025 HydrophobicContact CD2-CB 3.9Å; H2020-A2025 HydrophobicContact CB-CB 3.89Å; H2020-A2025 WeakPolarHBondContact ND1-CB 3.42Å; S2022-A2025 WeakPolarHBondContact O-CB 3.31Å; S2022-A2025 PolarHBondContact O-N 3.27Å; P2023-A2025 PolarHBondContact O-N 3.05Å; P2023-A2025 VanDerWaalsContact O-N 3.14Å; A2025-R2028 PolarHBondContact O-N 3.01Å; A2025-A2029 WeakPolarHBondContact O-CB 3.21Å; A2025-A2029 PolarHBondContact O-N 3.2Å
2026V91.2Very high90Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-69.6-41.4178.41720000111.5L1921 L2018 G2024 R2028 A2029 A2030 L2037 N2039 D2042L1921-V2026 HydrophobicContact CD2-CG1 3.88Å; L2018-V2026 HydrophobicContact CB-CG2 4.39Å; L2018-V2026 HydrophobicContact CD2-CB 4.47Å; L2018-V2026 HydrophobicContact CD2-CG2 3.93Å; L2018-V2026 HydrophobicContact CG-CG2 3.96Å; G2024-V2026 VanDerWaalsContact C-N 3.27Å; G2024-V2026 PolarHBondContact O-N 2.96Å; V2026-R2028 VanDerWaalsContact C-N 3.35Å; V2026-A2029 PolarHBondContact O-N 3.23Å; V2026-A2030 WeakPolarHBondContact O-CB 3.33Å; V2026-A2030 PolarHBondContact O-N 3.45Å; V2026-L2037 HydrophobicContact CG1-CD2 3.4Å; V2026-L2037 VanDerWaalsContact CG1-CD2 3.4Å; V2026-N2039 HydrophobicContact CB-CB 4.36Å; V2026-N2039 HydrophobicContact CG1-CB 3.57Å; V2026-D2042 HydrophobicContact CB-CB 4.3Å; V2026-D2042 HydrophobicContact CG2-CB 3.82Å
2027A89Confident90Very high49 Ų4946 Ų4641%0.40524%0.241SC..Hα-helixtrans-63.3-41.3173.300000111.6G2024 A2030 T2031G2024-A2027 PolarHBondContact O-N 3.43Å; A2027-A2030 WeakPolarHBondContact O-CB 3.42Å; A2027-A2030 PolarHBondContact O-N 2.63Å; A2027-T2031 PolarHBondContact O-N 3.48Å
2028R90Very high90Very high118 Ų11846 Ų4645%0.44524%0.241SC..Hα-helixtrans-59.9-49.6172.2-70.1-171.1-65.4140.8-4.6111.5E2003 G2024 A2025 V2026 A2030 T2031 F2032E2003-R2028 IonicContact OE1-NH1 3.65Å; G2024-R2028 WeakPolarHBondContact O-CG 3.37Å; G2024-R2028 PolarHBondContact O-N 2.89Å; A2025-R2028 PolarHBondContact O-N 3.01Å; V2026-R2028 VanDerWaalsContact C-N 3.35Å; R2028-A2030 VanDerWaalsContact C-N 3.28Å; R2028-A2030 PolarHBondContact O-N 2.92Å; R2028-T2031 PolarHBondContact O-N 2.92Å; R2028-T2031 VanDerWaalsContact O-N 3.15Å; R2028-T2031 PolarHBondContact O-OG1 2.86Å; R2028-F2032 VanDerWaalsContact O-CD2 3.28Å; R2028-F2032 WeakPolarHBondContact O-CD2 3.33Å
2029A90.3Very high90Very high0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-57.5-38.5177.500000113L2002 I2006 L2018 A2025 V2026 T2031 F2032 S2033 L2037L2002-A2029 HydrophobicContact CD2-CB 4.26Å; L2002-A2029 HydrophobicContact CG-CB 4.35Å; I2006-A2029 HydrophobicContact CD1-CB 4.4Å; I2006-A2029 HydrophobicContact CG1-CB 3.9Å; I2006-A2029 HydrophobicContact CG2-CB 4.33Å; L2018-A2029 HydrophobicContact CD2-CB 3.43Å; L2018-A2029 VanDerWaalsContact CD2-CB 3.43Å; A2025-A2029 WeakPolarHBondContact O-CB 3.21Å; A2025-A2029 PolarHBondContact O-N 3.2Å; V2026-A2029 PolarHBondContact O-N 3.23Å; A2029-T2031 VanDerWaalsContact C-N 3.27Å; A2029-T2031 PolarHBondContact O-N 3.42Å; A2029-F2032 PolarHBondContact O-N 2.85Å; A2029-S2033 PolarHBondContact O-N 2.96Å; A2029-L2037 HydrophobicContact CB-CD1 3.98Å
2030A90.3Very high90Very high7 Ų745.1 Ų45.16%0.05824%0.237CC..Hα-helixtrans-60.4-34.9178.700000112.7H1919 L1921 V2026 A2027 R2028 F2032 S2033H1919-A2030 HydrophobicContact CB-CB 4.44Å; L1921-A2030 HydrophobicContact CD1-CB 3.87Å; L1921-A2030 HydrophobicContact CD2-CB 3.64Å; L1921-A2030 HydrophobicContact CG-CB 4.39Å; V2026-A2030 WeakPolarHBondContact O-CB 3.33Å; V2026-A2030 PolarHBondContact O-N 3.45Å; A2027-A2030 WeakPolarHBondContact O-CB 3.42Å; A2027-A2030 PolarHBondContact O-N 2.63Å; R2028-A2030 VanDerWaalsContact C-N 3.28Å; R2028-A2030 PolarHBondContact O-N 2.92Å; A2030-F2032 PolarHBondContact O-N 3.23Å; A2030-F2032 VanDerWaalsContact O-N 3.13Å; A2030-S2033 PolarHBondContact O-N 2.93Å
2031T89.4Confident90Very high108 Ų10843.9 Ų43.966%0.66323%0.232SC*.THydrogen-bonded Turntrans-63.7-18.3176.767.20000113.8A2027 R2028 A2029A2027-T2031 PolarHBondContact O-N 3.48Å; R2028-T2031 PolarHBondContact O-N 2.92Å; R2028-T2031 VanDerWaalsContact O-N 3.15Å; R2028-T2031 PolarHBondContact O-OG1 2.86Å; A2029-T2031 VanDerWaalsContact C-N 3.27Å; A2029-T2031 PolarHBondContact O-N 3.42Å
2032F88.9Confident90.1Very high79 Ų7941.8 Ų41.835%0.34622%0.218SC..THydrogen-bonded Turntrans-108.5-2.7179.5-60.9-79000113.7E2003 K2007 R2028 A2029 A2030E2003-F2032 HydrophobicContact CB-CD1 4.36Å; E2003-F2032 HydrophobicContact CB-CD2 3.8Å; E2003-F2032 HydrophobicContact CB-CE1 4.49Å; E2003-F2032 HydrophobicContact CB-CE2 3.99Å; E2003-F2032 HydrophobicContact CB-CG 4Å; E2003-F2032 HydrophobicContact CB-CZ 4.31Å; E2003-F2032 HydrophobicContact CG-CD2 3.4Å; E2003-F2032 HydrophobicContact CG-CE1 4.43Å; E2003-F2032 HydrophobicContact CG-CE2 3.22Å; E2003-F2032 HydrophobicContact CG-CG 4.11Å; E2003-F2032 HydrophobicContact CG-CZ 3.78Å; K2007-F2032 HydrophobicContact CG-CB 4.19Å; K2007-F2032 WeakPolarHBondContact CG-O 3.31Å; R2028-F2032 VanDerWaalsContact O-CD2 3.28Å; R2028-F2032 WeakPolarHBondContact O-CD2 3.33Å; A2029-F2032 PolarHBondContact O-N 2.85Å; A2030-F2032 PolarHBondContact O-N 3.23Å; A2030-F2032 VanDerWaalsContact O-N 3.13Å
2033S90.3Very high89.9Confident11 Ų1139.5 Ų39.58%0.07720%0.202CC..  trans-97126.3178.3-172.80000111.2S2010 A2029 A2030 K2035S2010-S2033 WeakPolarHBondContact CB-OG 3.18Å; S2010-S2033 WeakPolarHBondContact OG-CB 3.29Å; S2010-S2033 PolarHBondContact OG-OG 3.12Å; A2029-S2033 PolarHBondContact O-N 2.96Å; A2030-S2033 PolarHBondContact O-N 2.93Å; S2033-K2035 PolarHBondContact O-N 3.37Å; S2033-K2035 PolarHBondContact OG-N 2.84Å; S2033-K2035 PolarHBondContact OG-O 3.41Å
2034R85.6Confident89.7Confident247 Ų24738.4 Ų38.493%0.93219%0.193SC*.SBendtrans-81.5-1.6170.3-65.9-176.4180178.10.3113.1
2035K91.7Very high89.6Confident77 Ų7737.9 Ų37.934%0.33519%0.188SC..SBendtrans-120153.8-175.8-61.9-65.5-172.2172.70109.3H1919 S2010 A2013 S2033 L2037H1919-K2035 PolarHBondContact CE1-O 3.07Å; H1919-K2035 PolarHBondContact ND1-O 3.22Å; S2010-K2035 WeakPolarHBondContact O-CG 3.45Å; A2013-K2035 WeakPolarHBondContact O-CG 3.19Å; S2033-K2035 PolarHBondContact O-N 3.37Å; S2033-K2035 PolarHBondContact OG-N 2.84Å; S2033-K2035 PolarHBondContact OG-O 3.41Å; K2035-L2037 PolarHBondContact O-N 3.23Å
2036P93Very high89.5Confident15 Ų1538.9 Ų38.910%0.09719%0.193CC..  trans-50.2134.5173.6-2935.9000112D2014 V2015 V2016 V2216D2014-P2036 WeakPolarHBondContact O-CD 3.39Å; V2015-P2036 WeakPolarHBondContact CA-O 3.2Å; V2015-P2036 HydrophobicContact CG2-CB 4.23Å; V2016-P2036 PolarHBondContact N-O 3.06Å; P2036-V2216 HydrophobicContact CB-CG1 3.38Å; P2036-V2216 HydrophobicContact CG-CG1 4.02Å
2037L93.9Very high89.6Confident0 Ų039 Ų390%019%0.194CC..EExtended strand (participates in β ladder)trans-123.6128.3-179.7-167.5153.5000108.4H1919 I1920 L1921 I2006 V2016 L2018 V2026 A2029 K2035H1919-L2037 CarbonylContact C-O 3.44Å; H1919-L2037 VanDerWaalsContact CA-O 3.27Å; H1919-L2037 WeakPolarHBondContact CA-O 2.92Å; H1919-L2037 HydrophobicContact CB-CB 4.47Å; H1919-L2037 WeakPolarHBondContact CB-O 3.32Å; H1919-L2037 WeakPolarHBondContact ND1-CB 3.37Å; H1919-L2037 PolarHBondContact ND1-N 3.35Å; I1920-L2037 PolarHBondContact N-O 3.46Å; L1921-L2037 HydrophobicContact CD2-CD2 4.22Å; I2006-L2037 HydrophobicContact CD1-CD1 4.41Å; I2006-L2037 HydrophobicContact CG2-CD1 4.12Å; V2016-L2037 HydrophobicContact CB-CD1 4.47Å; V2016-L2037 HydrophobicContact CB-CG 4.25Å; V2016-L2037 HydrophobicContact CG1-CD1 4.43Å; V2016-L2037 HydrophobicContact CG1-CG 4.47Å; V2016-L2037 CarbonylContact O-C 3.47Å; V2016-L2037 VanDerWaalsContact O-CA 3.24Å; V2016-L2037 WeakPolarHBondContact O-CA 3.42Å; L2018-L2037 HydrophobicContact CB-CD2 4.06Å; L2018-L2037 HydrophobicContact CB-CG 4.43Å; L2018-L2037 HydrophobicContact CD2-CD1 4.29Å; L2018-L2037 HydrophobicContact CD2-CD2 4.43Å; V2026-L2037 HydrophobicContact CG1-CD2 3.4Å; V2026-L2037 VanDerWaalsContact CG1-CD2 3.4Å; A2029-L2037 HydrophobicContact CB-CD1 3.98Å; K2035-L2037 PolarHBondContact O-N 3.23Å
2038I94.8Very high89.8Confident0 Ų036.7 Ų36.70%017%0.174CC..EExtended strand (participates in β ladder)trans-110.4123.6-178-58.7177.7000109.4I1920 F1975 V2015 V2016 V2017 L2018 A2040 T2049 L2213I1920-I2038 HydrophobicContact CB-CB 4.49Å; I1920-I2038 HydrophobicContact CB-CG1 4.28Å; I1920-I2038 HydrophobicContact CB-CG2 4.29Å; I1920-I2038 HydrophobicContact CG1-CG1 4.22Å; F1975-I2038 HydrophobicContact CE1-CD1 4.31Å; F1975-I2038 HydrophobicContact CE1-CG2 4.3Å; F1975-I2038 HydrophobicContact CZ-CG2 3.8Å; V2015-I2038 HydrophobicContact CG2-CD1 3.86Å; V2015-I2038 HydrophobicContact CG2-CG1 4.09Å; V2016-I2038 PolarHBondContact O-N 2.95Å; V2017-I2038 HydrophobicContact CG2-CB 4.29Å; V2017-I2038 HydrophobicContact CG2-CD1 4.46Å; L2018-I2038 PolarHBondContact N-O 3.33Å; I2038-A2040 PolarHBondContact O-N 3.07Å; I2038-T2049 HydrophobicContact CG2-CG2 3.58Å; I2038-L2213 HydrophobicContact CD1-CD2 4.17Å
2039N94.5Very high89.9Confident2 Ų231.1 Ų31.11%0.01115%0.153CC..EExtended strand (participates in β ladder)trans-72.3109.3174.8-171.3-2.8000110.9I1920 L1921 V2026 G2041 D2042 E2046 P2048 T2049I1920-N2039 WeakPolarHBondContact O-CB 3.49Å; I1920-N2039 PolarHBondContact O-N 3.27Å; L1921-N2039 WeakPolarHBondContact O-CB 3.21Å; L1921-N2039 PolarHBondContact O-ND2 3.42Å; V2026-N2039 HydrophobicContact CB-CB 4.36Å; V2026-N2039 HydrophobicContact CG1-CB 3.57Å; N2039-G2041 WeakPolarHBondContact OD1-CA 3.44Å; N2039-G2041 PolarHBondContact OD1-N 3.08Å; N2039-D2042 PolarHBondContact ND2-OD1 3.25Å; N2039-E2046 PolarHBondContact ND2-O 3.21Å; N2039-P2048 HydrophobicContact CB-CG 3.82Å; N2039-T2049 PolarHBondContact O-OG1 3.42Å
2040A92.3Very high90.1Very high0 Ų031.7 Ų31.70%016%0.156CC..EExtended strand (participates in β ladder)trans-98.815.1173.600000113F1964 T1971 F1975 V2017 L2018 R2019 I2038 H2047F1964-A2040 HydrophobicContact CE1-CB 4.38Å; F1964-A2040 HydrophobicContact CZ-CB 3.88Å; T1971-A2040 HydrophobicContact CG2-CB 3.83Å; F1975-A2040 HydrophobicContact CE2-CB 4.37Å; V2017-A2040 HydrophobicContact CG1-CB 3.6Å; L2018-A2040 WeakPolarHBondContact O-CB 3.41Å; L2018-A2040 PolarHBondContact O-N 2.88Å; R2019-A2040 HydrophobicContact CB-CB 4.1Å; R2019-A2040 WeakPolarHBondContact CD-O 3.45Å; R2019-A2040 WeakPolarHBondContact CG-O 3.31Å; I2038-A2040 PolarHBondContact O-N 3.07Å; A2040-H2047 PolarHBondContact O-CE1 3.16Å; A2040-H2047 PolarHBondContact O-NE2 3.28Å; A2040-H2047 VanDerWaalsContact O-NE2 3.13Å
2041G91.3Very high90.2Very high0 Ų031.3 Ų31.30%015%0.153CC..EExtended strand (participates in β ladder)trans123.1129.3175.900000112.6R2019 H2020 N2039 E2046R2019-G2041 WeakPolarHBondContact CA-O 3.44Å; R2019-G2041 VanDerWaalsContact CG-O 3.32Å; R2019-G2041 WeakPolarHBondContact CG-O 3.22Å; H2020-G2041 PolarHBondContact N-O 3.17Å; N2039-G2041 WeakPolarHBondContact OD1-CA 3.44Å; N2039-G2041 PolarHBondContact OD1-N 3.08Å; G2041-E2046 WeakPolarHBondContact CA-O 3.38Å
2042D88.9Confident90.5Very high11 Ų1126.2 Ų26.26%0.05912%0.121CC..EExtended strand (participates in β ladder)trans-126.690.9174.767-32.4000113.4H2020 P2023 G2024 V2026 N2039 V2044 G2045 E2046H2020-D2042 CarbonylContact O-C 3.45Å; H2020-D2042 VanDerWaalsContact O-CA 3.23Å; H2020-D2042 WeakPolarHBondContact O-CA 3.34Å; P2023-D2042 WeakPolarHBondContact CA-O 3.19Å; G2024-D2042 WeakPolarHBondContact CA-OD2 3.42Å; G2024-D2042 PolarHBondContact N-OD2 2.61Å; V2026-D2042 HydrophobicContact CB-CB 4.3Å; V2026-D2042 HydrophobicContact CG2-CB 3.82Å; N2039-D2042 PolarHBondContact ND2-OD1 3.25Å; D2042-V2044 PolarHBondContact O-N 3.21Å; D2042-G2045 WeakPolarHBondContact O-CA 3.34Å; D2042-G2045 PolarHBondContact O-N 2.79Å; D2042-E2046 PolarHBondContact N-O 2.91Å; D2042-E2046 PolarHBondContact OD1-N 2.67Å
2043G82.7Confident90.7Very high1 Ų122.5 Ų22.51%0.0111%0.105CC..THydrogen-bonded Turntrans58.7-126.7-179.900000113.8H2020 P2021 G2045 R2080H2020-G2043 PolarHBondContact O-N 2.94Å; P2021-G2043 WeakPolarHBondContact O-CA 3.43Å; G2043-G2045 VanDerWaalsContact C-N 3.32Å; G2043-R2080 VanDerWaalsContact O-CD 3.3Å; G2043-R2080 WeakPolarHBondContact O-CD 3.2Å
2044V81.2Confident91Very high50 Ų5022 Ų2230%0.30310%0.101SC..THydrogen-bonded Turntrans-89.96170.8-61.60000113.1P2023 D2042 N2078 H2083P2023-V2044 HydrophobicContact CG-CG2 3.77Å; D2042-V2044 PolarHBondContact O-N 3.21Å; V2044-N2078 HydrophobicContact CG1-CB 4.15Å; V2044-H2083 PolarHBondContact O-CE1 3.38Å; V2044-H2083 PolarHBondContact O-ND1 3.16Å
2045G83Confident91.4Very high20 Ų2010.2 Ų10.221%0.2066%0.057CC..SBendtrans-72-115.4-179.900000112.7D2042 G2043 R2080D2042-G2045 WeakPolarHBondContact O-CA 3.34Å; D2042-G2045 PolarHBondContact O-N 2.79Å; G2043-G2045 VanDerWaalsContact C-N 3.32Å; G2045-R2080 WeakPolarHBondContact O-CB 3.26Å
2046E88.4Confident91.4Very high22 Ų226.5 Ų6.510%0.1034%0.041CC..  trans-120.1153.1-173-67.3-154.6-162.900113.3A1922 V1923 N2039 G2041 D2042 S2084 R2087A1922-E2046 VanDerWaalsContact CA-OE2 3.26Å; A1922-E2046 WeakPolarHBondContact CA-OE2 3.26Å; A1922-E2046 WeakPolarHBondContact CB-OE2 3.29Å; V1923-E2046 WeakPolarHBondContact CG2-OE2 3.4Å; V1923-E2046 PolarHBondContact N-OE2 3.37Å; N2039-E2046 PolarHBondContact ND2-O 3.21Å; G2041-E2046 WeakPolarHBondContact CA-O 3.38Å; D2042-E2046 PolarHBondContact N-O 2.91Å; D2042-E2046 PolarHBondContact OD1-N 2.67Å; E2046-S2084 VanDerWaalsContact CA-OG 3.28Å; E2046-S2084 WeakPolarHBondContact CA-OG 3.1Å; E2046-S2084 WeakPolarHBondContact CB-OG 3.35Å; E2046-R2087 IonicContact OE1-CZ 3.72Å; E2046-R2087 IonicContact OE1-NH1 2.92Å; E2046-R2087 PolarHBondContact OE1-NH1 3.38Å
2047H92.8Very high91.4Very high3 Ų35.8 Ų5.81%0.0144%0.037CC..  trans-13673.7169.9-164-25.6000109.5A2040 T2049 Q2050 A2051 R2080 S2084A2040-H2047 PolarHBondContact O-CE1 3.16Å; A2040-H2047 PolarHBondContact O-NE2 3.28Å; A2040-H2047 VanDerWaalsContact O-NE2 3.13Å; H2047-T2049 VanDerWaalsContact C-N 3.27Å; H2047-T2049 PolarHBondContact CE1-OG1 3.49Å; H2047-T2049 VanDerWaalsContact CE1-OG1 3.23Å; H2047-T2049 PolarHBondContact ND1-OG1 2.79Å; H2047-T2049 PolarHBondContact O-N 3.02Å; H2047-Q2050 HydrophobicContact CB-CB 4.1Å; H2047-Q2050 WeakPolarHBondContact ND1-CB 3.24Å; H2047-Q2050 PolarHBondContact ND1-N 3.24Å; H2047-Q2050 WeakPolarHBondContact O-CB 3.47Å; H2047-Q2050 PolarHBondContact O-N 3.38Å; H2047-A2051 PolarHBondContact O-N 3.1Å; H2047-A2051 VanDerWaalsContact O-N 3.16Å; H2047-R2080 HydrophobicContact CB-CG 4.34Å; H2047-S2084 PolarHBondContact N-OG 2.92Å
2048P92.9Very high91.3Very high0 Ų05.8 Ų5.80%04%0.037CC..Hα-helixtrans-59.8-37.1-169.721.1-32.6000113.3I1920 V1923 F1926 N2039 Q2050 A2051 L2052I1920-P2048 HydrophobicContact CG2-CB 4.46Å; I1920-P2048 HydrophobicContact CG2-CG 4.25Å; V1923-P2048 HydrophobicContact CG1-CB 3.8Å; F1926-P2048 HydrophobicContact CE2-CB 4.19Å; N2039-P2048 HydrophobicContact CB-CG 3.82Å; P2048-Q2050 VanDerWaalsContact C-N 3.29Å; P2048-Q2050 PolarHBondContact O-N 2.83Å; P2048-A2051 PolarHBondContact O-N 2.92Å; P2048-L2052 WeakPolarHBondContact O-CG 3.13Å; P2048-L2052 PolarHBondContact O-N 3.09Å
2049T92.6Very high90.9Very high0 Ų06.3 Ų6.30%04%0.039CC..Hα-helixtrans-69.9-24.1179.658.30000113.8F1975 I2038 N2039 H2047 L2053 L2212F1975-T2049 HydrophobicContact CZ-CG2 4.05Å; I2038-T2049 HydrophobicContact CG2-CG2 3.58Å; N2039-T2049 PolarHBondContact O-OG1 3.42Å; H2047-T2049 VanDerWaalsContact C-N 3.27Å; H2047-T2049 PolarHBondContact CE1-OG1 3.49Å; H2047-T2049 VanDerWaalsContact CE1-OG1 3.23Å; H2047-T2049 PolarHBondContact ND1-OG1 2.79Å; H2047-T2049 PolarHBondContact O-N 3.02Å; T2049-L2053 WeakPolarHBondContact O-CD2 3.18Å; T2049-L2053 PolarHBondContact O-N 3.02Å; T2049-L2212 HydrophobicContact CG2-CD1 3.82Å
2050Q93Very high90.3Very high12 Ų127.6 Ų7.66%0.0564%0.044CC..Hα-helixtrans-77-43170.1-173.969.639.500110.4H2047 P2048 L2052 L2053 D2054 T2081H2047-Q2050 HydrophobicContact CB-CB 4.1Å; H2047-Q2050 WeakPolarHBondContact ND1-CB 3.24Å; H2047-Q2050 PolarHBondContact ND1-N 3.24Å; H2047-Q2050 WeakPolarHBondContact O-CB 3.47Å; H2047-Q2050 PolarHBondContact O-N 3.38Å; P2048-Q2050 VanDerWaalsContact C-N 3.29Å; P2048-Q2050 PolarHBondContact O-N 2.83Å; Q2050-L2052 VanDerWaalsContact C-N 3.29Å; Q2050-L2052 PolarHBondContact O-N 3.2Å; Q2050-L2053 WeakPolarHBondContact O-CG 3.48Å; Q2050-L2053 PolarHBondContact O-N 3.43Å; Q2050-D2054 PolarHBondContact NE2-OD1 3.2Å; Q2050-D2054 WeakPolarHBondContact O-CB 3.24Å; Q2050-D2054 PolarHBondContact O-N 3.16Å; Q2050-T2081 HydrophobicContact CB-CG2 4.33Å; Q2050-T2081 HydrophobicContact CG-CG2 3.75Å
2051A93.2Very high89.9Confident0 Ų09.3 Ų9.30%05%0.052CC..Hα-helixtrans-60.4-39.5175.800000112.4V1923 H2047 P2048 D2054 I2055 L2085 L2088V1923-A2051 HydrophobicContact CG1-CB 3.89Å; H2047-A2051 PolarHBondContact O-N 3.1Å; H2047-A2051 VanDerWaalsContact O-N 3.16Å; P2048-A2051 PolarHBondContact O-N 2.92Å; A2051-D2054 PolarHBondContact O-N 2.93Å; A2051-I2055 WeakPolarHBondContact O-CG1 3.16Å; A2051-I2055 PolarHBondContact O-N 2.9Å; A2051-L2085 HydrophobicContact CB-CB 4.5Å; A2051-L2088 HydrophobicContact CB-CB 4.32Å; A2051-L2088 HydrophobicContact CB-CD2 3.84Å
2052L94.7Very high89.3Confident0 Ų010.3 Ų10.30%06%0.057CC..Hα-helixtrans-60.5-47.5175.2-73.9172.4000112.5F1926 L1931 I1934 F1935 P2048 Q2050 D2054 F2056 L2088 I2208 L2212F1926-L2052 HydrophobicContact CD2-CD1 4.47Å; F1926-L2052 HydrophobicContact CD2-CD2 4.24Å; F1926-L2052 HydrophobicContact CE1-CD1 4.32Å; F1926-L2052 HydrophobicContact CE2-CD1 3.76Å; F1926-L2052 HydrophobicContact CE2-CD2 4.33Å; F1926-L2052 HydrophobicContact CE2-CG 4.21Å; F1926-L2052 HydrophobicContact CG-CD2 4.44Å; F1926-L2052 HydrophobicContact CZ-CD1 3.67Å; L1931-L2052 HydrophobicContact CD2-CD2 3.15Å; I1934-L2052 HydrophobicContact CD1-CD1 4.4Å; I1934-L2052 HydrophobicContact CD1-CD2 4.33Å; F1935-L2052 HydrophobicContact CE1-CB 4.4Å; F1935-L2052 HydrophobicContact CE1-CD2 4.11Å; F1935-L2052 WeakPolarHBondContact CE1-O 3.22Å; F1935-L2052 HydrophobicContact CZ-CD2 4.36Å; P2048-L2052 WeakPolarHBondContact O-CG 3.13Å; P2048-L2052 PolarHBondContact O-N 3.09Å; Q2050-L2052 VanDerWaalsContact C-N 3.29Å; Q2050-L2052 PolarHBondContact O-N 3.2Å; L2052-D2054 VanDerWaalsContact C-N 3.33Å; L2052-F2056 WeakPolarHBondContact O-CB 3.36Å; L2052-F2056 PolarHBondContact O-N 2.88Å; L2052-L2088 HydrophobicContact CD2-CD2 3.99Å; L2052-L2088 HydrophobicContact CG-CD2 4.32Å; L2052-I2208 HydrophobicContact CB-CG2 3.89Å; L2052-L2212 HydrophobicContact CD1-CD1 3.67Å; L2052-L2212 HydrophobicContact CD1-CD2 3.86Å; L2052-L2212 HydrophobicContact CD1-CG 4.21Å
2053L94.9Very high88.4Confident1 Ų110 Ų101%0.0056%0.056CC..Hα-helixtrans-69.8-34.1-179.678.985.2000111.9T2049 Q2050 F2056 T2057 Q2201 I2208T2049-L2053 WeakPolarHBondContact O-CD2 3.18Å; T2049-L2053 PolarHBondContact O-N 3.02Å; Q2050-L2053 WeakPolarHBondContact O-CG 3.48Å; Q2050-L2053 PolarHBondContact O-N 3.43Å; L2053-F2056 PolarHBondContact O-N 3Å; L2053-T2057 PolarHBondContact O-N 2.85Å; L2053-T2057 PolarHBondContact O-OG1 2.82Å; L2053-Q2201 HydrophobicContact CD1-CG 3.63Å; L2053-Q2201 WeakPolarHBondContact CD1-O 3.21Å; L2053-I2208 HydrophobicContact CB-CB 4.05Å; L2053-I2208 HydrophobicContact CB-CG1 4.13Å; L2053-I2208 HydrophobicContact CB-CG2 4.09Å
2054D94.9Very high87.9Confident0 Ų010.5 Ų10.50%06%0.059CC..Hα-helixtrans-63-46.7177.3-64.4-14.7000110.6Q2050 A2051 L2052 F2056 T2057 I2058 L2085 Y2138 Q2201Q2050-D2054 PolarHBondContact NE2-OD1 3.2Å; Q2050-D2054 WeakPolarHBondContact O-CB 3.24Å; Q2050-D2054 PolarHBondContact O-N 3.16Å; A2051-D2054 PolarHBondContact O-N 2.93Å; L2052-D2054 VanDerWaalsContact C-N 3.33Å; D2054-F2056 VanDerWaalsContact C-N 3.35Å; D2054-T2057 PolarHBondContact O-N 3.01Å; D2054-I2058 VanDerWaalsContact O-CG1 3.31Å; D2054-I2058 WeakPolarHBondContact O-CG1 3.21Å; D2054-I2058 PolarHBondContact O-N 3.39Å; D2054-L2085 HydrophobicContact CB-CD1 3.88Å; D2054-L2085 HydrophobicContact CB-CD2 4.23Å; D2054-Y2138 HydrophobicContact CB-CE2 4.13Å; D2054-Y2138 WeakPolarHBondContact OD2-CE2 3.38Å; D2054-Y2138 VanDerWaalsContact OD2-CZ 3.27Å; D2054-Y2138 PolarHBondContact OD2-OH 2.72Å; D2054-Q2201 PolarHBondContact OD1-NE2 3.48Å
2055I94.3Very high88Confident0 Ų08.3 Ų8.30%05%0.046CC..Hα-helixtrans-66-38.2175.7-64.4-177.6000111.2F1935 A2051 T2057 I2058 R2059 V2065 L2085 L2088 L2089 Y2092F1935-I2055 HydrophobicContact CE2-CB 4.23Å; F1935-I2055 HydrophobicContact CE2-CG2 3.5Å; F1935-I2055 HydrophobicContact CZ-CB 3.84Å; F1935-I2055 HydrophobicContact CZ-CG2 3.64Å; A2051-I2055 WeakPolarHBondContact O-CG1 3.16Å; A2051-I2055 PolarHBondContact O-N 2.9Å; I2055-T2057 VanDerWaalsContact C-N 3.34Å; I2055-I2058 PolarHBondContact O-N 3.09Å; I2055-R2059 VanDerWaalsContact O-CB 3.3Å; I2055-R2059 WeakPolarHBondContact O-CB 3.33Å; I2055-R2059 PolarHBondContact O-N 3.25Å; I2055-V2065 HydrophobicContact CG2-CG1 4.45Å; I2055-V2065 HydrophobicContact CG2-CG2 3.8Å; I2055-L2085 HydrophobicContact CD1-CD1 4.35Å; I2055-L2085 HydrophobicContact CG1-CD1 3.72Å; I2055-L2088 HydrophobicContact CD1-CB 3.91Å; I2055-L2088 HydrophobicContact CD1-CD2 3.52Å; I2055-L2088 HydrophobicContact CD1-CG 3.5Å; I2055-L2088 VanDerWaalsContact CD1-CG 3.5Å; I2055-L2088 HydrophobicContact CG1-CD2 4.49Å; I2055-L2089 HydrophobicContact CD1-CD2 4.07Å; I2055-L2089 HydrophobicContact CD1-CG 4.33Å; I2055-L2089 HydrophobicContact CG1-CD2 4Å; I2055-L2089 HydrophobicContact CG1-CG 4.47Å; I2055-Y2092 HydrophobicContact CD1-CD2 4.46Å; I2055-Y2092 HydrophobicContact CD1-CE2 4.04Å; I2055-Y2092 HydrophobicContact CG2-CE2 3.78Å
2056F93.2Very high87.9Confident0 Ų010.5 Ų10.50%05%0.053CC..Hα-helixtrans-63.1-40.2174.4-179.6-110.3000111.8F1935 A1938 Q1939 L2052 L2053 D2054 R2059 E2060 Y2204 I2208F1935-F2056 HydrophobicContact CB-CD2 3.78Å; F1935-F2056 HydrophobicContact CB-CE2 4.26Å; F1935-F2056 HydrophobicContact CD1-CB 3.86Å; F1935-F2056 AromaticContact CD1-CD2 3.92Å; F1935-F2056 HydrophobicContact CD1-CD2 3.92Å; F1935-F2056 HydrophobicContact CD1-CG 4.26Å; F1935-F2056 HydrophobicContact CE1-CB 3.88Å; F1935-F2056 HydrophobicContact CG-CB 4.38Å; F1935-F2056 AromaticContact CG-CD2 3.88Å; F1935-F2056 HydrophobicContact CG-CD2 3.88Å; F1935-F2056 HydrophobicContact CZ-CB 4.42Å; F1935-F2056 WeakPolarHBondContact O-CE2 3.46Å; A1938-F2056 HydrophobicContact CB-CD2 4.46Å; A1938-F2056 HydrophobicContact CB-CE1 4.34Å; A1938-F2056 HydrophobicContact CB-CE2 3.99Å; A1938-F2056 HydrophobicContact CB-CZ 3.93Å; Q1939-F2056 HydrophobicContact CB-CE2 4.3Å; Q1939-F2056 HydrophobicContact CB-CZ 4.4Å; L2052-F2056 WeakPolarHBondContact O-CB 3.36Å; L2052-F2056 PolarHBondContact O-N 2.88Å; L2053-F2056 PolarHBondContact O-N 3Å; D2054-F2056 VanDerWaalsContact C-N 3.35Å; F2056-R2059 PolarHBondContact O-N 2.73Å; F2056-E2060 HydrophobicContact CD1-CG 4.27Å; F2056-E2060 HydrophobicContact CD2-CG 4.33Å; F2056-E2060 HydrophobicContact CE1-CG 3.88Å; F2056-E2060 HydrophobicContact CE2-CG 3.95Å; F2056-E2060 HydrophobicContact CG-CG 4.48Å; F2056-E2060 HydrophobicContact CZ-CG 3.7Å; F2056-E2060 WeakPolarHBondContact O-CB 3.48Å; F2056-E2060 WeakPolarHBondContact O-CG 3.44Å; F2056-E2060 PolarHBondContact O-N 2.78Å; F2056-Y2204 HydrophobicContact CD1-CD2 4.43Å; F2056-Y2204 HydrophobicContact CD1-CG 4.31Å; F2056-Y2204 HydrophobicContact CE1-CD2 4.47Å; F2056-Y2204 HydrophobicContact CE1-CG 4.18Å; F2056-I2208 HydrophobicContact CB-CD1 3.49Å; F2056-I2208 VanDerWaalsContact CB-CD1 3.49Å; F2056-I2208 HydrophobicContact CB-CG1 3.72Å; F2056-I2208 HydrophobicContact CD1-CD1 3.89Å; F2056-I2208 HydrophobicContact CD1-CG1 3.56Å; F2056-I2208 HydrophobicContact CD2-CD1 3.9Å; F2056-I2208 HydrophobicContact CD2-CG1 4.49Å; F2056-I2208 HydrophobicContact CE1-CG1 4.3Å; F2056-I2208 HydrophobicContact CG-CD1 3.49Å; F2056-I2208 VanDerWaalsContact CG-CD1 3.49Å; F2056-I2208 HydrophobicContact CG-CG1 3.68Å
2057T92.8Very high87.6Confident0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-61.5-48.5172.6-53.60000111.5L2053 D2054 I2055 R2059 E2060 E2061 L2177 A2197 Q2201 Y2204L2053-T2057 PolarHBondContact O-N 2.85Å; L2053-T2057 PolarHBondContact O-OG1 2.82Å; D2054-T2057 PolarHBondContact O-N 3.01Å; I2055-T2057 VanDerWaalsContact C-N 3.34Å; T2057-R2059 VanDerWaalsContact C-N 3.26Å; T2057-R2059 PolarHBondContact O-N 3.29Å; T2057-E2060 PolarHBondContact O-N 3.29Å; T2057-E2060 VanDerWaalsContact O-N 3.13Å; T2057-E2061 HydrophobicContact CG2-CG 4.11Å; T2057-E2061 WeakPolarHBondContact O-CB 3.34Å; T2057-E2061 VanDerWaalsContact O-CG 3.22Å; T2057-E2061 WeakPolarHBondContact O-CG 3.4Å; T2057-E2061 PolarHBondContact O-N 2.88Å; T2057-L2177 HydrophobicContact CG2-CD2 3.63Å; T2057-A2197 HydrophobicContact CG2-CB 4.49Å; T2057-Q2201 HydrophobicContact CG2-CB 4.03Å; T2057-Q2201 WeakPolarHBondContact OG1-CA 3.4Å; T2057-Y2204 HydrophobicContact CG2-CD2 3.9Å; T2057-Y2204 HydrophobicContact CG2-CE2 4.17Å
2058I91.2Very high87.4Confident0 Ų011.3 Ų11.30%07%0.065CC..Hα-helixtrans-55.6-46175.8-65167.4000110.3D2054 I2055 E2060 E2061 F2062 V2065 L2068 I2070 V2136 I2175 L2177D2054-I2058 VanDerWaalsContact O-CG1 3.31Å; D2054-I2058 WeakPolarHBondContact O-CG1 3.21Å; D2054-I2058 PolarHBondContact O-N 3.39Å; I2055-I2058 PolarHBondContact O-N 3.09Å; I2058-E2060 PolarHBondContact O-N 3.38Å; I2058-E2061 PolarHBondContact O-N 2.54Å; I2058-F2062 HydrophobicContact CG2-CD2 4.13Å; I2058-F2062 WeakPolarHBondContact O-CB 3.46Å; I2058-F2062 PolarHBondContact O-N 3.33Å; I2058-V2065 HydrophobicContact CG2-CG1 4.4Å; I2058-V2065 HydrophobicContact CG2-CG2 4.18Å; I2058-L2068 HydrophobicContact CG2-CD1 3.38Å; I2058-I2070 HydrophobicContact CD1-CD1 4.11Å; I2058-V2136 HydrophobicContact CD1-CG1 4.06Å; I2058-V2136 HydrophobicContact CD1-CG2 4.23Å; I2058-V2136 HydrophobicContact CG1-CG1 4.05Å; I2058-V2136 HydrophobicContact CG1-CG2 3.99Å; I2058-V2136 HydrophobicContact CG2-CG2 4.03Å; I2058-I2175 HydrophobicContact CG1-CD1 4.39Å; I2058-L2177 HydrophobicContact CD1-CD1 4.21Å; I2058-L2177 HydrophobicContact CG1-CD1 3.73Å
2059R85.2Confident87.4Confident11 Ų1112 Ų124%0.0427%0.069CC..Hα-helixtrans-62.6-39.4178.1178.3-175.8157.1169.3-6.3112.6R1067 N1936 I2055 F2056 T2057 G2063 V2065R1067-R2059 VanDerWaalsContact NH1-CZ 3.27Å; N1936-R2059 PolarHBondContact OD1-NH2 2.63Å; I2055-R2059 VanDerWaalsContact O-CB 3.3Å; I2055-R2059 WeakPolarHBondContact O-CB 3.33Å; I2055-R2059 PolarHBondContact O-N 3.25Å; F2056-R2059 PolarHBondContact O-N 2.73Å; T2057-R2059 VanDerWaalsContact C-N 3.26Å; T2057-R2059 PolarHBondContact O-N 3.29Å; R2059-G2063 CarbonylContact O-C 3.6Å; R2059-G2063 VanDerWaalsContact O-C 3.28Å; R2059-G2063 WeakPolarHBondContact O-CA 3.25Å; R2059-G2063 PolarHBondContact O-N 2.62Å; R2059-V2065 HydrophobicContact CB-CG2 4.12Å
2060E83.5Confident87.5Confident28 Ų2812 Ų1213%0.1317%0.069CC..Hα-helixtrans-71.6-38.5178.8-74.1-72.2108.700111.8K1064 K1942 F2056 T2057 I2058 Y2204K1064-E2060 PolarHBondContact NZ-O 3.13Å; K1942-E2060 IonicContact NZ-OE2 2.63Å; K1942-E2060 PolarHBondContact NZ-OE2 3.39Å; F2056-E2060 HydrophobicContact CD1-CG 4.27Å; F2056-E2060 HydrophobicContact CD2-CG 4.33Å; F2056-E2060 HydrophobicContact CE1-CG 3.88Å; F2056-E2060 HydrophobicContact CE2-CG 3.95Å; F2056-E2060 HydrophobicContact CG-CG 4.48Å; F2056-E2060 HydrophobicContact CZ-CG 3.7Å; F2056-E2060 WeakPolarHBondContact O-CB 3.48Å; F2056-E2060 WeakPolarHBondContact O-CG 3.44Å; F2056-E2060 PolarHBondContact O-N 2.78Å; T2057-E2060 PolarHBondContact O-N 3.29Å; T2057-E2060 VanDerWaalsContact O-N 3.13Å; I2058-E2060 PolarHBondContact O-N 3.38Å; E2060-Y2204 HydrophobicContact CB-CD2 4.34Å; E2060-Y2204 HydrophobicContact CB-CE2 3.73Å; E2060-Y2204 HydrophobicContact CG-CD2 4.43Å; E2060-Y2204 HydrophobicContact CG-CE2 4.17Å
2061E82.5Confident87.6Confident36 Ų3611.5 Ų11.517%0.1687%0.067CC..Hα-helixtrans-74.8-43.3-179.2-61.9-69.3148.300112.2T2057 I2058 I2175 A2197 R2200T2057-E2061 HydrophobicContact CG2-CG 4.11Å; T2057-E2061 WeakPolarHBondContact O-CB 3.34Å; T2057-E2061 VanDerWaalsContact O-CG 3.22Å; T2057-E2061 WeakPolarHBondContact O-CG 3.4Å; T2057-E2061 PolarHBondContact O-N 2.88Å; I2058-E2061 PolarHBondContact O-N 2.54Å; E2061-I2175 HydrophobicContact CB-CD1 3.85Å; E2061-I2175 HydrophobicContact CB-CG2 3.95Å; E2061-I2175 HydrophobicContact CG-CD1 3.84Å; E2061-I2175 HydrophobicContact CG-CG2 4.14Å; E2061-A2197 HydrophobicContact CG-CB 4.42Å; E2061-R2200 IonicContact OE1-CZ 2.87Å; E2061-R2200 IonicContact OE1-NE 2.76Å; E2061-R2200 PolarHBondContact OE1-NE 3.14Å; E2061-R2200 IonicContact OE1-NH2 2.89Å; E2061-R2200 PolarHBondContact OE1-NH2 3.23Å; E2061-R2200 IonicContact OE2-CZ 3.29Å; E2061-R2200 IonicContact OE2-NE 3.37Å; E2061-R2200 IonicContact OE2-NH2 3.27Å; E2061-R2200 PolarHBondContact OE2-NH2 2.94Å
2062F79.1Confident87.8Confident22 Ų2211.5 Ų11.510%0.0967%0.067CC..Hα-helixtrans-99.5-17.6-177.3-73.2-83.3000114.6I2058 T2064 L2068 D2135 V2136 R2173 I2175I2058-F2062 HydrophobicContact CG2-CD2 4.13Å; I2058-F2062 WeakPolarHBondContact O-CB 3.46Å; I2058-F2062 PolarHBondContact O-N 3.33Å; F2062-T2064 WeakPolarHBondContact CB-O 3.3Å; F2062-T2064 PolarHBondContact O-N 3.43Å; F2062-L2068 HydrophobicContact CB-CD1 4.21Å; F2062-L2068 HydrophobicContact CD1-CD2 3.99Å; F2062-L2068 HydrophobicContact CD2-CD1 3.95Å; F2062-L2068 HydrophobicContact CE1-CD2 4.36Å; F2062-L2068 HydrophobicContact CG-CD1 3.99Å; F2062-L2068 HydrophobicContact CG-CD2 4.2Å; F2062-D2135 HydrophobicContact CE1-CB 4.32Å; F2062-D2135 HydrophobicContact CZ-CB 4.14Å; F2062-D2135 VanDerWaalsContact CZ-O 3.25Å; F2062-D2135 WeakPolarHBondContact CZ-O 3.48Å; F2062-V2136 HydrophobicContact CD2-CG2 4.3Å; F2062-V2136 HydrophobicContact CE2-CG2 3.7Å; F2062-V2136 HydrophobicContact CZ-CG2 4.41Å; F2062-R2173 HydrophobicContact CE1-CB 4.34Å; F2062-R2173 WeakPolarHBondContact CE1-O 3.19Å; F2062-R2173 WeakPolarHBondContact CZ-O 3.26Å; F2062-I2175 HydrophobicContact CD2-CD1 4.13Å; F2062-I2175 HydrophobicContact CE2-CB 4.38Å; F2062-I2175 HydrophobicContact CE2-CD1 3.65Å; F2062-I2175 HydrophobicContact CE2-CG1 3.75Å; F2062-I2175 HydrophobicContact CE2-CG2 3.97Å; F2062-I2175 HydrophobicContact CZ-CG1 4.48Å; F2062-I2175 HydrophobicContact CZ-CG2 4.27Å
2063G69.7Low87.7Confident5 Ų511.5 Ų11.55%0.0527%0.067CC..SBendtrans85.1-45.5-166.700000112.5F1063 R2059F1063-G2063 VanDerWaalsContact CD1-C 3.43Å; F1063-G2063 WeakPolarHBondContact CE1-O 3.5Å; R2059-G2063 CarbonylContact O-C 3.6Å; R2059-G2063 VanDerWaalsContact O-C 3.28Å; R2059-G2063 WeakPolarHBondContact O-CA 3.25Å; R2059-G2063 PolarHBondContact O-N 2.62Å
2064T72.6Confident87.5Confident10 Ų1011.6 Ų11.66%0.0617%0.068CC..  trans-118.5162.9-178.7-169.80000112.1F2062 N2066 L2068F2062-T2064 WeakPolarHBondContact CB-O 3.3Å; F2062-T2064 PolarHBondContact O-N 3.43Å; T2064-N2066 PolarHBondContact OG1-N 3.45Å; T2064-L2068 WeakPolarHBondContact O-CD1 3.3Å
2065V82.8Confident87.3Confident4 Ų411.6 Ų11.62%0.0247%0.068CC..SBendtrans-109.3-17.5170-174.50000110.5I2055 I2058 R2059 L2089 Y2092 V2094I2055-V2065 HydrophobicContact CG2-CG1 4.45Å; I2055-V2065 HydrophobicContact CG2-CG2 3.8Å; I2058-V2065 HydrophobicContact CG2-CG1 4.4Å; I2058-V2065 HydrophobicContact CG2-CG2 4.18Å; R2059-V2065 HydrophobicContact CB-CG2 4.12Å; V2065-L2089 HydrophobicContact CG1-CD2 3.77Å; V2065-Y2092 HydrophobicContact CB-CD1 3.7Å; V2065-Y2092 HydrophobicContact CB-CD2 4.29Å; V2065-Y2092 HydrophobicContact CB-CE1 4.03Å; V2065-Y2092 HydrophobicContact CB-CG 3.83Å; V2065-Y2092 HydrophobicContact CG1-CD1 4.07Å; V2065-Y2092 HydrophobicContact CG1-CD2 3.81Å; V2065-Y2092 HydrophobicContact CG1-CE2 4.37Å; V2065-Y2092 HydrophobicContact CG1-CG 3.63Å; V2065-Y2092 HydrophobicContact CG2-CD1 4.44Å; V2065-Y2092 HydrophobicContact CG2-CE1 4.27Å; V2065-V2094 HydrophobicContact CG1-CG1 4.22Å; V2065-V2094 WeakPolarHBondContact O-CG1 3.43Å
2066N81.5Confident87.2Confident67 Ų6711.6 Ų11.636%0.3587%0.068SC..THydrogen-bonded Turntrans-77.6148.4-178.6-62.8-56.3000111T2064 L2068 N2093T2064-N2066 PolarHBondContact OG1-N 3.45Å; N2066-L2068 PolarHBondContact O-N 3.09Å; N2066-N2093 CarbonylContact C-O 3.56Å; N2066-N2093 WeakPolarHBondContact CA-O 3.48Å; N2066-N2093 HydrophobicContact CB-CB 4.49Å; N2066-N2093 PolarHBondContact OD1-N 3.05Å
2067G81.2Confident87Confident29 Ų2916.9 Ų16.930%0.2999%0.091SC..THydrogen-bonded Turntrans79.8-5.1179.100000114.6N2093G2067-N2093 PolarHBondContact N-O 3.21Å
2068L88.8Confident86.7Confident13 Ų1318 Ų187%0.06810%0.097CC..  trans-82.3142.3-175.1-57-176.6000112.2I2058 F2062 T2064 N2066 I2070 V2094 N2095 D2135 V2136I2058-L2068 HydrophobicContact CG2-CD1 3.38Å; F2062-L2068 HydrophobicContact CB-CD1 4.21Å; F2062-L2068 HydrophobicContact CD1-CD2 3.99Å; F2062-L2068 HydrophobicContact CD2-CD1 3.95Å; F2062-L2068 HydrophobicContact CE1-CD2 4.36Å; F2062-L2068 HydrophobicContact CG-CD1 3.99Å; F2062-L2068 HydrophobicContact CG-CD2 4.2Å; T2064-L2068 WeakPolarHBondContact O-CD1 3.3Å; N2066-L2068 PolarHBondContact O-N 3.09Å; L2068-I2070 HydrophobicContact CB-CG1 4.3Å; L2068-V2094 WeakPolarHBondContact O-CA 3.45Å; L2068-V2094 WeakPolarHBondContact O-CB 3.18Å; L2068-N2095 PolarHBondContact O-N 3.1Å; L2068-D2135 HydrophobicContact CB-CB 4.24Å; L2068-D2135 HydrophobicContact CD2-CB 4.03Å; L2068-V2136 HydrophobicContact CD1-CG2 4.22Å
2069T92.9Very high86.5Confident15 Ų1518 Ų189%0.09210%0.097CC..EExtended strand (participates in β ladder)trans-93.9112167.2-57.30000109.1N2095 Q2097 D2133 D2135 V2136T2069-N2095 CarbonylContact C-O 3.59Å; T2069-N2095 WeakPolarHBondContact CA-O 3.5Å; T2069-N2095 HydrophobicContact CG2-CB 4.35Å; T2069-Q2097 VanDerWaalsContact CG2-CD 3.46Å; T2069-Q2097 HydrophobicContact CG2-CG 3.8Å; T2069-D2133 WeakPolarHBondContact CB-O 3.42Å; T2069-D2135 PolarHBondContact N-OD2 2.84Å; T2069-D2135 PolarHBondContact O-N 3.22Å; T2069-V2136 PolarHBondContact O-N 3.33Å
2070I95.5Very high86.6Confident0 Ų018.2 Ų18.20%010%0.098CC..EExtended strand (participates in β ladder)trans-108.1112.8-175.7-55.5175.9000108.5I2058 L2068 M2072 L2089 V2094 N2095 L2096 Q2097 V2136I2058-I2070 HydrophobicContact CD1-CD1 4.11Å; L2068-I2070 HydrophobicContact CB-CG1 4.3Å; I2070-M2072 HydrophobicContact CG2-CE 4.3Å; I2070-L2089 HydrophobicContact CD1-CD1 3.52Å; I2070-L2089 HydrophobicContact CD1-CD2 3.5Å; I2070-L2089 VanDerWaalsContact CD1-CD2 3.5Å; I2070-L2089 HydrophobicContact CD1-CG 4.14Å; I2070-L2089 HydrophobicContact CG2-CD1 4.19Å; I2070-V2094 HydrophobicContact CD1-CB 4.31Å; I2070-V2094 HydrophobicContact CD1-CG1 3.95Å; I2070-N2095 PolarHBondContact N-O 3.2Å; I2070-L2096 HydrophobicContact CB-CD2 3.86Å; I2070-L2096 HydrophobicContact CG2-CD2 4.39Å; I2070-L2096 WeakPolarHBondContact O-CA 3.1Å; I2070-Q2097 PolarHBondContact O-N 3.28Å; I2070-V2136 CarbonylContact C-O 3.47Å; I2070-V2136 WeakPolarHBondContact CA-O 3.34Å; I2070-V2136 HydrophobicContact CB-CB 4.34Å; I2070-V2136 HydrophobicContact CG1-CB 4.01Å; I2070-V2136 HydrophobicContact CG1-CG2 4.17Å; I2070-V2136 HydrophobicContact CG2-CB 4.13Å; I2070-V2136 HydrophobicContact CG2-CG1 4.25Å
2071T95.8Very high86.9Confident0 Ų017.6 Ų17.60%010%0.096CC..EExtended strand (participates in β ladder)trans-102.6113.6-176.5-56.80000109.4V2073 Q2097 V2099 V2130 T2134 V2136 L2137 Y2138T2071-V2073 HydrophobicContact CG2-CG2 3.82Å; T2071-Q2097 CarbonylContact C-O 3.57Å; T2071-Q2097 WeakPolarHBondContact CA-O 3.46Å; T2071-Q2097 HydrophobicContact CG2-CB 4.06Å; T2071-Q2097 PolarHBondContact OG1-OE1 3.42Å; T2071-Q2097 VanDerWaalsContact OG1-OE1 3.06Å; T2071-V2099 HydrophobicContact CG2-CG2 3.99Å; T2071-V2130 HydrophobicContact CG2-CG2 4.03Å; T2071-T2134 WeakPolarHBondContact OG1-CG2 3.28Å; T2071-T2134 PolarHBondContact OG1-OG1 3.48Å; T2071-V2136 PolarHBondContact N-O 3.45Å; T2071-L2137 HydrophobicContact CG2-CD1 4.03Å; T2071-L2137 CarbonylContact O-C 3.52Å; T2071-Y2138 PolarHBondContact O-N 3.41Å
2072M95.7Very high87.3Confident0 Ų015.9 Ų15.90%09%0.088CC..EExtended strand (participates in β ladder)trans-97.8126.9178.5-57.3-177.718000109.9I2070 L2076 V2082 L2085 A2086 L2089 L2096 Q2097 Y2098 V2099 M2106 Y2138I2070-M2072 HydrophobicContact CG2-CE 4.3Å; M2072-L2076 HydrophobicContact CB-CD2 3.76Å; M2072-V2082 HydrophobicContact CB-CG1 4.41Å; M2072-V2082 HydrophobicContact SD-CB 3.89Å; M2072-V2082 HydrophobicContact SD-CG1 4.14Å; M2072-L2085 HydrophobicContact CE-CB 4.29Å; M2072-L2085 HydrophobicContact CE-CD2 3.94Å; M2072-L2085 HydrophobicContact CE-CG 3.86Å; M2072-A2086 HydrophobicContact CE-CB 4.03Å; M2072-A2086 HydrophobicContact SD-CB 4.27Å; M2072-L2089 HydrophobicContact CE-CD1 3.8Å; M2072-L2096 HydrophobicContact CE-CD2 4.34Å; M2072-Q2097 PolarHBondContact N-O 3.03Å; M2072-Y2098 HydrophobicContact CB-CD1 4.22Å; M2072-Y2098 HydrophobicContact SD-CE1 4.07Å; M2072-V2099 PolarHBondContact O-N 2.94Å; M2072-M2106 HydrophobicContact SD-CE 3.94Å; M2072-Y2138 WeakPolarHBondContact CA-O 3.13Å
2073V93.2Very high88Confident0 Ų015.3 Ų15.30%09%0.086CC..EExtended strand (participates in β ladder)trans-130.5136.4-168.9-173.30000111.8T2071 V2099 L2127 L2137 Y2138 M2139 T2140 L2160T2071-V2073 HydrophobicContact CG2-CG2 3.82Å; V2073-V2099 CarbonylContact C-O 3.51Å; V2073-V2099 WeakPolarHBondContact CA-O 3.27Å; V2073-V2099 HydrophobicContact CB-CB 4.41Å; V2073-V2099 HydrophobicContact CG1-CB 4.11Å; V2073-V2099 HydrophobicContact CG1-CG1 4.32Å; V2073-V2099 HydrophobicContact CG2-CB 3.96Å; V2073-V2099 HydrophobicContact CG2-CG2 4.26Å; V2073-L2127 HydrophobicContact CG1-CD1 4.47Å; V2073-L2127 HydrophobicContact CG2-CD1 3.92Å; V2073-L2137 HydrophobicContact CG2-CD1 3.52Å; V2073-Y2138 PolarHBondContact N-O 2.98Å; V2073-M2139 HydrophobicContact CB-SD 3.65Å; V2073-M2139 HydrophobicContact CG1-CE 4.27Å; V2073-M2139 HydrophobicContact CG1-SD 3.8Å; V2073-M2139 HydrophobicContact CG2-SD 4.17Å; V2073-M2139 CarbonylContact O-C 3.55Å; V2073-T2140 PolarHBondContact O-N 3.46Å; V2073-T2140 PolarHBondContact O-OG1 3.35Å; V2073-L2160 HydrophobicContact CG1-CB 4.21Å; V2073-L2160 HydrophobicContact CG1-CD1 4.01Å
2074G90.7Very high89Confident3 Ų315 Ų153%0.0318%0.083CC..SBendtrans115.4-132.4173.800000113.7L2076 V2099 A2100 T2140G2074-L2076 PolarHBondContact O-N 2.91Å; G2074-V2099 PolarHBondContact N-O 3.31Å; G2074-A2100 VanDerWaalsContact O-CB 3.26Å; G2074-A2100 WeakPolarHBondContact O-CB 3.28Å; G2074-T2140 WeakPolarHBondContact CA-OG1 3.47Å
2075D91Very high90.1Very high1 Ų114.6 Ų14.61%0.0058%0.08CC..  trans-8587.3179-175.3-7.1000110.4K2077 N2078 G2079 L2104 T2140 I2142 Q2143D2075-K2077 PolarHBondContact OD1-N 3.48Å; D2075-N2078 WeakPolarHBondContact OD1-CB 3.07Å; D2075-N2078 PolarHBondContact OD1-N 3.48Å; D2075-N2078 PolarHBondContact OD1-ND2 2.9Å; D2075-N2078 VanDerWaalsContact OD1-ND2 3.16Å; D2075-N2078 WeakPolarHBondContact OD2-CB 3.33Å; D2075-N2078 PolarHBondContact OD2-ND2 3.33Å; D2075-G2079 PolarHBondContact O-N 3.5Å; D2075-L2104 HydrophobicContact CB-CD1 4.16Å; D2075-T2140 PolarHBondContact N-OG1 2.92Å; D2075-I2142 HydrophobicContact CB-CD1 4.02Å; D2075-Q2143 PolarHBondContact OD2-N 2.79Å
2076L91.8Very high90.5Very high0 Ų014.4 Ų14.40%08%0.079CC..THydrogen-bonded Turntrans-83.6-17.1-179.3-55.2-178000112.8M2072 G2074 V2082 H2083 Y2098 A2100 L2104 M2106 P2107M2072-L2076 HydrophobicContact CB-CD2 3.76Å; G2074-L2076 PolarHBondContact O-N 2.91Å; L2076-V2082 HydrophobicContact CD2-CB 4.35Å; L2076-V2082 HydrophobicContact CD2-CG1 4.11Å; L2076-V2082 HydrophobicContact CD2-CG2 3.99Å; L2076-H2083 PolarHBondContact O-NE2 3.11Å; L2076-Y2098 HydrophobicContact CD1-CD1 3.94Å; L2076-Y2098 HydrophobicContact CD1-CG 4.21Å; L2076-A2100 HydrophobicContact CB-CB 4.42Å; L2076-A2100 HydrophobicContact CD1-CB 3.86Å; L2076-A2100 HydrophobicContact CG-CB 3.94Å; L2076-L2104 WeakPolarHBondContact CA-O 3.23Å; L2076-L2104 WeakPolarHBondContact CB-O 3.4Å; L2076-L2104 PolarHBondContact N-O 3.05Å; L2076-M2106 HydrophobicContact CB-CB 4.28Å; L2076-M2106 HydrophobicContact CB-CE 4.24Å; L2076-M2106 HydrophobicContact CB-SD 4.46Å; L2076-M2106 HydrophobicContact CD1-CE 4.43Å; L2076-M2106 HydrophobicContact CD2-CE 4.42Å; L2076-P2107 WeakPolarHBondContact O-CD 3.39Å
2077K89.4Confident91.1Very high111 Ų11113.5 Ų13.548%0.4837%0.071SC..THydrogen-bonded Turntrans-75.7-43178.9-177.1178.3176.2-176.10112.4D2075 H2083 S2103 L2104 Q2105D2075-K2077 PolarHBondContact OD1-N 3.48Å; K2077-H2083 PolarHBondContact O-CE1 2.94Å; K2077-H2083 VanDerWaalsContact O-CE1 3.24Å; K2077-H2083 PolarHBondContact O-NE2 3.49Å; K2077-S2103 WeakPolarHBondContact CD-O 3.47Å; K2077-L2104 HydrophobicContact CB-CB 4.48Å; K2077-L2104 PolarHBondContact N-O 3.46Å; K2077-L2104 VanDerWaalsContact N-O 3.1Å; K2077-Q2105 WeakPolarHBondContact CA-O 3.46Å; K2077-Q2105 WeakPolarHBondContact CB-O 3.48Å; K2077-Q2105 PolarHBondContact N-O 3.06Å
2078N87.3Confident91.6Very high23 Ų2312.2 Ų12.212%0.1236%0.057CC..THydrogen-bonded Turntrans-103.1-3.7-176.7-53.1-58.9000112.9V2044 D2075 R2080 Q2143 R2146V2044-N2078 HydrophobicContact CG1-CB 4.15Å; D2075-N2078 WeakPolarHBondContact OD1-CB 3.07Å; D2075-N2078 PolarHBondContact OD1-N 3.48Å; D2075-N2078 PolarHBondContact OD1-ND2 2.9Å; D2075-N2078 VanDerWaalsContact OD1-ND2 3.16Å; D2075-N2078 WeakPolarHBondContact OD2-CB 3.33Å; D2075-N2078 PolarHBondContact OD2-ND2 3.33Å; N2078-R2080 PolarHBondContact O-N 2.91Å; N2078-Q2143 PolarHBondContact O-NE2 3.48Å; N2078-Q2143 PolarHBondContact O-OE1 3.37Å; N2078-R2146 HydrophobicContact CB-CB 4.13Å; N2078-R2146 HydrophobicContact CB-CG 3.99Å
2079G87.2Confident91.8Very high1 Ų111.6 Ų11.61%0.015%0.054CC..  trans-7684.5-177.400000113.6D2075 T2081 V2082 H2083D2075-G2079 PolarHBondContact O-N 3.5Å; G2079-T2081 PolarHBondContact O-N 2.89Å; G2079-V2082 WeakPolarHBondContact O-CG2 3.31Å; G2079-V2082 PolarHBondContact O-N 3.47Å; G2079-H2083 PolarHBondContact O-CD2 3.41Å; G2079-H2083 PolarHBondContact O-N 3.19Å; G2079-H2083 VanDerWaalsContact O-N 3.08Å
2080R86.2Confident91.7Very high14 Ų1411.7 Ų11.75%0.0535%0.054CC..Hα-helixtrans-48.6-31.8172.962.5174.4155-147.5-18.4114.4E1966 G2043 G2045 H2047 N2078 S2084E1966-R2080 IonicContact OE1-CZ 3.79Å; E1966-R2080 IonicContact OE1-NH1 2.75Å; E1966-R2080 IonicContact OE1-NH2 2.67Å; E1966-R2080 PolarHBondContact OE1-NH2 3.18Å; E1966-R2080 IonicContact OE2-CZ 2.79Å; E1966-R2080 VanDerWaalsContact OE2-CZ 3.25Å; E1966-R2080 IonicContact OE2-NH1 3.93Å; E1966-R2080 PolarHBondContact OE2-NH1 3.32Å; E1966-R2080 IonicContact OE2-NH2 3.63Å; E1966-R2080 PolarHBondContact OE2-NH2 3.29Å; G2043-R2080 VanDerWaalsContact O-CD 3.3Å; G2043-R2080 WeakPolarHBondContact O-CD 3.2Å; G2045-R2080 WeakPolarHBondContact O-CB 3.26Å; H2047-R2080 HydrophobicContact CB-CG 4.34Å; N2078-R2080 PolarHBondContact O-N 2.91Å; R2080-S2084 PolarHBondContact O-N 3.46Å; R2080-S2084 VanDerWaalsContact O-N 3.15Å; R2080-S2084 PolarHBondContact O-OG 3.45Å
2081T90.3Very high91.4Very high15 Ų1513 Ų139%0.0926%0.061CC..Hα-helixtrans-70.9-41.2-179.957.90000111.3Q2050 G2079 L2085 P2179Q2050-T2081 HydrophobicContact CB-CG2 4.33Å; Q2050-T2081 HydrophobicContact CG-CG2 3.75Å; G2079-T2081 PolarHBondContact O-N 2.89Å; T2081-L2085 WeakPolarHBondContact O-CB 3.35Å; T2081-L2085 PolarHBondContact O-N 2.83Å; T2081-P2179 HydrophobicContact CG2-CB 4.15Å
2082V91.1Very high91Very high0 Ų014.2 Ų14.20%07%0.066CC..Hα-helixtrans-71.9-32.6176.1-650000111.8M2072 L2076 G2079 L2085 A2086 M2106 Y2138 T2140M2072-V2082 HydrophobicContact CB-CG1 4.41Å; M2072-V2082 HydrophobicContact SD-CB 3.89Å; M2072-V2082 HydrophobicContact SD-CG1 4.14Å; L2076-V2082 HydrophobicContact CD2-CB 4.35Å; L2076-V2082 HydrophobicContact CD2-CG1 4.11Å; L2076-V2082 HydrophobicContact CD2-CG2 3.99Å; G2079-V2082 WeakPolarHBondContact O-CG2 3.31Å; G2079-V2082 PolarHBondContact O-N 3.47Å; V2082-L2085 PolarHBondContact O-N 3.15Å; V2082-A2086 WeakPolarHBondContact O-CB 3.46Å; V2082-A2086 PolarHBondContact O-N 3.23Å; V2082-M2106 HydrophobicContact CB-CE 4.24Å; V2082-M2106 HydrophobicContact CG2-CE 4.16Å; V2082-M2106 HydrophobicContact CG2-SD 4.5Å; V2082-Y2138 HydrophobicContact CG1-CD1 3.67Å; V2082-Y2138 HydrophobicContact CG1-CE1 3.65Å; V2082-T2140 HydrophobicContact CG1-CG2 3.53Å
2083H92.5Very high90.5Very high10 Ų1019.5 Ų19.55%0.0469%0.094CC..Hα-helixtrans-61-53.2174-57.7168.6000111V2044 L2076 K2077 G2079 L2085 R2087 P2107 V2110V2044-H2083 PolarHBondContact O-CE1 3.38Å; V2044-H2083 PolarHBondContact O-ND1 3.16Å; L2076-H2083 PolarHBondContact O-NE2 3.11Å; K2077-H2083 PolarHBondContact O-CE1 2.94Å; K2077-H2083 VanDerWaalsContact O-CE1 3.24Å; K2077-H2083 PolarHBondContact O-NE2 3.49Å; G2079-H2083 PolarHBondContact O-CD2 3.41Å; G2079-H2083 PolarHBondContact O-N 3.19Å; G2079-H2083 VanDerWaalsContact O-N 3.08Å; H2083-L2085 PolarHBondContact O-N 3.16Å; H2083-R2087 WeakPolarHBondContact O-CB 3.36Å; H2083-R2087 VanDerWaalsContact O-CG 3.3Å; H2083-R2087 WeakPolarHBondContact O-CG 2.96Å; H2083-R2087 PolarHBondContact O-N 3Å; H2083-R2087 VanDerWaalsContact O-N 3.12Å; H2083-P2107 WeakPolarHBondContact NE2-CD 3.26Å; H2083-V2110 HydrophobicContact CB-CG2 4.28Å
2084S92.5Very high90.4Very high0 Ų019.6 Ų19.60%010%0.095CC..Hα-helixtrans-64-40.4177.8-70.90000112.4E2046 H2047 R2080 L2088E2046-S2084 VanDerWaalsContact CA-OG 3.28Å; E2046-S2084 WeakPolarHBondContact CA-OG 3.1Å; E2046-S2084 WeakPolarHBondContact CB-OG 3.35Å; H2047-S2084 PolarHBondContact N-OG 2.92Å; R2080-S2084 PolarHBondContact O-N 3.46Å; R2080-S2084 VanDerWaalsContact O-N 3.15Å; R2080-S2084 PolarHBondContact O-OG 3.45Å; S2084-L2088 WeakPolarHBondContact O-CB 3.35Å; S2084-L2088 PolarHBondContact O-N 3.16Å
2085L94.1Very high90.4Very high0 Ų022.1 Ų22.10%011%0.108CC..Hα-helixtrans-65.5-48.6179.1-179.558.8000111.4A2051 D2054 I2055 M2072 T2081 V2082 H2083 R2087 L2088 L2089 Y2138A2051-L2085 HydrophobicContact CB-CB 4.5Å; D2054-L2085 HydrophobicContact CB-CD1 3.88Å; D2054-L2085 HydrophobicContact CB-CD2 4.23Å; I2055-L2085 HydrophobicContact CD1-CD1 4.35Å; I2055-L2085 HydrophobicContact CG1-CD1 3.72Å; M2072-L2085 HydrophobicContact CE-CB 4.29Å; M2072-L2085 HydrophobicContact CE-CD2 3.94Å; M2072-L2085 HydrophobicContact CE-CG 3.86Å; T2081-L2085 WeakPolarHBondContact O-CB 3.35Å; T2081-L2085 PolarHBondContact O-N 2.83Å; V2082-L2085 PolarHBondContact O-N 3.15Å; H2083-L2085 PolarHBondContact O-N 3.16Å; L2085-R2087 VanDerWaalsContact C-N 3.31Å; L2085-R2087 PolarHBondContact O-N 3.18Å; L2085-L2088 PolarHBondContact O-N 3.19Å; L2085-L2089 HydrophobicContact CD1-CD1 3.78Å; L2085-L2089 HydrophobicContact CD1-CD2 4.36Å; L2085-L2089 HydrophobicContact CD1-CG 3.8Å; L2085-L2089 HydrophobicContact CD2-CD1 4.4Å; L2085-L2089 HydrophobicContact CG-CD1 3.66Å; L2085-L2089 HydrophobicContact CG-CG 4.17Å; L2085-L2089 VanDerWaalsContact O-CB 3.28Å; L2085-L2089 WeakPolarHBondContact O-CB 3.35Å; L2085-L2089 WeakPolarHBondContact O-CG 3.35Å; L2085-L2089 PolarHBondContact O-N 3.24Å; L2085-Y2138 HydrophobicContact CD2-CD1 4.41Å; L2085-Y2138 HydrophobicContact CD2-CD2 3.46Å; L2085-Y2138 VanDerWaalsContact CD2-CD2 3.46Å; L2085-Y2138 HydrophobicContact CD2-CE1 4.42Å; L2085-Y2138 HydrophobicContact CD2-CE2 3.48Å; L2085-Y2138 VanDerWaalsContact CD2-CE2 3.48Å; L2085-Y2138 HydrophobicContact CD2-CG 3.94Å
2086A92Very high90.6Very high0 Ų022.1 Ų22.10%011%0.108CC..Hα-helixtrans-58.7-43.1178.800000111.6M2072 V2082 T2090 L2096 V2110 V2114M2072-A2086 HydrophobicContact CE-CB 4.03Å; M2072-A2086 HydrophobicContact SD-CB 4.27Å; V2082-A2086 WeakPolarHBondContact O-CB 3.46Å; V2082-A2086 PolarHBondContact O-N 3.23Å; A2086-T2090 WeakPolarHBondContact O-CG2 3.49Å; A2086-L2096 HydrophobicContact CB-CD1 4.17Å; A2086-V2110 HydrophobicContact CB-CG1 3.93Å; A2086-V2114 HydrophobicContact CB-CG2 4.19Å
2087R93.1Very high90.7Very high48 Ų4822.8 Ų22.818%0.18111%0.111CC..Hα-helixtrans-63.3-47.3175.7-73.1176.3-179.2-143.1-4.2112.1V1923 E2046 H2083 L2085 T2090 E2109 F2113V1923-R2087 HydrophobicContact CG2-CB 3.52Å; E2046-R2087 IonicContact OE1-CZ 3.72Å; E2046-R2087 IonicContact OE1-NH1 2.92Å; E2046-R2087 PolarHBondContact OE1-NH1 3.38Å; H2083-R2087 WeakPolarHBondContact O-CB 3.36Å; H2083-R2087 VanDerWaalsContact O-CG 3.3Å; H2083-R2087 WeakPolarHBondContact O-CG 2.96Å; H2083-R2087 PolarHBondContact O-N 3Å; H2083-R2087 VanDerWaalsContact O-N 3.12Å; L2085-R2087 VanDerWaalsContact C-N 3.31Å; L2085-R2087 PolarHBondContact O-N 3.18Å; R2087-T2090 WeakPolarHBondContact O-CB 3.45Å; R2087-T2090 WeakPolarHBondContact O-CG2 3.45Å; R2087-T2090 PolarHBondContact O-N 2.81Å; R2087-T2090 PolarHBondContact O-OG1 3.08Å; R2087-E2109 IonicContact NH2-OE1 3.32Å; R2087-E2109 PolarHBondContact NH2-OE1 3.36Å; R2087-F2113 HydrophobicContact CB-CD1 4.2Å; R2087-F2113 HydrophobicContact CB-CE1 3.85Å; R2087-F2113 HydrophobicContact CB-CZ 4.48Å; R2087-F2113 HydrophobicContact CG-CD1 3.75Å; R2087-F2113 HydrophobicContact CG-CE1 3.86Å; R2087-F2113 HydrophobicContact CG-CG 4.3Å; R2087-F2113 HydrophobicContact CG-CZ 4.49Å
2088L92.3Very high91Very high3 Ų317.5 Ų17.52%0.0169%0.088CC..Hα-helixtrans-71.4-33.3-177.1-167.863000112.7V1923 F1926 L1931 A2051 L2052 I2055 S2084 L2085 T2090 L2091V1923-L2088 HydrophobicContact CB-CB 4.04Å; V1923-L2088 HydrophobicContact CB-CD1 4.08Å; V1923-L2088 HydrophobicContact CB-CG 4.48Å; V1923-L2088 HydrophobicContact CG1-CB 4.22Å; V1923-L2088 HydrophobicContact CG1-CD2 4.43Å; V1923-L2088 HydrophobicContact CG2-CB 4.37Å; F1926-L2088 HydrophobicContact CB-CD1 3.99Å; F1926-L2088 HydrophobicContact CD2-CD1 4.42Å; L1931-L2088 HydrophobicContact CD1-CD1 4.14Å; L1931-L2088 HydrophobicContact CD1-CG 4.28Å; L1931-L2088 HydrophobicContact CD2-CD1 4.2Å; L1931-L2088 HydrophobicContact CD2-CD2 4.26Å; A2051-L2088 HydrophobicContact CB-CB 4.32Å; A2051-L2088 HydrophobicContact CB-CD2 3.84Å; L2052-L2088 HydrophobicContact CD2-CD2 3.99Å; L2052-L2088 HydrophobicContact CG-CD2 4.32Å; I2055-L2088 HydrophobicContact CD1-CB 3.91Å; I2055-L2088 HydrophobicContact CD1-CD2 3.52Å; I2055-L2088 HydrophobicContact CD1-CG 3.5Å; I2055-L2088 VanDerWaalsContact CD1-CG 3.5Å; I2055-L2088 HydrophobicContact CG1-CD2 4.49Å; S2084-L2088 WeakPolarHBondContact O-CB 3.35Å; S2084-L2088 PolarHBondContact O-N 3.16Å; L2085-L2088 PolarHBondContact O-N 3.19Å; L2088-T2090 PolarHBondContact O-N 3.35Å; L2088-L2091 HydrophobicContact CD1-CD1 3.78Å; L2088-L2091 WeakPolarHBondContact O-CB 3.25Å; L2088-L2091 PolarHBondContact O-N 2.95Å; L2088-L2091 VanDerWaalsContact O-N 3.13Å
2089L93.2Very high91.2Very high0 Ų016.4 Ų16.40%08%0.082CC..Hα-helixtrans-62.5-19.9174.7-78170.8000113.3I2055 V2065 I2070 M2072 L2085 L2091 Y2092 V2094 L2096I2055-L2089 HydrophobicContact CD1-CD2 4.07Å; I2055-L2089 HydrophobicContact CD1-CG 4.33Å; I2055-L2089 HydrophobicContact CG1-CD2 4Å; I2055-L2089 HydrophobicContact CG1-CG 4.47Å; V2065-L2089 HydrophobicContact CG1-CD2 3.77Å; I2070-L2089 HydrophobicContact CD1-CD1 3.52Å; I2070-L2089 HydrophobicContact CD1-CD2 3.5Å; I2070-L2089 VanDerWaalsContact CD1-CD2 3.5Å; I2070-L2089 HydrophobicContact CD1-CG 4.14Å; I2070-L2089 HydrophobicContact CG2-CD1 4.19Å; M2072-L2089 HydrophobicContact CE-CD1 3.8Å; L2085-L2089 HydrophobicContact CD1-CD1 3.78Å; L2085-L2089 HydrophobicContact CD1-CD2 4.36Å; L2085-L2089 HydrophobicContact CD1-CG 3.8Å; L2085-L2089 HydrophobicContact CD2-CD1 4.4Å; L2085-L2089 HydrophobicContact CG-CD1 3.66Å; L2085-L2089 HydrophobicContact CG-CG 4.17Å; L2085-L2089 VanDerWaalsContact O-CB 3.28Å; L2085-L2089 WeakPolarHBondContact O-CB 3.35Å; L2085-L2089 WeakPolarHBondContact O-CG 3.35Å; L2085-L2089 PolarHBondContact O-N 3.24Å; L2089-L2091 PolarHBondContact O-N 2.96Å; L2089-L2091 VanDerWaalsContact O-N 3.13Å; L2089-Y2092 WeakPolarHBondContact O-CA 3.26Å; L2089-Y2092 PolarHBondContact O-N 2.71Å; L2089-Y2092 VanDerWaalsContact O-O 3.11Å; L2089-V2094 HydrophobicContact CB-CG2 4.12Å; L2089-V2094 HydrophobicContact CD2-CG1 4.49Å; L2089-L2096 HydrophobicContact CD1-CD2 3.91Å
2090T91.1Very high91.4Very high16 Ų1616.6 Ų16.610%0.0988%0.083CC..THydrogen-bonded Turntrans-63.9-13.4173.369.40000114.2A2086 R2087 L2088 Y2092 F2113 V2114 R2117 V2119A2086-T2090 WeakPolarHBondContact O-CG2 3.49Å; R2087-T2090 WeakPolarHBondContact O-CB 3.45Å; R2087-T2090 WeakPolarHBondContact O-CG2 3.45Å; R2087-T2090 PolarHBondContact O-N 2.81Å; R2087-T2090 PolarHBondContact O-OG1 3.08Å; L2088-T2090 PolarHBondContact O-N 3.35Å; T2090-Y2092 PolarHBondContact O-N 3.5Å; T2090-F2113 HydrophobicContact CG2-CD1 4.14Å; T2090-F2113 HydrophobicContact CG2-CE1 3.92Å; T2090-V2114 HydrophobicContact CG2-CB 4.41Å; T2090-V2114 HydrophobicContact CG2-CG2 4.06Å; T2090-R2117 HydrophobicContact CG2-CB 3.9Å; T2090-R2117 HydrophobicContact CG2-CG 4.04Å; T2090-V2119 HydrophobicContact CG2-CG2 4.3Å
2091L88.7Confident91.4Very high29 Ų2917.1 Ų17.115%0.1529%0.089CC..THydrogen-bonded Turntrans-73.3-14.9168.7-62.5176.4000111.9F1926 K1928 L1931 L2088 L2089F1926-L2091 WeakPolarHBondContact O-CD1 3.32Å; K1928-L2091 WeakPolarHBondContact CE-O 3.49Å; K1928-L2091 HydrophobicContact CG-CB 4.33Å; K1928-L2091 PolarHBondContact NZ-O 2.83Å; L1931-L2091 HydrophobicContact CD1-CD1 3.71Å; L1931-L2091 HydrophobicContact CG-CD1 4.29Å; L2088-L2091 HydrophobicContact CD1-CD1 3.78Å; L2088-L2091 WeakPolarHBondContact O-CB 3.25Å; L2088-L2091 PolarHBondContact O-N 2.95Å; L2088-L2091 VanDerWaalsContact O-N 3.13Å; L2089-L2091 PolarHBondContact O-N 2.96Å; L2089-L2091 VanDerWaalsContact O-N 3.13Å
2092Y87.4Confident91Very high24 Ų2422.1 Ų22.19%0.09412%0.115CC..SBendtrans-113.7157.1-179.6-60.6-83.9000110.9L1931 I2055 V2065 L2089 T2090 V2094L1931-Y2092 HydrophobicContact CD1-CE2 3.54Å; L1931-Y2092 VanDerWaalsContact CD1-OH 3.26Å; L1931-Y2092 WeakPolarHBondContact CD1-OH 3.37Å; I2055-Y2092 HydrophobicContact CD1-CD2 4.46Å; I2055-Y2092 HydrophobicContact CD1-CE2 4.04Å; I2055-Y2092 HydrophobicContact CG2-CE2 3.78Å; V2065-Y2092 HydrophobicContact CB-CD1 3.7Å; V2065-Y2092 HydrophobicContact CB-CD2 4.29Å; V2065-Y2092 HydrophobicContact CB-CE1 4.03Å; V2065-Y2092 HydrophobicContact CB-CG 3.83Å; V2065-Y2092 HydrophobicContact CG1-CD1 4.07Å; V2065-Y2092 HydrophobicContact CG1-CD2 3.81Å; V2065-Y2092 HydrophobicContact CG1-CE2 4.37Å; V2065-Y2092 HydrophobicContact CG1-CG 3.63Å; V2065-Y2092 HydrophobicContact CG2-CD1 4.44Å; V2065-Y2092 HydrophobicContact CG2-CE1 4.27Å; L2089-Y2092 WeakPolarHBondContact O-CA 3.26Å; L2089-Y2092 PolarHBondContact O-N 2.71Å; L2089-Y2092 VanDerWaalsContact O-O 3.11Å; T2090-Y2092 PolarHBondContact O-N 3.5Å; Y2092-V2094 PolarHBondContact O-N 3.4Å
2093N85.1Confident90.6Very high111 Ų11125.1 Ų25.159%0.59414%0.136SC*.  trans-82.392.3173.1-177.521.4000109.1N2066 G2067N2066-N2093 CarbonylContact C-O 3.56Å; N2066-N2093 WeakPolarHBondContact CA-O 3.48Å; N2066-N2093 HydrophobicContact CB-CB 4.49Å; N2066-N2093 PolarHBondContact OD1-N 3.05Å; G2067-N2093 PolarHBondContact N-O 3.21Å
2094V90.5Very high90.5Very high2 Ų224.9 Ų24.91%0.01214%0.135CC..  trans-125.9162.2-178.1-65.10000111.4V2065 L2068 I2070 L2089 Y2092 L2096 V2119V2065-V2094 HydrophobicContact CG1-CG1 4.22Å; V2065-V2094 WeakPolarHBondContact O-CG1 3.43Å; L2068-V2094 WeakPolarHBondContact O-CA 3.45Å; L2068-V2094 WeakPolarHBondContact O-CB 3.18Å; I2070-V2094 HydrophobicContact CD1-CB 4.31Å; I2070-V2094 HydrophobicContact CD1-CG1 3.95Å; L2089-V2094 HydrophobicContact CB-CG2 4.12Å; L2089-V2094 HydrophobicContact CD2-CG1 4.49Å; Y2092-V2094 PolarHBondContact O-N 3.4Å; V2094-L2096 HydrophobicContact CG2-CD2 3.86Å; V2094-L2096 HydrophobicContact CG2-CG 4.26Å; V2094-V2119 HydrophobicContact CG2-CG1 4.09Å; V2094-V2119 WeakPolarHBondContact O-CG1 3.43Å
2095N92Very high90.4Very high56 Ų5627.4 Ų27.430%0.29915%0.147SC..EExtended strand (participates in β ladder)trans-105.2128.9163.6-60.3-56000108.4L2068 T2069 I2070 K2120L2068-N2095 PolarHBondContact O-N 3.1Å; T2069-N2095 CarbonylContact C-O 3.59Å; T2069-N2095 WeakPolarHBondContact CA-O 3.5Å; T2069-N2095 HydrophobicContact CG2-CB 4.35Å; I2070-N2095 PolarHBondContact N-O 3.2Å; N2095-K2120 WeakPolarHBondContact OD1-CB 3.49Å
2096L94.6Very high90.4Very high1 Ų127.7 Ų27.71%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-102.4133.4175.9-59.8-171.8000110.6I2070 M2072 A2086 L2089 V2094 Y2098 V2114 V2119 K2120 Q2121 L2122I2070-L2096 HydrophobicContact CB-CD2 3.86Å; I2070-L2096 HydrophobicContact CG2-CD2 4.39Å; I2070-L2096 WeakPolarHBondContact O-CA 3.1Å; M2072-L2096 HydrophobicContact CE-CD2 4.34Å; A2086-L2096 HydrophobicContact CB-CD1 4.17Å; L2089-L2096 HydrophobicContact CD1-CD2 3.91Å; V2094-L2096 HydrophobicContact CG2-CD2 3.86Å; V2094-L2096 HydrophobicContact CG2-CG 4.26Å; L2096-Y2098 HydrophobicContact CB-CE1 4.27Å; L2096-Y2098 WeakPolarHBondContact CD1-OH 3.36Å; L2096-V2114 HydrophobicContact CD1-CG1 3.86Å; L2096-V2114 HydrophobicContact CD1-CG2 4.25Å; L2096-V2119 HydrophobicContact CD1-CG1 4.14Å; L2096-V2119 HydrophobicContact CG-CG1 3.83Å; L2096-K2120 PolarHBondContact N-O 3.43Å; L2096-Q2121 HydrophobicContact CB-CG 4.45Å; L2096-Q2121 CarbonylContact O-C 3.58Å; L2096-Q2121 VanDerWaalsContact O-CA 3.26Å; L2096-Q2121 WeakPolarHBondContact O-CA 3.2Å; L2096-L2122 PolarHBondContact O-N 3.28Å
2097Q94.6Very high90.3Very high14 Ų1429.2 Ų29.27%0.06516%0.158CC..EExtended strand (participates in β ladder)trans-120.6141.1172.9-55.1-174.5-19.400109.8T2069 I2070 T2071 M2072 L2122 V2130T2069-Q2097 VanDerWaalsContact CG2-CD 3.46Å; T2069-Q2097 HydrophobicContact CG2-CG 3.8Å; I2070-Q2097 PolarHBondContact O-N 3.28Å; T2071-Q2097 CarbonylContact C-O 3.57Å; T2071-Q2097 WeakPolarHBondContact CA-O 3.46Å; T2071-Q2097 HydrophobicContact CG2-CB 4.06Å; T2071-Q2097 PolarHBondContact OG1-OE1 3.42Å; T2071-Q2097 VanDerWaalsContact OG1-OE1 3.06Å; M2072-Q2097 PolarHBondContact N-O 3.03Å; Q2097-L2122 CarbonylContact C-O 3.53Å; Q2097-L2122 VanDerWaalsContact CA-O 3.22Å; Q2097-L2122 WeakPolarHBondContact CA-O 3.28Å; Q2097-L2122 HydrophobicContact CG-CB 4.25Å; Q2097-L2122 HydrophobicContact CG-CD2 4.42Å; Q2097-V2130 VanDerWaalsContact OE1-CB 3.27Å
2098Y94.4Very high90.1Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-121.6124.5-177.5-55.3-58000110.4M2072 L2076 L2096 M2106 Q2121 L2122 F2123 A2124M2072-Y2098 HydrophobicContact CB-CD1 4.22Å; M2072-Y2098 HydrophobicContact SD-CE1 4.07Å; L2076-Y2098 HydrophobicContact CD1-CD1 3.94Å; L2076-Y2098 HydrophobicContact CD1-CG 4.21Å; L2096-Y2098 HydrophobicContact CB-CE1 4.27Å; L2096-Y2098 WeakPolarHBondContact CD1-OH 3.36Å; Y2098-M2106 HydrophobicContact CD1-CE 3.71Å; Y2098-M2106 HydrophobicContact CE1-CE 3.37Å; Y2098-Q2121 HydrophobicContact CE2-CB 4.07Å; Y2098-Q2121 HydrophobicContact CE2-CG 3.98Å; Y2098-Q2121 VanDerWaalsContact CE2-OE1 3.3Å; Y2098-Q2121 PolarHBondContact OH-OE1 2.79Å; Y2098-L2122 PolarHBondContact N-O 3.23Å; Y2098-F2123 AromaticContact CD2-CD1 3.81Å; Y2098-F2123 HydrophobicContact CD2-CD1 3.81Å; Y2098-F2123 AromaticContact CD2-CE1 3.41Å; Y2098-F2123 HydrophobicContact CD2-CE1 3.41Å; Y2098-F2123 VanDerWaalsContact CD2-CE1 3.41Å; Y2098-F2123 HydrophobicContact CD2-CE2 4.24Å; Y2098-F2123 HydrophobicContact CD2-CG 4.38Å; Y2098-F2123 AromaticContact CD2-CZ 3.64Å; Y2098-F2123 HydrophobicContact CD2-CZ 3.64Å; Y2098-F2123 HydrophobicContact CE2-CE1 4.16Å; Y2098-F2123 AromaticContact CE2-CZ 4Å; Y2098-F2123 HydrophobicContact CE2-CZ 4Å; Y2098-F2123 HydrophobicContact CG-CD1 4.33Å; Y2098-F2123 HydrophobicContact CG-CE1 4.17Å; Y2098-A2124 PolarHBondContact O-N 2.93Å
2099V92.8Very high90Very high0 Ų038.5 Ų38.50%021%0.207CC..EExtended strand (participates in β ladder)trans-125.8104.5174.9-171.90000109.5T2071 M2072 V2073 G2074 A2124 V2130 L2160T2071-V2099 HydrophobicContact CG2-CG2 3.99Å; M2072-V2099 PolarHBondContact O-N 2.94Å; V2073-V2099 CarbonylContact C-O 3.51Å; V2073-V2099 WeakPolarHBondContact CA-O 3.27Å; V2073-V2099 HydrophobicContact CB-CB 4.41Å; V2073-V2099 HydrophobicContact CG1-CB 4.11Å; V2073-V2099 HydrophobicContact CG1-CG1 4.32Å; V2073-V2099 HydrophobicContact CG2-CB 3.96Å; V2073-V2099 HydrophobicContact CG2-CG2 4.26Å; G2074-V2099 PolarHBondContact N-O 3.31Å; V2099-A2124 WeakPolarHBondContact CA-O 3.47Å; V2099-A2124 HydrophobicContact CG2-CB 4.21Å; V2099-V2130 HydrophobicContact CG2-CG2 3.78Å; V2099-L2160 HydrophobicContact CG1-CD1 4.22Å; V2099-L2160 HydrophobicContact CG1-CD2 3.76Å
2100A90.3Very high89.8Confident5 Ų538.5 Ų38.54%0.04121%0.207CC..  trans-144.2155.6-178.200000111.4G2074 L2076 L2104 Q2105G2074-A2100 VanDerWaalsContact O-CB 3.26Å; G2074-A2100 WeakPolarHBondContact O-CB 3.28Å; L2076-A2100 HydrophobicContact CB-CB 4.42Å; L2076-A2100 HydrophobicContact CD1-CB 3.86Å; L2076-A2100 HydrophobicContact CG-CB 3.94Å; A2100-L2104 WeakPolarHBondContact CB-O 3.46Å; A2100-Q2105 PolarHBondContact O-NE2 3.46Å
2101P86.6Confident89.8Confident25 Ų2539 Ų3916%0.16221%0.21CC..  trans-56.2149.8163.7-22.434.7000111S2103 L2104 C2156 L2160P2101-S2103 PolarHBondContact O-N 2.9Å; P2101-L2104 HydrophobicContact CB-CD1 4.47Å; P2101-L2104 HydrophobicContact CG-CD1 4.16Å; P2101-L2104 PolarHBondContact O-N 2.94Å; P2101-C2156 HydrophobicContact CB-CB 4.43Å; P2101-C2156 HydrophobicContact CG-CB 4.24Å; P2101-L2160 HydrophobicContact CG-CD1 4.44Å
2102N81.1Confident89.8Confident120 Ų12043.3 Ų43.364%0.64223%0.23SC*.G310 helixtrans-53.4-34.1-176.8-77.1-16.3000113.7L2104N2102-L2104 VanDerWaalsContact C-N 3.32Å
2103S84Confident90Very high64 Ų6444.3 Ų44.345%0.44824%0.235SC..G310 helixtrans-77.5-12.8-179.746.50000114.4K2077 P2101 C2156K2077-S2103 WeakPolarHBondContact CD-O 3.47Å; P2101-S2103 PolarHBondContact O-N 2.9Å; S2103-C2156 PolarHBondContact OG-SG 3.07Å
2104L89.5Confident90.3Very high4 Ų439 Ų392%0.02121%0.207CC..G310 helixtrans-125.926.4-170.6-55.7175.8000113.1D2075 L2076 K2077 A2100 P2101 N2102 I2142 F2147 C2156D2075-L2104 HydrophobicContact CB-CD1 4.16Å; L2076-L2104 WeakPolarHBondContact CA-O 3.23Å; L2076-L2104 WeakPolarHBondContact CB-O 3.4Å; L2076-L2104 PolarHBondContact N-O 3.05Å; K2077-L2104 HydrophobicContact CB-CB 4.48Å; K2077-L2104 PolarHBondContact N-O 3.46Å; K2077-L2104 VanDerWaalsContact N-O 3.1Å; A2100-L2104 WeakPolarHBondContact CB-O 3.46Å; P2101-L2104 HydrophobicContact CB-CD1 4.47Å; P2101-L2104 HydrophobicContact CG-CD1 4.16Å; P2101-L2104 PolarHBondContact O-N 2.94Å; N2102-L2104 VanDerWaalsContact C-N 3.32Å; L2104-I2142 HydrophobicContact CD1-CD1 3.73Å; L2104-I2142 HydrophobicContact CD1-CG2 4.15Å; L2104-F2147 HydrophobicContact CD1-CZ 3.91Å; L2104-F2147 HydrophobicContact CD2-CE1 4.3Å; L2104-F2147 HydrophobicContact CD2-CE2 4.46Å; L2104-F2147 HydrophobicContact CD2-CZ 3.78Å; L2104-F2147 HydrophobicContact CG-CZ 4.33Å; L2104-C2156 HydrophobicContact CD1-CB 3.98Å
2105Q91.6Very high90.2Very high53 Ų5345.7 Ų45.725%0.24824%0.237CC..PPolyproline II helixtrans-63.6158.4176.7-67.4-66.8-27.200112.2K2077 A2100K2077-Q2105 WeakPolarHBondContact CA-O 3.46Å; K2077-Q2105 WeakPolarHBondContact CB-O 3.48Å; K2077-Q2105 PolarHBondContact N-O 3.06Å; A2100-Q2105 PolarHBondContact O-NE2 3.46Å
2106M92.6Very high89.9Confident7 Ų750.3 Ų50.33%0.03426%0.257CS..PPolyproline II helixtrans-55.1133.5175.2-17166.77500110.1M2072 L2076 V2082 Y2098 V2110 V2111M2072-M2106 HydrophobicContact SD-CE 3.94Å; L2076-M2106 HydrophobicContact CB-CB 4.28Å; L2076-M2106 HydrophobicContact CB-CE 4.24Å; L2076-M2106 HydrophobicContact CB-SD 4.46Å; L2076-M2106 HydrophobicContact CD1-CE 4.43Å; L2076-M2106 HydrophobicContact CD2-CE 4.42Å; V2082-M2106 HydrophobicContact CB-CE 4.24Å; V2082-M2106 HydrophobicContact CG2-CE 4.16Å; V2082-M2106 HydrophobicContact CG2-SD 4.5Å; Y2098-M2106 HydrophobicContact CD1-CE 3.71Å; Y2098-M2106 HydrophobicContact CE1-CE 3.37Å; M2106-V2110 HydrophobicContact CG-CB 4.03Å; M2106-V2110 HydrophobicContact CG-CG1 4.11Å; M2106-V2110 HydrophobicContact SD-CB 4.1Å; M2106-V2110 HydrophobicContact SD-CG1 3.86Å; M2106-V2111 HydrophobicContact CB-CG2 3.81Å; M2106-V2111 HydrophobicContact CG-CG2 3.71Å
2107P90.3Very high89.7Confident32 Ų3256.7 Ų56.721%0.20828%0.281CS..PPolyproline II helixtrans-59.4140.4178.9-24.534.5000112L2076 H2083 E2109 V2110 V2111L2076-P2107 WeakPolarHBondContact O-CD 3.39Å; H2083-P2107 WeakPolarHBondContact NE2-CD 3.26Å; P2107-E2109 HydrophobicContact CB-CG 4.12Å; P2107-E2109 PolarHBondContact O-N 3.46Å; P2107-E2109 VanDerWaalsContact O-N 3.11Å; P2107-V2110 HydrophobicContact CB-CG2 4.45Å; P2107-V2110 PolarHBondContact O-N 3.03Å; P2107-V2111 PolarHBondContact O-N 3.24Å; P2107-V2111 VanDerWaalsContact O-N 3.16Å
2108D89.5Confident89.3Confident126 Ų12659.4 Ų59.467%0.67431%0.313SS*.Hα-helixtrans-55.2-33.9-177.8-69.6-33.8000112.6V2110 V2111 Q2112D2108-V2110 VanDerWaalsContact C-N 3.31Å; D2108-V2110 PolarHBondContact O-N 3.01Å; D2108-V2111 PolarHBondContact O-N 3.23Å; D2108-Q2112 VanDerWaalsContact O-CB 3.3Å; D2108-Q2112 WeakPolarHBondContact O-CB 3.37Å; D2108-Q2112 VanDerWaalsContact O-CG 3.25Å; D2108-Q2112 WeakPolarHBondContact O-CG 3.35Å; D2108-Q2112 PolarHBondContact O-N 3.36Å
2109E89.1Confident89Confident119 Ų11960 Ų6056%0.55632%0.316SS*.Hα-helixtrans-60.8-37.7176.765.5162.5-126.900113R2087 P2107 F2113R2087-E2109 IonicContact NH2-OE1 3.32Å; R2087-E2109 PolarHBondContact NH2-OE1 3.36Å; P2107-E2109 HydrophobicContact CB-CG 4.12Å; P2107-E2109 PolarHBondContact O-N 3.46Å; P2107-E2109 VanDerWaalsContact O-N 3.11Å; E2109-F2113 WeakPolarHBondContact O-CB 3.37Å; E2109-F2113 PolarHBondContact O-N 3.22Å
2110V89.4Confident88.8Confident0 Ų067.1 Ų67.10%035%0.347CS..Hα-helixtrans-77.1-43.5-178.8-179.50000108.9H2083 A2086 M2106 P2107 D2108 Q2112 F2113 V2114H2083-V2110 HydrophobicContact CB-CG2 4.28Å; A2086-V2110 HydrophobicContact CB-CG1 3.93Å; M2106-V2110 HydrophobicContact CG-CB 4.03Å; M2106-V2110 HydrophobicContact CG-CG1 4.11Å; M2106-V2110 HydrophobicContact SD-CB 4.1Å; M2106-V2110 HydrophobicContact SD-CG1 3.86Å; P2107-V2110 HydrophobicContact CB-CG2 4.45Å; P2107-V2110 PolarHBondContact O-N 3.03Å; D2108-V2110 VanDerWaalsContact C-N 3.31Å; D2108-V2110 PolarHBondContact O-N 3.01Å; V2110-Q2112 VanDerWaalsContact C-N 3.3Å; V2110-Q2112 PolarHBondContact O-N 3.36Å; V2110-F2113 WeakPolarHBondContact O-CB 3.49Å; V2110-F2113 PolarHBondContact O-N 3.15Å; V2110-V2114 HydrophobicContact CG1-CG2 4.4Å; V2110-V2114 VanDerWaalsContact O-CG2 3.29Å; V2110-V2114 WeakPolarHBondContact O-CG2 3.37Å; V2110-V2114 PolarHBondContact O-N 2.78Å
2111V91.1Very high88.9Confident27 Ų2768.6 Ų68.616%0.16435%0.353CS..Hα-helixtrans-58.2-45176.3175.30000110.7M2106 P2107 D2108 V2114 H2115 Q2121 F2123M2106-V2111 HydrophobicContact CB-CG2 3.81Å; M2106-V2111 HydrophobicContact CG-CG2 3.71Å; P2107-V2111 PolarHBondContact O-N 3.24Å; P2107-V2111 VanDerWaalsContact O-N 3.16Å; D2108-V2111 PolarHBondContact O-N 3.23Å; V2111-V2114 PolarHBondContact O-N 2.96Å; V2111-H2115 VanDerWaalsContact O-CB 3.31Å; V2111-H2115 WeakPolarHBondContact O-CB 3.49Å; V2111-H2115 PolarHBondContact O-N 3.12Å; V2111-Q2121 PolarHBondContact O-NE2 3.03Å; V2111-F2123 HydrophobicContact CG1-CZ 3.92Å; V2111-F2123 HydrophobicContact CG2-CE1 4.34Å; V2111-F2123 HydrophobicContact CG2-CZ 3.99Å
2112Q89.9Confident89.2Confident120 Ų12071.2 Ų71.256%0.56137%0.366SS*.Hα-helixtrans-65.2-43.1175.7-751809.200112.1D2108 V2110 V2114 H2115 Q2116D2108-Q2112 VanDerWaalsContact O-CB 3.3Å; D2108-Q2112 WeakPolarHBondContact O-CB 3.37Å; D2108-Q2112 VanDerWaalsContact O-CG 3.25Å; D2108-Q2112 WeakPolarHBondContact O-CG 3.35Å; D2108-Q2112 PolarHBondContact O-N 3.36Å; V2110-Q2112 VanDerWaalsContact C-N 3.3Å; V2110-Q2112 PolarHBondContact O-N 3.36Å; Q2112-V2114 VanDerWaalsContact C-N 3.35Å; Q2112-V2114 PolarHBondContact O-N 3.03Å; Q2112-H2115 PolarHBondContact O-N 2.92Å; Q2112-Q2116 VanDerWaalsContact O-CG 3.31Å; Q2112-Q2116 WeakPolarHBondContact O-CG 3.38Å; Q2112-Q2116 PolarHBondContact O-N 3.26Å
2113F90.8Very high89.7Confident45 Ų4570.6 Ų70.620%0.19736%0.357CS..Hα-helixtrans-58.2-46.9176.3179.8-85.4000111.8R2087 T2090 E2109 V2110 H2115 Q2116 R2117R2087-F2113 HydrophobicContact CB-CD1 4.2Å; R2087-F2113 HydrophobicContact CB-CE1 3.85Å; R2087-F2113 HydrophobicContact CB-CZ 4.48Å; R2087-F2113 HydrophobicContact CG-CD1 3.75Å; R2087-F2113 HydrophobicContact CG-CE1 3.86Å; R2087-F2113 HydrophobicContact CG-CG 4.3Å; R2087-F2113 HydrophobicContact CG-CZ 4.49Å; T2090-F2113 HydrophobicContact CG2-CD1 4.14Å; T2090-F2113 HydrophobicContact CG2-CE1 3.92Å; E2109-F2113 WeakPolarHBondContact O-CB 3.37Å; E2109-F2113 PolarHBondContact O-N 3.22Å; V2110-F2113 WeakPolarHBondContact O-CB 3.49Å; V2110-F2113 PolarHBondContact O-N 3.15Å; F2113-H2115 VanDerWaalsContact C-N 3.34Å; F2113-Q2116 PolarHBondContact O-N 2.8Å; F2113-R2117 HydrophobicContact CE1-CG 4.34Å; F2113-R2117 PolarHBondContact O-N 3.37Å
2114V91.1Very high89.8Confident0 Ų068.4 Ų68.40%034%0.343CS..Hα-helixtrans-64.2-40.7177.81740000110.7A2086 T2090 L2096 V2110 V2111 Q2112 R2117 G2118 V2119 Q2121A2086-V2114 HydrophobicContact CB-CG2 4.19Å; T2090-V2114 HydrophobicContact CG2-CB 4.41Å; T2090-V2114 HydrophobicContact CG2-CG2 4.06Å; L2096-V2114 HydrophobicContact CD1-CG1 3.86Å; L2096-V2114 HydrophobicContact CD1-CG2 4.25Å; V2110-V2114 HydrophobicContact CG1-CG2 4.4Å; V2110-V2114 VanDerWaalsContact O-CG2 3.29Å; V2110-V2114 WeakPolarHBondContact O-CG2 3.37Å; V2110-V2114 PolarHBondContact O-N 2.78Å; V2111-V2114 PolarHBondContact O-N 2.96Å; Q2112-V2114 VanDerWaalsContact C-N 3.35Å; Q2112-V2114 PolarHBondContact O-N 3.03Å; V2114-R2117 PolarHBondContact O-N 2.87Å; V2114-G2118 PolarHBondContact O-N 3.37Å; V2114-V2119 HydrophobicContact CG1-CB 3.59Å; V2114-V2119 HydrophobicContact CG1-CG1 3.6Å; V2114-V2119 PolarHBondContact O-N 2.79Å; V2114-Q2121 HydrophobicContact CB-CG 4.48Å; V2114-Q2121 HydrophobicContact CG1-CG 3.6Å
2115H89.2Confident89.4Confident142 Ų14277.8 Ų77.866%0.65738%0.378SS*.Hα-helixtrans-63.8-43.6177.9-173.772.4000112.2V2111 Q2112 F2113 R2117 G2118 Q2121V2111-H2115 VanDerWaalsContact O-CB 3.31Å; V2111-H2115 WeakPolarHBondContact O-CB 3.49Å; V2111-H2115 PolarHBondContact O-N 3.12Å; Q2112-H2115 PolarHBondContact O-N 2.92Å; F2113-H2115 VanDerWaalsContact C-N 3.34Å; H2115-R2117 PolarHBondContact O-N 2.84Å; H2115-G2118 PolarHBondContact O-N 3.34Å; H2115-Q2121 VanDerWaalsContact N-NE2 3.16Å
2116Q86.5Confident89Confident153 Ų15378.4 Ų78.472%0.71538%0.383SS*.Hα-helixtrans-60.9-26.4176.3-73.91749.400113.1Q2112 F2113 G2118Q2112-Q2116 VanDerWaalsContact O-CG 3.31Å; Q2112-Q2116 WeakPolarHBondContact O-CG 3.38Å; Q2112-Q2116 PolarHBondContact O-N 3.26Å; F2113-Q2116 PolarHBondContact O-N 2.8Å; Q2116-G2118 VanDerWaalsContact C-N 3.32Å
2117R89.4Confident88.6Confident135 Ų13578.2 Ų78.251%0.50938%0.382SS..THydrogen-bonded Turntrans-87.53.5176.2-67.4-71.2-171.7121.7-1113.7T2090 F2113 V2114 H2115 V2119T2090-R2117 HydrophobicContact CG2-CB 3.9Å; T2090-R2117 HydrophobicContact CG2-CG 4.04Å; F2113-R2117 HydrophobicContact CE1-CG 4.34Å; F2113-R2117 PolarHBondContact O-N 3.37Å; V2114-R2117 PolarHBondContact O-N 2.87Å; H2115-R2117 PolarHBondContact O-N 2.84Å; R2117-V2119 VanDerWaalsContact C-N 3.34Å; R2117-V2119 PolarHBondContact O-N 2.87Å
2118G85.5Confident88.3Confident71 Ų7179.7 Ų79.773%0.73239%0.385SS*.THydrogen-bonded Turntrans76.216.2175.400000114.9V2114 H2115 Q2116V2114-G2118 PolarHBondContact O-N 3.37Å; H2115-G2118 PolarHBondContact O-N 3.34Å; Q2116-G2118 VanDerWaalsContact C-N 3.32Å
2119V88.8Confident87.9Confident11 Ų1179.2 Ų79.27%0.06738%0.383CS..  trans-83.7129.4178.4169.80000110T2090 V2094 L2096 V2114 R2117T2090-V2119 HydrophobicContact CG2-CG2 4.3Å; V2094-V2119 HydrophobicContact CG2-CG1 4.09Å; V2094-V2119 WeakPolarHBondContact O-CG1 3.43Å; L2096-V2119 HydrophobicContact CD1-CG1 4.14Å; L2096-V2119 HydrophobicContact CG-CG1 3.83Å; V2114-V2119 HydrophobicContact CG1-CB 3.59Å; V2114-V2119 HydrophobicContact CG1-CG1 3.6Å; V2114-V2119 PolarHBondContact O-N 2.79Å; R2117-V2119 VanDerWaalsContact C-N 3.34Å; R2117-V2119 PolarHBondContact O-N 2.87Å
2120K89.4Confident87.9Confident151 Ų15173.9 Ų73.966%0.65736%0.358SS*.EExtended strand (participates in β ladder)trans-70.7132.3179.8-169.9179.7-179.1-176.70110.1N2095 L2096N2095-K2120 WeakPolarHBondContact OD1-CB 3.49Å; L2096-K2120 PolarHBondContact N-O 3.43Å
2121Q92Very high87.7Confident36 Ų3673.9 Ų73.917%0.16836%0.358CS..EExtended strand (participates in β ladder)trans-124135.6-177-67.5175.483.700110.5L2096 Y2098 V2111 V2114 H2115 F2123L2096-Q2121 HydrophobicContact CB-CG 4.45Å; L2096-Q2121 CarbonylContact O-C 3.58Å; L2096-Q2121 VanDerWaalsContact O-CA 3.26Å; L2096-Q2121 WeakPolarHBondContact O-CA 3.2Å; Y2098-Q2121 HydrophobicContact CE2-CB 4.07Å; Y2098-Q2121 HydrophobicContact CE2-CG 3.98Å; Y2098-Q2121 VanDerWaalsContact CE2-OE1 3.3Å; Y2098-Q2121 PolarHBondContact OH-OE1 2.79Å; V2111-Q2121 PolarHBondContact O-NE2 3.03Å; V2114-Q2121 HydrophobicContact CB-CG 4.48Å; V2114-Q2121 HydrophobicContact CG1-CG 3.6Å; H2115-Q2121 VanDerWaalsContact N-NE2 3.16Å; Q2121-F2123 HydrophobicContact CB-CE2 4.46Å
2122L91.9Very high87.4Confident80 Ų8075.7 Ų75.742%0.41937%0.37SS..EExtended strand (participates in β ladder)trans-132.3134.8176.2-177.4144.1000110.6L2096 Q2097 Y2098 A2124 V2130L2096-L2122 PolarHBondContact O-N 3.28Å; Q2097-L2122 CarbonylContact C-O 3.53Å; Q2097-L2122 VanDerWaalsContact CA-O 3.22Å; Q2097-L2122 WeakPolarHBondContact CA-O 3.28Å; Q2097-L2122 HydrophobicContact CG-CB 4.25Å; Q2097-L2122 HydrophobicContact CG-CD2 4.42Å; Y2098-L2122 PolarHBondContact N-O 3.23Å; L2122-A2124 HydrophobicContact CD2-CB 4.19Å; L2122-V2130 HydrophobicContact CD2-CG1 4.14Å
2123F91.2Very high87.2Confident107 Ų10774.5 Ų74.547%0.46937%0.368SS..EExtended strand (participates in β ladder)trans-108.5126.8180-62-97.6000109.2Y2098 V2111 Q2121Y2098-F2123 AromaticContact CD2-CD1 3.81Å; Y2098-F2123 HydrophobicContact CD2-CD1 3.81Å; Y2098-F2123 AromaticContact CD2-CE1 3.41Å; Y2098-F2123 HydrophobicContact CD2-CE1 3.41Å; Y2098-F2123 VanDerWaalsContact CD2-CE1 3.41Å; Y2098-F2123 HydrophobicContact CD2-CE2 4.24Å; Y2098-F2123 HydrophobicContact CD2-CG 4.38Å; Y2098-F2123 AromaticContact CD2-CZ 3.64Å; Y2098-F2123 HydrophobicContact CD2-CZ 3.64Å; Y2098-F2123 HydrophobicContact CE2-CE1 4.16Å; Y2098-F2123 AromaticContact CE2-CZ 4Å; Y2098-F2123 HydrophobicContact CE2-CZ 4Å; Y2098-F2123 HydrophobicContact CG-CD1 4.33Å; Y2098-F2123 HydrophobicContact CG-CE1 4.17Å; V2111-F2123 HydrophobicContact CG1-CZ 3.92Å; V2111-F2123 HydrophobicContact CG2-CE1 4.34Å; V2111-F2123 HydrophobicContact CG2-CZ 3.99Å; Q2121-F2123 HydrophobicContact CB-CE2 4.46Å
2124A87.1Confident87.2Confident17 Ų1772.4 Ų72.414%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-129.7152.4177.900000111Y2098 V2099 L2122 V2130Y2098-A2124 PolarHBondContact O-N 2.93Å; V2099-A2124 WeakPolarHBondContact CA-O 3.47Å; V2099-A2124 HydrophobicContact CG2-CB 4.21Å; L2122-A2124 HydrophobicContact CD2-CB 4.19Å; A2124-V2130 HydrophobicContact CB-CG1 3.43Å; A2124-V2130 VanDerWaalsContact CB-CG1 3.43Å
2125R80.8Confident87.2Confident202 Ų20273.4 Ų73.476%0.76236%0.364SS*.SBendtrans-96.6-27.8178.7-68.2-173.7177.1178.41.4113.5
2126D83Confident87.4Confident66 Ų6666.7 Ų66.735%0.35333%0.333SS..  trans-119.4128.9-177.1-174.7-4.6000109.4K2128 N2129D2126-K2128 PolarHBondContact O-N 3.28Å; D2126-K2128 WeakPolarHBondContact OD1-CB 3.26Å; D2126-K2128 PolarHBondContact OD1-N 3.44Å; D2126-N2129 PolarHBondContact O-N 3.43Å
2127L85Confident87.9Confident3 Ų359.5 Ų59.52%0.01630%0.299CS..G310 helixtrans-59-35176-173.464.4000111.8V2073 N2129 V2130 L2131 L2137 L2162V2073-L2127 HydrophobicContact CG1-CD1 4.47Å; V2073-L2127 HydrophobicContact CG2-CD1 3.92Å; L2127-N2129 PolarHBondContact O-N 3.2Å; L2127-V2130 HydrophobicContact CD1-CG2 4.32Å; L2127-V2130 WeakPolarHBondContact O-CG2 3.19Å; L2127-V2130 PolarHBondContact O-N 3.39Å; L2127-L2131 HydrophobicContact CD1-CD1 4.47Å; L2127-L2131 HydrophobicContact CD1-CD2 4.21Å; L2127-L2131 HydrophobicContact CD1-CG 4.1Å; L2127-L2131 HydrophobicContact CD2-CD1 4.13Å; L2127-L2131 HydrophobicContact CG-CD1 3.71Å; L2127-L2131 HydrophobicContact CG-CD2 4.29Å; L2127-L2131 HydrophobicContact CG-CG 3.85Å; L2127-L2131 VanDerWaalsContact O-CG 3.29Å; L2127-L2131 WeakPolarHBondContact O-CG 3.3Å; L2127-L2131 PolarHBondContact O-N 3.04Å; L2127-L2131 VanDerWaalsContact O-N 3.13Å; L2127-L2137 HydrophobicContact CD1-CD1 3.79Å; L2127-L2162 HydrophobicContact CD2-CD1 3.73Å
2128K82.8Confident88.2Confident62 Ų6253 Ų5327%0.2728%0.275SS..G310 helixtrans-62-26.2-177.4-69.4-177.4-180-1710114.1D2126 E2165 H2166D2126-K2128 PolarHBondContact O-N 3.28Å; D2126-K2128 WeakPolarHBondContact OD1-CB 3.26Å; D2126-K2128 PolarHBondContact OD1-N 3.44Å; K2128-E2165 IonicContact NZ-OE1 3.61Å; K2128-H2166 WeakPolarHBondContact CE-NE2 3.37Å
2129N82.8Confident88.6Confident117 Ų11749.7 Ų49.763%0.62624%0.241SC*.G310 helixtrans-83.1-18.6-177.7-66.8-19.4000113.1D2126 L2127D2126-N2129 PolarHBondContact O-N 3.43Å; L2127-N2129 PolarHBondContact O-N 3.2Å
2130V88.4Confident88.7Confident6 Ų649.5 Ų49.54%0.03624%0.239CC..THydrogen-bonded Turntrans-110.7-23.6-174.4-710000113.6T2071 Q2097 V2099 L2122 A2124 L2127 P2132 D2133 T2134T2071-V2130 HydrophobicContact CG2-CG2 4.03Å; Q2097-V2130 VanDerWaalsContact OE1-CB 3.27Å; V2099-V2130 HydrophobicContact CG2-CG2 3.78Å; L2122-V2130 HydrophobicContact CD2-CG1 4.14Å; A2124-V2130 HydrophobicContact CB-CG1 3.43Å; A2124-V2130 VanDerWaalsContact CB-CG1 3.43Å; L2127-V2130 HydrophobicContact CD1-CG2 4.32Å; L2127-V2130 WeakPolarHBondContact O-CG2 3.19Å; L2127-V2130 PolarHBondContact O-N 3.39Å; V2130-P2132 VanDerWaalsContact C-CD 3.42Å; V2130-D2133 PolarHBondContact O-N 3.36Å; V2130-D2133 VanDerWaalsContact O-N 3.14Å; V2130-T2134 PolarHBondContact O-N 2.85Å; V2130-T2134 VanDerWaalsContact O-N 3.15Å; V2130-T2134 PolarHBondContact O-OG1 3.46Å
2131L85.5Confident88.7Confident1 Ų145.2 Ų45.21%0.00522%0.219CC..G310 helixtrans-54.2-40.1-179.3-80.6167.4000115.2L2127 D2133 T2134 L2137 H2166 R2169 A2170L2127-L2131 HydrophobicContact CD1-CD1 4.47Å; L2127-L2131 HydrophobicContact CD1-CD2 4.21Å; L2127-L2131 HydrophobicContact CD1-CG 4.1Å; L2127-L2131 HydrophobicContact CD2-CD1 4.13Å; L2127-L2131 HydrophobicContact CG-CD1 3.71Å; L2127-L2131 HydrophobicContact CG-CD2 4.29Å; L2127-L2131 HydrophobicContact CG-CG 3.85Å; L2127-L2131 VanDerWaalsContact O-CG 3.29Å; L2127-L2131 WeakPolarHBondContact O-CG 3.3Å; L2127-L2131 PolarHBondContact O-N 3.04Å; L2127-L2131 VanDerWaalsContact O-N 3.13Å; L2131-D2133 PolarHBondContact O-N 2.93Å; L2131-T2134 PolarHBondContact O-N 3.44Å; L2131-T2134 VanDerWaalsContact O-N 3.16Å; L2131-L2137 HydrophobicContact CD2-CD1 4.48Å; L2131-L2137 HydrophobicContact CD2-CD2 4.09Å; L2131-H2166 HydrophobicContact CD1-CB 3.71Å; L2131-R2169 HydrophobicContact CB-CB 4.49Å; L2131-A2170 HydrophobicContact CD2-CB 4.17Å
2132P84.6Confident88.5Confident64 Ų6444.3 Ų44.342%0.41622%0.215SC..G310 helixtrans-59-31.1178.8-26.336.3000113.8V2130 R2169 K2171V2130-P2132 VanDerWaalsContact C-CD 3.42Å; P2132-R2169 WeakPolarHBondContact CA-O 3.25Å; P2132-K2171 WeakPolarHBondContact O-CE 3.38Å; P2132-K2171 WeakPolarHBondContact O-CG 3.21Å
2133D84.6Confident88.1Confident95 Ų9541.6 Ų41.651%0.50820%0.2SC..G310 helixtrans-94.7-13.6-179.1-62.2-37.7000112.9T2069 V2130 L2131 K2171T2069-D2133 WeakPolarHBondContact CB-O 3.42Å; V2130-D2133 PolarHBondContact O-N 3.36Å; V2130-D2133 VanDerWaalsContact O-N 3.14Å; L2131-D2133 PolarHBondContact O-N 2.93Å; D2133-K2171 WeakPolarHBondContact O-CE 3.23Å; D2133-K2171 PolarHBondContact O-NZ 2.73Å
2134T91.5Very high87.7Confident1 Ų143.3 Ų43.31%0.00620%0.204CC..  trans-75.3126.1-173.2-63.40000112.1T2071 V2130 L2131 L2137T2071-T2134 WeakPolarHBondContact OG1-CG2 3.28Å; T2071-T2134 PolarHBondContact OG1-OG1 3.48Å; V2130-T2134 PolarHBondContact O-N 2.85Å; V2130-T2134 VanDerWaalsContact O-N 3.15Å; V2130-T2134 PolarHBondContact O-OG1 3.46Å; L2131-T2134 PolarHBondContact O-N 3.44Å; L2131-T2134 VanDerWaalsContact O-N 3.16Å; T2134-L2137 HydrophobicContact CG2-CB 4.01Å; T2134-L2137 HydrophobicContact CG2-CD1 4.41Å
2135D90.7Very high87.4Confident22 Ų2247.2 Ų47.212%0.11822%0.219CC..SBendtrans-94.9-43.4171-57.1-61000111.1F2062 L2068 T2069 K2171 S2174 I2175F2062-D2135 HydrophobicContact CE1-CB 4.32Å; F2062-D2135 HydrophobicContact CZ-CB 4.14Å; F2062-D2135 VanDerWaalsContact CZ-O 3.25Å; F2062-D2135 WeakPolarHBondContact CZ-O 3.48Å; L2068-D2135 HydrophobicContact CB-CB 4.24Å; L2068-D2135 HydrophobicContact CD2-CB 4.03Å; T2069-D2135 PolarHBondContact N-OD2 2.84Å; T2069-D2135 PolarHBondContact O-N 3.22Å; D2135-K2171 VanDerWaalsContact OD1-CD 3.3Å; D2135-K2171 WeakPolarHBondContact OD1-CD 3.36Å; D2135-K2171 IonicContact OD1-NZ 3.48Å; D2135-K2171 PolarHBondContact OD1-NZ 3.34Å; D2135-K2171 IonicContact OD2-NZ 3.93Å; D2135-K2171 PolarHBondContact OD2-NZ 2.94Å; D2135-S2174 CarbonylContact O-C 3.55Å; D2135-S2174 WeakPolarHBondContact O-CA 3.49Å; D2135-I2175 PolarHBondContact O-N 2.89Å
2136V95Very high87.4Confident0 Ų041 Ų410%020%0.196CC..EExtended strand (participates in β ladder)trans-121.4114.7177.6-177.70000108.9I2058 F2062 L2068 T2069 I2070 T2071 I2175 L2177I2058-V2136 HydrophobicContact CD1-CG1 4.06Å; I2058-V2136 HydrophobicContact CD1-CG2 4.23Å; I2058-V2136 HydrophobicContact CG1-CG1 4.05Å; I2058-V2136 HydrophobicContact CG1-CG2 3.99Å; I2058-V2136 HydrophobicContact CG2-CG2 4.03Å; F2062-V2136 HydrophobicContact CD2-CG2 4.3Å; F2062-V2136 HydrophobicContact CE2-CG2 3.7Å; F2062-V2136 HydrophobicContact CZ-CG2 4.41Å; L2068-V2136 HydrophobicContact CD1-CG2 4.22Å; T2069-V2136 PolarHBondContact O-N 3.33Å; I2070-V2136 CarbonylContact C-O 3.47Å; I2070-V2136 WeakPolarHBondContact CA-O 3.34Å; I2070-V2136 HydrophobicContact CB-CB 4.34Å; I2070-V2136 HydrophobicContact CG1-CB 4.01Å; I2070-V2136 HydrophobicContact CG1-CG2 4.17Å; I2070-V2136 HydrophobicContact CG2-CB 4.13Å; I2070-V2136 HydrophobicContact CG2-CG1 4.25Å; T2071-V2136 PolarHBondContact N-O 3.45Å; V2136-I2175 HydrophobicContact CB-CG1 4.42Å; V2136-I2175 HydrophobicContact CG1-CD1 4.39Å; V2136-I2175 HydrophobicContact CG1-CG1 4.07Å; V2136-I2175 HydrophobicContact CG2-CD1 4.3Å; V2136-I2175 HydrophobicContact CG2-CG1 4.19Å; V2136-L2177 HydrophobicContact CG1-CD1 3.63Å; V2136-L2177 HydrophobicContact CG1-CG 4.07Å
2137L95.6Very high87.3Confident2 Ų239.8 Ų39.81%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-95.3102.1173.1-175.768.1000109.6T2071 V2073 L2127 L2131 T2134 M2139 L2162 I2175 V2176 L2177T2071-L2137 HydrophobicContact CG2-CD1 4.03Å; T2071-L2137 CarbonylContact O-C 3.52Å; V2073-L2137 HydrophobicContact CG2-CD1 3.52Å; L2127-L2137 HydrophobicContact CD1-CD1 3.79Å; L2131-L2137 HydrophobicContact CD2-CD1 4.48Å; L2131-L2137 HydrophobicContact CD2-CD2 4.09Å; T2134-L2137 HydrophobicContact CG2-CB 4.01Å; T2134-L2137 HydrophobicContact CG2-CD1 4.41Å; L2137-M2139 HydrophobicContact CD1-SD 4.29Å; L2137-M2139 HydrophobicContact CD2-CG 4.06Å; L2137-M2139 HydrophobicContact CD2-SD 3.97Å; L2137-M2139 HydrophobicContact CG-CG 4.01Å; L2137-M2139 HydrophobicContact CG-SD 4.06Å; L2137-M2139 PolarHBondContact O-N 3.48Å; L2137-L2162 HydrophobicContact CD2-CD1 3.5Å; L2137-L2162 HydrophobicContact CD2-CD2 3.65Å; L2137-L2162 HydrophobicContact CD2-CG 4.19Å; L2137-I2175 PolarHBondContact N-O 2.88Å; L2137-V2176 HydrophobicContact CD2-CG2 4.37Å; L2137-V2176 CarbonylContact O-C 3.51Å; L2137-V2176 WeakPolarHBondContact O-CA 3.49Å; L2137-L2177 PolarHBondContact O-N 2.86Å
2138Y95.8Very high87.1Confident0 Ų048 Ų480%023%0.231CC..EExtended strand (participates in β ladder)trans-93.693.6177.5-162.8-82.2000110.4D2054 T2071 M2072 V2073 V2082 L2085 T2140 L2177 P2179D2054-Y2138 HydrophobicContact CB-CE2 4.13Å; D2054-Y2138 WeakPolarHBondContact OD2-CE2 3.38Å; D2054-Y2138 VanDerWaalsContact OD2-CZ 3.27Å; D2054-Y2138 PolarHBondContact OD2-OH 2.72Å; T2071-Y2138 PolarHBondContact O-N 3.41Å; M2072-Y2138 WeakPolarHBondContact CA-O 3.13Å; V2073-Y2138 PolarHBondContact N-O 2.98Å; V2082-Y2138 HydrophobicContact CG1-CD1 3.67Å; V2082-Y2138 HydrophobicContact CG1-CE1 3.65Å; L2085-Y2138 HydrophobicContact CD2-CD1 4.41Å; L2085-Y2138 HydrophobicContact CD2-CD2 3.46Å; L2085-Y2138 VanDerWaalsContact CD2-CD2 3.46Å; L2085-Y2138 HydrophobicContact CD2-CE1 4.42Å; L2085-Y2138 HydrophobicContact CD2-CE2 3.48Å; L2085-Y2138 VanDerWaalsContact CD2-CE2 3.48Å; L2085-Y2138 HydrophobicContact CD2-CG 3.94Å; Y2138-T2140 HydrophobicContact CD1-CG2 3.97Å; Y2138-T2140 HydrophobicContact CE1-CG2 3.89Å; Y2138-L2177 HydrophobicContact CD2-CB 3.62Å; Y2138-L2177 HydrophobicContact CD2-CD1 4.07Å; Y2138-L2177 HydrophobicContact CD2-CG 4.5Å; Y2138-L2177 HydrophobicContact CE2-CB 4.13Å; Y2138-L2177 HydrophobicContact CG-CB 4.4Å; Y2138-P2179 HydrophobicContact CE1-CG 4.17Å
2139M93.5Very high87Confident1 Ų148.2 Ų48.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-80.5144.2179.2-67.4-68-6500110.6V2073 L2137 L2162 V2176 L2177 H2178 P2179 E2185 I2186V2073-M2139 HydrophobicContact CB-SD 3.65Å; V2073-M2139 HydrophobicContact CG1-CE 4.27Å; V2073-M2139 HydrophobicContact CG1-SD 3.8Å; V2073-M2139 HydrophobicContact CG2-SD 4.17Å; V2073-M2139 CarbonylContact O-C 3.55Å; L2137-M2139 HydrophobicContact CD1-SD 4.29Å; L2137-M2139 HydrophobicContact CD2-CG 4.06Å; L2137-M2139 HydrophobicContact CD2-SD 3.97Å; L2137-M2139 HydrophobicContact CG-CG 4.01Å; L2137-M2139 HydrophobicContact CG-SD 4.06Å; L2137-M2139 PolarHBondContact O-N 3.48Å; M2139-L2162 HydrophobicContact CE-CB 4Å; M2139-L2162 HydrophobicContact CG-CD2 4.31Å; M2139-L2162 HydrophobicContact SD-CB 4.41Å; M2139-V2176 HydrophobicContact CG-CG1 4.09Å; M2139-L2177 PolarHBondContact N-O 2.87Å; M2139-H2178 VanDerWaalsContact C-CD2 3.43Å; M2139-H2178 PolarHBondContact O-CD2 3.32Å; M2139-P2179 VanDerWaalsContact O-CD 3.25Å; M2139-P2179 WeakPolarHBondContact O-CD 3.4Å; M2139-E2185 HydrophobicContact CE-CB 4.19Å; M2139-E2185 HydrophobicContact CE-CG 4.47Å; M2139-E2185 WeakPolarHBondContact CE-O 3.39Å; M2139-I2186 HydrophobicContact CB-CD1 3.84Å; M2139-I2186 HydrophobicContact CB-CG1 4.16Å; M2139-I2186 HydrophobicContact CE-CG1 4.23Å; M2139-I2186 HydrophobicContact CG-CD1 4.13Å; M2139-I2186 HydrophobicContact CG-CG1 4.12Å
2140T91.3Very high87Confident7 Ų746 Ų464%0.04323%0.226CC..  trans-132.2145.3173.861.40000111.1V2073 G2074 D2075 V2082 Y2138V2073-T2140 PolarHBondContact O-N 3.46Å; V2073-T2140 PolarHBondContact O-OG1 3.35Å; G2074-T2140 WeakPolarHBondContact CA-OG1 3.47Å; D2075-T2140 PolarHBondContact N-OG1 2.92Å; V2082-T2140 HydrophobicContact CG1-CG2 3.53Å; Y2138-T2140 HydrophobicContact CD1-CG2 3.97Å; Y2138-T2140 HydrophobicContact CE1-CG2 3.89Å
2141R89.3Confident86.6Confident60 Ų6052.2 Ų52.223%0.22625%0.254CS..  trans-70.6148.217280.7-179.2-167.6149.91.8111.3Q2143 E2145 H2178 P2181 E2185R2141-Q2143 HydrophobicContact CG-CG 4.32Å; R2141-Q2143 PolarHBondContact O-N 3.24Å; R2141-E2145 IonicContact CZ-OE1 2.64Å; R2141-E2145 IonicContact CZ-OE2 3.12Å; R2141-E2145 IonicContact NH2-OE1 2.9Å; R2141-E2145 PolarHBondContact NH2-OE1 3.01Å; R2141-E2145 IonicContact NH2-OE2 3.67Å; R2141-E2145 PolarHBondContact NH2-OE2 3.13Å; R2141-E2145 VanDerWaalsContact NH2-OE2 3.12Å; R2141-H2178 PolarHBondContact N-NE2 3.32Å; R2141-P2181 WeakPolarHBondContact CD-O 2.99Å; R2141-E2185 WeakPolarHBondContact CB-OE1 3.37Å
2142I87.4Confident86.4Confident17 Ų1755.2 Ų55.29%0.08727%0.271CS..  trans-71116.2164.2-53.4-54.7000108.6D2075 L2104 R2144 F2147 Y2153 C2156D2075-I2142 HydrophobicContact CB-CD1 4.02Å; L2104-I2142 HydrophobicContact CD1-CD1 3.73Å; L2104-I2142 HydrophobicContact CD1-CG2 4.15Å; I2142-R2144 PolarHBondContact O-N 2.96Å; I2142-F2147 HydrophobicContact CG2-CE2 3.55Å; I2142-F2147 HydrophobicContact CG2-CZ 3.74Å; I2142-Y2153 HydrophobicContact CB-CE2 4.26Å; I2142-Y2153 HydrophobicContact CG2-CD2 3.79Å; I2142-Y2153 HydrophobicContact CG2-CE2 3.86Å; I2142-C2156 HydrophobicContact CG2-CB 4.38Å
2143Q85Confident86.3Confident24 Ų2453.7 Ų53.711%0.11226%0.257CS..  trans-8087.3-174.5-66-175.23.600110.7D2075 N2078 R2141 E2145 R2146 F2147D2075-Q2143 PolarHBondContact OD2-N 2.79Å; N2078-Q2143 PolarHBondContact O-NE2 3.48Å; N2078-Q2143 PolarHBondContact O-OE1 3.37Å; R2141-Q2143 HydrophobicContact CG-CG 4.32Å; R2141-Q2143 PolarHBondContact O-N 3.24Å; Q2143-E2145 PolarHBondContact O-N 3.03Å; Q2143-R2146 HydrophobicContact CB-CB 4.19Å; Q2143-R2146 HydrophobicContact CB-CG 3.78Å; Q2143-R2146 PolarHBondContact O-N 3.46Å; Q2143-F2147 WeakPolarHBondContact O-CD2 3.41Å
2144R81.7Confident86.1Confident142 Ų14255.1 Ų55.154%0.53626%0.261SS..G310 helixtrans-47-38.6178.8-172.7177.8176.8-178.72112.9I2142 R2146 F2147 Y2153I2142-R2144 PolarHBondContact O-N 2.96Å; R2144-R2146 PolarHBondContact O-N 3.25Å; R2144-F2147 PolarHBondContact O-N 3.1Å; R2144-Y2153 HydrophobicContact CB-CD2 3.71Å; R2144-Y2153 HydrophobicContact CB-CE1 4.43Å; R2144-Y2153 HydrophobicContact CB-CE2 3.47Å; R2144-Y2153 VanDerWaalsContact CB-CE2 3.47Å; R2144-Y2153 HydrophobicContact CB-CG 4.28Å; R2144-Y2153 HydrophobicContact CG-CD1 3.99Å; R2144-Y2153 HydrophobicContact CG-CD2 3.87Å; R2144-Y2153 HydrophobicContact CG-CE1 4.04Å; R2144-Y2153 HydrophobicContact CG-CE2 3.91Å; R2144-Y2153 HydrophobicContact CG-CG 3.9Å
2145E80.3Confident85.6Confident99 Ų9961.3 Ų61.346%0.46329%0.287SS..G310 helixtrans-67.7-7.1-179.969.4-81.9-173.600115.5R2141 Q2143R2141-E2145 IonicContact CZ-OE1 2.64Å; R2141-E2145 IonicContact CZ-OE2 3.12Å; R2141-E2145 IonicContact NH2-OE1 2.9Å; R2141-E2145 PolarHBondContact NH2-OE1 3.01Å; R2141-E2145 IonicContact NH2-OE2 3.67Å; R2141-E2145 PolarHBondContact NH2-OE2 3.13Å; R2141-E2145 VanDerWaalsContact NH2-OE2 3.12Å; Q2143-E2145 PolarHBondContact O-N 3.03Å
2146R82.4Confident85Confident73 Ų7360.7 Ų60.728%0.27528%0.284SS..G310 helixtrans-105.63.3179.4-60.4-63.4-175.9-178.2-5.5113.8E1966 N2078 Q2143 R2144E1966-R2146 IonicContact OE1-NH2 2.79Å; N2078-R2146 HydrophobicContact CB-CB 4.13Å; N2078-R2146 HydrophobicContact CB-CG 3.99Å; Q2143-R2146 HydrophobicContact CB-CB 4.19Å; Q2143-R2146 HydrophobicContact CB-CG 3.78Å; Q2143-R2146 PolarHBondContact O-N 3.46Å; R2144-R2146 PolarHBondContact O-N 3.25Å
2147F81.4Confident84.2Confident39 Ų3962.9 Ų62.917%0.17130%0.299CS..  trans-93.6136.4174.1-71.9-101.7000110.4L2104 I2142 Q2143 R2144 N2149 D2152 Y2153 C2156L2104-F2147 HydrophobicContact CD1-CZ 3.91Å; L2104-F2147 HydrophobicContact CD2-CE1 4.3Å; L2104-F2147 HydrophobicContact CD2-CE2 4.46Å; L2104-F2147 HydrophobicContact CD2-CZ 3.78Å; L2104-F2147 HydrophobicContact CG-CZ 4.33Å; I2142-F2147 HydrophobicContact CG2-CE2 3.55Å; I2142-F2147 HydrophobicContact CG2-CZ 3.74Å; Q2143-F2147 WeakPolarHBondContact O-CD2 3.41Å; R2144-F2147 PolarHBondContact O-N 3.1Å; F2147-N2149 VanDerWaalsContact C-N 3.29Å; F2147-N2149 WeakPolarHBondContact CB-O 3.41Å; F2147-N2149 PolarHBondContact O-N 2.59Å; F2147-D2152 HydrophobicContact CD1-CB 3.88Å; F2147-D2152 HydrophobicContact CE1-CB 4.3Å; F2147-D2152 WeakPolarHBondContact CE1-O 3.42Å; F2147-Y2153 VanDerWaalsContact CD1-N 3.34Å; F2147-Y2153 HydrophobicContact CD2-CD2 4.04Å; F2147-Y2153 HydrophobicContact CD2-CG 4.49Å; F2147-Y2153 AromaticContact CE2-CD2 3.98Å; F2147-Y2153 HydrophobicContact CE2-CD2 3.98Å; F2147-C2156 HydrophobicContact CZ-CB 4.31Å
2148D79.4Confident83.1Confident175 Ų17565.3 Ų65.394%0.93633%0.325SS*.SBendtrans-68.9-29.1176.3-63.2-41.5000112.2
2149N82Confident82Confident67 Ų6772 Ų7236%0.35836%0.356SS..SBendtrans-138.3155.7178.668.961.7000111.3F2147 E2151 D2152F2147-N2149 VanDerWaalsContact C-N 3.29Å; F2147-N2149 WeakPolarHBondContact CB-O 3.41Å; F2147-N2149 PolarHBondContact O-N 2.59Å; N2149-E2151 PolarHBondContact OD1-N 3.28Å; N2149-D2152 PolarHBondContact ND2-OD2 3.37Å; N2149-D2152 WeakPolarHBondContact OD1-CB 3.5Å; N2149-D2152 VanDerWaalsContact OD1-CG 3.27Å; N2149-D2152 PolarHBondContact OD1-N 3.46Å; N2149-D2152 PolarHBondContact OD1-OD2 3.16Å
2150V81.7Confident81.6Confident72 Ų7273.3 Ų73.344%0.43636%0.363SS..Hα-helixtrans-74.2-29.5-174.9179.90000112.6D2152 Y2153 E2154V2150-D2152 PolarHBondContact O-N 2.81Å; V2150-Y2153 WeakPolarHBondContact O-CB 3.48Å; V2150-Y2153 PolarHBondContact O-N 3.47Å; V2150-E2154 HydrophobicContact CG1-CG 4.35Å; V2150-E2154 PolarHBondContact O-N 3.47Å
2151E80.8Confident81.4Confident135 Ų13575 Ų7563%0.63137%0.373SS*.Hα-helixtrans-64.4-41.3-177.9-67.4172.8-175.400112.3N2149 Y2153 E2154 K2155N2149-E2151 PolarHBondContact OD1-N 3.28Å; E2151-Y2153 VanDerWaalsContact C-N 3.29Å; E2151-Y2153 PolarHBondContact O-N 3.39Å; E2151-E2154 PolarHBondContact O-N 3.03Å; E2151-K2155 WeakPolarHBondContact O-CG 3.37Å; E2151-K2155 PolarHBondContact O-N 3.19Å
2152D80.7Confident81.4Confident65 Ų6572.1 Ų72.135%0.34836%0.362SS..Hα-helixtrans-69.6-29.6177.9-70.3-27.5000112.2F2147 N2149 V2150 K2155 C2156F2147-D2152 HydrophobicContact CD1-CB 3.88Å; F2147-D2152 HydrophobicContact CE1-CB 4.3Å; F2147-D2152 WeakPolarHBondContact CE1-O 3.42Å; N2149-D2152 PolarHBondContact ND2-OD2 3.37Å; N2149-D2152 WeakPolarHBondContact OD1-CB 3.5Å; N2149-D2152 VanDerWaalsContact OD1-CG 3.27Å; N2149-D2152 PolarHBondContact OD1-N 3.46Å; N2149-D2152 PolarHBondContact OD1-OD2 3.16Å; V2150-D2152 PolarHBondContact O-N 2.81Å; D2152-K2155 IonicContact OD1-NZ 3.54Å; D2152-K2155 PolarHBondContact OD1-NZ 2.92Å; D2152-C2156 PolarHBondContact O-SG 3.32Å
2153Y81.7Confident81.2Confident31 Ų3173.1 Ų73.112%0.12237%0.369CS..Hα-helixtrans-65.8-47.8169.8165.5-98.7000111.3I2142 R2144 F2147 V2150 E2151 K2155 C2156 C2157I2142-Y2153 HydrophobicContact CB-CE2 4.26Å; I2142-Y2153 HydrophobicContact CG2-CD2 3.79Å; I2142-Y2153 HydrophobicContact CG2-CE2 3.86Å; R2144-Y2153 HydrophobicContact CB-CD2 3.71Å; R2144-Y2153 HydrophobicContact CB-CE1 4.43Å; R2144-Y2153 HydrophobicContact CB-CE2 3.47Å; R2144-Y2153 VanDerWaalsContact CB-CE2 3.47Å; R2144-Y2153 HydrophobicContact CB-CG 4.28Å; R2144-Y2153 HydrophobicContact CG-CD1 3.99Å; R2144-Y2153 HydrophobicContact CG-CD2 3.87Å; R2144-Y2153 HydrophobicContact CG-CE1 4.04Å; R2144-Y2153 HydrophobicContact CG-CE2 3.91Å; R2144-Y2153 HydrophobicContact CG-CG 3.9Å; F2147-Y2153 VanDerWaalsContact CD1-N 3.34Å; F2147-Y2153 HydrophobicContact CD2-CD2 4.04Å; F2147-Y2153 HydrophobicContact CD2-CG 4.49Å; F2147-Y2153 AromaticContact CE2-CD2 3.98Å; F2147-Y2153 HydrophobicContact CE2-CD2 3.98Å; V2150-Y2153 WeakPolarHBondContact O-CB 3.48Å; V2150-Y2153 PolarHBondContact O-N 3.47Å; E2151-Y2153 VanDerWaalsContact C-N 3.29Å; E2151-Y2153 PolarHBondContact O-N 3.39Å; Y2153-K2155 VanDerWaalsContact C-N 3.32Å; Y2153-K2155 PolarHBondContact O-N 2.71Å; Y2153-C2156 PolarHBondContact O-N 3.24Å; Y2153-C2157 HydrophobicContact CE1-CB 4.29Å; Y2153-C2157 HydrophobicContact CE2-CB 4.43Å; Y2153-C2157 WeakPolarHBondContact O-CB 3.46Å; Y2153-C2157 PolarHBondContact O-N 3.02Å
2154E80.6Confident80.9Confident126 Ų12672.5 Ų72.559%0.58937%0.367SS*.Hα-helixtrans-62-37.7179.6-73.3179.7176.300112.4V2150 E2151 C2156 C2157V2150-E2154 HydrophobicContact CG1-CG 4.35Å; V2150-E2154 PolarHBondContact O-N 3.47Å; E2151-E2154 PolarHBondContact O-N 3.03Å; E2154-C2156 PolarHBondContact O-N 3.36Å; E2154-C2157 PolarHBondContact O-N 3.21Å
2155K80.7Confident80.7Confident131 Ų13170.2 Ų70.257%0.5736%0.362SS*.THydrogen-bonded Turntrans-61.2-24.2173.8-72.8174.3-162.4153.60114.1E2151 D2152 Y2153 H2159E2151-K2155 WeakPolarHBondContact O-CG 3.37Å; E2151-K2155 PolarHBondContact O-N 3.19Å; D2152-K2155 IonicContact OD1-NZ 3.54Å; D2152-K2155 PolarHBondContact OD1-NZ 2.92Å; Y2153-K2155 VanDerWaalsContact C-N 3.32Å; Y2153-K2155 PolarHBondContact O-N 2.71Å; K2155-H2159 PolarHBondContact O-CD2 2.99Å; K2155-H2159 VanDerWaalsContact O-CD2 3.23Å; K2155-H2159 PolarHBondContact O-NE2 3.36Å
2156C79.4Confident80.9Confident8 Ų866.7 Ų66.75%0.05435%0.346CS..THydrogen-bonded Turntrans-99.6-24.4-178.1-600000112.3P2101 S2103 L2104 I2142 F2147 D2152 Y2153 E2154P2101-C2156 HydrophobicContact CB-CB 4.43Å; P2101-C2156 HydrophobicContact CG-CB 4.24Å; S2103-C2156 PolarHBondContact OG-SG 3.07Å; L2104-C2156 HydrophobicContact CD1-CB 3.98Å; I2142-C2156 HydrophobicContact CG2-CB 4.38Å; F2147-C2156 HydrophobicContact CZ-CB 4.31Å; D2152-C2156 PolarHBondContact O-SG 3.32Å; Y2153-C2156 PolarHBondContact O-N 3.24Å; E2154-C2156 PolarHBondContact O-N 3.36Å
2157C77.1Confident80.9Confident46 Ų4663.3 Ų63.331%0.31133%0.333SS..THydrogen-bonded Turntrans-77.1135.9-174-1710000111.8Y2153 E2154Y2153-C2157 HydrophobicContact CE1-CB 4.29Å; Y2153-C2157 HydrophobicContact CE2-CB 4.43Å; Y2153-C2157 WeakPolarHBondContact O-CB 3.46Å; Y2153-C2157 PolarHBondContact O-N 3.02Å; E2154-C2157 PolarHBondContact O-N 3.21Å
2158G72.6Confident80.7Confident53 Ų5365 Ų6555%0.54634%0.343SS..THydrogen-bonded Turntrans89.6-6.6173.800000116.6
2159H73.4Confident80.7Confident141 Ų14162.9 Ų62.965%0.65332%0.321SS*.SBendtrans-80.6-30.4-179.7-70.5-61.5000114.8K2155K2155-H2159 PolarHBondContact O-CD2 2.99Å; K2155-H2159 VanDerWaalsContact O-CD2 3.23Å; K2155-H2159 PolarHBondContact O-NE2 3.36Å
2160L84.9Confident80.7Confident29 Ų2960.1 Ų60.115%0.15231%0.308CS..SBendtrans-11665.2-176.3-65.8172.7000110.4V2073 V2099 P2101V2073-L2160 HydrophobicContact CG1-CB 4.21Å; V2073-L2160 HydrophobicContact CG1-CD1 4.01Å; V2099-L2160 HydrophobicContact CG1-CD1 4.22Å; V2099-L2160 HydrophobicContact CG1-CD2 3.76Å; P2101-L2160 HydrophobicContact CG-CD1 4.44Å
2161V87Confident80.5Confident42 Ų4260.3 Ų60.326%0.25530%0.303SS..  trans-96119.8177.2-179.20000109.9T2163 H2166 N2184 E2185V2161-T2163 HydrophobicContact CG1-CG2 4.05Å; V2161-H2166 PolarHBondContact O-CE1 2.89Å; V2161-H2166 VanDerWaalsContact O-CE1 3.31Å; V2161-H2166 PolarHBondContact O-ND1 3.34Å; V2161-N2184 VanDerWaalsContact CG1-O 3.26Å; V2161-N2184 WeakPolarHBondContact CG1-O 3.24Å; V2161-N2184 WeakPolarHBondContact CG2-O 3.41Å; V2161-E2185 CarbonylContact C-O 3.41Å; V2161-E2185 WeakPolarHBondContact CA-O 3.42Å
2162L88.9Confident79.8Confident0 Ų060.6 Ų60.60%030%0.302CS..BIsolated β-bridgetrans-75.2126.5171.8-169.269.7000109.7L2127 L2137 M2139 H2166 M2167 V2176 E2185 I2186 S2187 I2190L2127-L2162 HydrophobicContact CD2-CD1 3.73Å; L2137-L2162 HydrophobicContact CD2-CD1 3.5Å; L2137-L2162 HydrophobicContact CD2-CD2 3.65Å; L2137-L2162 HydrophobicContact CD2-CG 4.19Å; M2139-L2162 HydrophobicContact CE-CB 4Å; M2139-L2162 HydrophobicContact CG-CD2 4.31Å; M2139-L2162 HydrophobicContact SD-CB 4.41Å; L2162-H2166 HydrophobicContact CD1-CB 3.92Å; L2162-M2167 HydrophobicContact CD1-CG 4.46Å; L2162-M2167 HydrophobicContact CD1-SD 3.88Å; L2162-M2167 HydrophobicContact CD2-SD 3.92Å; L2162-M2167 HydrophobicContact CG-CG 4.43Å; L2162-M2167 HydrophobicContact CG-SD 4.13Å; L2162-V2176 HydrophobicContact CD2-CB 4.41Å; L2162-V2176 HydrophobicContact CD2-CG1 3.65Å; L2162-V2176 HydrophobicContact CD2-CG2 3.84Å; L2162-E2185 PolarHBondContact N-O 3.06Å; L2162-I2186 HydrophobicContact CB-CG1 4.42Å; L2162-S2187 WeakPolarHBondContact O-CB 3.33Å; L2162-S2187 PolarHBondContact O-N 2.84Å; L2162-I2190 VanDerWaalsContact C-CD1 3.48Å; L2162-I2190 HydrophobicContact CB-CD1 3.91Å; L2162-I2190 HydrophobicContact CD2-CD1 3.65Å; L2162-I2190 HydrophobicContact CG-CD1 3.42Å; L2162-I2190 VanDerWaalsContact CG-CD1 3.42Å; L2162-I2190 VanDerWaalsContact O-CD1 3.26Å; L2162-I2190 WeakPolarHBondContact O-CD1 3.44Å
2163T84.3Confident79.4Confident37 Ų3761.3 Ų61.323%0.22730%0.3CS..  trans-129.1164.8179.868.60000110.8V2161 E2165 H2166 M2167V2161-T2163 HydrophobicContact CG1-CG2 4.05Å; T2163-E2165 PolarHBondContact O-N 3.21Å; T2163-H2166 PolarHBondContact N-ND1 3.26Å; T2163-H2166 VanDerWaalsContact O-CB 3.31Å; T2163-H2166 WeakPolarHBondContact O-CB 3.29Å; T2163-H2166 PolarHBondContact O-N 3.03Å; T2163-H2166 PolarHBondContact OG1-ND1 2.89Å; T2163-M2167 PolarHBondContact O-N 3.41Å
2164P77.2Confident79.6Confident12 Ų1260 Ų608%0.07830%0.295CS..Hα-helixtrans-55.3-35.7176.2-28.836.9000114.2H2166 M2167 M2168 E2189 I2190P2164-H2166 VanDerWaalsContact C-N 3.3Å; P2164-H2166 PolarHBondContact O-N 2.99Å; P2164-M2167 PolarHBondContact O-N 2.78Å; P2164-M2167 VanDerWaalsContact O-N 3.07Å; P2164-M2168 PolarHBondContact O-N 3.3Å; P2164-M2168 VanDerWaalsContact O-N 3.09Å; P2164-E2189 HydrophobicContact CG-CB 3.79Å; P2164-E2189 WeakPolarHBondContact CG-OE2 3.48Å; P2164-I2190 HydrophobicContact CG-CG1 4.44Å
2165E78.6Confident80.2Confident93 Ų9354.3 Ų54.344%0.43527%0.269SS..Hα-helixtrans-58.5-41.3174.9-171.7-163.215700111.9K2128 T2163 M2167 M2168K2128-E2165 IonicContact NZ-OE1 3.61Å; T2163-E2165 PolarHBondContact O-N 3.21Å; E2165-M2167 VanDerWaalsContact C-N 3.35Å; E2165-M2168 PolarHBondContact O-N 3.4Å
2166H84.1Confident80.8Confident26 Ų2648 Ų4812%0.1224%0.242CC..Hα-helixtrans-63.1-44.6174.5-68.6100.8000110.8K2128 L2131 V2161 L2162 T2163 P2164 M2168 R2169 A2170K2128-H2166 WeakPolarHBondContact CE-NE2 3.37Å; L2131-H2166 HydrophobicContact CD1-CB 3.71Å; V2161-H2166 PolarHBondContact O-CE1 2.89Å; V2161-H2166 VanDerWaalsContact O-CE1 3.31Å; V2161-H2166 PolarHBondContact O-ND1 3.34Å; L2162-H2166 HydrophobicContact CD1-CB 3.92Å; T2163-H2166 PolarHBondContact N-ND1 3.26Å; T2163-H2166 VanDerWaalsContact O-CB 3.31Å; T2163-H2166 WeakPolarHBondContact O-CB 3.29Å; T2163-H2166 PolarHBondContact O-N 3.03Å; T2163-H2166 PolarHBondContact OG1-ND1 2.89Å; P2164-H2166 VanDerWaalsContact C-N 3.3Å; P2164-H2166 PolarHBondContact O-N 2.99Å; H2166-M2168 PolarHBondContact O-N 3.03Å; H2166-R2169 PolarHBondContact O-N 3.27Å; H2166-A2170 PolarHBondContact O-N 2.79Å
2167M83.2Confident81.6Confident1 Ų147.7 Ų47.71%0.00524%0.239CC..Hα-helixtrans-65-23.4-177.9-67.2-56.2-59.900113.1L2162 T2163 P2164 E2165 R2169 A2170 V2176 I2190 R2195L2162-M2167 HydrophobicContact CD1-CG 4.46Å; L2162-M2167 HydrophobicContact CD1-SD 3.88Å; L2162-M2167 HydrophobicContact CD2-SD 3.92Å; L2162-M2167 HydrophobicContact CG-CG 4.43Å; L2162-M2167 HydrophobicContact CG-SD 4.13Å; T2163-M2167 PolarHBondContact O-N 3.41Å; P2164-M2167 PolarHBondContact O-N 2.78Å; P2164-M2167 VanDerWaalsContact O-N 3.07Å; E2165-M2167 VanDerWaalsContact C-N 3.35Å; M2167-R2169 VanDerWaalsContact C-N 3.28Å; M2167-R2169 PolarHBondContact O-N 2.78Å; M2167-A2170 HydrophobicContact CE-CB 4.15Å; M2167-A2170 WeakPolarHBondContact O-CB 3.42Å; M2167-A2170 PolarHBondContact O-N 2.86Å; M2167-A2170 HydrophobicContact SD-CB 4.4Å; M2167-V2176 HydrophobicContact CE-CG2 3.61Å; M2167-V2176 HydrophobicContact SD-CG2 3.73Å; M2167-I2190 HydrophobicContact CG-CD1 4.14Å; M2167-R2195 HydrophobicContact CE-CB 3.96Å; M2167-R2195 HydrophobicContact CE-CG 4.5Å; M2167-R2195 PolarHBondContact O-NH1 3.32Å; M2167-R2195 PolarHBondContact O-NH2 2.87Å
2168M75.5Confident82.4Confident75 Ų7545.6 Ų45.637%0.36923%0.225SC..Hα-helixtrans-66-28.1170.8-69.3-147.3-48.300114.3K895 S896 P2164 E2165 H2166 A2170K895-M2168 WeakPolarHBondContact CA-SD 3.34Å; K895-M2168 HydrophobicContact CB-CE 3.3Å; K895-M2168 HydrophobicContact CB-SD 4.16Å; K895-M2168 HydrophobicContact CD-CE 4.46Å; K895-M2168 HydrophobicContact CG-CE 3.75Å; S896-M2168 PolarHBondContact N-SD 3Å; P2164-M2168 PolarHBondContact O-N 3.3Å; P2164-M2168 VanDerWaalsContact O-N 3.09Å; E2165-M2168 PolarHBondContact O-N 3.4Å; H2166-M2168 PolarHBondContact O-N 3.03Å; M2168-A2170 VanDerWaalsContact C-N 3.33Å
2169R80.2Confident83.3Confident130 Ų13043.9 Ų43.949%0.49120%0.204SC..Hα-helixtrans-83.2-16.2174.8-63.9-174.1176.3-159.3-2112.4L2131 P2132 H2166 M2167L2131-R2169 HydrophobicContact CB-CB 4.49Å; P2132-R2169 WeakPolarHBondContact CA-O 3.25Å; H2166-R2169 PolarHBondContact O-N 3.27Å; M2167-R2169 VanDerWaalsContact C-N 3.28Å; M2167-R2169 PolarHBondContact O-N 2.78Å
2170A83.1Confident84Confident10 Ų1038.5 Ų38.58%0.08318%0.18CC..SBendtrans-74.5154.1176.800000110.2L2131 H2166 M2167 M2168 S2174L2131-A2170 HydrophobicContact CD2-CB 4.17Å; H2166-A2170 PolarHBondContact O-N 2.79Å; M2167-A2170 HydrophobicContact CE-CB 4.15Å; M2167-A2170 WeakPolarHBondContact O-CB 3.42Å; M2167-A2170 PolarHBondContact O-N 2.86Å; M2167-A2170 HydrophobicContact SD-CB 4.4Å; M2168-A2170 VanDerWaalsContact C-N 3.33Å; A2170-S2174 WeakPolarHBondContact CB-OG 3.33Å
2171K76.3Confident84.2Confident75 Ų7539.7 Ų39.733%0.32619%0.189SC..  trans-56.5144.3171.5-61178.3-174.9168.40109.8P2132 D2133 D2135 R2173 S2174 R2195P2132-K2171 WeakPolarHBondContact O-CE 3.38Å; P2132-K2171 WeakPolarHBondContact O-CG 3.21Å; D2133-K2171 WeakPolarHBondContact O-CE 3.23Å; D2133-K2171 PolarHBondContact O-NZ 2.73Å; D2135-K2171 VanDerWaalsContact OD1-CD 3.3Å; D2135-K2171 WeakPolarHBondContact OD1-CD 3.36Å; D2135-K2171 IonicContact OD1-NZ 3.48Å; D2135-K2171 PolarHBondContact OD1-NZ 3.34Å; D2135-K2171 IonicContact OD2-NZ 3.93Å; D2135-K2171 PolarHBondContact OD2-NZ 2.94Å; K2171-R2173 PolarHBondContact O-N 2.84Å; K2171-R2173 VanDerWaalsContact O-N 3.15Å; K2171-S2174 WeakPolarHBondContact O-CB 3.39Å; K2171-S2174 PolarHBondContact O-N 2.8Å; K2171-S2174 PolarHBondContact O-OG 2.81Å; K2171-R2195 PolarHBondContact O-NH1 2.86Å
2172K66.7Low84.1Confident142 Ų14240 Ų4062%0.61719%0.186SC*.THydrogen-bonded Turntrans-58-29.8176.8-167.6178.8176.7-173.10112.8E1134 R2195E1134-K2172 VanDerWaalsContact OE1-CD 3.24Å; E1134-K2172 WeakPolarHBondContact OE1-CD 3.09Å; E1134-K2172 IonicContact OE1-NZ 2.73Å; E1134-K2172 PolarHBondContact OE1-NZ 3.33Å; E1134-K2172 WeakPolarHBondContact OE2-CD 3.36Å; E1134-K2172 IonicContact OE2-NZ 3.5Å; E1134-K2172 PolarHBondContact OE2-NZ 3.08Å; K2172-R2195 WeakPolarHBondContact O-CD 3.32Å
2173R71.4Confident83.9Confident80 Ų8043.8 Ų43.830%0.30221%0.206SC..THydrogen-bonded Turntrans-90.9-4174.6-80.7-176164-129.3-26.3115.3Y1105 F2062 K2171 I2175Y1105-R2173 VanDerWaalsContact CE2-CZ 3.42Å; Y1105-R2173 PolarHBondContact OH-NH2 2.97Å; F2062-R2173 HydrophobicContact CE1-CB 4.34Å; F2062-R2173 WeakPolarHBondContact CE1-O 3.19Å; F2062-R2173 WeakPolarHBondContact CZ-O 3.26Å; K2171-R2173 PolarHBondContact O-N 2.84Å; K2171-R2173 VanDerWaalsContact O-N 3.15Å; R2173-I2175 PolarHBondContact O-N 2.9Å
2174S87.1Confident83.8Confident2 Ų247.8 Ų47.81%0.01423%0.226CC..  trans-59.7140.2-179.768.80000109.3D2135 A2170 K2171 R2195D2135-S2174 CarbonylContact O-C 3.55Å; D2135-S2174 WeakPolarHBondContact O-CA 3.49Å; A2170-S2174 WeakPolarHBondContact CB-OG 3.33Å; K2171-S2174 WeakPolarHBondContact O-CB 3.39Å; K2171-S2174 PolarHBondContact O-N 2.8Å; K2171-S2174 PolarHBondContact O-OG 2.81Å; S2174-R2195 WeakPolarHBondContact O-CB 3.28Å; S2174-R2195 VanDerWaalsContact O-CD 3.29Å; S2174-R2195 WeakPolarHBondContact O-CD 3.33Å; S2174-R2195 WeakPolarHBondContact O-CG 3.43Å
2175I91.9Very high84.4Confident7 Ų748.1 Ų48.14%0.03623%0.226CC..EExtended strand (participates in β ladder)trans-108.6145.7171.970.1-175.8000110.8I2058 E2061 F2062 D2135 V2136 L2137 R2173 L2177 R2195 A2197I2058-I2175 HydrophobicContact CG1-CD1 4.39Å; E2061-I2175 HydrophobicContact CB-CD1 3.85Å; E2061-I2175 HydrophobicContact CB-CG2 3.95Å; E2061-I2175 HydrophobicContact CG-CD1 3.84Å; E2061-I2175 HydrophobicContact CG-CG2 4.14Å; F2062-I2175 HydrophobicContact CD2-CD1 4.13Å; F2062-I2175 HydrophobicContact CE2-CB 4.38Å; F2062-I2175 HydrophobicContact CE2-CD1 3.65Å; F2062-I2175 HydrophobicContact CE2-CG1 3.75Å; F2062-I2175 HydrophobicContact CE2-CG2 3.97Å; F2062-I2175 HydrophobicContact CZ-CG1 4.48Å; F2062-I2175 HydrophobicContact CZ-CG2 4.27Å; D2135-I2175 PolarHBondContact O-N 2.89Å; V2136-I2175 HydrophobicContact CB-CG1 4.42Å; V2136-I2175 HydrophobicContact CG1-CD1 4.39Å; V2136-I2175 HydrophobicContact CG1-CG1 4.07Å; V2136-I2175 HydrophobicContact CG2-CD1 4.3Å; V2136-I2175 HydrophobicContact CG2-CG1 4.19Å; L2137-I2175 PolarHBondContact N-O 2.88Å; R2173-I2175 PolarHBondContact O-N 2.9Å; I2175-L2177 HydrophobicContact CD1-CD1 4.21Å; I2175-L2177 HydrophobicContact CD1-CD2 4.03Å; I2175-L2177 HydrophobicContact CD1-CG 4.09Å; I2175-L2177 HydrophobicContact CG1-CD2 4.38Å; I2175-L2177 HydrophobicContact CG1-CG 4.16Å; I2175-R2195 CarbonylContact C-O 3.57Å; I2175-R2195 WeakPolarHBondContact CA-O 3.32Å; I2175-A2197 HydrophobicContact CB-CB 4.02Å; I2175-A2197 HydrophobicContact CG2-CB 4.5Å
2176V93.8Very high84.9Confident0 Ų043.9 Ų43.90%021%0.207CC..EExtended strand (participates in β ladder)trans-100.6115.1172.3-172.70000108.3L2137 M2139 L2162 M2167 I2186 R2195 A2197 Y2198L2137-V2176 HydrophobicContact CD2-CG2 4.37Å; L2137-V2176 CarbonylContact O-C 3.51Å; L2137-V2176 WeakPolarHBondContact O-CA 3.49Å; M2139-V2176 HydrophobicContact CG-CG1 4.09Å; L2162-V2176 HydrophobicContact CD2-CB 4.41Å; L2162-V2176 HydrophobicContact CD2-CG1 3.65Å; L2162-V2176 HydrophobicContact CD2-CG2 3.84Å; M2167-V2176 HydrophobicContact CE-CG2 3.61Å; M2167-V2176 HydrophobicContact SD-CG2 3.73Å; V2176-I2186 HydrophobicContact CG1-CD1 4.29Å; V2176-R2195 PolarHBondContact N-O 2.66Å; V2176-A2197 PolarHBondContact O-N 2.93Å; V2176-Y2198 HydrophobicContact CB-CD1 4.44Å; V2176-Y2198 HydrophobicContact CG1-CD1 4.19Å; V2176-Y2198 HydrophobicContact CG1-CE1 4.27Å; V2176-Y2198 PolarHBondContact O-N 2.81Å
2177L95.9Very high85Confident0 Ų044 Ų440%021%0.21CC..EExtended strand (participates in β ladder)trans-104.4146.8173.1-61.9-177.5000109.7T2057 I2058 V2136 L2137 Y2138 M2139 I2175 A2197 Q2201T2057-L2177 HydrophobicContact CG2-CD2 3.63Å; I2058-L2177 HydrophobicContact CD1-CD1 4.21Å; I2058-L2177 HydrophobicContact CG1-CD1 3.73Å; V2136-L2177 HydrophobicContact CG1-CD1 3.63Å; V2136-L2177 HydrophobicContact CG1-CG 4.07Å; L2137-L2177 PolarHBondContact O-N 2.86Å; Y2138-L2177 HydrophobicContact CD2-CB 3.62Å; Y2138-L2177 HydrophobicContact CD2-CD1 4.07Å; Y2138-L2177 HydrophobicContact CD2-CG 4.5Å; Y2138-L2177 HydrophobicContact CE2-CB 4.13Å; Y2138-L2177 HydrophobicContact CG-CB 4.4Å; M2139-L2177 PolarHBondContact N-O 2.87Å; I2175-L2177 HydrophobicContact CD1-CD1 4.21Å; I2175-L2177 HydrophobicContact CD1-CD2 4.03Å; I2175-L2177 HydrophobicContact CD1-CG 4.09Å; I2175-L2177 HydrophobicContact CG1-CD2 4.38Å; I2175-L2177 HydrophobicContact CG1-CG 4.16Å; L2177-A2197 HydrophobicContact CD2-CB 3.75Å; L2177-Q2201 HydrophobicContact CD2-CB 4.14Å; L2177-Q2201 HydrophobicContact CD2-CG 4.28Å
2178H94.4Very high84.9Confident2 Ų253.4 Ų53.41%0.00925%0.246CC..  trans-156.2122.1178.3-171-86.2000109.3M2139 R2141 L2180 P2181 E2185 I2186 Y2198 Q2201M2139-H2178 VanDerWaalsContact C-CD2 3.43Å; M2139-H2178 PolarHBondContact O-CD2 3.32Å; R2141-H2178 PolarHBondContact N-NE2 3.32Å; H2178-L2180 VanDerWaalsContact CE1-CA 3.45Å; H2178-L2180 WeakPolarHBondContact CE1-CA 3.48Å; H2178-L2180 PolarHBondContact CE1-N 3.36Å; H2178-L2180 WeakPolarHBondContact ND1-CA 3.31Å; H2178-L2180 PolarHBondContact ND1-N 3.01Å; H2178-L2180 PolarHBondContact O-N 2.93Å; H2178-P2181 PolarHBondContact CE1-O 2.89Å; H2178-E2185 IonicContact CE1-OE1 3.38Å; H2178-E2185 PolarHBondContact CE1-OE1 2.71Å; H2178-E2185 IonicContact NE2-OE1 3.9Å; H2178-E2185 PolarHBondContact NE2-OE1 3.38Å; H2178-I2186 HydrophobicContact CB-CD1 3.74Å; H2178-Y2198 HydrophobicContact CB-CD1 4.31Å; H2178-Y2198 HydrophobicContact CB-CG 4.19Å; H2178-Q2201 PolarHBondContact O-OE1 2.96Å; H2178-Q2201 VanDerWaalsContact O-OE1 3.09Å
2179P90.5Very high84.9Confident18 Ų1855.7 Ų55.712%0.11726%0.256CS..  trans-69.2-7.7-176.928.5-33.9000113.6R1970 T2081 Y2138 M2139R1970-P2179 VanDerWaalsContact CZ-O 3.31Å; R1970-P2179 PolarHBondContact NE-O 3.03Å; R1970-P2179 PolarHBondContact NH2-O 3.14Å; T2081-P2179 HydrophobicContact CG2-CB 4.15Å; Y2138-P2179 HydrophobicContact CE1-CG 4.17Å; M2139-P2179 VanDerWaalsContact O-CD 3.25Å; M2139-P2179 WeakPolarHBondContact O-CD 3.4Å
2180L89.9Confident85Confident27 Ų2749.6 Ų49.614%0.14123%0.233CC..SBendtrans61.9171.2-178.6-68.7168.4000111.7R1970 H2178 R2182 F2199R1970-L2180 VanDerWaalsContact NH1-CB 3.26Å; R1970-L2180 PolarHBondContact NH2-O 3.18Å; H2178-L2180 VanDerWaalsContact CE1-CA 3.45Å; H2178-L2180 WeakPolarHBondContact CE1-CA 3.48Å; H2178-L2180 PolarHBondContact CE1-N 3.36Å; H2178-L2180 WeakPolarHBondContact ND1-CA 3.31Å; H2178-L2180 PolarHBondContact ND1-N 3.01Å; H2178-L2180 PolarHBondContact O-N 2.93Å; L2180-R2182 HydrophobicContact CD2-CB 4.03Å; L2180-R2182 HydrophobicContact CD2-CG 4.04Å; L2180-F2199 HydrophobicContact CD1-CD1 4.45Å; L2180-F2199 HydrophobicContact CD1-CE1 4.42Å
2181P87.2Confident84.9Confident54 Ų5452 Ų5235%0.35124%0.244SC..  cis-65.3141.7-14.133-34.1000109.5R1970 R2141 H2178R1970-P2181 VanDerWaalsContact NH2-CD 3.32Å; R2141-P2181 WeakPolarHBondContact CD-O 2.99Å; H2178-P2181 PolarHBondContact CE1-O 2.89Å
2182R86.4Confident84.6Confident48 Ų4849.4 Ų49.418%0.18124%0.235CC..  trans-80.7145.2170.267.3175.9179.5-175.2-6110.3L2180 E2185 D2191 Y2198L2180-R2182 HydrophobicContact CD2-CB 4.03Å; L2180-R2182 HydrophobicContact CD2-CG 4.04Å; R2182-E2185 WeakPolarHBondContact CA-OE1 3.44Å; R2182-E2185 WeakPolarHBondContact CB-OE1 3.48Å; R2182-D2191 IonicContact CZ-OD1 3.77Å; R2182-D2191 VanDerWaalsContact CZ-OD1 3.27Å; R2182-D2191 IonicContact CZ-OD2 3.95Å; R2182-D2191 VanDerWaalsContact NH1-CG 3.27Å; R2182-D2191 IonicContact NH1-OD1 3Å; R2182-D2191 PolarHBondContact NH1-OD1 2.89Å; R2182-D2191 IonicContact NH1-OD2 3.85Å; R2182-D2191 PolarHBondContact NH1-OD2 3.12Å; R2182-D2191 IonicContact NH2-OD1 3.38Å; R2182-D2191 PolarHBondContact NH2-OD1 3.19Å; R2182-D2191 IonicContact NH2-OD2 2.71Å; R2182-D2191 PolarHBondContact NH2-OD2 3.49Å; R2182-Y2198 PolarHBondContact NH1-OH 2.68Å
2183L83.7Confident85.1Confident81 Ų8142.9 Ų42.942%0.42421%0.207SC..  trans-105.1-94.1170.3-62.7174.2000109.4E2185L2183-E2185 WeakPolarHBondContact CA-OE2 3.09Å; L2183-E2185 WeakPolarHBondContact CB-OE2 3.47Å; L2183-E2185 PolarHBondContact N-OE1 3.03Å; L2183-E2185 PolarHBondContact N-OE2 2.64Å
2184N83.1Confident85.2Confident120 Ų12041 Ų4164%0.64221%0.206SC*.SBendtrans-122.1-1.8-177.4-68.8-7.3000112.8V2161 I2186V2161-N2184 VanDerWaalsContact CG1-O 3.26Å; V2161-N2184 WeakPolarHBondContact CG1-O 3.24Å; V2161-N2184 WeakPolarHBondContact CG2-O 3.41Å; N2184-I2186 VanDerWaalsContact C-N 3.26Å; N2184-I2186 PolarHBondContact O-N 3.25Å
2185E89.5Confident85.1Confident20 Ų2042.5 Ų42.59%0.09321%0.211CC..SBendtrans-71.4-17-178.565.7-77.5-179.700113.8M2139 R2141 V2161 L2162 H2178 R2182 L2183M2139-E2185 HydrophobicContact CE-CB 4.19Å; M2139-E2185 HydrophobicContact CE-CG 4.47Å; M2139-E2185 WeakPolarHBondContact CE-O 3.39Å; R2141-E2185 WeakPolarHBondContact CB-OE1 3.37Å; V2161-E2185 CarbonylContact C-O 3.41Å; V2161-E2185 WeakPolarHBondContact CA-O 3.42Å; L2162-E2185 PolarHBondContact N-O 3.06Å; H2178-E2185 IonicContact CE1-OE1 3.38Å; H2178-E2185 PolarHBondContact CE1-OE1 2.71Å; H2178-E2185 IonicContact NE2-OE1 3.9Å; H2178-E2185 PolarHBondContact NE2-OE1 3.38Å; R2182-E2185 WeakPolarHBondContact CA-OE1 3.44Å; R2182-E2185 WeakPolarHBondContact CB-OE1 3.48Å; L2183-E2185 WeakPolarHBondContact CA-OE2 3.09Å; L2183-E2185 WeakPolarHBondContact CB-OE2 3.47Å; L2183-E2185 PolarHBondContact N-OE1 3.03Å; L2183-E2185 PolarHBondContact N-OE2 2.64Å
2186I90.1Very high85Confident3 Ų342.5 Ų42.52%0.01521%0.212CC..BIsolated β-bridgetrans-127.2120.3172.4-63.5169.9000107.1M2139 L2162 V2176 H2178 N2184 I2190 Y2198M2139-I2186 HydrophobicContact CB-CD1 3.84Å; M2139-I2186 HydrophobicContact CB-CG1 4.16Å; M2139-I2186 HydrophobicContact CE-CG1 4.23Å; M2139-I2186 HydrophobicContact CG-CD1 4.13Å; M2139-I2186 HydrophobicContact CG-CG1 4.12Å; L2162-I2186 HydrophobicContact CB-CG1 4.42Å; V2176-I2186 HydrophobicContact CG1-CD1 4.29Å; H2178-I2186 HydrophobicContact CB-CD1 3.74Å; N2184-I2186 VanDerWaalsContact C-N 3.26Å; N2184-I2186 PolarHBondContact O-N 3.25Å; I2186-I2190 HydrophobicContact CG2-CB 4.09Å; I2186-I2190 HydrophobicContact CG2-CD1 4.15Å; I2186-I2190 HydrophobicContact CG2-CG2 4.27Å; I2186-Y2198 HydrophobicContact CD1-CD1 4.46Å; I2186-Y2198 HydrophobicContact CD1-CE1 4.38Å; I2186-Y2198 HydrophobicContact CG2-CE1 4.35Å
2187S85.4Confident84.8Confident29 Ų2942.5 Ų42.520%0.20321%0.212CC..  trans-58.1138.2171.71790000110.3L2162 E2189 I2190L2162-S2187 WeakPolarHBondContact O-CB 3.33Å; L2162-S2187 PolarHBondContact O-N 2.84Å; S2187-E2189 PolarHBondContact O-N 2.91Å; S2187-E2189 PolarHBondContact OG-N 2.9Å; S2187-I2190 WeakPolarHBondContact O-CB 3.32Å; S2187-I2190 PolarHBondContact O-N 3.24Å; S2187-I2190 VanDerWaalsContact O-N 3.08Å
2188R80.9Confident84.7Confident199 Ų19942.5 Ų42.575%0.75121%0.212SC*.G310 helixtrans-63.1-25.3177.7-65.8-173.8-178.3-176.60.8112.7I2190 D2191R2188-I2190 PolarHBondContact O-N 3.46Å; R2188-I2190 VanDerWaalsContact O-N 3.11Å; R2188-D2191 WeakPolarHBondContact O-CB 3.35Å; R2188-D2191 PolarHBondContact O-N 3.13Å
2189E74.7Confident84.5Confident123 Ų12347.8 Ų47.858%0.57524%0.235SC*.G310 helixtrans-59.7-20174.8-65.2169.7-175.400112.9P2164 S2187 D2191 S2192P2164-E2189 HydrophobicContact CG-CB 3.79Å; P2164-E2189 WeakPolarHBondContact CG-OE2 3.48Å; S2187-E2189 PolarHBondContact O-N 2.91Å; S2187-E2189 PolarHBondContact OG-N 2.9Å; E2189-D2191 VanDerWaalsContact C-N 3.28Å; E2189-D2191 PolarHBondContact O-N 3.07Å; E2189-S2192 PolarHBondContact O-OG 3.49Å
2190I84Confident84.4Confident2 Ų249.5 Ų49.51%0.0124%0.239CC..G310 helixtrans-75.3-17.4177-63.9-178.7000111.9L2162 P2164 M2167 I2186 S2187 R2188 S2192 D2193 A2196L2162-I2190 VanDerWaalsContact C-CD1 3.48Å; L2162-I2190 HydrophobicContact CB-CD1 3.91Å; L2162-I2190 HydrophobicContact CD2-CD1 3.65Å; L2162-I2190 HydrophobicContact CG-CD1 3.42Å; L2162-I2190 VanDerWaalsContact CG-CD1 3.42Å; L2162-I2190 VanDerWaalsContact O-CD1 3.26Å; L2162-I2190 WeakPolarHBondContact O-CD1 3.44Å; P2164-I2190 HydrophobicContact CG-CG1 4.44Å; M2167-I2190 HydrophobicContact CG-CD1 4.14Å; I2186-I2190 HydrophobicContact CG2-CB 4.09Å; I2186-I2190 HydrophobicContact CG2-CD1 4.15Å; I2186-I2190 HydrophobicContact CG2-CG2 4.27Å; S2187-I2190 WeakPolarHBondContact O-CB 3.32Å; S2187-I2190 PolarHBondContact O-N 3.24Å; S2187-I2190 VanDerWaalsContact O-N 3.08Å; R2188-I2190 PolarHBondContact O-N 3.46Å; R2188-I2190 VanDerWaalsContact O-N 3.11Å; I2190-S2192 PolarHBondContact O-N 3.28Å; I2190-D2193 HydrophobicContact CG2-CB 4.36Å; I2190-D2193 WeakPolarHBondContact O-CB 3.48Å; I2190-D2193 PolarHBondContact O-N 3Å; I2190-A2196 HydrophobicContact CG2-CB 4.2Å; I2190-A2196 WeakPolarHBondContact O-CB 3.4Å
2191D80.1Confident84.6Confident61 Ų6148.3 Ų48.333%0.32623%0.233SC..G310 helixtrans-58.5-32179.4-74.1-23.2000113.5R2182 R2188 E2189 D2193 Y2198R2182-D2191 IonicContact CZ-OD1 3.77Å; R2182-D2191 VanDerWaalsContact CZ-OD1 3.27Å; R2182-D2191 IonicContact CZ-OD2 3.95Å; R2182-D2191 VanDerWaalsContact NH1-CG 3.27Å; R2182-D2191 IonicContact NH1-OD1 3Å; R2182-D2191 PolarHBondContact NH1-OD1 2.89Å; R2182-D2191 IonicContact NH1-OD2 3.85Å; R2182-D2191 PolarHBondContact NH1-OD2 3.12Å; R2182-D2191 IonicContact NH2-OD1 3.38Å; R2182-D2191 PolarHBondContact NH2-OD1 3.19Å; R2182-D2191 IonicContact NH2-OD2 2.71Å; R2182-D2191 PolarHBondContact NH2-OD2 3.49Å; R2188-D2191 WeakPolarHBondContact O-CB 3.35Å; R2188-D2191 PolarHBondContact O-N 3.13Å; E2189-D2191 VanDerWaalsContact C-N 3.28Å; E2189-D2191 PolarHBondContact O-N 3.07Å; D2191-D2193 VanDerWaalsContact C-N 3.29Å; D2191-Y2198 WeakPolarHBondContact OD1-CE2 3.16Å; D2191-Y2198 PolarHBondContact OD1-OH 2.62Å
2192S70Confident84.7Confident19 Ų1947.4 Ų47.413%0.13323%0.23CC..G310 helixtrans-76.7-18.3177.262.60000112L899 H903 E2189 I2190L899-S2192 WeakPolarHBondContact CD1-O 3.42Å; H903-S2192 WeakPolarHBondContact CD2-CB 3.36Å; H903-S2192 VanDerWaalsContact NE2-CB 3.25Å; H903-S2192 WeakPolarHBondContact NE2-CB 3.13Å; E2189-S2192 PolarHBondContact O-OG 3.49Å; I2190-S2192 PolarHBondContact O-N 3.28Å
2193D77.3Confident84.9Confident6 Ų649.2 Ų49.23%0.03224%0.241CC..SBendtrans-70.7125.4179.2-165-49.9000110.2I2190 D2191 R2195 A2196I2190-D2193 HydrophobicContact CG2-CB 4.36Å; I2190-D2193 WeakPolarHBondContact O-CB 3.48Å; I2190-D2193 PolarHBondContact O-N 3Å; D2191-D2193 VanDerWaalsContact C-N 3.29Å; D2193-R2195 PolarHBondContact O-N 3.02Å; D2193-R2195 WeakPolarHBondContact OD1-CB 3.45Å; D2193-R2195 VanDerWaalsContact OD1-CG 3.25Å; D2193-R2195 WeakPolarHBondContact OD1-CG 3.14Å; D2193-R2195 IonicContact OD1-CZ 2.62Å; D2193-R2195 PolarHBondContact OD1-N 3.4Å; D2193-R2195 IonicContact OD1-NE 3.78Å; D2193-R2195 PolarHBondContact OD1-NE 3.15Å; D2193-R2195 IonicContact OD1-NH2 2.94Å; D2193-R2195 IonicContact OD2-CZ 2.72Å; D2193-R2195 IonicContact OD2-NE 3.87Å; D2193-R2195 PolarHBondContact OD2-NE 3.48Å; D2193-R2195 VanDerWaalsContact OD2-NE 3.17Å; D2193-R2195 IonicContact OD2-NH2 3.94Å; D2193-R2195 PolarHBondContact OD2-NH2 3.3Å; D2193-A2196 WeakPolarHBondContact O-CB 3.37Å; D2193-A2196 PolarHBondContact O-N 3.36Å
2194P73.6Confident85.4Confident41 Ų4146.3 Ų46.327%0.26622%0.224SC..THydrogen-bonded Turntrans-59.9-22.3-178.725.6-36.9000113A2196 R2200P2194-A2196 PolarHBondContact O-N 3.26Å; P2194-R2200 PolarHBondContact O-NH1 3.27Å; P2194-R2200 PolarHBondContact O-NH2 3.34Å
2195R85.1Confident85.8Confident32 Ų3240.6 Ų40.612%0.12119%0.194CC..THydrogen-bonded Turntrans-69.4-18.7174.8-63.3177.6-75-169.4-4.2112.8M2167 K2171 K2172 S2174 I2175 V2176 D2193 A2197M2167-R2195 HydrophobicContact CE-CB 3.96Å; M2167-R2195 HydrophobicContact CE-CG 4.5Å; M2167-R2195 PolarHBondContact O-NH1 3.32Å; M2167-R2195 PolarHBondContact O-NH2 2.87Å; K2171-R2195 PolarHBondContact O-NH1 2.86Å; K2172-R2195 WeakPolarHBondContact O-CD 3.32Å; S2174-R2195 WeakPolarHBondContact O-CB 3.28Å; S2174-R2195 VanDerWaalsContact O-CD 3.29Å; S2174-R2195 WeakPolarHBondContact O-CD 3.33Å; S2174-R2195 WeakPolarHBondContact O-CG 3.43Å; I2175-R2195 CarbonylContact C-O 3.57Å; I2175-R2195 WeakPolarHBondContact CA-O 3.32Å; V2176-R2195 PolarHBondContact N-O 2.66Å; D2193-R2195 PolarHBondContact O-N 3.02Å; D2193-R2195 WeakPolarHBondContact OD1-CB 3.45Å; D2193-R2195 VanDerWaalsContact OD1-CG 3.25Å; D2193-R2195 WeakPolarHBondContact OD1-CG 3.14Å; D2193-R2195 IonicContact OD1-CZ 2.62Å; D2193-R2195 PolarHBondContact OD1-N 3.4Å; D2193-R2195 IonicContact OD1-NE 3.78Å; D2193-R2195 PolarHBondContact OD1-NE 3.15Å; D2193-R2195 IonicContact OD1-NH2 2.94Å; D2193-R2195 IonicContact OD2-CZ 2.72Å; D2193-R2195 IonicContact OD2-NE 3.87Å; D2193-R2195 PolarHBondContact OD2-NE 3.48Å; D2193-R2195 VanDerWaalsContact OD2-NE 3.17Å; D2193-R2195 IonicContact OD2-NH2 3.94Å; D2193-R2195 PolarHBondContact OD2-NH2 3.3Å; R2195-A2197 PolarHBondContact O-N 3.32Å
2196A88.7Confident86Confident7 Ų740.7 Ų40.76%0.05819%0.194CC..BIsolated β-bridgetrans-67.590.7173.300000110.8I2190 D2193 P2194 Y2198 R2200I2190-A2196 HydrophobicContact CG2-CB 4.2Å; I2190-A2196 WeakPolarHBondContact O-CB 3.4Å; D2193-A2196 WeakPolarHBondContact O-CB 3.37Å; D2193-A2196 PolarHBondContact O-N 3.36Å; P2194-A2196 PolarHBondContact O-N 3.26Å; A2196-Y2198 HydrophobicContact CB-CD1 4.26Å; A2196-Y2198 HydrophobicContact CB-CE1 3.51Å; A2196-R2200 PolarHBondContact O-NH1 3.35Å
2197A91.1Very high86.1Confident0 Ų040.9 Ų40.90%020%0.195CC..  trans-93.3-2.9-176.600000112.9T2057 E2061 I2175 V2176 L2177 R2195 F2199 R2200 Q2201T2057-A2197 HydrophobicContact CG2-CB 4.49Å; E2061-A2197 HydrophobicContact CG-CB 4.42Å; I2175-A2197 HydrophobicContact CB-CB 4.02Å; I2175-A2197 HydrophobicContact CG2-CB 4.5Å; V2176-A2197 PolarHBondContact O-N 2.93Å; L2177-A2197 HydrophobicContact CD2-CB 3.75Å; R2195-A2197 PolarHBondContact O-N 3.32Å; A2197-F2199 VanDerWaalsContact C-N 3.33Å; A2197-F2199 PolarHBondContact O-N 2.84Å; A2197-R2200 CarbonylContact O-C 3.58Å; A2197-R2200 WeakPolarHBondContact O-CB 3.15Å; A2197-R2200 PolarHBondContact O-N 3.2Å; A2197-R2200 VanDerWaalsContact O-N 3.09Å; A2197-Q2201 VanDerWaalsContact O-CB 3.31Å; A2197-Q2201 WeakPolarHBondContact O-CB 3.46Å; A2197-Q2201 PolarHBondContact O-N 2.9Å
2198Y93.1Very high86.5Confident1 Ų139.5 Ų39.50%0.00419%0.185CC..Hα-helixtrans-65-25.3-173.243.9-98.8000115.7V2176 H2178 R2182 I2186 D2191 A2196 A2202V2176-Y2198 HydrophobicContact CB-CD1 4.44Å; V2176-Y2198 HydrophobicContact CG1-CD1 4.19Å; V2176-Y2198 HydrophobicContact CG1-CE1 4.27Å; V2176-Y2198 PolarHBondContact O-N 2.81Å; H2178-Y2198 HydrophobicContact CB-CD1 4.31Å; H2178-Y2198 HydrophobicContact CB-CG 4.19Å; R2182-Y2198 PolarHBondContact NH1-OH 2.68Å; I2186-Y2198 HydrophobicContact CD1-CD1 4.46Å; I2186-Y2198 HydrophobicContact CD1-CE1 4.38Å; I2186-Y2198 HydrophobicContact CG2-CE1 4.35Å; D2191-Y2198 WeakPolarHBondContact OD1-CE2 3.16Å; D2191-Y2198 PolarHBondContact OD1-OH 2.62Å; A2196-Y2198 HydrophobicContact CB-CD1 4.26Å; A2196-Y2198 HydrophobicContact CB-CE1 3.51Å; Y2198-A2202 PolarHBondContact O-N 2.88Å
2199F89.6Confident87.2Confident112 Ų11230.2 Ų30.249%0.49115%0.15SC..Hα-helixtrans-78.1-40.1170.2-67.7-59.3000112L2180 A2197 Q2201 A2202 E2203L2180-F2199 HydrophobicContact CD1-CD1 4.45Å; L2180-F2199 HydrophobicContact CD1-CE1 4.42Å; A2197-F2199 VanDerWaalsContact C-N 3.33Å; A2197-F2199 PolarHBondContact O-N 2.84Å; F2199-Q2201 VanDerWaalsContact C-N 3.31Å; F2199-Q2201 PolarHBondContact O-N 3.12Å; F2199-A2202 WeakPolarHBondContact O-CB 3.5Å; F2199-A2202 PolarHBondContact O-N 2.77Å; F2199-A2202 VanDerWaalsContact O-N 3.16Å; F2199-E2203 PolarHBondContact O-N 3.49Å
2200R89Confident88Confident54 Ų5424.4 Ų24.420%0.20412%0.123CC..Hα-helixtrans-62.4-40171.9-60.7-167.5-63.7-87.810.7111.1E2061 P2194 A2196 A2197 A2202 E2203 Y2204E2061-R2200 IonicContact OE1-CZ 2.87Å; E2061-R2200 IonicContact OE1-NE 2.76Å; E2061-R2200 PolarHBondContact OE1-NE 3.14Å; E2061-R2200 IonicContact OE1-NH2 2.89Å; E2061-R2200 PolarHBondContact OE1-NH2 3.23Å; E2061-R2200 IonicContact OE2-CZ 3.29Å; E2061-R2200 IonicContact OE2-NE 3.37Å; E2061-R2200 IonicContact OE2-NH2 3.27Å; E2061-R2200 PolarHBondContact OE2-NH2 2.94Å; P2194-R2200 PolarHBondContact O-NH1 3.27Å; P2194-R2200 PolarHBondContact O-NH2 3.34Å; A2196-R2200 PolarHBondContact O-NH1 3.35Å; A2197-R2200 CarbonylContact O-C 3.58Å; A2197-R2200 WeakPolarHBondContact O-CB 3.15Å; A2197-R2200 PolarHBondContact O-N 3.2Å; A2197-R2200 VanDerWaalsContact O-N 3.09Å; R2200-A2202 VanDerWaalsContact C-N 3.33Å; R2200-A2202 PolarHBondContact O-N 3.48Å; R2200-E2203 WeakPolarHBondContact O-CB 3.37Å; R2200-E2203 PolarHBondContact O-N 3.36Å; R2200-Y2204 HydrophobicContact CB-CE2 4.28Å; R2200-Y2204 WeakPolarHBondContact O-CB 3.39Å; R2200-Y2204 WeakPolarHBondContact O-CD1 3.44Å; R2200-Y2204 PolarHBondContact O-N 3.2Å
2201Q93.8Very high88.3Confident2 Ų224.3 Ų24.31%0.00912%0.123CC..Hα-helixtrans-55.2-47.3171.2-176.6-171.88.400111.3L2053 D2054 T2057 L2177 H2178 A2197 F2199 E2203 Y2204 G2205L2053-Q2201 HydrophobicContact CD1-CG 3.63Å; L2053-Q2201 WeakPolarHBondContact CD1-O 3.21Å; D2054-Q2201 PolarHBondContact OD1-NE2 3.48Å; T2057-Q2201 HydrophobicContact CG2-CB 4.03Å; T2057-Q2201 WeakPolarHBondContact OG1-CA 3.4Å; L2177-Q2201 HydrophobicContact CD2-CB 4.14Å; L2177-Q2201 HydrophobicContact CD2-CG 4.28Å; H2178-Q2201 PolarHBondContact O-OE1 2.96Å; H2178-Q2201 VanDerWaalsContact O-OE1 3.09Å; A2197-Q2201 VanDerWaalsContact O-CB 3.31Å; A2197-Q2201 WeakPolarHBondContact O-CB 3.46Å; A2197-Q2201 PolarHBondContact O-N 2.9Å; F2199-Q2201 VanDerWaalsContact C-N 3.31Å; F2199-Q2201 PolarHBondContact O-N 3.12Å; Q2201-E2203 PolarHBondContact O-N 2.92Å; Q2201-Y2204 PolarHBondContact O-N 2.98Å; Q2201-G2205 PolarHBondContact O-N 3.36Å
2202A90.7Very high88.9Confident36 Ų3621.4 Ų21.430%0.29811%0.107SC..Hα-helixtrans-62.9-42177.400000112.2Y2198 F2199 R2200 G2205Y2198-A2202 PolarHBondContact O-N 2.88Å; F2199-A2202 WeakPolarHBondContact O-CB 3.5Å; F2199-A2202 PolarHBondContact O-N 2.77Å; F2199-A2202 VanDerWaalsContact O-N 3.16Å; R2200-A2202 VanDerWaalsContact C-N 3.33Å; R2200-A2202 PolarHBondContact O-N 3.48Å; A2202-G2205 PolarHBondContact O-N 2.88Å
2203E90.1Very high89.9Confident85 Ų8520.5 Ų20.540%0.39710%0.101SC..Hα-helixtrans-62.8-48.9175-169.5-160.8156.800111.7F2199 R2200 Q2201 G2205 M2206 Y2207F2199-E2203 PolarHBondContact O-N 3.49Å; R2200-E2203 WeakPolarHBondContact O-CB 3.37Å; R2200-E2203 PolarHBondContact O-N 3.36Å; Q2201-E2203 PolarHBondContact O-N 2.92Å; E2203-G2205 PolarHBondContact O-N 2.94Å; E2203-G2205 VanDerWaalsContact O-N 3.16Å; E2203-M2206 WeakPolarHBondContact O-CB 3.41Å; E2203-M2206 PolarHBondContact O-N 2.93Å; E2203-Y2207 HydrophobicContact CG-CE2 4.13Å; E2203-Y2207 WeakPolarHBondContact OE1-CE2 3.17Å; E2203-Y2207 PolarHBondContact OE1-OH 3.17Å
2204Y92.7Very high90.4Very high20 Ų2020.4 Ų20.48%0.07810%0.101CC..Hα-helixtrans-60.7-27.2179-68.3-3.1000112.6K1942 F2056 T2057 E2060 R2200 Q2201 M2206 Y2207 I2208K1942-Y2204 HydrophobicContact CD-CD1 4.35Å; K1942-Y2204 HydrophobicContact CD-CE1 4.09Å; K1942-Y2204 PolarHBondContact NZ-OH 3.14Å; K1942-Y2204 VanDerWaalsContact NZ-OH 3.15Å; F2056-Y2204 HydrophobicContact CD1-CD2 4.43Å; F2056-Y2204 HydrophobicContact CD1-CG 4.31Å; F2056-Y2204 HydrophobicContact CE1-CD2 4.47Å; F2056-Y2204 HydrophobicContact CE1-CG 4.18Å; T2057-Y2204 HydrophobicContact CG2-CD2 3.9Å; T2057-Y2204 HydrophobicContact CG2-CE2 4.17Å; E2060-Y2204 HydrophobicContact CB-CD2 4.34Å; E2060-Y2204 HydrophobicContact CB-CE2 3.73Å; E2060-Y2204 HydrophobicContact CG-CD2 4.43Å; E2060-Y2204 HydrophobicContact CG-CE2 4.17Å; R2200-Y2204 HydrophobicContact CB-CE2 4.28Å; R2200-Y2204 WeakPolarHBondContact O-CB 3.39Å; R2200-Y2204 WeakPolarHBondContact O-CD1 3.44Å; R2200-Y2204 PolarHBondContact O-N 3.2Å; Q2201-Y2204 PolarHBondContact O-N 2.98Å; Y2204-M2206 PolarHBondContact O-N 3.38Å; Y2204-Y2207 HydrophobicContact CD1-CD2 4.39Å; Y2204-Y2207 PolarHBondContact O-N 3.06Å; Y2204-I2208 PolarHBondContact O-N 3.28Å
2205G92.2Very high91.1Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-54.6-33.4167.500000114.5Q2201 A2202 E2203 R2209Q2201-G2205 PolarHBondContact O-N 3.36Å; A2202-G2205 PolarHBondContact O-N 2.88Å; E2203-G2205 PolarHBondContact O-N 2.94Å; E2203-G2205 VanDerWaalsContact O-N 3.16Å; G2205-R2209 VanDerWaalsContact C-NH1 3.32Å; G2205-R2209 WeakPolarHBondContact O-CB 3.43Å; G2205-R2209 WeakPolarHBondContact O-CD 3.37Å; G2205-R2209 WeakPolarHBondContact O-CG 3.16Å; G2205-R2209 PolarHBondContact O-N 2.63Å; G2205-R2209 VanDerWaalsContact O-N 3.16Å; G2205-R2209 PolarHBondContact O-NH1 3.48Å
2206M93.3Very high91.3Very high22 Ų2217.3 Ų17.311%0.1088%0.084CC..Hα-helixtrans-65.7-51174.7-176.2-17567.300110.8A1977 A1978 R1981 E2203 Y2204 I2208 R2209 M2210A1977-M2206 HydrophobicContact CB-SD 4.26Å; A1978-M2206 HydrophobicContact CB-CG 4.44Å; R1981-M2206 PolarHBondContact NE-SD 3.36Å; E2203-M2206 WeakPolarHBondContact O-CB 3.41Å; E2203-M2206 PolarHBondContact O-N 2.93Å; Y2204-M2206 PolarHBondContact O-N 3.38Å; M2206-I2208 VanDerWaalsContact C-N 3.35Å; M2206-I2208 PolarHBondContact O-N 2.96Å; M2206-R2209 CarbonylContact O-C 3.45Å; M2206-R2209 PolarHBondContact O-N 2.75Å; M2206-M2210 HydrophobicContact CE-SD 4.43Å; M2206-M2210 HydrophobicContact CG-CG 4.49Å; M2206-M2210 HydrophobicContact CG-SD 4.21Å; M2206-M2210 VanDerWaalsContact O-CG 3.31Å; M2206-M2210 WeakPolarHBondContact O-CG 3.45Å; M2206-M2210 PolarHBondContact O-N 3.33Å
2207Y93Very high91.2Very high7 Ų717.9 Ų17.93%0.0279%0.087CC..Hα-helixtrans-66.3-35.7-176.7-56.6-63.4000113K1942 E2203 Y2204 M2210 A2211K1942-Y2207 VanDerWaalsContact CA-CD1 3.48Å; K1942-Y2207 VanDerWaalsContact CA-CE1 3.47Å; K1942-Y2207 HydrophobicContact CB-CD1 3.91Å; K1942-Y2207 HydrophobicContact CB-CD2 3.74Å; K1942-Y2207 HydrophobicContact CB-CE1 4.1Å; K1942-Y2207 HydrophobicContact CB-CE2 3.94Å; K1942-Y2207 HydrophobicContact CB-CG 3.73Å; K1942-Y2207 HydrophobicContact CD-CD2 4.2Å; K1942-Y2207 HydrophobicContact CD-CE2 4.23Å; K1942-Y2207 HydrophobicContact CG-CD2 3.85Å; K1942-Y2207 HydrophobicContact CG-CE1 4.47Å; K1942-Y2207 HydrophobicContact CG-CE2 3.65Å; K1942-Y2207 HydrophobicContact CG-CG 4.36Å; E2203-Y2207 HydrophobicContact CG-CE2 4.13Å; E2203-Y2207 WeakPolarHBondContact OE1-CE2 3.17Å; E2203-Y2207 PolarHBondContact OE1-OH 3.17Å; Y2204-Y2207 HydrophobicContact CD1-CD2 4.39Å; Y2204-Y2207 PolarHBondContact O-N 3.06Å; Y2207-M2210 HydrophobicContact CD1-SD 3.86Å; Y2207-M2210 HydrophobicContact CE1-SD 4.43Å; Y2207-M2210 WeakPolarHBondContact O-CB 3.27Å; Y2207-M2210 PolarHBondContact O-N 2.99Å; Y2207-A2211 PolarHBondContact O-N 3.29Å
2208I94.5Very high90.2Very high0 Ų018.4 Ų18.40%09%0.092CC..Hα-helixtrans-65.8-42.1173.8-73.5-76.2000111.4I1934 F1935 A1938 L2052 L2053 F2056 Y2204 M2206 M2210 A2211 L2212I1934-I2208 HydrophobicContact CG2-CD1 4.07Å; F1935-I2208 HydrophobicContact CD1-CD1 3.45Å; F1935-I2208 VanDerWaalsContact CD1-CD1 3.45Å; F1935-I2208 HydrophobicContact CE1-CD1 3.8Å; A1938-I2208 HydrophobicContact CB-CD1 3.66Å; A1938-I2208 HydrophobicContact CB-CG1 4.11Å; L2052-I2208 HydrophobicContact CB-CG2 3.89Å; L2053-I2208 HydrophobicContact CB-CB 4.05Å; L2053-I2208 HydrophobicContact CB-CG1 4.13Å; L2053-I2208 HydrophobicContact CB-CG2 4.09Å; F2056-I2208 HydrophobicContact CB-CD1 3.49Å; F2056-I2208 VanDerWaalsContact CB-CD1 3.49Å; F2056-I2208 HydrophobicContact CB-CG1 3.72Å; F2056-I2208 HydrophobicContact CD1-CD1 3.89Å; F2056-I2208 HydrophobicContact CD1-CG1 3.56Å; F2056-I2208 HydrophobicContact CD2-CD1 3.9Å; F2056-I2208 HydrophobicContact CD2-CG1 4.49Å; F2056-I2208 HydrophobicContact CE1-CG1 4.3Å; F2056-I2208 HydrophobicContact CG-CD1 3.49Å; F2056-I2208 VanDerWaalsContact CG-CD1 3.49Å; F2056-I2208 HydrophobicContact CG-CG1 3.68Å; Y2204-I2208 PolarHBondContact O-N 3.28Å; M2206-I2208 VanDerWaalsContact C-N 3.35Å; M2206-I2208 PolarHBondContact O-N 2.96Å; I2208-M2210 VanDerWaalsContact C-N 3.3Å; I2208-M2210 PolarHBondContact O-N 3.48Å; I2208-A2211 PolarHBondContact O-N 3.31Å; I2208-L2212 HydrophobicContact CG2-CD1 4Å; I2208-L2212 WeakPolarHBondContact O-CB 3.35Å; I2208-L2212 WeakPolarHBondContact O-CG 3.41Å; I2208-L2212 PolarHBondContact O-N 3.22Å
2209R94.3Very high88.6Confident4 Ų420.3 Ų20.32%0.01511%0.113CC..Hα-helixtrans-65.8-34.9174-69.9168.7-177.6114.51.1111.4S1974 F1975 A1978 G2205 M2206 L2213S1974-R2209 VanDerWaalsContact CB-NH1 3.32Å; S1974-R2209 WeakPolarHBondContact OG-CD 3.36Å; S1974-R2209 PolarHBondContact OG-NE 2.91Å; S1974-R2209 PolarHBondContact OG-NH1 3.28Å; F1975-R2209 HydrophobicContact CD1-CB 3.94Å; F1975-R2209 HydrophobicContact CD1-CG 3.97Å; F1975-R2209 HydrophobicContact CD2-CG 4.18Å; F1975-R2209 HydrophobicContact CE1-CB 3.91Å; F1975-R2209 HydrophobicContact CE1-CG 3.71Å; F1975-R2209 HydrophobicContact CE2-CG 3.93Å; F1975-R2209 HydrophobicContact CG-CB 4.45Å; F1975-R2209 HydrophobicContact CG-CG 4.19Å; F1975-R2209 HydrophobicContact CZ-CB 4.41Å; F1975-R2209 HydrophobicContact CZ-CG 3.69Å; A1978-R2209 HydrophobicContact CB-CB 3.99Å; G2205-R2209 VanDerWaalsContact C-NH1 3.32Å; G2205-R2209 WeakPolarHBondContact O-CB 3.43Å; G2205-R2209 WeakPolarHBondContact O-CD 3.37Å; G2205-R2209 WeakPolarHBondContact O-CG 3.16Å; G2205-R2209 PolarHBondContact O-N 2.63Å; G2205-R2209 VanDerWaalsContact O-N 3.16Å; G2205-R2209 PolarHBondContact O-NH1 3.48Å; M2206-R2209 CarbonylContact O-C 3.45Å; M2206-R2209 PolarHBondContact O-N 2.75Å; R2209-L2213 WeakPolarHBondContact O-CB 3.28Å; R2209-L2213 WeakPolarHBondContact O-CG 3.44Å; R2209-L2213 PolarHBondContact O-N 2.57Å
2210M92.3Very high86.4Confident1 Ų124.2 Ų24.21%0.00512%0.124CC..Hα-helixtrans-63.7-48.5173.8-69.217066.700111.3L1941 V1951 A1978 R1981 L1982 M2206 Y2207 I2208 L2212 L2213 A2214L1941-M2210 HydrophobicContact CB-CE 4.1Å; L1941-M2210 HydrophobicContact CD1-CB 3.76Å; L1941-M2210 HydrophobicContact CD1-CE 4.46Å; L1941-M2210 HydrophobicContact CD2-CE 4.09Å; L1941-M2210 HydrophobicContact CG-CE 4.45Å; V1951-M2210 HydrophobicContact CG1-CE 4.4Å; A1978-M2210 HydrophobicContact CB-CB 4.27Å; A1978-M2210 HydrophobicContact CB-CG 3.42Å; A1978-M2210 VanDerWaalsContact CB-CG 3.42Å; R1981-M2210 HydrophobicContact CB-CE 4.09Å; R1981-M2210 HydrophobicContact CB-SD 4.4Å; L1982-M2210 HydrophobicContact CD1-CB 4.02Å; L1982-M2210 HydrophobicContact CD1-CG 4.33Å; L1982-M2210 WeakPolarHBondContact CD1-O 3.48Å; L1982-M2210 HydrophobicContact CD2-CB 4.25Å; L1982-M2210 HydrophobicContact CD2-CE 3.86Å; L1982-M2210 HydrophobicContact CG-CB 4.28Å; L1982-M2210 HydrophobicContact CG-CE 4.24Å; L1982-M2210 HydrophobicContact CG-CG 4.29Å; M2206-M2210 HydrophobicContact CE-SD 4.43Å; M2206-M2210 HydrophobicContact CG-CG 4.49Å; M2206-M2210 HydrophobicContact CG-SD 4.21Å; M2206-M2210 VanDerWaalsContact O-CG 3.31Å; M2206-M2210 WeakPolarHBondContact O-CG 3.45Å; M2206-M2210 PolarHBondContact O-N 3.33Å; Y2207-M2210 HydrophobicContact CD1-SD 3.86Å; Y2207-M2210 HydrophobicContact CE1-SD 4.43Å; Y2207-M2210 WeakPolarHBondContact O-CB 3.27Å; Y2207-M2210 PolarHBondContact O-N 2.99Å; I2208-M2210 VanDerWaalsContact C-N 3.3Å; I2208-M2210 PolarHBondContact O-N 3.48Å; M2210-L2212 PolarHBondContact O-N 3.49Å; M2210-L2213 PolarHBondContact O-N 3.03Å; M2210-A2214 WeakPolarHBondContact O-CB 3.39Å; M2210-A2214 PolarHBondContact O-N 2.89Å
2211A90.6Very high83.9Confident0 Ų028.4 Ų28.40%015%0.15CC..Hα-helixtrans-60-46.3177.500000111.8I1934 L1937 A1938 L1941 Y2207 I2208 A2214 M2215I1934-A2211 HydrophobicContact CG2-CB 4.39Å; I1934-A2211 WeakPolarHBondContact O-CB 3.43Å; L1937-A2211 HydrophobicContact CB-CB 3.97Å; L1937-A2211 HydrophobicContact CD2-CB 3.96Å; L1937-A2211 HydrophobicContact CG-CB 3.85Å; A1938-A2211 HydrophobicContact CB-CB 3.93Å; L1941-A2211 HydrophobicContact CD1-CB 4.2Å; Y2207-A2211 PolarHBondContact O-N 3.29Å; I2208-A2211 PolarHBondContact O-N 3.31Å; A2211-A2214 PolarHBondContact O-N 3.16Å; A2211-M2215 WeakPolarHBondContact O-CB 3.48Å; A2211-M2215 VanDerWaalsContact O-CG 3.29Å; A2211-M2215 WeakPolarHBondContact O-CG 3.12Å; A2211-M2215 PolarHBondContact O-N 3.09Å
2212L91.3Very high80.9Confident0 Ų031.9 Ų31.90%017%0.172CC..Hα-helixtrans-60.5-47176-77.7168.3000112.2I1934 T2049 L2052 I2208 M2210 A2214 M2215 V2216I1934-L2212 HydrophobicContact CD1-CD2 3.88Å; I1934-L2212 HydrophobicContact CG1-CD2 4.3Å; I1934-L2212 HydrophobicContact CG2-CD2 4.4Å; I1934-L2212 HydrophobicContact CG2-CG 4.32Å; T2049-L2212 HydrophobicContact CG2-CD1 3.82Å; L2052-L2212 HydrophobicContact CD1-CD1 3.67Å; L2052-L2212 HydrophobicContact CD1-CD2 3.86Å; L2052-L2212 HydrophobicContact CD1-CG 4.21Å; I2208-L2212 HydrophobicContact CG2-CD1 4Å; I2208-L2212 WeakPolarHBondContact O-CB 3.35Å; I2208-L2212 WeakPolarHBondContact O-CG 3.41Å; I2208-L2212 PolarHBondContact O-N 3.22Å; M2210-L2212 PolarHBondContact O-N 3.49Å; L2212-A2214 VanDerWaalsContact C-N 3.35Å; L2212-A2214 PolarHBondContact O-N 3.11Å; L2212-M2215 PolarHBondContact O-N 3.39Å; L2212-V2216 VanDerWaalsContact O-CB 3.24Å; L2212-V2216 WeakPolarHBondContact O-CB 3.41Å; L2212-V2216 WeakPolarHBondContact O-CG2 3.4Å; L2212-V2216 PolarHBondContact O-N 3.23Å
2213L92.1Very high77.8Confident0 Ų035.2 Ų35.20%020%0.199CC..Hα-helixtrans-61.1-44.7177.9-75.4170000111.1L1955 M1960 F1975 A1978 M1979 L1982 V2015 I2038 R2209 M2210 M2215 V2217L1955-L2213 HydrophobicContact CD1-CB 4Å; M1960-L2213 HydrophobicContact SD-CD1 4.26Å; M1960-L2213 HydrophobicContact SD-CD2 4.01Å; F1975-L2213 HydrophobicContact CD1-CD1 4.22Å; F1975-L2213 HydrophobicContact CD1-CG 4.4Å; A1978-L2213 HydrophobicContact CB-CD1 3.9Å; M1979-L2213 HydrophobicContact CB-CD1 4.04Å; M1979-L2213 HydrophobicContact SD-CD1 4.16Å; M1979-L2213 HydrophobicContact SD-CD2 4.41Å; L1982-L2213 HydrophobicContact CD1-CB 3.94Å; L1982-L2213 HydrophobicContact CD1-CD1 4.48Å; V2015-L2213 HydrophobicContact CG1-CD2 4.08Å; I2038-L2213 HydrophobicContact CD1-CD2 4.17Å; R2209-L2213 WeakPolarHBondContact O-CB 3.28Å; R2209-L2213 WeakPolarHBondContact O-CG 3.44Å; R2209-L2213 PolarHBondContact O-N 2.57Å; M2210-L2213 PolarHBondContact O-N 3.03Å; L2213-M2215 PolarHBondContact O-N 3.47Å; L2213-V2217 VanDerWaalsContact O-CB 3.23Å; L2213-V2217 WeakPolarHBondContact O-CB 3.43Å; L2213-V2217 VanDerWaalsContact O-CG2 3.28Å; L2213-V2217 WeakPolarHBondContact O-CG2 3.32Å; L2213-V2217 PolarHBondContact O-N 3.28Å
2214A88.2Confident74.8Confident4 Ų441.9 Ų41.93%0.03324%0.237CC..Hα-helixtrans-60.7-42.9177.400000112.3L1937 M2210 A2211 L2212 G2218L1937-A2214 HydrophobicContact CD2-CB 4.12Å; M2210-A2214 WeakPolarHBondContact O-CB 3.39Å; M2210-A2214 PolarHBondContact O-N 2.89Å; A2211-A2214 PolarHBondContact O-N 3.16Å; L2212-A2214 VanDerWaalsContact C-N 3.35Å; L2212-A2214 PolarHBondContact O-N 3.11Å; A2214-G2218 WeakPolarHBondContact O-CA 3.4Å; A2214-G2218 PolarHBondContact O-N 3.47Å; A2214-G2218 VanDerWaalsContact O-N 3.15Å
2215M88.3Confident73.9Confident8 Ų843 Ų434%0.03925%0.245CC..Hα-helixtrans-74.4-38.7179.8-67.9175.783.700113.3A1912 L1915 M1916 D1933 I1934 L1937 A2211 L2212 L2213A1912-M2215 HydrophobicContact CB-CE 4.24Å; L1915-M2215 HydrophobicContact CD1-CE 4.01Å; L1915-M2215 HydrophobicContact CD1-SD 4.49Å; M1916-M2215 VanDerWaalsContact CA-O 3.29Å; M1916-M2215 WeakPolarHBondContact CA-O 3.4Å; M1916-M2215 PolarHBondContact N-O 2.68Å; D1933-M2215 HydrophobicContact CB-CE 4.05Å; I1934-M2215 HydrophobicContact CB-SD 4.36Å; I1934-M2215 HydrophobicContact CG1-CE 4.2Å; I1934-M2215 HydrophobicContact CG1-SD 3.65Å; L1937-M2215 HydrophobicContact CD2-CG 3.75Å; L1937-M2215 HydrophobicContact CD2-SD 4.19Å; A2211-M2215 WeakPolarHBondContact O-CB 3.48Å; A2211-M2215 VanDerWaalsContact O-CG 3.29Å; A2211-M2215 WeakPolarHBondContact O-CG 3.12Å; A2211-M2215 PolarHBondContact O-N 3.09Å; L2212-M2215 PolarHBondContact O-N 3.39Å; L2213-M2215 PolarHBondContact O-N 3.47Å
2216V88.6Confident72.9Confident0 Ų045.3 Ų45.30%026%0.258CS..Hα-helixtrans-78.1-41.4-176.4171.20000111.9G1917 I1920 P2036 L2212G1917-V2216 PolarHBondContact N-O 2.73Å; I1920-V2216 HydrophobicContact CD1-CG2 3.89Å; I1920-V2216 HydrophobicContact CG1-CG2 3.75Å; P2036-V2216 HydrophobicContact CB-CG1 3.38Å; P2036-V2216 HydrophobicContact CG-CG1 4.02Å; L2212-V2216 VanDerWaalsContact O-CB 3.24Å; L2212-V2216 WeakPolarHBondContact O-CB 3.41Å; L2212-V2216 WeakPolarHBondContact O-CG2 3.4Å; L2212-V2216 PolarHBondContact O-N 3.23Å
2217V85.6Confident71.8Confident20 Ų2046.6 Ų46.612%0.12127%0.266CS..Hα-helixtrans-82.1-32.8-177.7-1780000111.8L1955 K1958 D2014 V2015 L2213L1955-V2217 HydrophobicContact CD1-CB 4.45Å; L1955-V2217 HydrophobicContact CD2-CB 3.88Å; L1955-V2217 HydrophobicContact CD2-CG1 3.89Å; K1958-V2217 HydrophobicContact CB-CG1 4.15Å; K1958-V2217 HydrophobicContact CD-CG1 3.7Å; K1958-V2217 HydrophobicContact CG-CG1 3.74Å; D2014-V2217 HydrophobicContact CB-CG1 4.43Å; V2015-V2217 HydrophobicContact CB-CG2 3.84Å; V2015-V2217 HydrophobicContact CG1-CG2 3.59Å; V2015-V2217 HydrophobicContact CG2-CG2 4.43Å; L2213-V2217 VanDerWaalsContact O-CB 3.23Å; L2213-V2217 WeakPolarHBondContact O-CB 3.43Å; L2213-V2217 VanDerWaalsContact O-CG2 3.28Å; L2213-V2217 WeakPolarHBondContact O-CG2 3.32Å; L2213-V2217 PolarHBondContact O-N 3.28Å
2218G71.7Confident70.5Confident10 Ų1048.9 Ų48.910%0.10328%0.28CS..  trans74.5135.5-176.600000113.5A2214A2214-G2218 WeakPolarHBondContact O-CA 3.4Å; A2214-G2218 PolarHBondContact O-N 3.47Å; A2214-G2218 VanDerWaalsContact O-N 3.15Å
2219G58.7Low69Low42 Ų4251.9 Ų51.943%0.43330%0.297SS..  trans-75.1144.517000000111.6
2220R43.8Very low67.4Low193 Ų19355.1 Ų55.173%0.72832%0.316SS*.  trans-65.2133.5178.5-109.8-176.8178177.30.1111.3T2222R2220-T2222 HydrophobicContact CB-CG2 4.31Å; R2220-T2222 PolarHBondContact O-N 2.88Å
2221N36.6Very low65.6Low142 Ų14259 Ų5976%0.75934%0.338SS*.  trans-76.895.4153.6-81.3-13.4000108.2
2222T31.4Very low63.7Low75 Ų7563.5 Ų63.546%0.4636%0.364SS..  trans-95.687.1163.449.20000108.7R2220 L2224R2220-T2222 HydrophobicContact CB-CG2 4.31Å; R2220-T2222 PolarHBondContact O-N 2.88Å; T2222-L2224 PolarHBondContact O-N 3.28Å
2223A25.1Very low61.3Low106 Ų10668.8 Ų68.888%0.87640%0.395SS*.  trans-74.790.6138.800000105.8
2224L26.2Very low58.6Low226 Ų22675.1 Ų75.1100%1.18343%0.431SS*.  trans-143.70162.7-105.9168.4000106.9T2222T2222-L2224 PolarHBondContact O-N 3.28Å

Retrieved 2,224 of 2,224 residues in 1122.4 ms (Link to these results)