PIEZ1_CAEEL Loading...

Isoform b of Piezo-type mechanosensitive ion channel component 1 AlphaSync

Canonical isoform description: Pore-forming subunit of a mechanosensitive non-specific cation channel (By similarity). Generates currents characterized by a linear current-voltage relationship (By similarity). Plays a role in reproduction by positively regulating inter-tissue signaling to promote oocyte maturation, ovulation and fertilization, and sperm navigation from and to the spermatheca1. May play a role in regulating cytosolic and endoplasmic reticulum calcium ion release2.

AlphaFold DB , UniProt , Accession A0A061ACU2-3 (canonical: A0A061ACU2), Species CAEEL (Caenorhabditis elegans), Gene pezo-1, Length 2,400 aa.

>PIEZ1_CAEEL|A0A061ACU2-3|pezo-1
MTVPPLLKSCVVKLLLPAALLAAAIIRPSFLSIGYVLLALVSAVLPPIRKSLALPKLVGTFVIITFLFCLAVALGVGSYQISEQVVHKNDRTYICNRSDTTLFRSIGLVRFHPTGTFESTRAFLPEIIATSAALLTIIIVMFLSHRDEQLDVVGDVVTVRSESGREQRRQRKLAAIMWSAIGNSLRRLTNFVLFLFTAYVGIVKPSLSNSIYFLAFLFISTWWSTYTPLRHGVYNQIKKFLIFYSALHFLVLYTYQIPIVHHSWLPTGSFLPRLFGLTVLMDSSCPEWWKFPFVAPDFNDDDLIMKWPLYANPIVVLVFFYLTVAQYKFTRNGSREYIDDNEYGSSVHEELLSNASSSANDDEQGRARSRSPLRNGEEQGSIPLRKVTSQVVDRNKLSNIFNTPGDKESAASKGMIAVMTFVIFHSYSIALTAMMTWALLYHSIFGLILLILTCILWIFRDTRKSSFAMAPIILMYIEFLLILQYFLSMDIHAEIGDPAWMNFVGIEWTTLPVHAVIILCVQTLLTLPVFLLLRLARREKFYESLSDYERQRRINSYGTFGASKTGAGGVAVAKDPKSRKFAAFVEYLSNKVSVYFIFVVSVVLLVVSTCFAPNFYNILFFALWALNLIYLKFSFRLYRGLAYAFWLTLTFYTSIVIIALYIYQFPGVSQWIIRNTSLSQEWLNAIGLVDFRAIGESGALFLQLLAPIALFVVTMLQLKFFHGPWSRATSPRRAENDPPTSTTEAAAVASTSGTQGRAHAAGDTLVKKLHKLANQTIELLWRFFEVHISKIVFVIIAIFIANNINALYIPLVILLSLAICLPSAADGIFSLFMCAYLFLVALSKMIYQLDIVPELSQIDRGVGADNCSHGNISMPEWFGLKKEVEGTEPIYMLFGVIVSIIALAFQSIVIYRQRHYRASLGLPESMRAKVFPDFHHSHFDRSLKNAIQFLIDYGFYKFGLEITMIAIGIDIFNRMDALAAIQCFWLVLFALNKRVFVRRIWVFYVIYMAILYPLQFFSYVGLPPDSCIEYPWSYWIPSYSDDARFNLSYLLNLSIYGVNWPSAYLIGDFFVLLLASCQLAVFRREGEDNDSIYNDGNFVIKPENPQYDFIDTKKSYVDYFKSFVFHYGHWITLMSTLAAGIAGTSLFALGYIIFTLTMLWSGNNLYVMNSTLRSFEHTLKRWNALLGYTLFTITMKVCLQIFGCVFLSWFDQSGGWGKTLCIVRQLFSITCVNNECHVLKELEDFSKACAVETKEGNIGFDVIALSFLVFQIRIFHSWYFQHCMVEYRSEVILANRGAVLKNQLIEKEMKEQNEQQKAKFNDIRRRTEAIRERYQKQIERGAAERDFEPVTYGHAKRAGDYYMFKYDPENDDLVEPVDSFVPEVDPKATAYDRLDPGQIMYAATAHDLDLAKTVQQVKKGDTIKDPDSRALIAVSEPEARKPGGTEETDGDEDEDNKDSKVESTAKFIQKMIASALDLCSVTLNKLCREHRYVGFVLSKEKQKLKSGHSESLSNTSRKLTDIRSAVDLPSLQLVQSANDVEKMETAVSVDWQQKSSATRLLNAVVNCIGAHTDILCYFFAIMTQVMTGGLITLPLPLMSLFWGNLSNPRPSKFFWVTMITYTECVIVIKFVCQFAFMPYNSITWRTEHQMDPMSLDKLFGVSQRDSFALWDIVLLFSLFFHRYMLRKLGLWKDANLTDTFTLKEEPRSASGSDTGSPKKIAQEPKVVVTQSDTLEGTSGGEIVIPSDPNAVSNMEELDCEPPIPEKQSGPIGRFIHQLFHPKFRYIRDLYPIMFGIDVICFLIMTFGYSAFGEGGSGNVLDDVKASRIPVTLVVMLVGMTLAIIIDRALYLRKSVVGKLIYQVLMIAFLHIWVFLVLPNMTRRSAISNHVAQALYVIKSCYFLVSAWQIRNGYPELCIGNLLTHSYGMTNMIAFKVFMNIPFLFELRTAIDWTWTDTSMPLFDFFNMENFYAHIFNIKCARQFEAAYPAPRGIPKGKLVKYMMGFPIIIGVVIFIFSPLLLWSLLNQIGTISMPEKVTLRISIEGYPPLYEMEAQGSNHDNAELGMIKPDQLASLNQALTDSYTTRDTNSILRSRMSVSYLKGYTYEDILIVRFRPESEIYWPISQDSRNAMIDKLSRNTSVNFEVSLEFTRPYDPNENAALKHSKSWLVPISLDMTIRAKIQSALRGDPGHPILIPQSIPAFIQVPNQGELTLPTSIGNTIINDGNPRINTTGMEKSDEARAWFDSLTLNLEQGKSQNEKMWIATSEHPGDQNAKLWIKTANTTYSGRPYLQVVGFIDRAFPSFLAKVFKGGVIAVYLSVILVVGRGLVRGIFTTSPSTVMFTELPNADHLLKICLDIYLVREAKDFMLEQDLFAKLIFLFRSPATLIEWTRMSKKKQE
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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
1M44.4Very low66.9Low202 Ų20266.6 Ų66.6100%0.99538%0.375SS*.  0117.70-86.2173.9160.200108.8L143M1-L143 HydrophobicContact CB-CD2 3.44Å; M1-L143 VanDerWaalsContact CB-CD2 3.44Å; M1-L143 WeakPolarHBondContact O-CD2 2.93Å
2T48.6Very low68.2Low88 Ų8861.4 Ų61.454%0.5435%0.346SS..  trans-89.5126.417544.40000109.1R146T2-R146 HydrophobicContact CG2-CB 4.3Å
3V60.2Low68.9Low18 Ų1860.8 Ų60.811%0.10934%0.337CS..  trans-109.3131.3-175.31770000110.1L7 K8 I139 L143V3-L7 HydrophobicContact CG1-CB 3.84Å; V3-L7 HydrophobicContact CG1-CD2 3.49Å; V3-L7 VanDerWaalsContact CG1-CD2 3.49Å; V3-L7 HydrophobicContact CG1-CG 4.1Å; V3-K8 HydrophobicContact CG1-CG 4.12Å; V3-I139 HydrophobicContact CG1-CG2 4.4Å; V3-L143 HydrophobicContact CB-CB 4.49Å; V3-L143 HydrophobicContact CG2-CB 3.88Å; V3-L143 HydrophobicContact CG2-CD1 3.97Å; V3-L143 HydrophobicContact CG2-CD2 3.93Å; V3-L143 HydrophobicContact CG2-CG 4.12Å
4P65.3Low69.4Low78 Ų7865 Ų6551%0.50636%0.358SS..  trans-62.4141.6179.521.8-31.1000111.6L6 L7 K8P4-L6 PolarHBondContact O-N 2.89Å; P4-L6 VanDerWaalsContact O-N 3.07Å; P4-L7 HydrophobicContact CG-CB 4.03Å; P4-L7 WeakPolarHBondContact O-CB 3.34Å; P4-L7 PolarHBondContact O-N 3.48Å; P4-K8 PolarHBondContact O-N 3.01Å
5P62.8Low70.4Confident26 Ų2665.9 Ų65.917%0.16936%0.361CS..Hα-helixtrans-61.6-23.4-176.921.4-31000113.2S9 I48 K50P5-S9 WeakPolarHBondContact O-CB 3.42Å; P5-S9 PolarHBondContact O-N 2.94Å; P5-I48 HydrophobicContact CB-CG2 4.37Å; P5-K50 HydrophobicContact CG-CG 3.68Å
6L66.9Low71.5Confident141 Ų14161.8 Ų61.874%0.73834%0.339SS*.Hα-helixtrans-68.3-38.7174.9-153.2150.5000111.6P4 S9 C10P4-L6 PolarHBondContact O-N 2.89Å; P4-L6 VanDerWaalsContact O-N 3.07Å; L6-S9 PolarHBondContact O-N 2.6Å; L6-C10 WeakPolarHBondContact O-CB 3.42Å; L6-C10 PolarHBondContact O-N 2.89Å
7L74.2Confident72.2Confident86 Ų8658.2 Ų58.245%0.4532%0.319SS..Hα-helixtrans-67.7-44.6174.9-170.272.7000110.7V3 P4 S9 C10 V11V3-L7 HydrophobicContact CG1-CB 3.84Å; V3-L7 HydrophobicContact CG1-CD2 3.49Å; V3-L7 VanDerWaalsContact CG1-CD2 3.49Å; V3-L7 HydrophobicContact CG1-CG 4.1Å; P4-L7 HydrophobicContact CG-CB 4.03Å; P4-L7 WeakPolarHBondContact O-CB 3.34Å; P4-L7 PolarHBondContact O-N 3.48Å; L7-S9 VanDerWaalsContact C-N 3.27Å; L7-S9 PolarHBondContact O-N 3.48Å; L7-C10 PolarHBondContact O-N 3.38Å; L7-C10 VanDerWaalsContact O-N 3.11Å; L7-V11 VanDerWaalsContact O-CG2 3.31Å; L7-V11 WeakPolarHBondContact O-CG2 3.02Å; L7-V11 PolarHBondContact O-N 3.27Å
8K77.8Confident72.8Confident6 Ų658.1 Ų58.13%0.02633%0.327CS..Hα-helixtrans-56.2-43.7173.3-63.1-169.3174.1-169.50111.3V3 P4 V12 I48 I139 L143V3-K8 HydrophobicContact CG1-CG 4.12Å; P4-K8 PolarHBondContact O-N 3.01Å; K8-V12 WeakPolarHBondContact O-CG2 3.33Å; K8-V12 PolarHBondContact O-N 2.99Å; K8-I48 HydrophobicContact CB-CD1 3.59Å; K8-I48 HydrophobicContact CB-CG2 4.48Å; K8-I139 WeakPolarHBondContact CE-O 3.45Å; K8-I139 HydrophobicContact CG-CG2 4.27Å; K8-L143 WeakPolarHBondContact CE-O 3.42Å; K8-L143 PolarHBondContact NZ-O 3.13Å
9S74.7Confident73.6Confident21 Ų2155.8 Ų55.815%0.14732%0.316CS..Hα-helixtrans-70-31177.9-170.60000113.3P5 L6 L7 K13P5-S9 WeakPolarHBondContact O-CB 3.42Å; P5-S9 PolarHBondContact O-N 2.94Å; L6-S9 PolarHBondContact O-N 2.6Å; L7-S9 VanDerWaalsContact C-N 3.27Å; L7-S9 PolarHBondContact O-N 3.48Å; S9-K13 VanDerWaalsContact O-CB 3.26Å; S9-K13 WeakPolarHBondContact O-CB 3.35Å; S9-K13 WeakPolarHBondContact O-CG 3.37Å; S9-K13 PolarHBondContact O-N 3.35Å; S9-K13 VanDerWaalsContact O-N 3.13Å
10C77.4Confident74.4Confident57 Ų5753.1 Ų53.139%0.38530%0.301SS..Hα-helixtrans-72-42.5177.8-162.80000111.1L6 L7 V12 K13 L14 L15L6-C10 WeakPolarHBondContact O-CB 3.42Å; L6-C10 PolarHBondContact O-N 2.89Å; L7-C10 PolarHBondContact O-N 3.38Å; L7-C10 VanDerWaalsContact O-N 3.11Å; C10-V12 PolarHBondContact O-N 2.96Å; C10-K13 PolarHBondContact O-N 2.97Å; C10-L14 WeakPolarHBondContact O-CB 3.35Å; C10-L14 PolarHBondContact O-N 2.84Å; C10-L15 PolarHBondContact O-N 3.49Å
11V83.1Confident74.9Confident10 Ų1051.3 Ų51.36%0.06129%0.291CS..Iπ-helixtrans-60.3-44.4177.5169.40000111.4L7 L15 L16 T136 I139L7-V11 VanDerWaalsContact O-CG2 3.31Å; L7-V11 WeakPolarHBondContact O-CG2 3.02Å; L7-V11 PolarHBondContact O-N 3.27Å; V11-L15 HydrophobicContact CG1-CD2 4.38Å; V11-L15 HydrophobicContact CG2-CD2 4.43Å; V11-L16 WeakPolarHBondContact O-CB 3.47Å; V11-L16 PolarHBondContact O-N 2.78Å; V11-T136 HydrophobicContact CG1-CG2 3.35Å; V11-I139 HydrophobicContact CG1-CD1 4.25Å; V11-I139 HydrophobicContact CG2-CD1 3.89Å; V11-I139 HydrophobicContact CG2-CG2 4.36Å
12V82.9Confident76.8Confident4 Ų443.6 Ų43.62%0.02426%0.259CS..Iπ-helixtrans-71.1-42.3178.51750000112.4K8 C10 P17 S42 L45 I48 V140K8-V12 WeakPolarHBondContact O-CG2 3.33Å; K8-V12 PolarHBondContact O-N 2.99Å; C10-V12 PolarHBondContact O-N 2.96Å; V12-P17 WeakPolarHBondContact O-CD 3.2Å; V12-S42 PolarHBondContact O-OG 2.88Å; V12-L45 HydrophobicContact CG1-CD1 3.97Å; V12-I48 HydrophobicContact CG2-CD1 4.47Å; V12-V140 HydrophobicContact CG2-CG2 3.78Å
13K76.9Confident78.5Confident54 Ų5439.4 Ų39.424%0.23523%0.233CC..Iπ-helixtrans-93.2-15.7-169-67.1-174176-179.90115.5S9 C10 L45S9-K13 VanDerWaalsContact O-CB 3.26Å; S9-K13 WeakPolarHBondContact O-CB 3.35Å; S9-K13 WeakPolarHBondContact O-CG 3.37Å; S9-K13 PolarHBondContact O-N 3.35Å; S9-K13 VanDerWaalsContact O-N 3.13Å; C10-K13 PolarHBondContact O-N 2.97Å; K13-L45 WeakPolarHBondContact CE-O 3.35Å
14L77Confident79.7Confident119 Ų11938.6 Ų38.662%0.62323%0.228SC*.Iπ-helixtrans-130-49.8-173.4-163.2131.4000112C10 P17 A18C10-L14 WeakPolarHBondContact O-CB 3.35Å; C10-L14 PolarHBondContact O-N 2.84Å; L14-P17 WeakPolarHBondContact O-CD 3.33Å; L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.98Å
15L83.6Confident80.4Confident78 Ų7839.5 Ų39.541%0.40823%0.228SC..Iπ-helixtrans-70.6-51.1-178.2-170.971.6000112.5C10 V11 A18 A19 L135C10-L15 PolarHBondContact O-N 3.49Å; V11-L15 HydrophobicContact CG1-CD2 4.38Å; V11-L15 HydrophobicContact CG2-CD2 4.43Å; L15-A18 PolarHBondContact O-N 2.91Å; L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 2.99Å; L15-L135 HydrophobicContact CD2-CD2 3.72Å
16L87.5Confident81.2Confident0 Ų039.5 Ų39.50%023%0.226CC..Hα-helixtrans-62-46.9-179.7179.167.2000113.1V11 A18 A19 L20 F61 T65 T136V11-L16 WeakPolarHBondContact O-CB 3.47Å; V11-L16 PolarHBondContact O-N 2.78Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.06Å; L16-A19 PolarHBondContact O-N 3.5Å; L16-L20 HydrophobicContact CD1-CD1 4.2Å; L16-L20 HydrophobicContact CD1-CG 4.29Å; L16-L20 HydrophobicContact CG-CD1 4.05Å; L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 2.9Å; L16-L20 PolarHBondContact O-N 3.49Å; L16-F61 HydrophobicContact CD2-CE1 3.67Å; L16-F61 HydrophobicContact CD2-CZ 4.37Å; L16-T65 HydrophobicContact CD1-CG2 4.13Å; L16-T65 HydrophobicContact CD2-CG2 4.46Å; L16-T136 HydrophobicContact CB-CG2 3.86Å; L16-T136 HydrophobicContact CD1-CG2 4.11Å; L16-T136 HydrophobicContact CD2-CG2 4.44Å; L16-T136 HydrophobicContact CG-CG2 4.37Å
17P83.8Confident81.8Confident2 Ų233.2 Ų33.21%0.01319%0.192CC..Hα-helixtrans-67.9-34.8179.9-20.636.4000112.2V12 L14 L20 L21 A39 S42V12-P17 WeakPolarHBondContact O-CD 3.2Å; L14-P17 WeakPolarHBondContact O-CD 3.33Å; P17-L20 PolarHBondContact O-N 3.13Å; P17-L21 WeakPolarHBondContact O-CB 3.49Å; P17-L21 VanDerWaalsContact O-CG 3.3Å; P17-L21 WeakPolarHBondContact O-CG 3.48Å; P17-L21 PolarHBondContact O-N 2.74Å; P17-A39 HydrophobicContact CB-CB 4.17Å; P17-S42 VanDerWaalsContact CG-OG 3.27Å; P17-S42 WeakPolarHBondContact CG-OG 3.5Å
18A83.6Confident82Confident55 Ų5529.7 Ų29.746%0.45518%0.175SC..Hα-helixtrans-64.1-43.7174.500000111.4L14 L15 L16 A22L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.98Å; L15-A18 PolarHBondContact O-N 2.91Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.06Å; A18-A22 VanDerWaalsContact O-CB 3.25Å; A18-A22 WeakPolarHBondContact O-CB 3.45Å; A18-A22 PolarHBondContact O-N 3.36Å
19A87Confident82.2Confident15 Ų1529.4 Ų29.412%0.12417%0.174CC..Hα-helixtrans-65.4-41176.600000112.6L15 L16 A22 A23 I128 A132L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 2.99Å; L16-A19 PolarHBondContact O-N 3.5Å; A19-A22 PolarHBondContact O-N 3.07Å; A19-A23 WeakPolarHBondContact O-CB 3.03Å; A19-A23 PolarHBondContact O-N 3Å; A19-I128 HydrophobicContact CB-CG2 4.14Å; A19-A132 HydrophobicContact CB-CB 3.4Å; A19-A132 VanDerWaalsContact CB-CB 3.4Å
20L89.5Confident82.6Confident1 Ų132.2 Ų32.21%0.00518%0.183CC..Hα-helixtrans-66.4-42.5176.4-71.2172.5000112.4L16 P17 A23 A24 Y35 L38 A39 T65 A129L16-L20 HydrophobicContact CD1-CD1 4.2Å; L16-L20 HydrophobicContact CD1-CG 4.29Å; L16-L20 HydrophobicContact CG-CD1 4.05Å; L16-L20 VanDerWaalsContact O-CG 3.32Å; L16-L20 WeakPolarHBondContact O-CG 2.9Å; L16-L20 PolarHBondContact O-N 3.49Å; P17-L20 PolarHBondContact O-N 3.13Å; L20-A23 PolarHBondContact O-N 3.24Å; L20-A24 WeakPolarHBondContact O-CB 3.45Å; L20-A24 PolarHBondContact O-N 2.97Å; L20-Y35 HydrophobicContact CD2-CD1 3.88Å; L20-Y35 HydrophobicContact CD2-CG 4.33Å; L20-L38 HydrophobicContact CD1-CB 3.83Å; L20-A39 HydrophobicContact CB-CB 4.12Å; L20-T65 HydrophobicContact CD1-CG2 4.21Å; L20-T65 HydrophobicContact CD2-CG2 4.35Å; L20-A129 HydrophobicContact CD2-CB 4.47Å
21L85.5Confident83Confident17 Ų1731.7 Ų31.79%0.08918%0.177CC..Hα-helixtrans-66.8-38.8174.9-75.4168.1000111.7P17 A24 I25 A39 F249 L317P17-L21 WeakPolarHBondContact O-CB 3.49Å; P17-L21 VanDerWaalsContact O-CG 3.3Å; P17-L21 WeakPolarHBondContact O-CG 3.48Å; P17-L21 PolarHBondContact O-N 2.74Å; L21-A24 WeakPolarHBondContact O-CB 3.42Å; L21-A24 PolarHBondContact O-N 3.49Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å; L21-I25 PolarHBondContact O-N 3.07Å; L21-A39 HydrophobicContact CD1-CB 4.3Å; L21-A39 HydrophobicContact CD2-CB 4.12Å; L21-A39 HydrophobicContact CG-CB 3.74Å; L21-F249 HydrophobicContact CD2-CE1 4.28Å; L21-F249 HydrophobicContact CD2-CZ 4.37Å; L21-L317 HydrophobicContact CD1-CD1 4.44Å; L21-L317 HydrophobicContact CD1-CD2 4Å
22A85.1Confident83Confident39 Ų3931.3 Ų31.332%0.32217%0.174SC..Hα-helixtrans-61.7-46.4174.400000111.2A18 A19 A24 I25 I26A18-A22 VanDerWaalsContact O-CB 3.25Å; A18-A22 WeakPolarHBondContact O-CB 3.45Å; A18-A22 PolarHBondContact O-N 3.36Å; A19-A22 PolarHBondContact O-N 3.07Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.97Å; A22-I25 PolarHBondContact O-N 3.3Å; A22-I26 WeakPolarHBondContact O-CD1 3.38Å; A22-I26 WeakPolarHBondContact O-CG1 3.42Å; A22-I26 PolarHBondContact O-N 3.08Å
23A83.8Confident83.1Confident1 Ų132.8 Ų32.81%0.00818%0.181CC..Hα-helixtrans-60-38.7174.700000112.2A19 L20 Y35 P125 A129A19-A23 WeakPolarHBondContact O-CB 3.03Å; A19-A23 PolarHBondContact O-N 3Å; L20-A23 PolarHBondContact O-N 3.24Å; A23-Y35 HydrophobicContact CB-CD2 4.15Å; A23-Y35 HydrophobicContact CB-CE2 4.32Å; A23-P125 HydrophobicContact CB-CB 4.09Å; A23-A129 HydrophobicContact CB-CB 4.14Å
24A84.8Confident83.6Confident0 Ų031 Ų310%018%0.179CC..Hα-helixtrans-66.2-48.417800000112.8L20 L21 A22 I26 R27 V36 Y253L20-A24 WeakPolarHBondContact O-CB 3.45Å; L20-A24 PolarHBondContact O-N 2.97Å; L21-A24 WeakPolarHBondContact O-CB 3.42Å; L21-A24 PolarHBondContact O-N 3.49Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.97Å; A24-I26 VanDerWaalsContact C-N 3.26Å; A24-I26 PolarHBondContact O-N 3.42Å; A24-R27 CarbonylContact O-C 3.45Å; A24-R27 VanDerWaalsContact O-C 3.25Å; A24-R27 PolarHBondContact O-N 3.19Å; A24-V36 HydrophobicContact CB-CG2 3.62Å; A24-Y253 VanDerWaalsContact C-OH 3.31Å; A24-Y253 HydrophobicContact CB-CE2 4.16Å; A24-Y253 WeakPolarHBondContact CB-OH 3.46Å; A24-Y253 PolarHBondContact O-OH 2.89Å
25I80.6Confident84.2Confident97 Ų9725.4 Ų25.450%0.49715%0.15SC..Hα-helixtrans-61-36179.5-68.4164.5000111.4L21 A22 R27L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.29Å; L21-I25 PolarHBondContact O-N 3.07Å; A22-I25 PolarHBondContact O-N 3.3Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 2.67Å
26I79Confident84.3Confident26 Ų2621.9 Ų21.913%0.13313%0.131CC..Hα-helixtrans-66.5-35.6-178.5-67.6163000112.3A22 A24 R121 L124 P125 I128 F291A22-I26 WeakPolarHBondContact O-CD1 3.38Å; A22-I26 WeakPolarHBondContact O-CG1 3.42Å; A22-I26 PolarHBondContact O-N 3.08Å; A24-I26 VanDerWaalsContact C-N 3.26Å; A24-I26 PolarHBondContact O-N 3.42Å; I26-R121 HydrophobicContact CG2-CG 4.36Å; I26-R121 PolarHBondContact O-NE 3.33Å; I26-L124 HydrophobicContact CD1-CD2 4.23Å; I26-P125 HydrophobicContact CB-CG 3.98Å; I26-P125 HydrophobicContact CG2-CG 3.55Å; I26-I128 HydrophobicContact CD1-CD1 3.67Å; I26-F291 HydrophobicContact CB-CZ 4.19Å; I26-F291 HydrophobicContact CG1-CZ 4.26Å; I26-F291 HydrophobicContact CG2-CE2 3.9Å; I26-F291 HydrophobicContact CG2-CZ 3.93Å
27R79.4Confident84.3Confident9 Ų925.9 Ų25.93%0.03415%0.152CC..SBendtrans-136.385.4-179.2-166.7-178.980.1-155.4-3.8110.7A24 I25 S29 S32 G107 A122 P125 E126A24-R27 CarbonylContact O-C 3.45Å; A24-R27 VanDerWaalsContact O-C 3.25Å; A24-R27 PolarHBondContact O-N 3.19Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 2.67Å; R27-S29 PolarHBondContact O-N 3.42Å; R27-S32 WeakPolarHBondContact O-CB 3.48Å; R27-S32 PolarHBondContact O-OG 3.15Å; R27-G107 PolarHBondContact NE-O 3.02Å; R27-G107 PolarHBondContact NH1-O 2.73Å; R27-A122 PolarHBondContact NH1-O 3.05Å; R27-P125 HydrophobicContact CB-CG 3.88Å; R27-E126 IonicContact CZ-OE1 2.67Å; R27-E126 IonicContact NH1-OE1 2.73Å; R27-E126 PolarHBondContact NH1-OE1 3.28Å; R27-E126 VanDerWaalsContact NH1-OE1 3.1Å; R27-E126 IonicContact NH2-OE1 3.57Å; R27-E126 PolarHBondContact NH2-OE1 3.34Å
28P79.2Confident84.6Confident13 Ų1327 Ų278%0.08416%0.158CC..  trans-66105.5173.526.1-32.9000110.1Q256P28-Q256 HydrophobicContact CB-CB 4.36Å
29S81.2Confident84.8Confident0 Ų024.3 Ų24.30%014%0.136CC..SBendtrans-148.9168.2-179.684.90000111.6R27 L31 S32 I33 S105 I106 G107R27-S29 PolarHBondContact O-N 3.42Å; S29-L31 VanDerWaalsContact C-N 3.27Å; S29-L31 PolarHBondContact O-N 3.36Å; S29-L31 PolarHBondContact OG-N 3.03Å; S29-S32 PolarHBondContact N-OG 3.21Å; S29-S32 WeakPolarHBondContact O-CB 3.46Å; S29-S32 PolarHBondContact O-N 3.47Å; S29-S32 PolarHBondContact O-OG 2.67Å; S29-S32 PolarHBondContact OG-N 3.09Å; S29-I33 PolarHBondContact O-N 3.23Å; S29-S105 WeakPolarHBondContact CA-O 3.44Å; S29-S105 WeakPolarHBondContact CB-O 3.25Å; S29-I106 WeakPolarHBondContact CB-O 3.37Å; S29-I106 PolarHBondContact OG-O 3.37Å; S29-G107 VanDerWaalsContact CB-CA 3.49Å; S29-G107 WeakPolarHBondContact OG-CA 3.25Å
30F84.7Confident84.7Confident79 Ų7924.5 Ų24.535%0.34614%0.135SC..Hα-helixtrans-59.8-35.8176.3-73.3-70.9000113.1S32 I33 S105 I257 I259 W264F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3.36Å; F30-I33 HydrophobicContact CD1-CD1 3.91Å; F30-I33 WeakPolarHBondContact O-CB 3.44Å; F30-I33 PolarHBondContact O-N 3.33Å; F30-S105 VanDerWaalsContact CD2-O 3.25Å; F30-S105 WeakPolarHBondContact CD2-O 3.47Å; F30-S105 PolarHBondContact N-O 2.79Å; F30-I257 HydrophobicContact CD1-CD1 4.32Å; F30-I257 HydrophobicContact CE1-CD1 4.33Å; F30-I257 HydrophobicContact CE2-CG2 4.4Å; F30-I259 HydrophobicContact CE2-CG2 3.87Å; F30-I259 HydrophobicContact CZ-CG2 3.86Å; F30-W264 HydrophobicContact CZ-CH2 4.37Å
31L84.8Confident84.6Confident47 Ų4727.9 Ų27.925%0.24616%0.155CC..Hα-helixtrans-62.4-37.1173.6-71.9166.8000112.7S29 I33 G34 V72 I106S29-L31 VanDerWaalsContact C-N 3.27Å; S29-L31 PolarHBondContact O-N 3.36Å; S29-L31 PolarHBondContact OG-N 3.03Å; L31-I33 VanDerWaalsContact C-N 3.28Å; L31-I33 PolarHBondContact O-N 3.43Å; L31-G34 PolarHBondContact O-N 2.86Å; L31-G34 VanDerWaalsContact O-N 3.08Å; L31-V72 HydrophobicContact CD1-CG1 4.25Å; L31-V72 HydrophobicContact CD2-CG2 4.27Å; L31-I106 WeakPolarHBondContact CB-O 3.31Å; L31-I106 HydrophobicContact CD1-CG2 4.06Å; L31-I106 WeakPolarHBondContact CD1-O 3.33Å; L31-I106 HydrophobicContact CG-CG2 4.19Å; L31-I106 WeakPolarHBondContact CG-O 3.07Å; L31-I106 PolarHBondContact N-O 2.79Å; L31-I106 VanDerWaalsContact N-O 3.07Å
32S83.6Confident84.6Confident1 Ų127 Ų271%0.00715%0.151CC..Hα-helixtrans-69.8-21.5-17973.40000114.1R27 S29 F30 G34 Y35 V36 Y253R27-S32 WeakPolarHBondContact O-CB 3.48Å; R27-S32 PolarHBondContact O-OG 3.15Å; S29-S32 PolarHBondContact N-OG 3.21Å; S29-S32 WeakPolarHBondContact O-CB 3.46Å; S29-S32 PolarHBondContact O-N 3.47Å; S29-S32 PolarHBondContact O-OG 2.67Å; S29-S32 PolarHBondContact OG-N 3.09Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S32 PolarHBondContact O-N 3.36Å; S32-G34 PolarHBondContact O-N 3.21Å; S32-Y35 WeakPolarHBondContact O-CB 3.44Å; S32-Y35 PolarHBondContact O-N 3.29Å; S32-V36 PolarHBondContact O-N 2.6Å; S32-V36 VanDerWaalsContact O-N 3.11Å; S32-Y253 WeakPolarHBondContact CB-OH 3.29Å; S32-Y253 PolarHBondContact OG-OH 2.83Å
33I84.8Confident84.2Confident35 Ų3525.7 Ų25.718%0.17914%0.14CC..Hα-helixtrans-57.6-34.6170.3-62176.1000109.8S29 F30 L31 Y35 V36 L37 Y253 I257S29-I33 PolarHBondContact O-N 3.23Å; F30-I33 HydrophobicContact CD1-CD1 3.91Å; F30-I33 WeakPolarHBondContact O-CB 3.44Å; F30-I33 PolarHBondContact O-N 3.33Å; L31-I33 VanDerWaalsContact C-N 3.28Å; L31-I33 PolarHBondContact O-N 3.43Å; I33-Y35 VanDerWaalsContact C-N 3.35Å; I33-Y35 PolarHBondContact O-N 3.03Å; I33-V36 PolarHBondContact O-N 2.67Å; I33-L37 HydrophobicContact CG2-CD1 4.03Å; I33-L37 HydrophobicContact CG2-CG 4.28Å; I33-L37 WeakPolarHBondContact O-CB 3.48Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 2.89Å; I33-Y253 HydrophobicContact CG1-CD1 4.42Å; I33-Y253 HydrophobicContact CG1-CE1 4.15Å; I33-I257 HydrophobicContact CD1-CD1 3.82Å; I33-I257 HydrophobicContact CG1-CD1 4.26Å
34G86.8Confident84Confident18 Ų1830 Ų3019%0.18617%0.166CC..Hα-helixtrans-58.8-42.3172.600000112.8L31 S32 L37 L38L31-G34 PolarHBondContact O-N 2.86Å; L31-G34 VanDerWaalsContact O-N 3.08Å; S32-G34 PolarHBondContact O-N 3.21Å; G34-L37 PolarHBondContact O-N 2.98Å; G34-L38 WeakPolarHBondContact O-CB 3.36Å; G34-L38 WeakPolarHBondContact O-CG 3.03Å; G34-L38 PolarHBondContact O-N 3.39Å
35Y89.6Confident83.7Confident1 Ų130.4 Ų30.40%0.00417%0.168CC..Hα-helixtrans-66.6-40.9176.1-57.2-37000112.5L20 A23 S32 I33 L38 A39 F68 E126 A129L20-Y35 HydrophobicContact CD2-CD1 3.88Å; L20-Y35 HydrophobicContact CD2-CG 4.33Å; A23-Y35 HydrophobicContact CB-CD2 4.15Å; A23-Y35 HydrophobicContact CB-CE2 4.32Å; S32-Y35 WeakPolarHBondContact O-CB 3.44Å; S32-Y35 PolarHBondContact O-N 3.29Å; I33-Y35 VanDerWaalsContact C-N 3.35Å; I33-Y35 PolarHBondContact O-N 3.03Å; Y35-L38 PolarHBondContact O-N 3.32Å; Y35-A39 WeakPolarHBondContact O-CB 3.5Å; Y35-A39 PolarHBondContact O-N 2.9Å; Y35-F68 HydrophobicContact CD1-CD1 4.07Å; Y35-F68 AromaticContact CD1-CE1 3.78Å; Y35-F68 HydrophobicContact CD1-CE1 3.78Å; Y35-F68 AromaticContact CE1-CD1 3.84Å; Y35-F68 HydrophobicContact CE1-CD1 3.84Å; Y35-F68 AromaticContact CE1-CE1 3.64Å; Y35-F68 HydrophobicContact CE1-CE1 3.64Å; Y35-E126 PolarHBondContact OH-OE2 3.22Å; Y35-A129 HydrophobicContact CE1-CB 4.28Å
36V86.7Confident83.3Confident3 Ų328.3 Ų28.32%0.01816%0.161CC..Hα-helixtrans-63.4-45176.61780000110.9A24 S32 I33 A39 L40 F249 Y253A24-V36 HydrophobicContact CB-CG2 3.62Å; S32-V36 PolarHBondContact O-N 2.6Å; S32-V36 VanDerWaalsContact O-N 3.11Å; I33-V36 PolarHBondContact O-N 2.67Å; V36-A39 PolarHBondContact O-N 2.83Å; V36-L40 HydrophobicContact CG1-CD1 4.05Å; V36-L40 HydrophobicContact CG1-CG 4.4Å; V36-L40 WeakPolarHBondContact O-CG 3.3Å; V36-L40 PolarHBondContact O-N 2.99Å; V36-F249 HydrophobicContact CG1-CD1 4.26Å; V36-F249 HydrophobicContact CG1-CE1 3.91Å; V36-Y253 HydrophobicContact CG2-CD1 4.07Å; V36-Y253 HydrophobicContact CG2-CD2 4.13Å; V36-Y253 HydrophobicContact CG2-CE1 3.8Å; V36-Y253 HydrophobicContact CG2-CE2 3.86Å; V36-Y253 HydrophobicContact CG2-CG 4.23Å
37L87.9Confident82.7Confident85 Ų8529.4 Ų29.445%0.44517%0.17SC..Hα-helixtrans-61.2-45.4176.1-73.2172.2000111.6I33 G34 A39 L40 V41 L250I33-L37 HydrophobicContact CG2-CD1 4.03Å; I33-L37 HydrophobicContact CG2-CG 4.28Å; I33-L37 WeakPolarHBondContact O-CB 3.48Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-L37 PolarHBondContact O-N 2.89Å; G34-L37 PolarHBondContact O-N 2.98Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-A39 PolarHBondContact O-N 2.89Å; L37-L40 PolarHBondContact O-N 3.17Å; L37-V41 WeakPolarHBondContact O-CB 3.41Å; L37-V41 WeakPolarHBondContact O-CG2 2.82Å; L37-V41 PolarHBondContact O-N 2.8Å; L37-L250 HydrophobicContact CD2-CD1 4.15Å
38L88.9Confident82.3Confident24 Ų2429.6 Ų29.613%0.12617%0.171CC..Hα-helixtrans-62.5-38.1176.4-71168.8000112L20 G34 Y35 S42 F61 T65 F68L20-L38 HydrophobicContact CD1-CB 3.83Å; G34-L38 WeakPolarHBondContact O-CB 3.36Å; G34-L38 WeakPolarHBondContact O-CG 3.03Å; G34-L38 PolarHBondContact O-N 3.39Å; Y35-L38 PolarHBondContact O-N 3.32Å; L38-S42 PolarHBondContact O-N 3.04Å; L38-S42 VanDerWaalsContact O-N 3.08Å; L38-F61 HydrophobicContact CD2-CE2 3.89Å; L38-F61 WeakPolarHBondContact O-CZ 3.47Å; L38-T65 HydrophobicContact CD1-CG2 4.35Å; L38-F68 HydrophobicContact CD1-CB 4.43Å; L38-F68 HydrophobicContact CD1-CD1 3.85Å; L38-F68 HydrophobicContact CD1-CE1 4.48Å; L38-F68 HydrophobicContact CD1-CG 4.29Å
39A87.3Confident81.6Confident0 Ų035.3 Ų35.30%019%0.191CC..Hα-helixtrans-66.9-45.4176.200000112.6P17 L20 L21 Y35 V36 L37 V41 S42P17-A39 HydrophobicContact CB-CB 4.17Å; L20-A39 HydrophobicContact CB-CB 4.12Å; L21-A39 HydrophobicContact CD1-CB 4.3Å; L21-A39 HydrophobicContact CD2-CB 4.12Å; L21-A39 HydrophobicContact CG-CB 3.74Å; Y35-A39 WeakPolarHBondContact O-CB 3.5Å; Y35-A39 PolarHBondContact O-N 2.9Å; V36-A39 PolarHBondContact O-N 2.83Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-A39 PolarHBondContact O-N 2.89Å; A39-V41 VanDerWaalsContact C-N 3.34Å; A39-V41 PolarHBondContact O-N 3.17Å; A39-S42 WeakPolarHBondContact O-CB 3.35Å; A39-S42 PolarHBondContact O-N 2.98Å
40L86.4Confident80.5Confident18 Ų1843.7 Ų43.79%0.09423%0.227CC..Hα-helixtrans-63.5-38.9176.4-69.3173.2000111.8V36 L37 S42 A43 F320V36-L40 HydrophobicContact CG1-CD1 4.05Å; V36-L40 HydrophobicContact CG1-CG 4.4Å; V36-L40 WeakPolarHBondContact O-CG 3.3Å; V36-L40 PolarHBondContact O-N 2.99Å; L37-L40 PolarHBondContact O-N 3.17Å; L40-S42 VanDerWaalsContact C-N 3.34Å; L40-S42 PolarHBondContact O-N 3.24Å; L40-A43 PolarHBondContact O-N 3.01Å; L40-F320 HydrophobicContact CD2-CD1 3.9Å; L40-F320 HydrophobicContact CD2-CE1 3.55Å; L40-F320 HydrophobicContact CD2-CZ 3.95Å
41V86.6Confident79.4Confident72 Ų7244.9 Ų44.944%0.43625%0.245SC..Hα-helixtrans-65.3-36.3176.3169.30000111.6L37 A39 A43 V44 L45 F61L37-V41 WeakPolarHBondContact O-CB 3.41Å; L37-V41 WeakPolarHBondContact O-CG2 2.82Å; L37-V41 PolarHBondContact O-N 2.8Å; A39-V41 VanDerWaalsContact C-N 3.34Å; A39-V41 PolarHBondContact O-N 3.17Å; V41-A43 VanDerWaalsContact C-N 3.29Å; V41-A43 PolarHBondContact O-N 3.13Å; V41-V44 WeakPolarHBondContact O-CB 3.28Å; V41-V44 PolarHBondContact O-N 3.16Å; V41-L45 PolarHBondContact O-N 3.37Å; V41-F61 HydrophobicContact CB-CE2 4.31Å; V41-F61 HydrophobicContact CG1-CD2 4.12Å; V41-F61 HydrophobicContact CG1-CE2 3.92Å
42S84.8Confident78.2Confident0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-58.8-38.8179.3178.80000113.1V12 P17 L38 A39 L40 V44 L45V12-S42 PolarHBondContact O-OG 2.88Å; P17-S42 VanDerWaalsContact CG-OG 3.27Å; P17-S42 WeakPolarHBondContact CG-OG 3.5Å; L38-S42 PolarHBondContact O-N 3.04Å; L38-S42 VanDerWaalsContact O-N 3.08Å; A39-S42 WeakPolarHBondContact O-CB 3.35Å; A39-S42 PolarHBondContact O-N 2.98Å; L40-S42 VanDerWaalsContact C-N 3.34Å; L40-S42 PolarHBondContact O-N 3.24Å; S42-V44 PolarHBondContact O-N 3.48Å; S42-V44 VanDerWaalsContact O-N 3.12Å; S42-L45 WeakPolarHBondContact O-CB 3.37Å; S42-L45 PolarHBondContact O-N 3.43Å; S42-L45 VanDerWaalsContact O-N 3.13Å
43A77.6Confident77.2Confident11 Ų1152.2 Ų52.29%0.09130%0.297CS..Hα-helixtrans-60.2-25.1176.400000112.8L40 V41 F320 Y321 V324 K328L40-A43 PolarHBondContact O-N 3.01Å; V41-A43 VanDerWaalsContact C-N 3.29Å; V41-A43 PolarHBondContact O-N 3.13Å; A43-F320 HydrophobicContact CB-CE1 4Å; A43-Y321 HydrophobicContact CB-CD1 3.94Å; A43-Y321 HydrophobicContact CB-CE1 3.58Å; A43-V324 HydrophobicContact CB-CG1 4.44Å; A43-V324 WeakPolarHBondContact O-CG1 3.21Å; A43-K328 WeakPolarHBondContact O-CE 3.37Å; A43-K328 PolarHBondContact O-NZ 2.92Å
44V80.5Confident76.4Confident92 Ų9253 Ų5356%0.55830%0.301SS*.Hα-helixtrans-87.7-16.9-178.2-171.90000112.5V41 S42 K328V41-V44 WeakPolarHBondContact O-CB 3.28Å; V41-V44 PolarHBondContact O-N 3.16Å; S42-V44 PolarHBondContact O-N 3.48Å; S42-V44 VanDerWaalsContact O-N 3.12Å; V44-K328 WeakPolarHBondContact O-CE 3.39Å; V44-K328 PolarHBondContact O-NZ 3.34Å
45L78.4Confident75.7Confident7 Ų754 Ų544%0.03731%0.305CS..SBendtrans-63.4147.4-178.1-66.8169.4000115.4V12 K13 V41 S42 L57 F61 K328V12-L45 HydrophobicContact CG1-CD1 3.97Å; K13-L45 WeakPolarHBondContact CE-O 3.35Å; V41-L45 PolarHBondContact O-N 3.37Å; S42-L45 WeakPolarHBondContact O-CB 3.37Å; S42-L45 PolarHBondContact O-N 3.43Å; S42-L45 VanDerWaalsContact O-N 3.13Å; L45-L57 HydrophobicContact CD2-CD2 3.76Å; L45-L57 HydrophobicContact CD2-CG 4.4Å; L45-F61 HydrophobicContact CD1-CB 4.37Å; L45-F61 HydrophobicContact CD1-CD1 3.41Å; L45-F61 VanDerWaalsContact CD1-CD1 3.41Å; L45-F61 HydrophobicContact CD1-CD2 4.3Å; L45-F61 HydrophobicContact CD1-CE1 3.64Å; L45-F61 HydrophobicContact CD1-CE2 4.49Å; L45-F61 HydrophobicContact CD1-CG 3.76Å; L45-F61 HydrophobicContact CD1-CZ 4.19Å; L45-F61 HydrophobicContact CD2-CB 4.42Å; L45-F61 HydrophobicContact CD2-CG 4.46Å; L45-K328 PolarHBondContact O-NZ 2.9Å
46P71.1Confident75Confident54 Ų5463.1 Ų63.135%0.35134%0.344SS..PPolyproline II helixtrans-67.8147.9177.527.4-33000112.4V58P46-V58 HydrophobicContact CG-CG2 4.11Å
47P67.5Low74.7Confident49 Ų4968.3 Ų68.332%0.31837%0.371SS..PPolyproline II helixtrans-69.6145.3174.427.9-31.5000112.6R49P47-R49 PolarHBondContact O-N 3.31Å
48I69.9Low74.3Confident13 Ų1364.3 Ų64.37%0.06735%0.35CS..  trans-76.6114.1174.1-58.7170.7000108.3P5 K8 V12 L54P5-I48 HydrophobicContact CB-CG2 4.37Å; K8-I48 HydrophobicContact CB-CD1 3.59Å; K8-I48 HydrophobicContact CB-CG2 4.48Å; V12-I48 HydrophobicContact CG2-CD1 4.47Å; I48-L54 HydrophobicContact CD1-CD1 4.13Å; I48-L54 HydrophobicContact CG1-CD1 4.39Å
49R64.8Low73.8Confident132 Ų13263.6 Ų63.650%0.49835%0.349SS..  trans-96.9159.6-174.8-68.1-172.7-178.6-162.7-0.6111.9P47 S51P47-R49 PolarHBondContact O-N 3.31Å; R49-S51 VanDerWaalsContact C-N 3.26Å; R49-S51 PolarHBondContact O-N 3.5Å
50K57.9Low73.7Confident176 Ų17667.1 Ų67.177%0.76537%0.37SS*.THydrogen-bonded Turntrans-65.6-21.1-179.3-76.5180177.1-172.30114.4P5P5-K50 HydrophobicContact CG-CG 3.68Å
51S62.1Low73.7Confident104 Ų10467 Ų6773%0.72737%0.369SS*.THydrogen-bonded Turntrans-1204.3-166.257.80000115.4R49R49-S51 VanDerWaalsContact C-N 3.26Å; R49-S51 PolarHBondContact O-N 3.5Å
52L60.1Low73.6Confident112 Ų11263.6 Ų63.659%0.58635%0.348SS*.SBendtrans-127.8140.6-177-91.289000111.2
53A62.2Low73.7Confident91 Ų9166.8 Ų66.875%0.75237%0.365SS*.PPolyproline II helixtrans-51.1147167.100000111P55A53-P55 VanDerWaalsContact O-N 3.16Å
54L67.3Low74.2Confident51 Ų5170.7 Ų70.727%0.26738%0.383SS..PPolyproline II helixtrans-49.4122.4-179.3-170.580.3000109.9I48 K56 V140I48-L54 HydrophobicContact CD1-CD1 4.13Å; I48-L54 HydrophobicContact CG1-CD1 4.39Å; L54-K56 PolarHBondContact O-N 3.44Å; L54-V140 HydrophobicContact CD1-CG1 3.61Å; L54-V140 HydrophobicContact CD2-CG1 3.74Å; L54-V140 HydrophobicContact CG-CG1 4.32Å
55P71.7Confident74.5Confident40 Ų4066.3 Ų66.326%0.2636%0.357SS..PPolyproline II helixtrans-60.2130.3-177.6-21.129.9000110.6A53 L57 V58 G59A53-P55 VanDerWaalsContact O-N 3.16Å; P55-L57 PolarHBondContact O-N 3.2Å; P55-L57 VanDerWaalsContact O-N 3.11Å; P55-V58 HydrophobicContact CB-CB 4.44Å; P55-V58 HydrophobicContact CB-CG2 4.1Å; P55-V58 HydrophobicContact CG-CG2 4.19Å; P55-V58 PolarHBondContact O-N 3.07Å; P55-G59 PolarHBondContact O-N 3.48Å; P55-G59 VanDerWaalsContact O-N 3.15Å
56K76.1Confident74.9Confident191 Ų19168.7 Ų68.783%0.8337%0.367SS*.Hα-helixtrans-48.2-44.6179.3-71.5-174.8178.6-179.20111.6L54 V58 G59 T60L54-K56 PolarHBondContact O-N 3.44Å; K56-V58 VanDerWaalsContact C-N 3.31Å; K56-V58 PolarHBondContact O-N 3.49Å; K56-G59 PolarHBondContact O-N 3.23Å; K56-G59 VanDerWaalsContact O-N 3.16Å; K56-T60 WeakPolarHBondContact O-CB 3.49Å; K56-T60 PolarHBondContact O-N 3.13Å; K56-T60 PolarHBondContact O-OG1 3.43Å
57L80.1Confident75.8Confident112 Ų11270.7 Ų70.759%0.58637%0.374SS*.Hα-helixtrans-56-39.8177.8-162.290.8000113.7L45 P55 F61L45-L57 HydrophobicContact CD2-CD2 3.76Å; L45-L57 HydrophobicContact CD2-CG 4.4Å; P55-L57 PolarHBondContact O-N 3.2Å; P55-L57 VanDerWaalsContact O-N 3.11Å; L57-F61 VanDerWaalsContact O-CB 3.24Å; L57-F61 WeakPolarHBondContact O-CB 3.4Å; L57-F61 PolarHBondContact O-N 3.48Å
58V79.5Confident76.9Confident1 Ų171.6 Ų71.61%0.00637%0.373CS..Hα-helixtrans-72.7-42.1178.91760000110.2P46 P55 K56 F61 V62P46-V58 HydrophobicContact CG-CG2 4.11Å; P55-V58 HydrophobicContact CB-CB 4.44Å; P55-V58 HydrophobicContact CB-CG2 4.1Å; P55-V58 HydrophobicContact CG-CG2 4.19Å; P55-V58 PolarHBondContact O-N 3.07Å; K56-V58 VanDerWaalsContact C-N 3.31Å; K56-V58 PolarHBondContact O-N 3.49Å; V58-F61 PolarHBondContact O-N 3.09Å; V58-V62 VanDerWaalsContact O-CG2 3.3Å; V58-V62 WeakPolarHBondContact O-CG2 3.48Å; V58-V62 PolarHBondContact O-N 3.23Å; V58-V62 VanDerWaalsContact O-N 3.11Å
59G78.7Confident77.8Confident9 Ų971 Ų719%0.09337%0.37CS..Hα-helixtrans-60.1-48.4173.100000112.2P55 K56 F61 V62 I63P55-G59 PolarHBondContact O-N 3.48Å; P55-G59 VanDerWaalsContact O-N 3.15Å; K56-G59 PolarHBondContact O-N 3.23Å; K56-G59 VanDerWaalsContact O-N 3.16Å; G59-F61 PolarHBondContact O-N 3.36Å; G59-V62 PolarHBondContact O-N 3Å; G59-I63 WeakPolarHBondContact O-CD1 3.24Å; G59-I63 VanDerWaalsContact O-CG1 3.26Å; G59-I63 WeakPolarHBondContact O-CG1 3.38Å; G59-I63 PolarHBondContact O-N 3.41Å; G59-I63 VanDerWaalsContact O-N 3.1Å
60T83.6Confident78.9Confident74 Ų7468 Ų6845%0.45436%0.364SS..Hα-helixtrans-63.2-41.8178.1-45.70000112K56 I63 I64K56-T60 WeakPolarHBondContact O-CB 3.49Å; K56-T60 PolarHBondContact O-N 3.13Å; K56-T60 PolarHBondContact O-OG1 3.43Å; T60-I63 PolarHBondContact O-N 3.28Å; T60-I64 HydrophobicContact CG2-CD1 3.79Å; T60-I64 HydrophobicContact CG2-CG1 4.31Å; T60-I64 WeakPolarHBondContact O-CB 3.38Å; T60-I64 VanDerWaalsContact O-CG1 3.26Å; T60-I64 WeakPolarHBondContact O-CG1 3.4Å; T60-I64 PolarHBondContact O-N 3.46Å
61F86.1Confident80.4Confident16 Ų1662.4 Ų62.47%0.0735%0.35CS..Hα-helixtrans-61.2-45.7177.4172-99000112.3L16 L38 V41 L45 L57 V58 G59 I63 I64 T65L16-F61 HydrophobicContact CD2-CE1 3.67Å; L16-F61 HydrophobicContact CD2-CZ 4.37Å; L38-F61 HydrophobicContact CD2-CE2 3.89Å; L38-F61 WeakPolarHBondContact O-CZ 3.47Å; V41-F61 HydrophobicContact CB-CE2 4.31Å; V41-F61 HydrophobicContact CG1-CD2 4.12Å; V41-F61 HydrophobicContact CG1-CE2 3.92Å; L45-F61 HydrophobicContact CD1-CB 4.37Å; L45-F61 HydrophobicContact CD1-CD1 3.41Å; L45-F61 VanDerWaalsContact CD1-CD1 3.41Å; L45-F61 HydrophobicContact CD1-CD2 4.3Å; L45-F61 HydrophobicContact CD1-CE1 3.64Å; L45-F61 HydrophobicContact CD1-CE2 4.49Å; L45-F61 HydrophobicContact CD1-CG 3.76Å; L45-F61 HydrophobicContact CD1-CZ 4.19Å; L45-F61 HydrophobicContact CD2-CB 4.42Å; L45-F61 HydrophobicContact CD2-CG 4.46Å; L57-F61 VanDerWaalsContact O-CB 3.24Å; L57-F61 WeakPolarHBondContact O-CB 3.4Å; L57-F61 PolarHBondContact O-N 3.48Å; V58-F61 PolarHBondContact O-N 3.09Å; G59-F61 PolarHBondContact O-N 3.36Å; F61-I63 VanDerWaalsContact C-N 3.32Å; F61-I63 PolarHBondContact O-N 3.05Å; F61-I64 PolarHBondContact O-N 2.86Å; F61-T65 WeakPolarHBondContact O-CB 3.14Å; F61-T65 PolarHBondContact O-N 2.75Å; F61-T65 PolarHBondContact O-OG1 3.05Å
62V85.3Confident81.5Confident0 Ų058 Ų580%032%0.319CS..Hα-helixtrans-64.8-38.8179.4172.40000110.9V58 G59 F66 I137V58-V62 VanDerWaalsContact O-CG2 3.3Å; V58-V62 WeakPolarHBondContact O-CG2 3.48Å; V58-V62 PolarHBondContact O-N 3.23Å; V58-V62 VanDerWaalsContact O-N 3.11Å; G59-V62 PolarHBondContact O-N 3Å; V62-F66 PolarHBondContact O-N 3.45Å; V62-F66 VanDerWaalsContact O-N 3.11Å; V62-I137 HydrophobicContact CG1-CB 4.35Å; V62-I137 HydrophobicContact CG1-CD1 4.46Å; V62-I137 HydrophobicContact CG1-CG1 3.4Å; V62-I137 VanDerWaalsContact CG1-CG1 3.4Å
63I86.6Confident82.7Confident68 Ų6854.1 Ų54.135%0.34930%0.303SS..Hα-helixtrans-65.3-49.9174.7-66.5164.7000111.3G59 T60 F61 T65 F66 L67 M141G59-I63 WeakPolarHBondContact O-CD1 3.24Å; G59-I63 VanDerWaalsContact O-CG1 3.26Å; G59-I63 WeakPolarHBondContact O-CG1 3.38Å; G59-I63 PolarHBondContact O-N 3.41Å; G59-I63 VanDerWaalsContact O-N 3.1Å; T60-I63 PolarHBondContact O-N 3.28Å; F61-I63 VanDerWaalsContact C-N 3.32Å; F61-I63 PolarHBondContact O-N 3.05Å; I63-T65 VanDerWaalsContact C-N 3.27Å; I63-T65 PolarHBondContact O-N 3.03Å; I63-F66 PolarHBondContact O-N 3.48Å; I63-L67 HydrophobicContact CG2-CD1 3.84Å; I63-L67 HydrophobicContact CG2-CG 4.28Å; I63-L67 WeakPolarHBondContact O-CG 3.35Å; I63-L67 PolarHBondContact O-N 3.44Å; I63-M141 HydrophobicContact CD1-CE 3.81Å; I63-M141 HydrophobicContact CD1-SD 4.44Å; I63-M141 HydrophobicContact CG1-CE 3.84Å
64I87.7Confident83.9Confident93 Ų9355.3 Ų55.348%0.47730%0.296SS..Hα-helixtrans-59-41.5178.3-71170000110.5T60 F61 F66 L67 F68T60-I64 HydrophobicContact CG2-CD1 3.79Å; T60-I64 HydrophobicContact CG2-CG1 4.31Å; T60-I64 WeakPolarHBondContact O-CB 3.38Å; T60-I64 VanDerWaalsContact O-CG1 3.26Å; T60-I64 WeakPolarHBondContact O-CG1 3.4Å; T60-I64 PolarHBondContact O-N 3.46Å; F61-I64 PolarHBondContact O-N 2.86Å; I64-F66 PolarHBondContact O-N 3.25Å; I64-L67 PolarHBondContact O-N 3.36Å; I64-F68 WeakPolarHBondContact O-CB 3.47Å; I64-F68 PolarHBondContact O-N 2.99Å
65T87.2Confident84.7Confident0 Ų054.2 Ų54.20%030%0.297CS..Hα-helixtrans-62.6-44.7179.4-56.60000111.2L16 L20 L38 F61 I63 F68 C69L16-T65 HydrophobicContact CD1-CG2 4.13Å; L16-T65 HydrophobicContact CD2-CG2 4.46Å; L20-T65 HydrophobicContact CD1-CG2 4.21Å; L20-T65 HydrophobicContact CD2-CG2 4.35Å; L38-T65 HydrophobicContact CD1-CG2 4.35Å; F61-T65 WeakPolarHBondContact O-CB 3.14Å; F61-T65 PolarHBondContact O-N 2.75Å; F61-T65 PolarHBondContact O-OG1 3.05Å; I63-T65 VanDerWaalsContact C-N 3.27Å; I63-T65 PolarHBondContact O-N 3.03Å; T65-F68 PolarHBondContact O-N 3.29Å; T65-C69 WeakPolarHBondContact O-CB 3.14Å; T65-C69 PolarHBondContact O-N 3.03Å; T65-C69 PolarHBondContact O-SG 2.94Å
66F88.4Confident85.2Confident56 Ų5652.7 Ų52.725%0.24629%0.287CS..Hα-helixtrans-66.6-43.3176174.5-103.9000112.8V62 I63 I64 F68 C69 L70 A133 L134 I137V62-F66 PolarHBondContact O-N 3.45Å; V62-F66 VanDerWaalsContact O-N 3.11Å; I63-F66 PolarHBondContact O-N 3.48Å; I64-F66 PolarHBondContact O-N 3.25Å; F66-F68 VanDerWaalsContact C-N 3.32Å; F66-F68 PolarHBondContact O-N 3.39Å; F66-C69 PolarHBondContact O-N 3.15Å; F66-L70 HydrophobicContact CE1-CD2 4.3Å; F66-L70 VanDerWaalsContact O-CB 3.24Å; F66-L70 WeakPolarHBondContact O-CB 3.42Å; F66-L70 PolarHBondContact O-N 3.5Å; F66-A133 HydrophobicContact CB-CB 4.25Å; F66-A133 HydrophobicContact CD2-CB 4.27Å; F66-L134 HydrophobicContact CE2-CD1 4.16Å; F66-I137 HydrophobicContact CB-CD1 3.23Å; F66-I137 HydrophobicContact CB-CG1 4.36Å; F66-I137 HydrophobicContact CD1-CD1 3.69Å; F66-I137 HydrophobicContact CD2-CD1 3.78Å; F66-I137 HydrophobicContact CE1-CD1 4.48Å; F66-I137 HydrophobicContact CG-CD1 3.28Å
67L88.8Confident85.5Confident97 Ų9745 Ų4551%0.50826%0.262SS..Hα-helixtrans-61.7-40.6176.7-71.4175.4000111.7I63 I64 L70 A71I63-L67 HydrophobicContact CG2-CD1 3.84Å; I63-L67 HydrophobicContact CG2-CG 4.28Å; I63-L67 WeakPolarHBondContact O-CG 3.35Å; I63-L67 PolarHBondContact O-N 3.44Å; I64-L67 PolarHBondContact O-N 3.36Å; L67-L70 PolarHBondContact O-N 3.27Å; L67-A71 VanDerWaalsContact O-CB 3.27Å; L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 3.11Å
68F90.7Very high85.7Confident67 Ų6743 Ų4329%0.29426%0.258SS..Hα-helixtrans-64.7-48.9174.9-174.3-100.1000111.2Y35 L38 I64 T65 F66 L70 A71 V72Y35-F68 HydrophobicContact CD1-CD1 4.07Å; Y35-F68 AromaticContact CD1-CE1 3.78Å; Y35-F68 HydrophobicContact CD1-CE1 3.78Å; Y35-F68 AromaticContact CE1-CD1 3.84Å; Y35-F68 HydrophobicContact CE1-CD1 3.84Å; Y35-F68 AromaticContact CE1-CE1 3.64Å; Y35-F68 HydrophobicContact CE1-CE1 3.64Å; L38-F68 HydrophobicContact CD1-CB 4.43Å; L38-F68 HydrophobicContact CD1-CD1 3.85Å; L38-F68 HydrophobicContact CD1-CE1 4.48Å; L38-F68 HydrophobicContact CD1-CG 4.29Å; I64-F68 WeakPolarHBondContact O-CB 3.47Å; I64-F68 PolarHBondContact O-N 2.99Å; T65-F68 PolarHBondContact O-N 3.29Å; F66-F68 VanDerWaalsContact C-N 3.32Å; F66-F68 PolarHBondContact O-N 3.39Å; F68-L70 VanDerWaalsContact C-N 3.3Å; F68-L70 PolarHBondContact O-N 3.28Å; F68-A71 PolarHBondContact O-N 3.38Å; F68-V72 HydrophobicContact CD1-CG2 4.31Å; F68-V72 HydrophobicContact CE1-CG2 3.97Å; F68-V72 HydrophobicContact CE2-CG2 4.35Å; F68-V72 HydrophobicContact CZ-CG2 3.99Å; F68-V72 VanDerWaalsContact O-CG2 3.32Å; F68-V72 WeakPolarHBondContact O-CG2 3.41Å; F68-V72 PolarHBondContact O-N 2.7Å
69C89Confident85.8Confident0 Ų044.2 Ų44.20%026%0.262CS..Hα-helixtrans-61.3-38.4177.7-63.70000112.2T65 F66 A73 T130T65-C69 WeakPolarHBondContact O-CB 3.14Å; T65-C69 PolarHBondContact O-N 3.03Å; T65-C69 PolarHBondContact O-SG 2.94Å; F66-C69 PolarHBondContact O-N 3.15Å; C69-A73 VanDerWaalsContact O-CB 3.31Å; C69-A73 WeakPolarHBondContact O-CB 3.5Å; C69-A73 PolarHBondContact O-N 2.92Å; C69-T130 HydrophobicContact CB-CG2 3.87Å
70L88.2Confident85.8Confident70 Ų7045.8 Ų45.837%0.36627%0.267SS..Hα-helixtrans-67.8-44.4176.9-174.270.1000111.7F66 L67 F68 V72 A73 L74F66-L70 HydrophobicContact CE1-CD2 4.3Å; F66-L70 VanDerWaalsContact O-CB 3.24Å; F66-L70 WeakPolarHBondContact O-CB 3.42Å; F66-L70 PolarHBondContact O-N 3.5Å; L67-L70 PolarHBondContact O-N 3.27Å; F68-L70 VanDerWaalsContact C-N 3.3Å; F68-L70 PolarHBondContact O-N 3.28Å; L70-V72 VanDerWaalsContact C-N 3.35Å; L70-V72 PolarHBondContact O-N 3.37Å; L70-A73 PolarHBondContact O-N 2.82Å; L70-L74 HydrophobicContact CG-CD1 4.21Å; L70-L74 WeakPolarHBondContact O-CB 3.18Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.34Å; L70-L74 PolarHBondContact O-N 2.93Å
71A88.3Confident85.7Confident59 Ų5947.7 Ų47.749%0.48827%0.274SS..Hα-helixtrans-63-40.7177.900000112.1L67 F68 L74 G75L67-A71 VanDerWaalsContact O-CB 3.27Å; L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 3.11Å; F68-A71 PolarHBondContact O-N 3.38Å; A71-L74 PolarHBondContact O-N 3.36Å; A71-G75 PolarHBondContact O-N 3.36Å
72V86.3Confident85.3Confident10 Ų1049.6 Ų49.66%0.06129%0.289CS..Hα-helixtrans-67.6-44.1175.6-1770000110.9L31 F68 L70 L74 G75 V76 E126L31-V72 HydrophobicContact CD1-CG1 4.25Å; L31-V72 HydrophobicContact CD2-CG2 4.27Å; F68-V72 HydrophobicContact CD1-CG2 4.31Å; F68-V72 HydrophobicContact CE1-CG2 3.97Å; F68-V72 HydrophobicContact CE2-CG2 4.35Å; F68-V72 HydrophobicContact CZ-CG2 3.99Å; F68-V72 VanDerWaalsContact O-CG2 3.32Å; F68-V72 WeakPolarHBondContact O-CG2 3.41Å; F68-V72 PolarHBondContact O-N 2.7Å; L70-V72 VanDerWaalsContact C-N 3.35Å; L70-V72 PolarHBondContact O-N 3.37Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.43Å; V72-G75 PolarHBondContact O-N 3.37Å; V72-V76 HydrophobicContact CG1-CG2 4.33Å; V72-V76 WeakPolarHBondContact O-CG2 3.31Å; V72-V76 PolarHBondContact O-N 3.36Å; V72-E126 VanDerWaalsContact CG1-OE1 3.27Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.49Å; V72-E126 VanDerWaalsContact CG1-OE2 3.26Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.31Å
73A85.9Confident84.7Confident32 Ų3250.7 Ų50.726%0.26429%0.294SS..Hα-helixtrans-59.8-40.5176.300000112.6C69 L70 G77 E126 T130C69-A73 VanDerWaalsContact O-CB 3.31Å; C69-A73 WeakPolarHBondContact O-CB 3.5Å; C69-A73 PolarHBondContact O-N 2.92Å; L70-A73 PolarHBondContact O-N 2.82Å; A73-G77 PolarHBondContact O-N 2.94Å; A73-E126 HydrophobicContact CB-CB 4.43Å; A73-T130 HydrophobicContact CB-CG2 4.02Å
74L86.9Confident83.9Confident115 Ų11553.7 Ų53.760%0.60231%0.307SS*.Hα-helixtrans-67.3-40.2174.8-72.1172.1000112.3L70 A71 V72 G77 S78L70-L74 HydrophobicContact CG-CD1 4.21Å; L70-L74 WeakPolarHBondContact O-CB 3.18Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.34Å; L70-L74 PolarHBondContact O-N 2.93Å; A71-L74 PolarHBondContact O-N 3.36Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.43Å; L74-G77 PolarHBondContact O-N 3.23Å; L74-S78 PolarHBondContact O-N 2.71Å; L74-S78 PolarHBondContact O-OG 2.93Å
75G84Confident83.2Confident28 Ų2854.9 Ų54.929%0.28932%0.318SS..Hα-helixtrans-67.3-37.7176.700000113.5A71 V72 S78 Y79A71-G75 PolarHBondContact O-N 3.36Å; V72-G75 PolarHBondContact O-N 3.37Å; G75-S78 PolarHBondContact O-OG 3.39Å; G75-Y79 WeakPolarHBondContact O-CB 2.98Å; G75-Y79 PolarHBondContact O-N 3.47Å; G75-Y79 VanDerWaalsContact O-N 3.14Å
76V83.1Confident82.4Confident8 Ų859.4 Ų59.45%0.04835%0.345CS..Hα-helixtrans-68.7-43.4172.2174.90000109.9V72 S78 Y79 Q80 L108 E126V72-V76 HydrophobicContact CG1-CG2 4.33Å; V72-V76 WeakPolarHBondContact O-CG2 3.31Å; V72-V76 PolarHBondContact O-N 3.36Å; V76-S78 PolarHBondContact O-N 3.03Å; V76-Y79 PolarHBondContact O-N 3.1Å; V76-Q80 HydrophobicContact CG1-CG 4.38Å; V76-Q80 WeakPolarHBondContact O-CG 3.08Å; V76-Q80 PolarHBondContact O-N 3.23Å; V76-L108 HydrophobicContact CG2-CD2 4.28Å; V76-E126 HydrophobicContact CG2-CG 4.29Å
77G81.1Confident81.2Confident30 Ų3059.2 Ų59.231%0.30935%0.345SS..Hα-helixtrans-58.3-45.8176.400000113.1A73 L74 Q80 I81A73-G77 PolarHBondContact O-N 2.94Å; L74-G77 PolarHBondContact O-N 3.23Å; G77-Q80 PolarHBondContact O-N 2.87Å; G77-I81 WeakPolarHBondContact O-CD1 3.23Å; G77-I81 VanDerWaalsContact O-CG1 3.22Å; G77-I81 WeakPolarHBondContact O-CG1 3.47Å; G77-I81 PolarHBondContact O-N 3.41Å; G77-I81 VanDerWaalsContact O-N 3.07Å
78S83.8Confident79.7Confident71 Ų7162.8 Ų62.850%0.49736%0.356SS..Hα-helixtrans-65.8-38.3177.363.30000112.6L74 G75 V76 I81 S82L74-S78 PolarHBondContact O-N 2.71Å; L74-S78 PolarHBondContact O-OG 2.93Å; G75-S78 PolarHBondContact O-OG 3.39Å; V76-S78 PolarHBondContact O-N 3.03Å; S78-I81 PolarHBondContact O-N 3.21Å; S78-S82 PolarHBondContact O-N 3.24Å; S78-S82 PolarHBondContact O-OG 3.41Å
79Y83.4Confident78Confident25 Ų2566.8 Ų66.810%0.09838%0.381CS..Hα-helixtrans-65.2-43.3175.3179.2-105.8000112.8G75 V76 I81 S82 E83 L108G75-Y79 WeakPolarHBondContact O-CB 2.98Å; G75-Y79 PolarHBondContact O-N 3.47Å; G75-Y79 VanDerWaalsContact O-N 3.14Å; V76-Y79 PolarHBondContact O-N 3.1Å; Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 2.66Å; Y79-S82 WeakPolarHBondContact CA-OG 3.43Å; Y79-S82 PolarHBondContact O-N 3.01Å; Y79-S82 PolarHBondContact O-OG 3.47Å; Y79-E83 HydrophobicContact CD1-CG 4.46Å; Y79-E83 HydrophobicContact CD2-CG 4.29Å; Y79-E83 HydrophobicContact CE1-CG 3.94Å; Y79-E83 HydrophobicContact CE2-CG 3.71Å; Y79-E83 PolarHBondContact O-N 2.87Å; Y79-E83 PolarHBondContact OH-OE1 3.04Å; Y79-L108 HydrophobicContact CD1-CB 3.72Å; Y79-L108 HydrophobicContact CD1-CD2 4.5Å; Y79-L108 HydrophobicContact CD2-CB 4.09Å; Y79-L108 HydrophobicContact CD2-CD1 4.19Å; Y79-L108 HydrophobicContact CE1-CB 3.92Å; Y79-L108 WeakPolarHBondContact CE1-O 3.45Å; Y79-L108 HydrophobicContact CE2-CB 4.3Å; Y79-L108 HydrophobicContact CG-CB 3.82Å; Y79-L108 HydrophobicContact CG-CD1 4.31Å; Y79-L108 HydrophobicContact CG-CD2 4.18Å; Y79-L108 HydrophobicContact CG-CG 4.32Å
80Q78.6Confident76.4Confident42 Ų4271.5 Ų71.520%0.19641%0.406CS..Hα-helixtrans-62.3-38.2175-63.7-59.2-17.100111.3V76 G77 Q84 V109V76-Q80 HydrophobicContact CG1-CG 4.38Å; V76-Q80 WeakPolarHBondContact O-CG 3.08Å; V76-Q80 PolarHBondContact O-N 3.23Å; G77-Q80 PolarHBondContact O-N 2.87Å; Q80-Q84 VanDerWaalsContact O-CB 3.28Å; Q80-Q84 WeakPolarHBondContact O-CB 3.4Å; Q80-Q84 PolarHBondContact O-N 3.15Å; Q80-Q84 VanDerWaalsContact O-N 3.12Å; Q80-V109 PolarHBondContact NE2-O 3Å
81I80.3Confident74.6Confident115 Ų11579.4 Ų79.459%0.5943%0.431SS*.Hα-helixtrans-65.3-45.7175.7-67.7164.1000110.7G77 S78 Y79 Q84 V85G77-I81 WeakPolarHBondContact O-CD1 3.23Å; G77-I81 VanDerWaalsContact O-CG1 3.22Å; G77-I81 WeakPolarHBondContact O-CG1 3.47Å; G77-I81 PolarHBondContact O-N 3.41Å; G77-I81 VanDerWaalsContact O-N 3.07Å; S78-I81 PolarHBondContact O-N 3.21Å; Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 2.66Å; I81-Q84 PolarHBondContact O-N 3.42Å; I81-V85 VanDerWaalsContact O-CG2 3.25Å; I81-V85 WeakPolarHBondContact O-CG2 3.49Å; I81-V85 PolarHBondContact O-N 2.97Å; I81-V85 VanDerWaalsContact O-N 3.12Å
82S77.7Confident73Confident55 Ų5581.7 Ų81.739%0.38544%0.439SS..Hα-helixtrans-64.7-42.6-179.858.80000112.8S78 Y79 Q84 V85 V86S78-S82 PolarHBondContact O-N 3.24Å; S78-S82 PolarHBondContact O-OG 3.41Å; Y79-S82 WeakPolarHBondContact CA-OG 3.43Å; Y79-S82 PolarHBondContact O-N 3.01Å; Y79-S82 PolarHBondContact O-OG 3.47Å; S82-Q84 PolarHBondContact O-N 2.65Å; S82-V85 PolarHBondContact O-N 3.02Å; S82-V86 WeakPolarHBondContact O-CB 3.4Å; S82-V86 VanDerWaalsContact O-CG2 3.27Å; S82-V86 WeakPolarHBondContact O-CG2 3.28Å; S82-V86 PolarHBondContact O-N 3.34Å
83E72.5Confident71.8Confident24 Ų2483.9 Ų83.911%0.11245%0.447CS..Hα-helixtrans-67-37179-75.6-72.516100112Y79 V85 H87Y79-E83 HydrophobicContact CD1-CG 4.46Å; Y79-E83 HydrophobicContact CD2-CG 4.29Å; Y79-E83 HydrophobicContact CE1-CG 3.94Å; Y79-E83 HydrophobicContact CE2-CG 3.71Å; Y79-E83 PolarHBondContact O-N 2.87Å; Y79-E83 PolarHBondContact OH-OE1 3.04Å; E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 3.25Å; E83-H87 PolarHBondContact O-N 3.11Å; E83-H87 VanDerWaalsContact O-N 3.13Å; E83-H87 IonicContact OE2-CD2 2.99Å
84Q69.8Low70.7Confident131 Ų13184 Ų8461%0.61244%0.443SS*.Hα-helixtrans-68.6-27.6176.6-167.168.10.700112.8Q80 I81 S82Q80-Q84 VanDerWaalsContact O-CB 3.28Å; Q80-Q84 WeakPolarHBondContact O-CB 3.4Å; Q80-Q84 PolarHBondContact O-N 3.15Å; Q80-Q84 VanDerWaalsContact O-N 3.12Å; I81-Q84 PolarHBondContact O-N 3.42Å; S82-Q84 PolarHBondContact O-N 2.65Å
85V74.5Confident69.6Low117 Ų11781.5 Ų81.571%0.70943%0.434SS*.Hα-helixtrans-82.5-40.5177.4171.60000111.9I81 S82 E83I81-V85 VanDerWaalsContact O-CG2 3.25Å; I81-V85 WeakPolarHBondContact O-CG2 3.49Å; I81-V85 PolarHBondContact O-N 2.97Å; I81-V85 VanDerWaalsContact O-N 3.12Å; S82-V85 PolarHBondContact O-N 3.02Å; E83-V85 VanDerWaalsContact C-N 3.29Å; E83-V85 PolarHBondContact O-N 3.25Å
86V70.2Confident68.7Low95 Ų9587.5 Ų87.558%0.57646%0.459SS*.Hα-helixtrans-90.7-35-169.2-1760000113.4S82S82-V86 WeakPolarHBondContact O-CB 3.4Å; S82-V86 VanDerWaalsContact O-CG2 3.27Å; S82-V86 WeakPolarHBondContact O-CG2 3.28Å; S82-V86 PolarHBondContact O-N 3.34Å
87H61.6Low67.9Low52 Ų5292.9 Ų92.924%0.24148%0.479CS..  trans-133.581.4-168.9-64.1-59.2000113.9E83 Y93 R110E83-H87 PolarHBondContact O-N 3.11Å; E83-H87 VanDerWaalsContact O-N 3.13Å; E83-H87 IonicContact OE2-CD2 2.99Å; H87-Y93 AromaticContact CD2-CE1 3.62Å; H87-Y93 AromaticContact CD2-CZ 3.91Å; H87-Y93 AromaticContact CE1-CZ 3.8Å; H87-Y93 AromaticContact NE2-CE1 3.66Å; H87-Y93 AromaticContact NE2-CZ 3.43Å; H87-Y93 PolarHBondContact NE2-OH 3Å; H87-R110 PolarHBondContact O-NH2 3.45Å
88K57.8Low67.2Low172 Ų17295.6 Ų95.675%0.74849%0.493SS*.SBendtrans-71.8-29.9-177.1-103177.1177.4174.70116
89N54.9Low66.5Low152 Ų15295.5 Ų95.581%0.81349%0.487SS*.SBendtrans-135-2.4-162.5-83.5-7.7000119.4
90D55.9Low65.7Low99 Ų9995 Ų9553%0.52949%0.487SS..  trans-97.7105.9-176.8-84.3-28.7000114.3T92D90-T92 VanDerWaalsContact C-N 3.3Å; D90-T92 PolarHBondContact O-N 3Å
91R51Low65.1Low235 Ų23596.2 Ų96.289%0.88750%0.497SS*.THydrogen-bonded Turntrans-70.3-23.4175.1-66.4-179-179.3170.70.5113.4
92T53.9Low64.8Low107 Ų10795.2 Ų95.266%0.65649%0.492SS*.THydrogen-bonded Turntrans-89.9-10.5-177.945.10000113.6D90 I94D90-T92 VanDerWaalsContact C-N 3.3Å; D90-T92 PolarHBondContact O-N 3Å; T92-I94 PolarHBondContact O-N 3.31Å
93Y61.9Low64.7Low56 Ų5696.5 Ų96.522%0.2249%0.491CS..Hα-helixtrans-66.3-32.5-175-177.7-106.1000113.9H87 R97 T100H87-Y93 AromaticContact CD2-CE1 3.62Å; H87-Y93 AromaticContact CD2-CZ 3.91Å; H87-Y93 AromaticContact CE1-CZ 3.8Å; H87-Y93 AromaticContact NE2-CE1 3.66Å; H87-Y93 AromaticContact NE2-CZ 3.43Å; H87-Y93 PolarHBondContact NE2-OH 3Å; Y93-R97 PolarHBondContact OH-NH1 2.94Å; Y93-T100 HydrophobicContact CE1-CG2 4.35Å
94I61.6Low64.7Low35 Ų3598 Ų9818%0.17950%0.496CS..Hα-helixtrans-77.4-31.5-166.7-60.5170.5000113T92 T100 W288T92-I94 PolarHBondContact O-N 3.31Å; I94-T100 WeakPolarHBondContact O-CB 3.34Å; I94-T100 PolarHBondContact O-OG1 3.4Å; I94-W288 HydrophobicContact CD1-CZ2 3.87Å
95C64.8Low65Low62 Ų6292.1 Ų92.142%0.41947%0.469SS..Hα-helixtrans-96.1-9.7-174.3-63.30000114.3C285C95-C285 HydrophobicContact CB-CB 3.86Å; C95-C285 WeakPolarHBondContact CB-SG 3.33Å; C95-C285 WeakPolarHBondContact SG-CB 3.19Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 3.47Å
96N64.1Low65.3Low154 Ų15489.2 Ų89.282%0.82445%0.449SS*.Hα-helixtrans-105.1-9.4-168.9-137.611.5000114.8
97R66.3Low65.4Low122 Ų12284.7 Ų84.746%0.4642%0.421SS..  trans-111.8131.9-174-162.4171.6176.1153.16.1111.2Y93 D99 T100Y93-R97 PolarHBondContact OH-NH1 2.94Å; R97-D99 HydrophobicContact CG-CB 4.22Å; R97-D99 IonicContact CZ-OD2 3.78Å; R97-D99 IonicContact NE-OD2 2.62Å; R97-D99 PolarHBondContact NE-OD2 3.39Å; R97-D99 IonicContact NH2-OD2 3.35Å; R97-D99 PolarHBondContact NH2-OD2 3.09Å; R97-D99 PolarHBondContact O-N 3.01Å; R97-T100 HydrophobicContact CB-CG2 4.31Å; R97-T100 PolarHBondContact O-N 3.29Å; R97-T100 PolarHBondContact O-OG1 3.37Å
98S66.2Low66.2Low86 Ų8683.8 Ų83.860%0.60142%0.418SS*.Hα-helixtrans-54.7-36.9176480000112.6T100 T101 L102S98-T100 VanDerWaalsContact C-N 3.33Å; S98-T100 PolarHBondContact O-N 3.1Å; S98-T101 PolarHBondContact O-N 3.47Å; S98-T101 PolarHBondContact O-OG1 3.12Å; S98-L102 PolarHBondContact O-N 2.85Å
99D69.2Low66.9Low70 Ų7077 Ų7737%0.37439%0.391SS..Hα-helixtrans-63.7-38-176.2-50.9-19.3000111.6R97 L102 F103R97-D99 HydrophobicContact CG-CB 4.22Å; R97-D99 IonicContact CZ-OD2 3.78Å; R97-D99 IonicContact NE-OD2 2.62Å; R97-D99 PolarHBondContact NE-OD2 3.39Å; R97-D99 IonicContact NH2-OD2 3.35Å; R97-D99 PolarHBondContact NH2-OD2 3.09Å; R97-D99 PolarHBondContact O-N 3.01Å; D99-L102 PolarHBondContact O-N 3.37Å; D99-F103 HydrophobicContact CB-CE2 4.33Å; D99-F103 WeakPolarHBondContact O-CD2 3.39Å; D99-F103 PolarHBondContact O-N 3.14Å; D99-F103 VanDerWaalsContact O-N 3.08Å
100T67.1Low67.7Low15 Ų1571.6 Ų71.69%0.09236%0.359CS..Hα-helixtrans-73.2-29.6-179.959.60000112Y93 I94 R97 S98 R104Y93-T100 HydrophobicContact CE1-CG2 4.35Å; I94-T100 WeakPolarHBondContact O-CB 3.34Å; I94-T100 PolarHBondContact O-OG1 3.4Å; R97-T100 HydrophobicContact CB-CG2 4.31Å; R97-T100 PolarHBondContact O-N 3.29Å; R97-T100 PolarHBondContact O-OG1 3.37Å; S98-T100 VanDerWaalsContact C-N 3.33Å; S98-T100 PolarHBondContact O-N 3.1Å; T100-R104 VanDerWaalsContact O-CB 3.25Å; T100-R104 WeakPolarHBondContact O-CB 3.4Å; T100-R104 PolarHBondContact O-N 2.89Å
101T66.3Low68.6Low66 Ų6671.6 Ų71.641%0.40535%0.354SS..Hα-helixtrans-68.2-36.1173.169.80000112.1S98 S105S98-T101 PolarHBondContact O-N 3.47Å; S98-T101 PolarHBondContact O-OG1 3.12Å; T101-S105 WeakPolarHBondContact O-CB 3.38Å; T101-S105 PolarHBondContact O-N 3.17Å; T101-S105 PolarHBondContact O-OG 2.99Å
102L73Confident69.4Low94 Ų9462.1 Ų62.149%0.49232%0.32SS..Hα-helixtrans-68.4-48.8175.8-168.1121.9000110.8S98 D99 R104 S105 I106S98-L102 PolarHBondContact O-N 2.85Å; D99-L102 PolarHBondContact O-N 3.37Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 3.29Å; L102-S105 PolarHBondContact O-N 3.4Å; L102-S105 VanDerWaalsContact O-N 3.15Å; L102-S105 PolarHBondContact O-OG 3.24Å; L102-I106 HydrophobicContact CD2-CD1 3.66Å; L102-I106 HydrophobicContact CG-CD1 4.26Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 2.96Å
103F76.5Confident69.8Low82 Ų8262 Ų6236%0.3632%0.322SS..Hα-helixtrans-60.4-39.4175.5-68.4-53000113.1D99 S105 I106 G107 L108D99-F103 HydrophobicContact CB-CE2 4.33Å; D99-F103 WeakPolarHBondContact O-CD2 3.39Å; D99-F103 PolarHBondContact O-N 3.14Å; D99-F103 VanDerWaalsContact O-N 3.08Å; F103-S105 PolarHBondContact O-N 3.41Å; F103-I106 HydrophobicContact CD1-CD1 4.4Å; F103-I106 PolarHBondContact O-N 3.41Å; F103-G107 PolarHBondContact O-N 2.93Å; F103-L108 CarbonylContact C-O 3.6Å; F103-L108 HydrophobicContact CB-CB 4.33Å; F103-L108 HydrophobicContact CD1-CD1 4.11Å; F103-L108 PolarHBondContact O-N 3.47Å
104R72.4Confident69.7Low57 Ų5764.6 Ų64.622%0.21534%0.343CS..Hα-helixtrans-62.9-40.9174.4-171.1174.572.71608.4112.2T100 L102 G107 V109 S283T100-R104 VanDerWaalsContact O-CB 3.25Å; T100-R104 WeakPolarHBondContact O-CB 3.4Å; T100-R104 PolarHBondContact O-N 2.89Å; L102-R104 VanDerWaalsContact C-N 3.33Å; L102-R104 PolarHBondContact O-N 3.29Å; R104-G107 PolarHBondContact O-N 2.83Å; R104-V109 HydrophobicContact CG-CG2 4.37Å; R104-S283 PolarHBondContact NH1-O 3.3Å
105S74.8Confident69.3Low6 Ų664.5 Ų64.54%0.04235%0.35CS..Hα-helixtrans-69.1-33176.574.60000112.9S29 F30 T101 L102 F103 G107S29-S105 WeakPolarHBondContact CA-O 3.44Å; S29-S105 WeakPolarHBondContact CB-O 3.25Å; F30-S105 VanDerWaalsContact CD2-O 3.25Å; F30-S105 WeakPolarHBondContact CD2-O 3.47Å; F30-S105 PolarHBondContact N-O 2.79Å; T101-S105 WeakPolarHBondContact O-CB 3.38Å; T101-S105 PolarHBondContact O-N 3.17Å; T101-S105 PolarHBondContact O-OG 2.99Å; L102-S105 PolarHBondContact O-N 3.4Å; L102-S105 VanDerWaalsContact O-N 3.15Å; L102-S105 PolarHBondContact O-OG 3.24Å; F103-S105 PolarHBondContact O-N 3.41Å; S105-G107 VanDerWaalsContact C-N 3.34Å
106I81.3Confident68.9Low56 Ų5667.2 Ų67.229%0.28737%0.365SS..Hα-helixtrans-65.2-40.6173.9-69.3166000110.2S29 L31 L102 F103 L108S29-I106 WeakPolarHBondContact CB-O 3.37Å; S29-I106 PolarHBondContact OG-O 3.37Å; L31-I106 WeakPolarHBondContact CB-O 3.31Å; L31-I106 HydrophobicContact CD1-CG2 4.06Å; L31-I106 WeakPolarHBondContact CD1-O 3.33Å; L31-I106 HydrophobicContact CG-CG2 4.19Å; L31-I106 WeakPolarHBondContact CG-O 3.07Å; L31-I106 PolarHBondContact N-O 2.79Å; L31-I106 VanDerWaalsContact N-O 3.07Å; L102-I106 HydrophobicContact CD2-CD1 3.66Å; L102-I106 HydrophobicContact CG-CD1 4.26Å; L102-I106 WeakPolarHBondContact O-CG1 3.3Å; L102-I106 PolarHBondContact O-N 2.96Å; F103-I106 HydrophobicContact CD1-CD1 4.4Å; F103-I106 PolarHBondContact O-N 3.41Å; I106-L108 HydrophobicContact CG2-CG 4.41Å
107G73.2Confident68.7Low0 Ų067.4 Ų67.40%036%0.359CS..THydrogen-bonded Turntrans122.39.7-179.600000113.8R27 S29 F103 R104 S105 V109R27-G107 PolarHBondContact NE-O 3.02Å; R27-G107 PolarHBondContact NH1-O 2.73Å; S29-G107 VanDerWaalsContact CB-CA 3.49Å; S29-G107 WeakPolarHBondContact OG-CA 3.25Å; F103-G107 PolarHBondContact O-N 2.93Å; R104-G107 PolarHBondContact O-N 2.83Å; S105-G107 VanDerWaalsContact C-N 3.34Å; G107-V109 PolarHBondContact O-N 3.03Å
108L77.4Confident68.5Low33 Ų3365.6 Ų65.617%0.17336%0.356CS..  trans-8991.4173.9-63.1178.3000108.2V76 Y79 F103 I106V76-L108 HydrophobicContact CG2-CD2 4.28Å; Y79-L108 HydrophobicContact CD1-CB 3.72Å; Y79-L108 HydrophobicContact CD1-CD2 4.5Å; Y79-L108 HydrophobicContact CD2-CB 4.09Å; Y79-L108 HydrophobicContact CD2-CD1 4.19Å; Y79-L108 HydrophobicContact CE1-CB 3.92Å; Y79-L108 WeakPolarHBondContact CE1-O 3.45Å; Y79-L108 HydrophobicContact CE2-CB 4.3Å; Y79-L108 HydrophobicContact CG-CB 3.82Å; Y79-L108 HydrophobicContact CG-CD1 4.31Å; Y79-L108 HydrophobicContact CG-CD2 4.18Å; Y79-L108 HydrophobicContact CG-CG 4.32Å; F103-L108 CarbonylContact C-O 3.6Å; F103-L108 HydrophobicContact CB-CB 4.33Å; F103-L108 HydrophobicContact CD1-CD1 4.11Å; F103-L108 PolarHBondContact O-N 3.47Å; I106-L108 HydrophobicContact CG2-CG 4.41Å
109V73.7Confident68.3Low29 Ų2961.8 Ų61.818%0.17633%0.329CS..  trans-111.7124.6-173.7-178.50000109.8Q80 R104 G107 W288Q80-V109 PolarHBondContact NE2-O 3Å; R104-V109 HydrophobicContact CG-CG2 4.37Å; G107-V109 PolarHBondContact O-N 3.03Å; V109-W288 HydrophobicContact CG1-CE3 4Å; V109-W288 HydrophobicContact CG1-CZ3 3.62Å
110R71.9Confident68.3Low39 Ų3959.7 Ų59.715%0.14732%0.319CS..PPolyproline II helixtrans-63.1141-179.9-176.5178.7176170.86.4111.9H87 W288H87-R110 PolarHBondContact O-NH2 3.45Å; R110-W288 HydrophobicContact CB-CH2 4.38Å; R110-W288 VanDerWaalsContact O-CH2 3.25Å; R110-W288 WeakPolarHBondContact O-CH2 3.43Å; R110-W288 WeakPolarHBondContact O-CZ3 3.43Å
111F73.7Confident68.5Low99 Ų9960.2 Ų60.243%0.43432%0.319SS..PPolyproline II helixtrans-69.3130.5171.3176.8-103.6000111.7F123F111-F123 HydrophobicContact CD2-CD1 4.27Å; F111-F123 HydrophobicContact CD2-CE1 4.11Å; F111-F123 AromaticContact CE2-CE1 3.95Å; F111-F123 HydrophobicContact CE2-CE1 3.95Å
112H68.5Low68.7Low37 Ų3757.3 Ų57.317%0.17130%0.302CS..PPolyproline II helixtrans-93.8119.5179.7-167.3-93.2000110.8T114 W288 W289H112-T114 VanDerWaalsContact C-N 3.33Å; H112-T114 PolarHBondContact CE1-OG1 2.94Å; H112-T114 PolarHBondContact ND1-OG1 3.06Å; H112-T114 PolarHBondContact O-N 3.05Å; H112-W288 HydrophobicContact CB-CH2 4.23Å; H112-W288 AromaticContact CD2-CZ2 3.94Å; H112-W289 HydrophobicContact CB-CB 4.17Å; H112-W289 HydrophobicContact CB-CG 4.45Å; H112-W289 AromaticContact CD2-CE3 3.86Å; H112-W289 AromaticContact NE2-CE3 3.9Å
113P61.4Low69Low105 Ų10556.7 Ų56.768%0.68230%0.296SS*.THydrogen-bonded Turntrans-76.8-8.1-169.826.6-32.1000115.5
114T59.8Low69.2Low110 Ų11054.8 Ų54.868%0.67529%0.289SS*.THydrogen-bonded Turntrans-119.819.5-171.557.40000115.6H112H112-T114 VanDerWaalsContact C-N 3.33Å; H112-T114 PolarHBondContact CE1-OG1 2.94Å; H112-T114 PolarHBondContact ND1-OG1 3.06Å; H112-T114 PolarHBondContact O-N 3.05Å
115G53.8Low69.6Low32 Ų3252 Ų5233%0.3328%0.279SS..  trans-129.7143.1-179.100000114.4S119G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-OG 3Å
116T56.9Low70.1Confident119 Ų11952.2 Ų52.273%0.7328%0.279SS*.SBendtrans-57.4-164.7174.545.20000113.4E118 S119T116-E118 PolarHBondContact O-N 3.4Å; T116-S119 PolarHBondContact O-N 3.25Å
117F60.2Low70.3Confident159 Ų15953.9 Ų53.970%0.69729%0.287SS*.G310 helixtrans-41.9-25-174-167.2-97.2000115.3S119 T120 L124F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 3.41Å; F117-T120 HydrophobicContact CD2-CG2 4.38Å; F117-T120 VanDerWaalsContact O-CB 3.25Å; F117-T120 WeakPolarHBondContact O-CB 3.34Å; F117-T120 VanDerWaalsContact O-CG2 3.26Å; F117-T120 WeakPolarHBondContact O-CG2 3.36Å; F117-T120 PolarHBondContact O-N 3.2Å; F117-T120 VanDerWaalsContact O-N 3.09Å; F117-T120 PolarHBondContact O-OG1 3.48Å; F117-L124 HydrophobicContact CZ-CD2 4.45Å
118E61.3Low71Confident83 Ų8356.1 Ų56.139%0.38830%0.299SS..G310 helixtrans-59-35173.4-56.1-169171.900114.4T116 T120 R121T116-E118 PolarHBondContact O-N 3.4Å; E118-T120 PolarHBondContact O-N 3.39Å; E118-R121 WeakPolarHBondContact O-CB 3.33Å; E118-R121 PolarHBondContact O-N 3.43Å
119S62Low71.4Confident6 Ų654.6 Ų54.64%0.04229%0.291CS..G310 helixtrans-71.1-9.4176.2-63.60000113.2G115 T116 F117 R121G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-OG 3Å; T116-S119 PolarHBondContact O-N 3.25Å; F117-S119 VanDerWaalsContact C-N 3.33Å; F117-S119 PolarHBondContact O-N 3.41Å; S119-R121 PolarHBondContact O-N 3Å
120T68.7Low72.1Confident26 Ų2655.1 Ų55.116%0.1629%0.294CS..G310 helixtrans-71.6-14.8174.3730000112.9F117 E118 A122 F123 L124F117-T120 HydrophobicContact CD2-CG2 4.38Å; F117-T120 VanDerWaalsContact O-CB 3.25Å; F117-T120 WeakPolarHBondContact O-CB 3.34Å; F117-T120 VanDerWaalsContact O-CG2 3.26Å; F117-T120 WeakPolarHBondContact O-CG2 3.36Å; F117-T120 PolarHBondContact O-N 3.2Å; F117-T120 VanDerWaalsContact O-N 3.09Å; F117-T120 PolarHBondContact O-OG1 3.48Å; E118-T120 PolarHBondContact O-N 3.39Å; T120-A122 PolarHBondContact O-N 3.47Å; T120-F123 HydrophobicContact CG2-CE1 4.14Å; T120-F123 HydrophobicContact CG2-CE2 4.33Å; T120-F123 HydrophobicContact CG2-CZ 3.62Å; T120-F123 PolarHBondContact O-N 3.29Å; T120-L124 WeakPolarHBondContact O-CB 3.23Å; T120-L124 PolarHBondContact O-N 2.96Å
121R71.4Confident72.8Confident26 Ų2656.3 Ų56.310%0.09831%0.308CS..G310 helixtrans-50.1-29.3175.2-177.1179.1179.1-175-4.9113.5I26 E118 S119 P125 K290 F291I26-R121 HydrophobicContact CG2-CG 4.36Å; I26-R121 PolarHBondContact O-NE 3.33Å; E118-R121 WeakPolarHBondContact O-CB 3.33Å; E118-R121 PolarHBondContact O-N 3.43Å; S119-R121 PolarHBondContact O-N 3Å; R121-P125 WeakPolarHBondContact O-CD 3.47Å; R121-K290 PolarHBondContact NH1-O 2.79Å; R121-F291 HydrophobicContact CB-CD2 4.22Å; R121-F291 HydrophobicContact CB-CE2 4.07Å; R121-F291 HydrophobicContact CG-CD2 4.2Å; R121-F291 HydrophobicContact CG-CE2 3.85Å
122A71Confident73.5Confident6 Ų652 Ų525%0.0529%0.292CS..G310 helixtrans-69.4-33.2179.600000113.9R27 T120R27-A122 PolarHBondContact NH1-O 3.05Å; T120-A122 PolarHBondContact O-N 3.47Å
123F79.7Confident74.4Confident80 Ų8050.3 Ų50.335%0.35128%0.284SS..THydrogen-bonded Turntrans-125.7-21.5-17265.1-99.3000114.9F111 T120 P125 E126 I127F111-F123 HydrophobicContact CD2-CD1 4.27Å; F111-F123 HydrophobicContact CD2-CE1 4.11Å; F111-F123 AromaticContact CE2-CE1 3.95Å; F111-F123 HydrophobicContact CE2-CE1 3.95Å; T120-F123 HydrophobicContact CG2-CE1 4.14Å; T120-F123 HydrophobicContact CG2-CE2 4.33Å; T120-F123 HydrophobicContact CG2-CZ 3.62Å; T120-F123 PolarHBondContact O-N 3.29Å; F123-P125 VanDerWaalsContact C-CD 3.49Å; F123-E126 WeakPolarHBondContact O-CB 3.4Å; F123-E126 PolarHBondContact O-N 3.35Å; F123-I127 HydrophobicContact CD2-CD1 3.64Å; F123-I127 HydrophobicContact CE2-CD1 3.99Å; F123-I127 PolarHBondContact O-N 3.42Å
124L80.2Confident75.7Confident42 Ų4249.2 Ų49.222%0.2227%0.272CS..Hα-helixtrans-57.5-42.2-178.7-17671000114.2I26 F117 T120 E126 I127 I128I26-L124 HydrophobicContact CD1-CD2 4.23Å; F117-L124 HydrophobicContact CZ-CD2 4.45Å; T120-L124 WeakPolarHBondContact O-CB 3.23Å; T120-L124 PolarHBondContact O-N 2.96Å; L124-E126 PolarHBondContact O-N 3.06Å; L124-I127 PolarHBondContact O-N 3.28Å; L124-I128 HydrophobicContact CD1-CD1 4.33Å; L124-I128 HydrophobicContact CD2-CD1 4.44Å; L124-I128 HydrophobicContact CG-CD1 3.93Å; L124-I128 WeakPolarHBondContact O-CG1 3.42Å; L124-I128 PolarHBondContact O-N 3.48Å; L124-I128 VanDerWaalsContact O-N 3.07Å
125P81Confident77Confident0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-55.4-40.2175.3-26.434.6000113.4A23 I26 R27 R121 F123 I128 A129A23-P125 HydrophobicContact CB-CB 4.09Å; I26-P125 HydrophobicContact CB-CG 3.98Å; I26-P125 HydrophobicContact CG2-CG 3.55Å; R27-P125 HydrophobicContact CB-CG 3.88Å; R121-P125 WeakPolarHBondContact O-CD 3.47Å; F123-P125 VanDerWaalsContact C-CD 3.49Å; P125-I128 PolarHBondContact O-N 2.94Å; P125-A129 WeakPolarHBondContact O-CB 3.05Å; P125-A129 PolarHBondContact O-N 3.19Å
126E85Confident78.4Confident10 Ų1046.2 Ų46.25%0.04724%0.244CC..Hα-helixtrans-68.4-39-177.8-52.3-57.5156.400110.6R27 Y35 V72 A73 V76 F123 L124 T130R27-E126 IonicContact CZ-OE1 2.67Å; R27-E126 IonicContact NH1-OE1 2.73Å; R27-E126 PolarHBondContact NH1-OE1 3.28Å; R27-E126 VanDerWaalsContact NH1-OE1 3.1Å; R27-E126 IonicContact NH2-OE1 3.57Å; R27-E126 PolarHBondContact NH2-OE1 3.34Å; Y35-E126 PolarHBondContact OH-OE2 3.22Å; V72-E126 VanDerWaalsContact CG1-OE1 3.27Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.49Å; V72-E126 VanDerWaalsContact CG1-OE2 3.26Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.31Å; A73-E126 HydrophobicContact CB-CB 4.43Å; V76-E126 HydrophobicContact CG2-CG 4.29Å; F123-E126 WeakPolarHBondContact O-CB 3.4Å; F123-E126 PolarHBondContact O-N 3.35Å; L124-E126 PolarHBondContact O-N 3.06Å; E126-T130 VanDerWaalsContact O-CB 3.25Å; E126-T130 WeakPolarHBondContact O-CB 3.46Å; E126-T130 WeakPolarHBondContact O-CG2 3.07Å; E126-T130 PolarHBondContact O-N 3.41Å; E126-T130 PolarHBondContact O-OG1 2.72Å
127I85.7Confident79.8Confident91 Ų9141.5 Ų41.547%0.46721%0.213SC..Hα-helixtrans-65-45.3176.4-62.3177.3000110.9F123 L124 T130 S131F123-I127 HydrophobicContact CD2-CD1 3.64Å; F123-I127 HydrophobicContact CE2-CD1 3.99Å; F123-I127 PolarHBondContact O-N 3.42Å; L124-I127 PolarHBondContact O-N 3.28Å; I127-T130 PolarHBondContact O-OG1 3.18Å; I127-S131 WeakPolarHBondContact O-CB 3.39Å; I127-S131 PolarHBondContact O-N 3.23Å; I127-S131 PolarHBondContact O-OG 3.21Å
128I87.7Confident81Confident47 Ų4737.4 Ų37.424%0.24120%0.198CC..Hα-helixtrans-64.5-47-179.8-66.2169000110.4A19 I26 L124 P125 S131 A132A19-I128 HydrophobicContact CB-CG2 4.14Å; I26-I128 HydrophobicContact CD1-CD1 3.67Å; L124-I128 HydrophobicContact CD1-CD1 4.33Å; L124-I128 HydrophobicContact CD2-CD1 4.44Å; L124-I128 HydrophobicContact CG-CD1 3.93Å; L124-I128 WeakPolarHBondContact O-CG1 3.42Å; L124-I128 PolarHBondContact O-N 3.48Å; L124-I128 VanDerWaalsContact O-N 3.07Å; P125-I128 PolarHBondContact O-N 2.94Å; I128-S131 PolarHBondContact O-OG 3.28Å; I128-S131 VanDerWaalsContact O-OG 3.13Å; I128-A132 VanDerWaalsContact O-CB 3.31Å; I128-A132 WeakPolarHBondContact O-CB 3.48Å; I128-A132 PolarHBondContact O-N 3.07Å; I128-A132 VanDerWaalsContact O-N 3.14Å
129A86.5Confident82.1Confident1 Ų134.6 Ų34.61%0.00819%0.185CC..Hα-helixtrans-67.9-46.2-178.300000112.2L20 A23 Y35 P125 A133L20-A129 HydrophobicContact CD2-CB 4.47Å; A23-A129 HydrophobicContact CB-CB 4.14Å; Y35-A129 HydrophobicContact CE1-CB 4.28Å; P125-A129 WeakPolarHBondContact O-CB 3.05Å; P125-A129 PolarHBondContact O-N 3.19Å; A129-A133 VanDerWaalsContact O-CB 3.23Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 3.05Å
130T87.7Confident82.9Confident39 Ų3934.5 Ų34.524%0.23919%0.185CC..Hα-helixtrans-67.6-40.4-179.854.40000112.7C69 A73 E126 I127 A133 L134C69-T130 HydrophobicContact CB-CG2 3.87Å; A73-T130 HydrophobicContact CB-CG2 4.02Å; E126-T130 VanDerWaalsContact O-CB 3.25Å; E126-T130 WeakPolarHBondContact O-CB 3.46Å; E126-T130 WeakPolarHBondContact O-CG2 3.07Å; E126-T130 PolarHBondContact O-N 3.41Å; E126-T130 PolarHBondContact O-OG1 2.72Å; I127-T130 PolarHBondContact O-OG1 3.18Å; T130-A133 PolarHBondContact O-N 3.27Å; T130-L134 VanDerWaalsContact O-CB 3.28Å; T130-L134 WeakPolarHBondContact O-CB 3.31Å; T130-L134 PolarHBondContact O-N 3.33Å
131S87.7Confident83.3Confident64 Ų6437.8 Ų37.845%0.44820%0.2SC..Hα-helixtrans-67.2-43.1178610000112.4I127 I128 L134 L135I127-S131 WeakPolarHBondContact O-CB 3.39Å; I127-S131 PolarHBondContact O-N 3.23Å; I127-S131 PolarHBondContact O-OG 3.21Å; I128-S131 PolarHBondContact O-OG 3.28Å; I128-S131 VanDerWaalsContact O-OG 3.13Å; S131-L134 PolarHBondContact O-N 3.46Å; S131-L135 WeakPolarHBondContact O-CB 3.43Å; S131-L135 PolarHBondContact O-N 3.01Å
132A87.1Confident83.5Confident10 Ų1044.3 Ų44.38%0.08323%0.229CC..Hα-helixtrans-65.7-43175.500000111.6A19 I128 L135 T136A19-A132 HydrophobicContact CB-CB 3.4Å; A19-A132 VanDerWaalsContact CB-CB 3.4Å; I128-A132 VanDerWaalsContact O-CB 3.31Å; I128-A132 WeakPolarHBondContact O-CB 3.48Å; I128-A132 PolarHBondContact O-N 3.07Å; I128-A132 VanDerWaalsContact O-N 3.14Å; A132-L135 PolarHBondContact O-N 3.19Å; A132-T136 WeakPolarHBondContact O-CG2 3.34Å; A132-T136 PolarHBondContact O-N 3.46Å; A132-T136 PolarHBondContact O-OG1 3.25Å
133A87Confident83.6Confident0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-61.4-44.217600000111.7F66 A129 T130 T136 I137F66-A133 HydrophobicContact CB-CB 4.25Å; F66-A133 HydrophobicContact CD2-CB 4.27Å; A129-A133 VanDerWaalsContact O-CB 3.23Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 3.05Å; T130-A133 PolarHBondContact O-N 3.27Å; A133-T136 PolarHBondContact O-N 3.44Å; A133-T136 PolarHBondContact O-OG1 3.5Å; A133-I137 PolarHBondContact O-N 3.35Å
134L88.5Confident82.7Confident83 Ų8346 Ų4644%0.43525%0.247SC..Hα-helixtrans-62.1-46.5175.7-176.568.5000112F66 T130 S131 T136 I137 I138F66-L134 HydrophobicContact CE2-CD1 4.16Å; T130-L134 VanDerWaalsContact O-CB 3.28Å; T130-L134 WeakPolarHBondContact O-CB 3.31Å; T130-L134 PolarHBondContact O-N 3.33Å; S131-L134 PolarHBondContact O-N 3.46Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 3.34Å; L134-I137 WeakPolarHBondContact O-CB 3.4Å; L134-I137 PolarHBondContact O-N 3.18Å; L134-I138 HydrophobicContact CD1-CD1 4.49Å; L134-I138 HydrophobicContact CG-CD1 4.04Å; L134-I138 VanDerWaalsContact O-CG1 3.32Å; L134-I138 WeakPolarHBondContact O-CG1 3.32Å; L134-I138 PolarHBondContact O-N 3.21Å
135L87.4Confident81.6Confident79 Ų7946 Ų4641%0.41425%0.246SC..Hα-helixtrans-59.5-42.3177.3-174.875.2000111.3L15 S131 A132 I138 I139L15-L135 HydrophobicContact CD2-CD2 3.72Å; S131-L135 WeakPolarHBondContact O-CB 3.43Å; S131-L135 PolarHBondContact O-N 3.01Å; A132-L135 PolarHBondContact O-N 3.19Å; L135-I138 PolarHBondContact O-N 2.91Å; L135-I139 HydrophobicContact CD1-CD1 4.19Å; L135-I139 HydrophobicContact CD2-CD1 4.43Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 3.02Å; L135-I139 PolarHBondContact O-N 3.49Å
136T84.5Confident80.1Confident0 Ų053.3 Ų53.30%027%0.273CS..Hα-helixtrans-67.3-37.6177.9640000112.4V11 L16 A132 A133 L134 I139 V140V11-T136 HydrophobicContact CG1-CG2 3.35Å; L16-T136 HydrophobicContact CB-CG2 3.86Å; L16-T136 HydrophobicContact CD1-CG2 4.11Å; L16-T136 HydrophobicContact CD2-CG2 4.44Å; L16-T136 HydrophobicContact CG-CG2 4.37Å; A132-T136 WeakPolarHBondContact O-CG2 3.34Å; A132-T136 PolarHBondContact O-N 3.46Å; A132-T136 PolarHBondContact O-OG1 3.25Å; A133-T136 PolarHBondContact O-N 3.44Å; A133-T136 PolarHBondContact O-OG1 3.5Å; L134-T136 VanDerWaalsContact C-N 3.3Å; L134-T136 PolarHBondContact O-N 3.34Å; T136-I139 PolarHBondContact O-N 3.11Å; T136-V140 VanDerWaalsContact O-CB 3.23Å; T136-V140 WeakPolarHBondContact O-CB 3.31Å; T136-V140 VanDerWaalsContact O-CG2 3.24Å; T136-V140 WeakPolarHBondContact O-CG2 3.47Å; T136-V140 PolarHBondContact O-N 3.07Å
137I86.2Confident78Confident19 Ų1959.8 Ų59.810%0.09731%0.308CS..Hα-helixtrans-59.5-48.1170.9-78.9176.3000110.6V62 F66 A133 L134 I139 V140 M141 F142V62-I137 HydrophobicContact CG1-CB 4.35Å; V62-I137 HydrophobicContact CG1-CD1 4.46Å; V62-I137 HydrophobicContact CG1-CG1 3.4Å; V62-I137 VanDerWaalsContact CG1-CG1 3.4Å; F66-I137 HydrophobicContact CB-CD1 3.23Å; F66-I137 HydrophobicContact CB-CG1 4.36Å; F66-I137 HydrophobicContact CD1-CD1 3.69Å; F66-I137 HydrophobicContact CD2-CD1 3.78Å; F66-I137 HydrophobicContact CE1-CD1 4.48Å; F66-I137 HydrophobicContact CG-CD1 3.28Å; A133-I137 PolarHBondContact O-N 3.35Å; L134-I137 WeakPolarHBondContact O-CB 3.4Å; L134-I137 PolarHBondContact O-N 3.18Å; I137-I139 PolarHBondContact O-N 2.92Å; I137-V140 PolarHBondContact O-N 3.41Å; I137-M141 WeakPolarHBondContact O-CA 3.48Å; I137-M141 VanDerWaalsContact O-CB 3.25Å; I137-M141 WeakPolarHBondContact O-CB 3.24Å; I137-M141 PolarHBondContact O-N 2.99Å; I137-F142 HydrophobicContact CG2-CD2 4.32Å; I137-F142 HydrophobicContact CG2-CE2 4.14Å
138I85.3Confident76Confident74 Ų7461.7 Ų61.738%0.37932%0.315SS..Iπ-helixtrans-60.3-47.9-179.3-67.2165.4000110.7L134 L135 F142 L143L134-I138 HydrophobicContact CD1-CD1 4.49Å; L134-I138 HydrophobicContact CG-CD1 4.04Å; L134-I138 VanDerWaalsContact O-CG1 3.32Å; L134-I138 WeakPolarHBondContact O-CG1 3.32Å; L134-I138 PolarHBondContact O-N 3.21Å; L135-I138 PolarHBondContact O-N 2.91Å; I138-F142 WeakPolarHBondContact O-CB 3.48Å; I138-F142 PolarHBondContact O-N 3.44Å; I138-F142 VanDerWaalsContact O-N 3.15Å; I138-L143 HydrophobicContact CG2-CD1 4.37Å; I138-L143 PolarHBondContact O-N 3.06Å
139I82.9Confident73.4Confident23 Ų2368.5 Ų68.512%0.11835%0.346CS..Iπ-helixtrans-69.8-37.7-176.7-65.6173000112.5V3 K8 V11 L135 T136 I137 L143V3-I139 HydrophobicContact CG1-CG2 4.4Å; K8-I139 WeakPolarHBondContact CE-O 3.45Å; K8-I139 HydrophobicContact CG-CG2 4.27Å; V11-I139 HydrophobicContact CG1-CD1 4.25Å; V11-I139 HydrophobicContact CG2-CD1 3.89Å; V11-I139 HydrophobicContact CG2-CG2 4.36Å; L135-I139 HydrophobicContact CD1-CD1 4.19Å; L135-I139 HydrophobicContact CD2-CD1 4.43Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 3.02Å; L135-I139 PolarHBondContact O-N 3.49Å; T136-I139 PolarHBondContact O-N 3.11Å; I137-I139 PolarHBondContact O-N 2.92Å; I139-L143 HydrophobicContact CB-CD1 4.43Å; I139-L143 HydrophobicContact CG1-CD1 4.21Å
140V78.6Confident70.8Confident5 Ų575.7 Ų75.73%0.0338%0.384CS..Iπ-helixtrans-88.7-41.9-173178.30000112V12 L54 T136 I137V12-V140 HydrophobicContact CG2-CG2 3.78Å; L54-V140 HydrophobicContact CD1-CG1 3.61Å; L54-V140 HydrophobicContact CD2-CG1 3.74Å; L54-V140 HydrophobicContact CG-CG1 4.32Å; T136-V140 VanDerWaalsContact O-CB 3.23Å; T136-V140 WeakPolarHBondContact O-CB 3.31Å; T136-V140 VanDerWaalsContact O-CG2 3.24Å; T136-V140 WeakPolarHBondContact O-CG2 3.47Å; T136-V140 PolarHBondContact O-N 3.07Å; I137-V140 PolarHBondContact O-N 3.41Å
141M78.7Confident68.2Low95 Ų9581.7 Ų81.747%0.46841%0.414SS..Iπ-helixtrans-94.7-36.4-174.1-61.4-109.8-81.300113.7I63 I137I63-M141 HydrophobicContact CD1-CE 3.81Å; I63-M141 HydrophobicContact CD1-SD 4.44Å; I63-M141 HydrophobicContact CG1-CE 3.84Å; I137-M141 WeakPolarHBondContact O-CA 3.48Å; I137-M141 VanDerWaalsContact O-CB 3.25Å; I137-M141 WeakPolarHBondContact O-CB 3.24Å; I137-M141 PolarHBondContact O-N 2.99Å
142F76Confident65.5Low162 Ų16284 Ų8471%0.71143%0.425SS*.Iπ-helixtrans-95.3-21.1-172.9-77.1-85.5000115.1I137 I138I137-F142 HydrophobicContact CG2-CD2 4.32Å; I137-F142 HydrophobicContact CG2-CE2 4.14Å; I138-F142 WeakPolarHBondContact O-CB 3.48Å; I138-F142 PolarHBondContact O-N 3.44Å; I138-F142 VanDerWaalsContact O-N 3.15Å
143L72.2Confident62.8Low37 Ų3790.3 Ų90.319%0.19446%0.463CS..SBendtrans-98.1117.7-176.1-76.7148.9000112.2M1 V3 K8 I138 I139M1-L143 HydrophobicContact CB-CD2 3.44Å; M1-L143 VanDerWaalsContact CB-CD2 3.44Å; M1-L143 WeakPolarHBondContact O-CD2 2.93Å; V3-L143 HydrophobicContact CB-CB 4.49Å; V3-L143 HydrophobicContact CG2-CB 3.88Å; V3-L143 HydrophobicContact CG2-CD1 3.97Å; V3-L143 HydrophobicContact CG2-CD2 3.93Å; V3-L143 HydrophobicContact CG2-CG 4.12Å; K8-L143 WeakPolarHBondContact CE-O 3.42Å; K8-L143 PolarHBondContact NZ-O 3.13Å; I138-L143 HydrophobicContact CG2-CD1 4.37Å; I138-L143 PolarHBondContact O-N 3.06Å; I139-L143 HydrophobicContact CB-CD1 4.43Å; I139-L143 HydrophobicContact CG1-CD1 4.21Å
144S60.6Low60.1Low84 Ų8493.7 Ų93.759%0.58750%0.497SS*.PPolyproline II helixtrans-65.4148.2-172.4-172.80000114.8
145H57.7Low57.3Low43 Ų4397.4 Ų97.420%0.19952%0.518CS..PPolyproline II helixtrans-68.7139.4171.4-110.6-71.2000110.3D147H145-D147 PolarHBondContact O-N 3.48Å
146R49.3Very low54.5Low153 Ų153100.3 Ų100.358%0.57754%0.538SS*.  trans-84.6106.8166.8178.8176.5166.5146.5-0.4107.8T2 E148T2-R146 HydrophobicContact CG2-CB 4.3Å; R146-E148 IonicContact CZ-OE1 3.8Å; R146-E148 IonicContact CZ-OE2 2.8Å; R146-E148 VanDerWaalsContact CZ-OE2 3.31Å; R146-E148 IonicContact NE-OE1 2.85Å; R146-E148 IonicContact NE-OE2 3.1Å; R146-E148 PolarHBondContact NE-OE2 3.15Å; R146-E148 IonicContact NH2-OE1 3.19Å; R146-E148 PolarHBondContact NH2-OE1 2.89Å; R146-E148 IonicContact NH2-OE2 2.7Å; R146-E148 PolarHBondContact NH2-OE2 3.13Å
147D41.8Very low52.1Low146 Ų146106.5 Ų106.578%0.78158%0.576SS**  trans-83.3114.4167.7-69.9-26.9000108H145H145-D147 PolarHBondContact O-N 3.48Å
148E42.1Very low49.4Very low131 Ų131112.1 Ų112.161%0.61261%0.611SS**  trans-122.5109.7173-143.8166.2-171.600106.7R146 L150R146-E148 IonicContact CZ-OE1 3.8Å; R146-E148 IonicContact CZ-OE2 2.8Å; R146-E148 VanDerWaalsContact CZ-OE2 3.31Å; R146-E148 IonicContact NE-OE1 2.85Å; R146-E148 IonicContact NE-OE2 3.1Å; R146-E148 PolarHBondContact NE-OE2 3.15Å; R146-E148 IonicContact NH2-OE1 3.19Å; R146-E148 PolarHBondContact NH2-OE1 2.89Å; R146-E148 IonicContact NH2-OE2 2.7Å; R146-E148 PolarHBondContact NH2-OE2 3.13Å; E148-L150 PolarHBondContact O-N 3.26Å
149Q33.4Very low46.9Very low191 Ų191115 Ų11589%0.89363%0.632SS**  trans-49.1117.7-176.2-74.4162.4-63.800111.1
150L32.5Very low44.2Very low152 Ų152125.6 Ų125.680%0.79667%0.67SS**  trans-89.6103.4161.9-105.395.1000107.3E148 V152E148-L150 PolarHBondContact O-N 3.26Å; L150-V152 PolarHBondContact O-N 3.15Å
151D33.1Very low41.8Very low164 Ų164130.1 Ų130.188%0.87770%0.702SS**  trans-73.6109.7159.1-84-23.6000108.7
152V31.3Very low39.4Very low113 Ų113133.6 Ų133.669%0.68572%0.718SS**  trans-93143.2169.2178.80000108.1L150L150-V152 PolarHBondContact O-N 3.15Å
153V30Very low37.4Very low143 Ų143131.4 Ų131.487%0.86772%0.722SS**  trans120.6103.2154.1-176.10000111.5
154G29.9Very low35.5Very low70 Ų70132 Ų13272%0.72274%0.737SS**  130.9149.186.400000110.7
155D29.2Very low34.1Very low162 Ų162137.4 Ų137.487%0.86675%0.745SS**  trans-60.4143.7-165.5-61.2-57.4000117.5
156V29.4Very low33.1Very low140 Ų140143.4 Ų143.485%0.84877%0.773SS**  trans-174.2133.5133.51690000109.6
157V33.5Very low32.6Very low129 Ų129143.5 Ų143.578%0.78278%0.78SS**  trans-79.2133.8177.5173.90000111.6
158T29.4Very low32.3Very low137 Ų137145.7 Ų145.784%0.8478%0.777SS**  trans-144.4150.1150.150.10000112.4
159V32.5Very low32.1Very low136 Ų136148.5 Ų148.582%0.82478%0.782SS**  trans-82.6152.3-167174.80000111.9
160R26.9Very low32.3Very low244 Ų244146.4 Ų146.492%0.92177%0.772SS**  trans104.3102.7155.7-150173.6-164.6137.41.6118.4
161S27.8Very low32.6Very low100 Ų100148.8 Ų148.870%0.69977%0.771SS**  trans172.5117.7133.2-179.40000109.8
162E29.5Very low32.8Very low169 Ų169147.2 Ų147.279%0.7976%0.756SS**  trans-89.35.6-164.8-76.2-172.9127.300116.2G164E162-G164 PolarHBondContact O-N 3.07Å
163S32.4Very low33Very low115 Ų115146.6 Ų146.680%0.80475%0.748SS**THydrogen-bonded Turntrans-87.20.2-168.758.60000116.8
164G32.8Very low33.4Very low49 Ų49142.5 Ų142.551%0.50573%0.729SS.*THydrogen-bonded Turntrans-107.57.3-173.200000117.2E162E162-G164 PolarHBondContact O-N 3.07Å
165R30.8Very low33.9Very low198 Ų198142 Ų14275%0.74772%0.719SS**Hα-helixtrans-79.7-22.7-161.6-124.9172.8-176.9157.1-0.9115.5
166E36.8Very low34.6Very low169 Ų169139 Ų13979%0.7970%0.702SS**Hα-helixtrans-86.7-43.3-178.3-85.8176.2149.800114.1R168 R169 Q170E166-R168 VanDerWaalsContact C-N 3.29Å; E166-R168 PolarHBondContact O-N 3.31Å; E166-R169 PolarHBondContact O-N 3.41Å; E166-R169 VanDerWaalsContact O-N 3.14Å; E166-Q170 PolarHBondContact O-N 3.27Å
167Q39.2Very low34.9Very low156 Ų156137.6 Ų137.673%0.72969%0.687SS**Hα-helixtrans-67.6-29.8-179.9-117.9171.7-6.200112.9R171Q167-R171 PolarHBondContact O-N 3.48Å
168R36.2Very low35.2Very low192 Ų192141.4 Ų141.473%0.72569%0.688SS**Hα-helixtrans-77.6-23.8175.8-139.7172.2-172.8179.12.2112.3E166 K172E166-R168 VanDerWaalsContact C-N 3.29Å; E166-R168 PolarHBondContact O-N 3.31Å; R168-K172 WeakPolarHBondContact O-CB 3.33Å; R168-K172 WeakPolarHBondContact O-CG 3.19Å; R168-K172 PolarHBondContact O-N 2.89Å
169R36.5Very low36.1Very low189 Ų189137.8 Ų137.871%0.71367%0.668SS**Hα-helixtrans-76.4-37.7177.9-135.9175.7-174.6-179.71.1111.8E166 L173E166-R169 PolarHBondContact O-N 3.41Å; E166-R169 VanDerWaalsContact O-N 3.14Å; R169-L173 VanDerWaalsContact O-CB 3.26Å; R169-L173 WeakPolarHBondContact O-CB 3.34Å; R169-L173 PolarHBondContact O-N 3.27Å
170Q39Very low36.5Very low147 Ų147133.8 Ų133.869%0.68765%0.649SS**Hα-helixtrans-71.1-42.2174.4-82.5177.7-21.800113.2E166 L173 A174E166-Q170 PolarHBondContact O-N 3.27Å; Q170-L173 PolarHBondContact O-N 2.95Å; Q170-A174 PolarHBondContact O-N 2.78Å
171R38.3Very low37.2Very low203 Ų203126 Ų12677%0.76663%0.625SS**Hα-helixtrans-68.5-36.2174-77.7-177179167.20.8112.5Q167 A175Q167-R171 PolarHBondContact O-N 3.48Å; R171-A175 VanDerWaalsContact O-CB 3.28Å; R171-A175 WeakPolarHBondContact O-CB 3.34Å; R171-A175 PolarHBondContact O-N 2.75Å
172K37.3Very low38Very low131 Ų131122.7 Ų122.757%0.5761%0.607SS**Hα-helixtrans-66.6-39.8169.5-84-174.2173.1-174.20111.7R168 A175 I176R168-K172 WeakPolarHBondContact O-CB 3.33Å; R168-K172 WeakPolarHBondContact O-CG 3.19Å; R168-K172 PolarHBondContact O-N 2.89Å; K172-A175 PolarHBondContact O-N 3.32Å; K172-I176 HydrophobicContact CB-CD1 4.08Å; K172-I176 WeakPolarHBondContact O-CA 3.39Å; K172-I176 WeakPolarHBondContact O-CB 3.42Å; K172-I176 VanDerWaalsContact O-CD1 3.29Å; K172-I176 WeakPolarHBondContact O-CD1 3.48Å; K172-I176 WeakPolarHBondContact O-CG1 3.26Å; K172-I176 PolarHBondContact O-N 3.03Å
173L36.3Very low39Very low100 Ų100118.7 Ų118.752%0.52459%0.591SS.*Hα-helixtrans-64.1-41.9176.9-100152.5000112.5R169 Q170 I176 M177R169-L173 VanDerWaalsContact O-CB 3.26Å; R169-L173 WeakPolarHBondContact O-CB 3.34Å; R169-L173 PolarHBondContact O-N 3.27Å; Q170-L173 PolarHBondContact O-N 2.95Å; L173-I176 PolarHBondContact O-N 3.41Å; L173-M177 WeakPolarHBondContact O-CB 3.39Å; L173-M177 PolarHBondContact O-N 3.18Å
174A36.7Very low39.5Very low56 Ų56116.1 Ų116.146%0.46357%0.573SS.*Hα-helixtrans-67.6-39.9175.300000112.1Q170 M177 W178Q170-A174 PolarHBondContact O-N 2.78Å; A174-M177 PolarHBondContact O-N 3.43Å; A174-W178 WeakPolarHBondContact O-CB 3.41Å; A174-W178 PolarHBondContact O-N 3.24Å
175A41.9Very low40.3Very low61 Ų61118.7 Ų118.750%0.50457%0.574SS.*Hα-helixtrans-71.4-35175.700000113R171 K172 S179R171-A175 VanDerWaalsContact O-CB 3.28Å; R171-A175 WeakPolarHBondContact O-CB 3.34Å; R171-A175 PolarHBondContact O-N 2.75Å; K172-A175 PolarHBondContact O-N 3.32Å; A175-S179 WeakPolarHBondContact O-CB 3.37Å; A175-S179 PolarHBondContact O-N 3.06Å; A175-S179 PolarHBondContact O-OG 3.05Å; A175-S179 VanDerWaalsContact O-OG 3.1Å
176I42.3Very low41.6Very low98 Ų98116.2 Ų116.250%0.50357%0.565SS.*Hα-helixtrans-71.8-36.2173.6-70.2162.9000109.8K172 L173 S179 A180K172-I176 HydrophobicContact CB-CD1 4.08Å; K172-I176 WeakPolarHBondContact O-CA 3.39Å; K172-I176 WeakPolarHBondContact O-CB 3.42Å; K172-I176 VanDerWaalsContact O-CD1 3.29Å; K172-I176 WeakPolarHBondContact O-CD1 3.48Å; K172-I176 WeakPolarHBondContact O-CG1 3.26Å; K172-I176 PolarHBondContact O-N 3.03Å; L173-I176 PolarHBondContact O-N 3.41Å; I176-S179 WeakPolarHBondContact CA-OG 3.12Å; I176-S179 PolarHBondContact O-OG 3.01Å; I176-A180 WeakPolarHBondContact O-CA 3.33Å; I176-A180 WeakPolarHBondContact O-CB 3.42Å; I176-A180 PolarHBondContact O-N 3.5Å
177M36.4Very low42.6Very low111 Ų111118 Ų11855%0.54757%0.565SS.*Hα-helixtrans-72.4-42.1176.6-166.2-174.2-6400110.8L173 A174 A180 I181L173-M177 WeakPolarHBondContact O-CB 3.39Å; L173-M177 PolarHBondContact O-N 3.18Å; A174-M177 PolarHBondContact O-N 3.43Å; M177-A180 PolarHBondContact O-N 3.1Å; M177-I181 HydrophobicContact CG-CD1 3.82Å; M177-I181 HydrophobicContact CG-CG1 4.45Å; M177-I181 WeakPolarHBondContact O-CA 3.26Å; M177-I181 WeakPolarHBondContact O-CB 3.49Å; M177-I181 WeakPolarHBondContact O-CD1 3.33Å; M177-I181 WeakPolarHBondContact O-CG1 3.43Å; M177-I181 PolarHBondContact O-N 3.5Å
178W39.9Very low43.6Very low208 Ų208114.8 Ų114.879%0.78855%0.552SS**Hα-helixtrans-70.1-32.4172.5-100.887.5000113.1A174 G182A174-W178 WeakPolarHBondContact O-CB 3.41Å; A174-W178 PolarHBondContact O-N 3.24Å; W178-G182 WeakPolarHBondContact O-CA 3.39Å; W178-G182 PolarHBondContact O-N 3.3Å
179S48.1Very low45Very low61 Ų61107 Ų10743%0.42753%0.526SS..Hα-helixtrans-77-32.7173.577.90000112.3A175 I176 N183A175-S179 WeakPolarHBondContact O-CB 3.37Å; A175-S179 PolarHBondContact O-N 3.06Å; A175-S179 PolarHBondContact O-OG 3.05Å; A175-S179 VanDerWaalsContact O-OG 3.1Å; I176-S179 WeakPolarHBondContact CA-OG 3.12Å; I176-S179 PolarHBondContact O-OG 3.01Å; S179-N183 WeakPolarHBondContact O-CB 3.21Å; S179-N183 PolarHBondContact O-N 3.36Å; S179-N183 PolarHBondContact O-ND2 3.45Å
180A41.1Very low46.6Very low53 Ų53100.6 Ų100.644%0.43851%0.506SS..Hα-helixtrans-74.6-37.2173.500000111.5I176 M177 S184I176-A180 WeakPolarHBondContact O-CA 3.33Å; I176-A180 WeakPolarHBondContact O-CB 3.42Å; I176-A180 PolarHBondContact O-N 3.5Å; M177-A180 PolarHBondContact O-N 3.1Å; A180-S184 WeakPolarHBondContact O-CA 3.41Å; A180-S184 WeakPolarHBondContact O-CB 3.3Å; A180-S184 PolarHBondContact O-N 2.9Å
181I41Very low48.2Very low79 Ų7999.1 Ų99.141%0.40550%0.497SS..Hα-helixtrans-68.6-42.2169.9-71.1167.2000109.4M177 S184 L185M177-I181 HydrophobicContact CG-CD1 3.82Å; M177-I181 HydrophobicContact CG-CG1 4.45Å; M177-I181 WeakPolarHBondContact O-CA 3.26Å; M177-I181 WeakPolarHBondContact O-CB 3.49Å; M177-I181 WeakPolarHBondContact O-CD1 3.33Å; M177-I181 WeakPolarHBondContact O-CG1 3.43Å; M177-I181 PolarHBondContact O-N 3.5Å; I181-S184 PolarHBondContact O-N 3.37Å; I181-L185 HydrophobicContact CG2-CD1 3.53Å; I181-L185 VanDerWaalsContact O-CB 3.26Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 WeakPolarHBondContact O-CD1 3.35Å; I181-L185 PolarHBondContact O-N 3.26Å
182G45.5Very low49.9Very low31 Ų3192.5 Ų92.532%0.3248%0.479SS..Hα-helixtrans-64.2-40.3175.200000113.2W178 R186W178-G182 WeakPolarHBondContact O-CA 3.39Å; W178-G182 PolarHBondContact O-N 3.3Å; G182-R186 WeakPolarHBondContact O-CB 3.42Å; G182-R186 WeakPolarHBondContact O-CG 3.36Å; G182-R186 PolarHBondContact O-N 2.94Å
183N49.7Very low51.8Low86 Ų8686.7 Ų86.746%0.4645%0.454SS..Hα-helixtrans-76.7-32.5175.3-76-18.9000112.5S179 R186 R187S179-N183 WeakPolarHBondContact O-CB 3.21Å; S179-N183 PolarHBondContact O-N 3.36Å; S179-N183 PolarHBondContact O-ND2 3.45Å; N183-R186 PolarHBondContact O-N 2.78Å; N183-R187 WeakPolarHBondContact O-CG 3.38Å; N183-R187 PolarHBondContact O-N 3.43Å
184S44.1Very low53.9Low61 Ų6183.9 Ų83.943%0.42744%0.438SS..Hα-helixtrans-65.1-51.7170.8168.20000110.1A180 I181 R186 R187 L188A180-S184 WeakPolarHBondContact O-CA 3.41Å; A180-S184 WeakPolarHBondContact O-CB 3.3Å; A180-S184 PolarHBondContact O-N 2.9Å; I181-S184 PolarHBondContact O-N 3.37Å; S184-R186 VanDerWaalsContact C-N 3.31Å; S184-R186 PolarHBondContact O-N 2.73Å; S184-R187 CarbonylContact O-C 3.25Å; S184-R187 WeakPolarHBondContact O-CA 3.42Å; S184-R187 PolarHBondContact O-N 2.94Å; S184-L188 VanDerWaalsContact O-CB 3.28Å; S184-L188 WeakPolarHBondContact O-CB 3.44Å; S184-L188 PolarHBondContact O-N 3.01Å
185L50.1Low56Low102 Ų10285.1 Ų85.153%0.53444%0.436SS..Hα-helixtrans-56.7-43.6172.4-100.9119000110.6I181 R187 L188 T189I181-L185 HydrophobicContact CG2-CD1 3.53Å; I181-L185 VanDerWaalsContact O-CB 3.26Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 WeakPolarHBondContact O-CD1 3.35Å; I181-L185 PolarHBondContact O-N 3.26Å; L185-R187 VanDerWaalsContact C-N 3.26Å; L185-R187 PolarHBondContact O-N 3.4Å; L185-L188 PolarHBondContact O-N 3.22Å; L185-T189 VanDerWaalsContact O-CB 3.28Å; L185-T189 WeakPolarHBondContact O-CB 3.43Å; L185-T189 WeakPolarHBondContact O-CG2 3.34Å; L185-T189 PolarHBondContact O-N 2.96Å; L185-T189 PolarHBondContact O-OG1 2.64Å
186R56.5Low58Low146 Ų14684.5 Ų84.555%0.55142%0.422SS*.Hα-helixtrans-59.6-31.4173.9-85.5178.1175-178.7-2113.9G182 N183 S184 T189G182-R186 WeakPolarHBondContact O-CB 3.42Å; G182-R186 WeakPolarHBondContact O-CG 3.36Å; G182-R186 PolarHBondContact O-N 2.94Å; N183-R186 PolarHBondContact O-N 2.78Å; S184-R186 VanDerWaalsContact C-N 3.31Å; S184-R186 PolarHBondContact O-N 2.73Å; R186-T189 VanDerWaalsContact C-OG1 3.29Å; R186-T189 WeakPolarHBondContact CA-OG1 3.37Å; R186-T189 PolarHBondContact O-OG1 3.26Å
187R58.7Low60.2Low208 Ų20880.1 Ų80.179%0.78540%0.4SS*.Hα-helixtrans-82.4-39.9175.8-74179.5-175.5179.82.5111.9N183 S184 L185 T189N183-R187 WeakPolarHBondContact O-CG 3.38Å; N183-R187 PolarHBondContact O-N 3.43Å; S184-R187 CarbonylContact O-C 3.25Å; S184-R187 WeakPolarHBondContact O-CA 3.42Å; S184-R187 PolarHBondContact O-N 2.94Å; L185-R187 VanDerWaalsContact C-N 3.26Å; L185-R187 PolarHBondContact O-N 3.4Å; R187-T189 VanDerWaalsContact C-N 3.33Å
188L60.1Low62.5Low88 Ų8875.3 Ų75.346%0.46138%0.378SS..Hα-helixtrans-72-28180-141.5151.6000111.2S184 L185 N190 F191 V192S184-L188 VanDerWaalsContact O-CB 3.28Å; S184-L188 WeakPolarHBondContact O-CB 3.44Å; S184-L188 PolarHBondContact O-N 3.01Å; L185-L188 PolarHBondContact O-N 3.22Å; L188-N190 PolarHBondContact O-N 3.01Å; L188-F191 HydrophobicContact CD2-CD1 4.36Å; L188-F191 CarbonylContact O-C 3.49Å; L188-F191 WeakPolarHBondContact O-CA 3.45Å; L188-F191 WeakPolarHBondContact O-CB 3.25Å; L188-F191 PolarHBondContact O-N 3.38Å; L188-V192 HydrophobicContact CD2-CG2 3.74Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 2.79Å
189T65.8Low64.8Low29 Ų2969.8 Ų69.818%0.17836%0.358CS..Hα-helixtrans-61.6-26.5179.246.20000114L185 R186 R187 L193 Q326L185-T189 VanDerWaalsContact O-CB 3.28Å; L185-T189 WeakPolarHBondContact O-CB 3.43Å; L185-T189 WeakPolarHBondContact O-CG2 3.34Å; L185-T189 PolarHBondContact O-N 2.96Å; L185-T189 PolarHBondContact O-OG1 2.64Å; R186-T189 VanDerWaalsContact C-OG1 3.29Å; R186-T189 WeakPolarHBondContact CA-OG1 3.37Å; R186-T189 PolarHBondContact O-OG1 3.26Å; R187-T189 VanDerWaalsContact C-N 3.33Å; T189-L193 WeakPolarHBondContact O-CB 3.19Å; T189-L193 PolarHBondContact O-N 3.21Å; T189-Q326 VanDerWaalsContact CB-CD 3.45Å; T189-Q326 VanDerWaalsContact CG2-NE2 3.3Å; T189-Q326 VanDerWaalsContact OG1-CD 3.3Å; T189-Q326 PolarHBondContact OG1-NE2 2.85Å; T189-Q326 PolarHBondContact OG1-OE1 3.15Å
190N69.4Low66.7Low54 Ų5466.9 Ų66.929%0.28934%0.338SS..Hα-helixtrans-69.3-37.6171.8-76.3-35.8000111.7L188 F194 K238L188-N190 PolarHBondContact O-N 3.01Å; N190-F194 PolarHBondContact O-N 3.07Å; N190-F194 VanDerWaalsContact O-N 3.14Å; N190-K238 PolarHBondContact OD1-NZ 2.7Å
191F72.3Confident68.9Low116 Ų11664.4 Ų64.451%0.50932%0.317SS..Hα-helixtrans-71.1-40.6174.6177.9-103.7000111.6L188 L193 F194 L195L188-F191 HydrophobicContact CD2-CD1 4.36Å; L188-F191 CarbonylContact O-C 3.49Å; L188-F191 WeakPolarHBondContact O-CA 3.45Å; L188-F191 WeakPolarHBondContact O-CB 3.25Å; L188-F191 PolarHBondContact O-N 3.38Å; F191-L193 VanDerWaalsContact C-N 3.31Å; F191-L193 PolarHBondContact O-N 2.76Å; F191-F194 WeakPolarHBondContact O-CB 3.12Å; F191-F194 PolarHBondContact O-N 3.15Å; F191-L195 HydrophobicContact CD1-CD1 4.02Å; F191-L195 HydrophobicContact CE1-CD1 3.35Å; F191-L195 HydrophobicContact CE1-CG 4.08Å; F191-L195 HydrophobicContact CE2-CD1 4.45Å; F191-L195 HydrophobicContact CE2-CG 4.38Å; F191-L195 HydrophobicContact CZ-CD1 3.61Å; F191-L195 HydrophobicContact CZ-CD2 4.29Å; F191-L195 HydrophobicContact CZ-CG 4.01Å; F191-L195 PolarHBondContact O-N 3.37Å
192V73.8Confident71.1Confident63 Ų6361.1 Ų61.138%0.38230%0.3SS..Hα-helixtrans-59.3-44.2172.4176.40000110.4L188 F194 L195 F196L188-V192 HydrophobicContact CD2-CG2 3.74Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 2.79Å; V192-F194 VanDerWaalsContact C-N 3.29Å; V192-F194 PolarHBondContact O-N 3.38Å; V192-L195 PolarHBondContact O-N 2.88Å; V192-F196 VanDerWaalsContact O-CB 3.27Å; V192-F196 WeakPolarHBondContact O-CB 3.12Å; V192-F196 PolarHBondContact O-N 3.38Å
193L78.3Confident73Confident9 Ų959.6 Ų59.65%0.04729%0.285CS..Hα-helixtrans-63.3-35.9178.2-163.768.4000112.7T189 F191 T197 K238 F319 T323T189-L193 WeakPolarHBondContact O-CB 3.19Å; T189-L193 PolarHBondContact O-N 3.21Å; F191-L193 VanDerWaalsContact C-N 3.31Å; F191-L193 PolarHBondContact O-N 2.76Å; L193-T197 PolarHBondContact O-N 3.48Å; L193-T197 PolarHBondContact O-OG1 2.75Å; L193-K238 HydrophobicContact CD2-CD 4.42Å; L193-K238 HydrophobicContact CD2-CG 4.39Å; L193-F319 HydrophobicContact CD1-CD2 4.33Å; L193-F319 HydrophobicContact CD1-CE2 3.94Å; L193-T323 HydrophobicContact CD1-CG2 3.72Å; L193-T323 HydrophobicContact CD2-CG2 4.48Å
194F80.6Confident74.7Confident41 Ų4156.7 Ų56.718%0.1827%0.268CS..Hα-helixtrans-66.4-45175169.2-100.5000112.2N190 F191 V192 T197 A198 F216 I219 S220N190-F194 PolarHBondContact O-N 3.07Å; N190-F194 VanDerWaalsContact O-N 3.14Å; F191-F194 WeakPolarHBondContact O-CB 3.12Å; F191-F194 PolarHBondContact O-N 3.15Å; V192-F194 VanDerWaalsContact C-N 3.29Å; V192-F194 PolarHBondContact O-N 3.38Å; F194-T197 VanDerWaalsContact CA-OG1 3.32Å; F194-T197 WeakPolarHBondContact CA-OG1 3.44Å; F194-T197 PolarHBondContact O-N 2.69Å; F194-T197 PolarHBondContact O-OG1 3.17Å; F194-A198 PolarHBondContact O-N 3.02Å; F194-F216 HydrophobicContact CD2-CD2 4.23Å; F194-F216 HydrophobicContact CE1-CD2 4.41Å; F194-F216 AromaticContact CE1-CE2 3.85Å; F194-F216 HydrophobicContact CE1-CE2 3.85Å; F194-F216 AromaticContact CE2-CD2 3.64Å; F194-F216 HydrophobicContact CE2-CD2 3.64Å; F194-F216 AromaticContact CE2-CE2 3.77Å; F194-F216 HydrophobicContact CE2-CE2 3.77Å; F194-F216 AromaticContact CZ-CD2 3.76Å; F194-F216 HydrophobicContact CZ-CD2 3.76Å; F194-F216 AromaticContact CZ-CE2 3.35Å; F194-F216 HydrophobicContact CZ-CE2 3.35Å; F194-F216 HydrophobicContact CZ-CZ 4.4Å; F194-I219 HydrophobicContact CD2-CB 4.39Å; F194-I219 HydrophobicContact CD2-CG2 3.72Å; F194-I219 HydrophobicContact CE2-CB 4.29Å; F194-I219 HydrophobicContact CE2-CG2 3.84Å; F194-S220 VanDerWaalsContact CE2-OG 3.3Å; F194-S220 WeakPolarHBondContact CE2-OG 3.41Å; F194-S220 WeakPolarHBondContact CZ-OG 3.32Å
195L79.4Confident76.6Confident82 Ų8254.5 Ų54.543%0.42925%0.253SS..Hα-helixtrans-67.1-39.1174.6-69.2-179.4000111.9F191 V192 T197 A198 Y199F191-L195 HydrophobicContact CD1-CD1 4.02Å; F191-L195 HydrophobicContact CE1-CD1 3.35Å; F191-L195 HydrophobicContact CE1-CG 4.08Å; F191-L195 HydrophobicContact CE2-CD1 4.45Å; F191-L195 HydrophobicContact CE2-CG 4.38Å; F191-L195 HydrophobicContact CZ-CD1 3.61Å; F191-L195 HydrophobicContact CZ-CD2 4.29Å; F191-L195 HydrophobicContact CZ-CG 4.01Å; F191-L195 PolarHBondContact O-N 3.37Å; V192-L195 PolarHBondContact O-N 2.88Å; L195-T197 VanDerWaalsContact C-N 3.3Å; L195-T197 PolarHBondContact O-N 3.04Å; L195-A198 WeakPolarHBondContact O-CB 3.3Å; L195-A198 PolarHBondContact O-N 3.45Å; L195-Y199 PolarHBondContact O-N 3.3Å
196F85.2Confident78.3Confident48 Ų4849.8 Ų49.821%0.21123%0.228CC..Hα-helixtrans-69.7-27.9-180-145.5-99.5000112.1V192 Y199 V200 V315 V318 F319 L322V192-F196 VanDerWaalsContact O-CB 3.27Å; V192-F196 WeakPolarHBondContact O-CB 3.12Å; V192-F196 PolarHBondContact O-N 3.38Å; F196-Y199 HydrophobicContact CE2-CD1 4.4Å; F196-Y199 PolarHBondContact O-N 3.09Å; F196-V200 HydrophobicContact CD1-CG2 3.91Å; F196-V200 HydrophobicContact CE1-CG2 4.2Å; F196-V200 WeakPolarHBondContact O-CG2 3.18Å; F196-V200 PolarHBondContact O-N 3.25Å; F196-V315 HydrophobicContact CE1-CG1 4.16Å; F196-V315 HydrophobicContact CZ-CG1 4.4Å; F196-V318 HydrophobicContact CE1-CB 4.39Å; F196-V318 HydrophobicContact CE1-CG1 4.02Å; F196-V318 HydrophobicContact CZ-CB 4.31Å; F196-V318 HydrophobicContact CZ-CG1 3.75Å; F196-F319 HydrophobicContact CD1-CB 4.12Å; F196-F319 AromaticContact CD1-CD2 3.93Å; F196-F319 HydrophobicContact CD1-CD2 3.93Å; F196-F319 HydrophobicContact CD1-CG 4.49Å; F196-F319 HydrophobicContact CE1-CB 4.05Å; F196-L322 HydrophobicContact CD1-CD1 4.4Å; F196-L322 HydrophobicContact CE1-CD1 4.36Å
197T88.2Confident79.7Confident6 Ų646.2 Ų46.24%0.03722%0.22CC..Hα-helixtrans-67.7-39.3171.322.80000111.9L193 F194 L195 G201 L241 F319L193-T197 PolarHBondContact O-N 3.48Å; L193-T197 PolarHBondContact O-OG1 2.75Å; F194-T197 VanDerWaalsContact CA-OG1 3.32Å; F194-T197 WeakPolarHBondContact CA-OG1 3.44Å; F194-T197 PolarHBondContact O-N 2.69Å; F194-T197 PolarHBondContact O-OG1 3.17Å; L195-T197 VanDerWaalsContact C-N 3.3Å; L195-T197 PolarHBondContact O-N 3.04Å; T197-G201 PolarHBondContact O-N 3.4Å; T197-L241 HydrophobicContact CG2-CD1 4.44Å; T197-F319 HydrophobicContact CG2-CE2 3.6Å; T197-F319 HydrophobicContact CG2-CZ 3.59Å
198A85.1Confident81Confident11 Ų1136.7 Ų36.79%0.09118%0.184CC..Hα-helixtrans-61.5-45.1171.400000111.3F194 L195 G201 I202 F216F194-A198 PolarHBondContact O-N 3.02Å; L195-A198 WeakPolarHBondContact O-CB 3.3Å; L195-A198 PolarHBondContact O-N 3.45Å; A198-G201 PolarHBondContact O-N 3.01Å; A198-I202 WeakPolarHBondContact O-CG1 3.45Å; A198-I202 PolarHBondContact O-N 3.26Å; A198-I202 VanDerWaalsContact O-N 3.1Å; A198-F216 HydrophobicContact CB-CB 4.38Å; A198-F216 HydrophobicContact CB-CD1 4.1Å; A198-F216 HydrophobicContact CB-CD2 3.52Å; A198-F216 HydrophobicContact CB-CE1 4.27Å; A198-F216 HydrophobicContact CB-CE2 3.69Å; A198-F216 HydrophobicContact CB-CG 3.72Å; A198-F216 HydrophobicContact CB-CZ 4.07Å
199Y87.6Confident82.4Confident92 Ų9232.5 Ų32.536%0.36116%0.163SC..Hα-helixtrans-61.8-48.8179.9-174-112.6000112.5L195 F196 G201 I202 V203 V315L195-Y199 PolarHBondContact O-N 3.3Å; F196-Y199 HydrophobicContact CE2-CD1 4.4Å; F196-Y199 PolarHBondContact O-N 3.09Å; Y199-G201 PolarHBondContact O-N 2.79Å; Y199-I202 PolarHBondContact O-N 3.2Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; Y199-V203 HydrophobicContact CD1-CG2 4.01Å; Y199-V203 HydrophobicContact CD2-CG2 4.12Å; Y199-V203 HydrophobicContact CE1-CG2 3.67Å; Y199-V203 HydrophobicContact CE2-CG2 3.78Å; Y199-V203 HydrophobicContact CG-CG2 4.23Å; Y199-V203 VanDerWaalsContact O-CG2 3.26Å; Y199-V203 WeakPolarHBondContact O-CG2 3.46Å; Y199-V203 PolarHBondContact O-N 2.85Å; Y199-V315 HydrophobicContact CD1-CG1 3.9Å; Y199-V315 HydrophobicContact CD1-CG2 4.47Å; Y199-V315 HydrophobicContact CE1-CG1 4.01Å; Y199-V315 HydrophobicContact CE1-CG2 3.75Å
200V88.2Confident83.4Confident0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-58.8-35.2177-178.60000111.1F196 Y212 V315 V316 F319F196-V200 HydrophobicContact CD1-CG2 3.91Å; F196-V200 HydrophobicContact CE1-CG2 4.2Å; F196-V200 WeakPolarHBondContact O-CG2 3.18Å; F196-V200 PolarHBondContact O-N 3.25Å; V200-Y212 HydrophobicContact CB-CD2 4.37Å; V200-Y212 HydrophobicContact CB-CG 4.35Å; V200-Y212 HydrophobicContact CG1-CD1 4.33Å; V200-Y212 HydrophobicContact CG1-CD2 3.43Å; V200-Y212 VanDerWaalsContact CG1-CD2 3.43Å; V200-Y212 HydrophobicContact CG1-CE2 3.67Å; V200-Y212 HydrophobicContact CG1-CG 3.8Å; V200-V315 HydrophobicContact CB-CG1 4.27Å; V200-V315 HydrophobicContact CG2-CG1 3.58Å; V200-V316 HydrophobicContact CG1-CG2 4.34Å; V200-F319 HydrophobicContact CG2-CB 4Å; V200-F319 HydrophobicContact CG2-CD2 4.19Å; V200-F319 HydrophobicContact CG2-CG 4.05Å
201G86.6Confident84.4Confident0 Ų032.2 Ų32.20%016%0.161CC..Hα-helixtrans-69.7-33.6176.900000114.6T197 A198 Y199 Y485T197-G201 PolarHBondContact O-N 3.4Å; A198-G201 PolarHBondContact O-N 3.01Å; Y199-G201 PolarHBondContact O-N 2.79Å; G201-Y485 WeakPolarHBondContact O-CE2 3.48Å; G201-Y485 PolarHBondContact O-OH 3.2Å
202I88.3Confident85.3Confident10 Ų1026.7 Ų26.75%0.05114%0.136CC..Hα-helixtrans-90.9-29.7-173.7-62.2164.2000112.7A198 Y199 K204 F213 V516 L519 T523A198-I202 WeakPolarHBondContact O-CG1 3.45Å; A198-I202 PolarHBondContact O-N 3.26Å; A198-I202 VanDerWaalsContact O-N 3.1Å; Y199-I202 PolarHBondContact O-N 3.2Å; Y199-I202 VanDerWaalsContact O-N 3.12Å; I202-K204 VanDerWaalsContact C-N 3.29Å; I202-K204 PolarHBondContact O-N 2.8Å; I202-K204 VanDerWaalsContact O-N 3.17Å; I202-F213 HydrophobicContact CD1-CE2 4.49Å; I202-F213 HydrophobicContact CG1-CD2 4.11Å; I202-F213 HydrophobicContact CG1-CE2 4.17Å; I202-V516 HydrophobicContact CG2-CB 4.5Å; I202-V516 HydrophobicContact CG2-CG1 4.32Å; I202-V516 WeakPolarHBondContact O-CG2 3.28Å; I202-L519 HydrophobicContact CG1-CB 4.44Å; I202-L519 HydrophobicContact CG2-CB 3.69Å; I202-L519 HydrophobicContact CG2-CD1 4.28Å; I202-T523 HydrophobicContact CD1-CG2 4.14Å
203V85.7Confident86Confident0 Ų023.9 Ų23.90%012%0.119CC..Hα-helixtrans-51.8-42.5-172.9162.50000113.6Y199 P308 N312 V516Y199-V203 HydrophobicContact CD1-CG2 4.01Å; Y199-V203 HydrophobicContact CD2-CG2 4.12Å; Y199-V203 HydrophobicContact CE1-CG2 3.67Å; Y199-V203 HydrophobicContact CE2-CG2 3.78Å; Y199-V203 HydrophobicContact CG-CG2 4.23Å; Y199-V203 VanDerWaalsContact O-CG2 3.26Å; Y199-V203 WeakPolarHBondContact O-CG2 3.46Å; Y199-V203 PolarHBondContact O-N 2.85Å; V203-P308 HydrophobicContact CG1-CB 4.45Å; V203-P308 VanDerWaalsContact O-CB 3.28Å; V203-P308 WeakPolarHBondContact O-CB 3.44Å; V203-N312 HydrophobicContact CG1-CB 4.25Å; V203-V516 WeakPolarHBondContact O-CG2 3.39Å
204K84.5Confident86.5Confident24 Ų2428.1 Ų28.110%0.10414%0.141CC..SBendtrans-140.9102173.2-176.2177.3-174.1178.30108.3I202 S206 N209 G276 T278 L309 N312I202-K204 VanDerWaalsContact C-N 3.29Å; I202-K204 PolarHBondContact O-N 2.8Å; I202-K204 VanDerWaalsContact O-N 3.17Å; K204-S206 PolarHBondContact O-N 2.82Å; K204-N209 VanDerWaalsContact O-CB 3.29Å; K204-N209 WeakPolarHBondContact O-CB 3.42Å; K204-N209 PolarHBondContact O-ND2 3.45Å; K204-G276 PolarHBondContact NZ-O 3.41Å; K204-T278 PolarHBondContact NZ-OG1 2.86Å; K204-L309 HydrophobicContact CD-CD2 4.44Å; K204-N312 HydrophobicContact CB-CB 4.48Å
205P85Confident86.8Confident16 Ų1627.1 Ų27.110%0.10414%0.141CC..  trans-63.5109.3178.925.3-32.7000109.4Y485 S488 A515P205-Y485 HydrophobicContact CB-CE2 4.1Å; P205-S488 WeakPolarHBondContact CG-O 3.28Å; P205-A515 HydrophobicContact CG-CB 4.29Å
206S84.7Confident87.2Confident3 Ų323.6 Ų23.62%0.02112%0.122CC..SBendtrans-146.8170.3178.871.10000109.8K204 S208 N209 S210 Y485K204-S206 PolarHBondContact O-N 2.82Å; S206-S208 VanDerWaalsContact C-N 3.29Å; S206-S208 PolarHBondContact O-N 3.39Å; S206-S208 PolarHBondContact OG-N 3Å; S206-S208 PolarHBondContact OG-OG 3.33Å; S206-N209 PolarHBondContact O-N 2.89Å; S206-N209 PolarHBondContact OG-N 3.33Å; S206-N209 VanDerWaalsContact OG-N 3.09Å; S206-S210 WeakPolarHBondContact O-CB 3.26Å; S206-S210 PolarHBondContact O-N 3.19Å; S206-Y485 PolarHBondContact O-OH 3.01Å
207L86.9Confident87.3Confident71 Ų7122 Ų2237%0.37212%0.115SC..Hα-helixtrans-62.4-38.3174.2-172.263.9000111.4S210 L274 F275L207-S210 PolarHBondContact O-N 2.79Å; L207-S210 PolarHBondContact O-OG 3.3Å; L207-L274 HydrophobicContact CB-CD1 4.41Å; L207-L274 HydrophobicContact CB-CG 4.2Å; L207-L274 VanDerWaalsContact CB-O 3.26Å; L207-L274 WeakPolarHBondContact CB-O 3.37Å; L207-L274 HydrophobicContact CD2-CD1 4.47Å; L207-L274 HydrophobicContact CD2-CD2 3.94Å; L207-L274 HydrophobicContact CD2-CG 3.97Å; L207-L274 PolarHBondContact N-O 3.42Å; L207-F275 HydrophobicContact CD2-CE1 4.08Å; L207-F275 HydrophobicContact CD2-CZ 4.35Å
208S86.3Confident87.2Confident7 Ų727.1 Ų27.15%0.04914%0.137CC..Hα-helixtrans-67.3-41.1177.957.60000112.8S206 S210 Y244 H248 F275S206-S208 VanDerWaalsContact C-N 3.29Å; S206-S208 PolarHBondContact O-N 3.39Å; S206-S208 PolarHBondContact OG-N 3Å; S206-S208 PolarHBondContact OG-OG 3.33Å; S208-S210 VanDerWaalsContact C-N 3.35Å; S208-Y244 WeakPolarHBondContact CA-OH 3.37Å; S208-Y244 PolarHBondContact O-OH 3.49Å; S208-Y244 VanDerWaalsContact O-OH 3.09Å; S208-H248 PolarHBondContact OG-NE2 2.96Å; S208-F275 PolarHBondContact OG-O 3.09Å
209N88.9Confident87.2Confident0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-77.6-21.3178.7-77.4-19.6000113.4K204 S206 I211 Y212 F213 H248 N312K204-N209 VanDerWaalsContact O-CB 3.29Å; K204-N209 WeakPolarHBondContact O-CB 3.42Å; K204-N209 PolarHBondContact O-ND2 3.45Å; S206-N209 PolarHBondContact O-N 2.89Å; S206-N209 PolarHBondContact OG-N 3.33Å; S206-N209 VanDerWaalsContact OG-N 3.09Å; N209-I211 PolarHBondContact O-N 3.36Å; N209-I211 VanDerWaalsContact O-N 3.15Å; N209-Y212 HydrophobicContact CB-CD2 4.43Å; N209-Y212 PolarHBondContact O-N 2.85Å; N209-F213 PolarHBondContact O-N 2.91Å; N209-H248 PolarHBondContact OD1-CE1 3.44Å; N209-N312 PolarHBondContact ND2-OD1 2.85Å; N209-N312 VanDerWaalsContact ND2-OD1 3.16Å
210S87.5Confident87Confident16 Ų1623.6 Ų23.611%0.11212%0.123CC..Hα-helixtrans-57.6-30.2177750000112.8S206 L207 S208 Y212 F213 L214 Y485S206-S210 WeakPolarHBondContact O-CB 3.26Å; S206-S210 PolarHBondContact O-N 3.19Å; L207-S210 PolarHBondContact O-N 2.79Å; L207-S210 PolarHBondContact O-OG 3.3Å; S208-S210 VanDerWaalsContact C-N 3.35Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 2.7Å; S210-F213 PolarHBondContact O-N 3.45Å; S210-L214 WeakPolarHBondContact O-CB 3.3Å; S210-L214 WeakPolarHBondContact O-CG 3.36Å; S210-L214 PolarHBondContact O-N 2.9Å; S210-Y485 VanDerWaalsContact CA-OH 3.3Å; S210-Y485 WeakPolarHBondContact CA-OH 3.35Å; S210-Y485 PolarHBondContact N-OH 3.12Å; S210-Y485 VanDerWaalsContact N-OH 3.16Å
211I89.9Confident86.9Confident61 Ų6125.7 Ų25.731%0.31314%0.136SC..Hα-helixtrans-62.7-37176.3-67.2169.2000111.1N209 A215 F240 Y244N209-I211 PolarHBondContact O-N 3.36Å; N209-I211 VanDerWaalsContact O-N 3.15Å; I211-A215 VanDerWaalsContact O-CB 3.29Å; I211-A215 WeakPolarHBondContact O-CB 3.45Å; I211-A215 PolarHBondContact O-N 2.72Å; I211-A215 VanDerWaalsContact O-N 3.09Å; I211-F240 HydrophobicContact CG2-CE1 4.2Å; I211-Y244 HydrophobicContact CB-CE1 4.3Å; I211-Y244 HydrophobicContact CD1-CE1 4.16Å; I211-Y244 HydrophobicContact CD1-CE2 3.81Å; I211-Y244 HydrophobicContact CG2-CD1 4.46Å; I211-Y244 HydrophobicContact CG2-CE1 4.36Å
212Y90.7Very high86.8Confident0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-73.6-38.8176.1-52.3-67000111.8V200 N209 S210 A215 F216 L241 Y244 H248 F319V200-Y212 HydrophobicContact CB-CD2 4.37Å; V200-Y212 HydrophobicContact CB-CG 4.35Å; V200-Y212 HydrophobicContact CG1-CD1 4.33Å; V200-Y212 HydrophobicContact CG1-CD2 3.43Å; V200-Y212 VanDerWaalsContact CG1-CD2 3.43Å; V200-Y212 HydrophobicContact CG1-CE2 3.67Å; V200-Y212 HydrophobicContact CG1-CG 3.8Å; N209-Y212 HydrophobicContact CB-CD2 4.43Å; N209-Y212 PolarHBondContact O-N 2.85Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 2.7Å; Y212-A215 PolarHBondContact O-N 3.38Å; Y212-F216 PolarHBondContact O-N 3.46Å; Y212-L241 HydrophobicContact CD1-CD2 3.86Å; Y212-L241 HydrophobicContact CE1-CD2 4.02Å; Y212-Y244 AromaticContact CE1-CD1 3.79Å; Y212-Y244 HydrophobicContact CE1-CD1 3.79Å; Y212-Y244 HydrophobicContact CE1-CE1 4.15Å; Y212-Y244 HydrophobicContact CE2-CD1 4.39Å; Y212-Y244 AromaticContact CE2-CE1 3.95Å; Y212-Y244 HydrophobicContact CE2-CE1 3.95Å; Y212-Y244 AromaticContact CZ-CD1 3.57Å; Y212-Y244 AromaticContact CZ-CE1 3.58Å; Y212-Y244 VanDerWaalsContact OH-CD1 3.27Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.42Å; Y212-Y244 WeakPolarHBondContact OH-CE1 3.38Å; Y212-H248 AromaticContact CE2-ND1 3.78Å; Y212-H248 PolarHBondContact OH-ND1 2.69Å; Y212-F319 HydrophobicContact CD1-CE1 4.14Å; Y212-F319 HydrophobicContact CE1-CD1 4.28Å; Y212-F319 AromaticContact CE1-CE1 3.82Å; Y212-F319 HydrophobicContact CE1-CE1 3.82Å
213F88.3Confident86.6Confident4 Ų436.2 Ų36.22%0.01818%0.176CC..Hα-helixtrans-67.8-43177.9-173.2-111.1000112.4I202 N209 S210 A215 F216 L217 Y485 T523I202-F213 HydrophobicContact CD1-CE2 4.49Å; I202-F213 HydrophobicContact CG1-CD2 4.11Å; I202-F213 HydrophobicContact CG1-CE2 4.17Å; N209-F213 PolarHBondContact O-N 2.91Å; S210-F213 PolarHBondContact O-N 3.45Å; F213-A215 VanDerWaalsContact C-N 3.34Å; F213-F216 HydrophobicContact CD2-CD1 4.41Å; F213-F216 HydrophobicContact CE2-CD1 4.4Å; F213-F216 WeakPolarHBondContact O-CB 3.01Å; F213-F216 PolarHBondContact O-N 2.94Å; F213-F216 VanDerWaalsContact O-N 3.16Å; F213-L217 HydrophobicContact CD1-CD1 4.02Å; F213-L217 HydrophobicContact CD1-CG 4.49Å; F213-L217 HydrophobicContact CE1-CD1 3.58Å; F213-L217 HydrophobicContact CE1-CG 4.18Å; F213-L217 HydrophobicContact CZ-CD1 4.08Å; F213-L217 HydrophobicContact CZ-CD2 4.45Å; F213-L217 HydrophobicContact CZ-CG 4.31Å; F213-L217 PolarHBondContact O-N 2.91Å; F213-Y485 HydrophobicContact CB-CE2 4.06Å; F213-Y485 AromaticContact CD1-CD2 3.71Å; F213-Y485 HydrophobicContact CD1-CD2 3.71Å; F213-Y485 AromaticContact CD1-CE2 3.99Å; F213-Y485 HydrophobicContact CD1-CE2 3.99Å; F213-Y485 HydrophobicContact CD1-CG 4.02Å; F213-Y485 HydrophobicContact CD2-CD2 4.4Å; F213-Y485 HydrophobicContact CD2-CE2 4.41Å; F213-Y485 AromaticContact CE1-CD2 3.85Å; F213-Y485 HydrophobicContact CE1-CD2 3.85Å; F213-Y485 HydrophobicContact CE1-CG 4.04Å; F213-Y485 HydrophobicContact CG-CD2 4Å; F213-Y485 AromaticContact CG-CE2 3.91Å; F213-Y485 HydrophobicContact CG-CE2 3.91Å; F213-Y485 HydrophobicContact CZ-CD2 4.27Å; F213-T523 HydrophobicContact CE2-CG2 4.16Å
214L88.7Confident86.5Confident99 Ų9936.2 Ų36.252%0.51818%0.176SC..Hα-helixtrans-64.9-38.1173.5-71.4174000111.7S210 F216 L217 F218S210-L214 WeakPolarHBondContact O-CB 3.3Å; S210-L214 WeakPolarHBondContact O-CG 3.36Å; S210-L214 PolarHBondContact O-N 2.9Å; L214-F216 VanDerWaalsContact C-N 3.3Å; L214-F216 PolarHBondContact O-N 3.16Å; L214-L217 PolarHBondContact O-N 2.66Å; L214-F218 WeakPolarHBondContact O-CB 3.44Å; L214-F218 PolarHBondContact O-N 3.31Å
215A86.9Confident86.5Confident20 Ų2038 Ų3817%0.16519%0.188CC..Hα-helixtrans-62.2-38.7172.500000111.6I211 Y212 F213 I219I211-A215 VanDerWaalsContact O-CB 3.29Å; I211-A215 WeakPolarHBondContact O-CB 3.45Å; I211-A215 PolarHBondContact O-N 2.72Å; I211-A215 VanDerWaalsContact O-N 3.09Å; Y212-A215 PolarHBondContact O-N 3.38Å; F213-A215 VanDerWaalsContact C-N 3.34Å; A215-I219 WeakPolarHBondContact O-CB 3.45Å; A215-I219 WeakPolarHBondContact O-CD1 3.39Å; A215-I219 WeakPolarHBondContact O-CG1 3.38Å; A215-I219 PolarHBondContact O-N 3.29Å
216F88.8Confident86.2Confident8 Ų840.2 Ų40.24%0.03520%0.195CC..Hα-helixtrans-65.3-49.2174.9162.9-103.3000112.6F194 A198 Y212 F213 L214 F218 I219 S220F194-F216 HydrophobicContact CD2-CD2 4.23Å; F194-F216 HydrophobicContact CE1-CD2 4.41Å; F194-F216 AromaticContact CE1-CE2 3.85Å; F194-F216 HydrophobicContact CE1-CE2 3.85Å; F194-F216 AromaticContact CE2-CD2 3.64Å; F194-F216 HydrophobicContact CE2-CD2 3.64Å; F194-F216 AromaticContact CE2-CE2 3.77Å; F194-F216 HydrophobicContact CE2-CE2 3.77Å; F194-F216 AromaticContact CZ-CD2 3.76Å; F194-F216 HydrophobicContact CZ-CD2 3.76Å; F194-F216 AromaticContact CZ-CE2 3.35Å; F194-F216 HydrophobicContact CZ-CE2 3.35Å; F194-F216 HydrophobicContact CZ-CZ 4.4Å; A198-F216 HydrophobicContact CB-CB 4.38Å; A198-F216 HydrophobicContact CB-CD1 4.1Å; A198-F216 HydrophobicContact CB-CD2 3.52Å; A198-F216 HydrophobicContact CB-CE1 4.27Å; A198-F216 HydrophobicContact CB-CE2 3.69Å; A198-F216 HydrophobicContact CB-CG 3.72Å; A198-F216 HydrophobicContact CB-CZ 4.07Å; Y212-F216 PolarHBondContact O-N 3.46Å; F213-F216 HydrophobicContact CD2-CD1 4.41Å; F213-F216 HydrophobicContact CE2-CD1 4.4Å; F213-F216 WeakPolarHBondContact O-CB 3.01Å; F213-F216 PolarHBondContact O-N 2.94Å; F213-F216 VanDerWaalsContact O-N 3.16Å; L214-F216 VanDerWaalsContact C-N 3.3Å; L214-F216 PolarHBondContact O-N 3.16Å; F216-F218 PolarHBondContact O-N 2.82Å; F216-I219 PolarHBondContact O-N 2.98Å; F216-S220 WeakPolarHBondContact CE2-OG 3.39Å; F216-S220 WeakPolarHBondContact O-CB 3.47Å; F216-S220 PolarHBondContact O-N 3.41Å; F216-S220 PolarHBondContact O-OG 3.43Å
217L86.6Confident85.8Confident13 Ų1343.2 Ų43.27%0.06821%0.213CC..Hα-helixtrans-59.8-47.9176.3-70.7179.2000110.3F213 L214 I219 S220 T221 I482F213-L217 HydrophobicContact CD1-CD1 4.02Å; F213-L217 HydrophobicContact CD1-CG 4.49Å; F213-L217 HydrophobicContact CE1-CD1 3.58Å; F213-L217 HydrophobicContact CE1-CG 4.18Å; F213-L217 HydrophobicContact CZ-CD1 4.08Å; F213-L217 HydrophobicContact CZ-CD2 4.45Å; F213-L217 HydrophobicContact CZ-CG 4.31Å; F213-L217 PolarHBondContact O-N 2.91Å; L214-L217 PolarHBondContact O-N 2.66Å; L217-I219 PolarHBondContact O-N 3.45Å; L217-S220 WeakPolarHBondContact O-CB 3.47Å; L217-S220 PolarHBondContact O-N 2.93Å; L217-S220 VanDerWaalsContact O-N 3.1Å; L217-T221 WeakPolarHBondContact O-CB 3.4Å; L217-T221 PolarHBondContact O-N 3.37Å; L217-T221 PolarHBondContact O-OG1 3.3Å; L217-I482 HydrophobicContact CD1-CG1 4.21Å
218F86Confident84.9Confident114 Ų11445.5 Ų45.550%0.523%0.233SC..Hα-helixtrans-57.9-46.1178-178.1-100.9000112.7L214 F216 S220 W222L214-F218 WeakPolarHBondContact O-CB 3.44Å; L214-F218 PolarHBondContact O-N 3.31Å; F216-F218 PolarHBondContact O-N 2.82Å; F218-S220 VanDerWaalsContact C-N 3.34Å; F218-S220 PolarHBondContact O-N 3.02Å; F218-W222 AromaticContact CE1-CE3 3.96Å; F218-W222 HydrophobicContact CE1-CE3 3.96Å; F218-W222 HydrophobicContact CE1-CZ3 4.38Å; F218-W222 AromaticContact CE2-CE3 3.97Å; F218-W222 HydrophobicContact CE2-CE3 3.97Å; F218-W222 HydrophobicContact CE2-CZ3 4.18Å; F218-W222 AromaticContact CZ-CE3 3.46Å; F218-W222 HydrophobicContact CZ-CE3 3.46Å; F218-W222 VanDerWaalsContact CZ-CE3 3.46Å; F218-W222 AromaticContact CZ-CZ3 3.59Å; F218-W222 HydrophobicContact CZ-CZ3 3.59Å; F218-W222 WeakPolarHBondContact O-CB 3.34Å; F218-W222 PolarHBondContact O-N 3.04Å
219I84.6Confident83.9Confident25 Ų2548.4 Ų48.413%0.12825%0.247CC..Hα-helixtrans-65.9-37.5177.5-66.9165000111F194 A215 F216 L217 W223F194-I219 HydrophobicContact CD2-CB 4.39Å; F194-I219 HydrophobicContact CD2-CG2 3.72Å; F194-I219 HydrophobicContact CE2-CB 4.29Å; F194-I219 HydrophobicContact CE2-CG2 3.84Å; A215-I219 WeakPolarHBondContact O-CB 3.45Å; A215-I219 WeakPolarHBondContact O-CD1 3.39Å; A215-I219 WeakPolarHBondContact O-CG1 3.38Å; A215-I219 PolarHBondContact O-N 3.29Å; F216-I219 PolarHBondContact O-N 2.98Å; L217-I219 PolarHBondContact O-N 3.45Å; I219-W223 VanDerWaalsContact O-CB 3.31Å; I219-W223 WeakPolarHBondContact O-CB 3.48Å; I219-W223 PolarHBondContact O-N 3.48Å
220S83.6Confident83Confident5 Ų558.1 Ų58.14%0.03528%0.284CS..Hα-helixtrans-69-47.8179.5-59.40000112.4F194 F216 L217 F218 W222 W223 S224F194-S220 VanDerWaalsContact CE2-OG 3.3Å; F194-S220 WeakPolarHBondContact CE2-OG 3.41Å; F194-S220 WeakPolarHBondContact CZ-OG 3.32Å; F216-S220 WeakPolarHBondContact CE2-OG 3.39Å; F216-S220 WeakPolarHBondContact O-CB 3.47Å; F216-S220 PolarHBondContact O-N 3.41Å; F216-S220 PolarHBondContact O-OG 3.43Å; L217-S220 WeakPolarHBondContact O-CB 3.47Å; L217-S220 PolarHBondContact O-N 2.93Å; L217-S220 VanDerWaalsContact O-N 3.1Å; F218-S220 VanDerWaalsContact C-N 3.34Å; F218-S220 PolarHBondContact O-N 3.02Å; S220-W222 VanDerWaalsContact C-N 3.34Å; S220-W223 WeakPolarHBondContact O-CB 3.25Å; S220-W223 PolarHBondContact O-N 3.1Å; S220-S224 PolarHBondContact O-N 3.1Å
221T86.1Confident82.1Confident44 Ų4464 Ų6427%0.2731%0.309SS..Hα-helixtrans-62.9-43.8175.6-460000109.5L217 W223 S224 T225 E478L217-T221 WeakPolarHBondContact O-CB 3.4Å; L217-T221 PolarHBondContact O-N 3.37Å; L217-T221 PolarHBondContact O-OG1 3.3Å; T221-W223 VanDerWaalsContact C-N 3.32Å; T221-W223 PolarHBondContact O-N 2.93Å; T221-S224 PolarHBondContact O-N 3.32Å; T221-S224 VanDerWaalsContact O-N 3.09Å; T221-S224 PolarHBondContact O-OG 2.9Å; T221-T225 WeakPolarHBondContact O-CG2 3.28Å; T221-T225 PolarHBondContact O-N 3.48Å; T221-T225 VanDerWaalsContact O-N 3.15Å; T221-E478 PolarHBondContact OG1-OE1 2.92Å
222W85.5Confident81.2Confident109 Ų10963.2 Ų63.241%0.41332%0.317SS..Hα-helixtrans-58.4-43.9174.4-161-70.9000111.8F218 S220 S224 T225 T227 L229F218-W222 AromaticContact CE1-CE3 3.96Å; F218-W222 HydrophobicContact CE1-CE3 3.96Å; F218-W222 HydrophobicContact CE1-CZ3 4.38Å; F218-W222 AromaticContact CE2-CE3 3.97Å; F218-W222 HydrophobicContact CE2-CE3 3.97Å; F218-W222 HydrophobicContact CE2-CZ3 4.18Å; F218-W222 AromaticContact CZ-CE3 3.46Å; F218-W222 HydrophobicContact CZ-CE3 3.46Å; F218-W222 VanDerWaalsContact CZ-CE3 3.46Å; F218-W222 AromaticContact CZ-CZ3 3.59Å; F218-W222 HydrophobicContact CZ-CZ3 3.59Å; F218-W222 WeakPolarHBondContact O-CB 3.34Å; F218-W222 PolarHBondContact O-N 3.04Å; S220-W222 VanDerWaalsContact C-N 3.34Å; W222-S224 VanDerWaalsContact C-N 3.34Å; W222-S224 PolarHBondContact O-N 3.32Å; W222-T225 PolarHBondContact O-N 3.38Å; W222-T225 PolarHBondContact O-OG1 3.43Å; W222-T227 VanDerWaalsContact CD1-OG1 3.24Å; W222-T227 PolarHBondContact NE1-OG1 3.31Å; W222-L229 HydrophobicContact CB-CD1 4.49Å; W222-L229 HydrophobicContact CG-CD1 3.92Å
223W83.5Confident80.6Confident122 Ų12266.5 Ų66.546%0.46234%0.336SS..Hα-helixtrans-63.8-37.2175.6-179.591000112.6I219 S220 T221 T225 Y226 R534I219-W223 VanDerWaalsContact O-CB 3.31Å; I219-W223 WeakPolarHBondContact O-CB 3.48Å; I219-W223 PolarHBondContact O-N 3.48Å; S220-W223 WeakPolarHBondContact O-CB 3.25Å; S220-W223 PolarHBondContact O-N 3.1Å; T221-W223 VanDerWaalsContact C-N 3.32Å; T221-W223 PolarHBondContact O-N 2.93Å; W223-T225 VanDerWaalsContact C-N 3.25Å; W223-T225 PolarHBondContact O-N 2.89Å; W223-Y226 PolarHBondContact O-N 3.09Å; W223-R534 VanDerWaalsContact CE2-CZ 3.43Å; W223-R534 VanDerWaalsContact CG-NH1 3.26Å; W223-R534 PolarHBondContact O-NH1 2.78Å
224S83.8Confident80Confident0 Ų067.9 Ų67.90%034%0.342CS..Hα-helixtrans-66.5-26.6177.780.60000113S220 T221 W222 Y226 R534S220-S224 PolarHBondContact O-N 3.1Å; T221-S224 PolarHBondContact O-N 3.32Å; T221-S224 VanDerWaalsContact O-N 3.09Å; T221-S224 PolarHBondContact O-OG 2.9Å; W222-S224 VanDerWaalsContact C-N 3.34Å; W222-S224 PolarHBondContact O-N 3.32Å; S224-Y226 VanDerWaalsContact C-N 3.28Å; S224-Y226 PolarHBondContact O-N 3.22Å; S224-R534 WeakPolarHBondContact O-CA 3.32Å
225T83.8Confident79.5Confident60 Ų6064.8 Ų64.837%0.36833%0.326SS..THydrogen-bonded Turntrans-79.3-0.8179.966.60000115T221 W222 W223 T227T221-T225 WeakPolarHBondContact O-CG2 3.28Å; T221-T225 PolarHBondContact O-N 3.48Å; T221-T225 VanDerWaalsContact O-N 3.15Å; W222-T225 PolarHBondContact O-N 3.38Å; W222-T225 PolarHBondContact O-OG1 3.43Å; W223-T225 VanDerWaalsContact C-N 3.25Å; W223-T225 PolarHBondContact O-N 2.89Å; T225-T227 PolarHBondContact O-N 2.94Å; T225-T227 PolarHBondContact OG1-OG1 2.94Å
226Y79.6Confident79.2Confident63 Ų6370.3 Ų70.325%0.24735%0.348CS..THydrogen-bonded Turntrans63.330.2178.7-160.9-107.6000114.9W223 S224 R534 R538 F541W223-Y226 PolarHBondContact O-N 3.09Å; S224-Y226 VanDerWaalsContact C-N 3.28Å; S224-Y226 PolarHBondContact O-N 3.22Å; Y226-R534 HydrophobicContact CD2-CG 4.44Å; Y226-R538 HydrophobicContact CD2-CB 4.23Å; Y226-R538 HydrophobicContact CD2-CG 4.33Å; Y226-R538 HydrophobicContact CE1-CG 4.49Å; Y226-R538 HydrophobicContact CE2-CB 4.24Å; Y226-R538 HydrophobicContact CE2-CG 3.83Å; Y226-F541 HydrophobicContact CD1-CB 4.28Å; Y226-F541 HydrophobicContact CD1-CD1 4.26Å; Y226-F541 HydrophobicContact CD1-CG 4.17Å; Y226-F541 HydrophobicContact CE1-CB 4.35Å; Y226-F541 AromaticContact CE1-CD1 3.58Å; Y226-F541 HydrophobicContact CE1-CD1 3.58Å; Y226-F541 HydrophobicContact CE1-CE1 4.01Å; Y226-F541 AromaticContact CE1-CG 3.96Å; Y226-F541 HydrophobicContact CE1-CG 3.96Å
227T75.1Confident78.9Confident66 Ų6672 Ų7241%0.40536%0.357SS..  trans-105140.6174.857.90000112W222 T225W222-T227 VanDerWaalsContact CD1-OG1 3.24Å; W222-T227 PolarHBondContact NE1-OG1 3.31Å; T225-T227 PolarHBondContact O-N 2.94Å; T225-T227 PolarHBondContact OG1-OG1 2.94Å
228P68.4Low78.8Confident120 Ų12071.4 Ų71.478%0.77935%0.354SS*.  trans-78.8133.4-175.629.5-33.7000113.6R230P228-R230 PolarHBondContact O-N 3.23Å
229L66.3Low78.8Confident67 Ų6772.6 Ų72.635%0.35136%0.359SS..  trans-79111.1173.9-131.488000110W222 H231 Y234W222-L229 HydrophobicContact CB-CD1 4.49Å; W222-L229 HydrophobicContact CG-CD1 3.92Å; L229-H231 PolarHBondContact O-N 3.45Å; L229-Y234 HydrophobicContact CD2-CD2 3.62Å; L229-Y234 HydrophobicContact CD2-CE2 4.39Å; L229-Y234 HydrophobicContact CD2-CG 3.97Å
230R70Confident79Confident205 Ų20576.9 Ų76.977%0.77438%0.377SS*.  trans-63.9134.3177.2-69.8-177176-174-1.4110.4P228 G232 V233 Y234P228-R230 PolarHBondContact O-N 3.23Å; R230-G232 PolarHBondContact O-N 3.01Å; R230-G232 VanDerWaalsContact O-N 3.15Å; R230-V233 HydrophobicContact CB-CG2 4.2Å; R230-V233 PolarHBondContact O-N 2.85Å; R230-Y234 PolarHBondContact O-N 3.45Å
231H67.3Low79.2Confident138 Ų13877.1 Ų77.164%0.63938%0.377SS*.Hα-helixtrans-54.7-35.1179.8-79-74.2000113.5L229 N235L229-H231 PolarHBondContact O-N 3.45Å; H231-N235 VanDerWaalsContact O-CB 3.31Å; H231-N235 WeakPolarHBondContact O-CB 3.37Å; H231-N235 VanDerWaalsContact O-CG 3.28Å; H231-N235 PolarHBondContact O-N 3.17Å; H231-N235 PolarHBondContact O-ND2 3.41Å
232G71.8Confident79.2Confident46 Ų4676.3 Ų76.347%0.47437%0.371SS..Hα-helixtrans-61.2-49175.100000113R230 N235 Q236R230-G232 PolarHBondContact O-N 3.01Å; R230-G232 VanDerWaalsContact O-N 3.15Å; G232-N235 PolarHBondContact O-N 3.46Å; G232-Q236 WeakPolarHBondContact O-CG 3.49Å; G232-Q236 PolarHBondContact O-N 3.37Å
233V77.3Confident79.3Confident68 Ų6878 Ų7841%0.41238%0.382SS..Hα-helixtrans-64.8-42.1178.6-179.10000110.4R230 N235 Q236 I237R230-V233 HydrophobicContact CB-CG2 4.2Å; R230-V233 PolarHBondContact O-N 2.85Å; V233-N235 PolarHBondContact O-N 3.48Å; V233-Q236 WeakPolarHBondContact O-CB 3.48Å; V233-Q236 PolarHBondContact O-N 3.18Å; V233-I237 HydrophobicContact CG1-CD1 4.13Å; V233-I237 WeakPolarHBondContact O-CG1 3.33Å; V233-I237 PolarHBondContact O-N 2.94Å
234Y76.2Confident79.7Confident33 Ų3374 Ų7413%0.12937%0.367CS..Hα-helixtrans-64.7-39.4176.7-168.4-135.7000112.6L229 R230 Q236 I237 K238L229-Y234 HydrophobicContact CD2-CD2 3.62Å; L229-Y234 HydrophobicContact CD2-CE2 4.39Å; L229-Y234 HydrophobicContact CD2-CG 3.97Å; R230-Y234 PolarHBondContact O-N 3.45Å; Y234-Q236 VanDerWaalsContact C-N 3.32Å; Y234-I237 PolarHBondContact O-N 2.96Å; Y234-K238 HydrophobicContact CD1-CD 4.42Å; Y234-K238 HydrophobicContact CE1-CD 4.34Å; Y234-K238 WeakPolarHBondContact O-CB 3.21Å; Y234-K238 WeakPolarHBondContact O-CG 3.49Å; Y234-K238 PolarHBondContact O-N 2.68Å
235N77.5Confident79.9Confident34 Ų3474 Ų7418%0.18237%0.367CS..Hα-helixtrans-67.9-30.8174.4-77.3-20.3000112.2H231 G232 V233 K239 T330H231-N235 VanDerWaalsContact O-CB 3.31Å; H231-N235 WeakPolarHBondContact O-CB 3.37Å; H231-N235 VanDerWaalsContact O-CG 3.28Å; H231-N235 PolarHBondContact O-N 3.17Å; H231-N235 PolarHBondContact O-ND2 3.41Å; G232-N235 PolarHBondContact O-N 3.46Å; V233-N235 PolarHBondContact O-N 3.48Å; N235-K239 WeakPolarHBondContact O-CB 3.36Å; N235-K239 PolarHBondContact O-N 3.35Å; N235-T330 PolarHBondContact OD1-OG1 3.2Å; N235-T330 VanDerWaalsContact OD1-OG1 3.05Å
236Q82.2Confident80.1Confident136 Ų13672.2 Ų72.264%0.63636%0.358SS*.Hα-helixtrans-67.3-46.6171.1-74.1173.9-8.300111.6G232 V233 Y234 K238 K239 F240G232-Q236 WeakPolarHBondContact O-CG 3.49Å; G232-Q236 PolarHBondContact O-N 3.37Å; V233-Q236 WeakPolarHBondContact O-CB 3.48Å; V233-Q236 PolarHBondContact O-N 3.18Å; Y234-Q236 VanDerWaalsContact C-N 3.32Å; Q236-K238 VanDerWaalsContact C-N 3.3Å; Q236-K238 PolarHBondContact O-N 3.14Å; Q236-K239 WeakPolarHBondContact O-CB 3.49Å; Q236-K239 PolarHBondContact O-N 3.03Å; Q236-K239 VanDerWaalsContact O-N 3.13Å; Q236-F240 PolarHBondContact O-N 2.93Å
237I82.3Confident80.5Confident43 Ų4373.2 Ų73.222%0.22137%0.367CS..Hα-helixtrans-58.2-44.9174-65.9166.8000110V233 Y234 K239 F240 L241V233-I237 HydrophobicContact CG1-CD1 4.13Å; V233-I237 WeakPolarHBondContact O-CG1 3.33Å; V233-I237 PolarHBondContact O-N 2.94Å; Y234-I237 PolarHBondContact O-N 2.96Å; I237-K239 PolarHBondContact O-N 3.37Å; I237-F240 PolarHBondContact O-N 2.93Å; I237-L241 HydrophobicContact CG2-CD1 3.79Å; I237-L241 HydrophobicContact CG2-CG 4.37Å; I237-L241 WeakPolarHBondContact O-CB 3.33Å; I237-L241 VanDerWaalsContact O-CG 3.3Å; I237-L241 WeakPolarHBondContact O-CG 3.5Å; I237-L241 PolarHBondContact O-N 2.63Å
238K84.8Confident81.2Confident2 Ų270.5 Ų70.51%0.00935%0.35CS..Hα-helixtrans-59.7-43.9174.3-75177.3-178.7178.30112.4N190 L193 Y234 Q236 F240 L241 I242N190-K238 PolarHBondContact OD1-NZ 2.7Å; L193-K238 HydrophobicContact CD2-CD 4.42Å; L193-K238 HydrophobicContact CD2-CG 4.39Å; Y234-K238 HydrophobicContact CD1-CD 4.42Å; Y234-K238 HydrophobicContact CE1-CD 4.34Å; Y234-K238 WeakPolarHBondContact O-CB 3.21Å; Y234-K238 WeakPolarHBondContact O-CG 3.49Å; Y234-K238 PolarHBondContact O-N 2.68Å; Q236-K238 VanDerWaalsContact C-N 3.3Å; Q236-K238 PolarHBondContact O-N 3.14Å; K238-F240 VanDerWaalsContact C-N 3.33Å; K238-F240 PolarHBondContact O-N 3.39Å; K238-L241 PolarHBondContact O-N 3.11Å; K238-I242 WeakPolarHBondContact O-CB 3.24Å; K238-I242 WeakPolarHBondContact O-CD1 3.38Å; K238-I242 WeakPolarHBondContact O-CG1 3.48Å; K238-I242 PolarHBondContact O-N 2.96Å
239K85.2Confident82.2Confident138 Ų13865.8 Ų65.860%0.632%0.318SS*.Hα-helixtrans-62.2-41.4178.6-170-176.8178.2-171.60111.4N235 Q236 I237 I242 F243N235-K239 WeakPolarHBondContact O-CB 3.36Å; N235-K239 PolarHBondContact O-N 3.35Å; Q236-K239 WeakPolarHBondContact O-CB 3.49Å; Q236-K239 PolarHBondContact O-N 3.03Å; Q236-K239 VanDerWaalsContact O-N 3.13Å; I237-K239 PolarHBondContact O-N 3.37Å; K239-I242 PolarHBondContact O-N 3.33Å; K239-F243 PolarHBondContact O-N 3.36Å; K239-F243 VanDerWaalsContact O-N 3.1Å
240F88.9Confident83.1Confident115 Ų11565.2 Ų65.250%0.50432%0.315SS..Hα-helixtrans-61.9-48.2173.2174.8-101.3000111.5I211 Q236 I237 K238 I242 F243 Y244I211-F240 HydrophobicContact CG2-CE1 4.2Å; Q236-F240 PolarHBondContact O-N 2.93Å; I237-F240 PolarHBondContact O-N 2.93Å; K238-F240 VanDerWaalsContact C-N 3.33Å; K238-F240 PolarHBondContact O-N 3.39Å; F240-I242 VanDerWaalsContact C-N 3.35Å; F240-I242 PolarHBondContact O-N 2.77Å; F240-F243 PolarHBondContact O-N 2.96Å; F240-Y244 WeakPolarHBondContact O-CB 3.43Å; F240-Y244 PolarHBondContact O-N 3.12Å
241L87.5Confident84Confident10 Ų1058.5 Ų58.55%0.05230%0.296CS..Hα-helixtrans-64.2-34.7178.3-70.2168.9000113.1T197 Y212 I237 K238 S245 F319T197-L241 HydrophobicContact CG2-CD1 4.44Å; Y212-L241 HydrophobicContact CD1-CD2 3.86Å; Y212-L241 HydrophobicContact CE1-CD2 4.02Å; I237-L241 HydrophobicContact CG2-CD1 3.79Å; I237-L241 HydrophobicContact CG2-CG 4.37Å; I237-L241 WeakPolarHBondContact O-CB 3.33Å; I237-L241 VanDerWaalsContact O-CG 3.3Å; I237-L241 WeakPolarHBondContact O-CG 3.5Å; I237-L241 PolarHBondContact O-N 2.63Å; K238-L241 PolarHBondContact O-N 3.11Å; L241-S245 VanDerWaalsContact O-CB 3.26Å; L241-S245 WeakPolarHBondContact O-CB 3.44Å; L241-S245 PolarHBondContact O-N 3.42Å; L241-S245 PolarHBondContact O-OG 2.93Å; L241-F319 HydrophobicContact CB-CE1 4.14Å; L241-F319 HydrophobicContact CB-CZ 4.24Å; L241-F319 HydrophobicContact CD1-CZ 4.2Å; L241-F319 HydrophobicContact CD2-CE1 4.48Å
242I86.5Confident84.8Confident28 Ų2852.4 Ų52.414%0.14427%0.268CS..Hα-helixtrans-65.5-46.3174.6-71.9163.6000110.6K238 K239 F240 S245 A246 F320 T323 V324 Y327K238-I242 WeakPolarHBondContact O-CB 3.24Å; K238-I242 WeakPolarHBondContact O-CD1 3.38Å; K238-I242 WeakPolarHBondContact O-CG1 3.48Å; K238-I242 PolarHBondContact O-N 2.96Å; K239-I242 PolarHBondContact O-N 3.33Å; F240-I242 VanDerWaalsContact C-N 3.35Å; F240-I242 PolarHBondContact O-N 2.77Å; I242-S245 PolarHBondContact O-OG 3.25Å; I242-S245 VanDerWaalsContact O-OG 3.1Å; I242-A246 WeakPolarHBondContact O-CB 3.47Å; I242-A246 PolarHBondContact O-N 3.27Å; I242-A246 VanDerWaalsContact O-N 3.12Å; I242-F320 HydrophobicContact CG2-CD2 4.24Å; I242-F320 HydrophobicContact CG2-CE2 3.87Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.27Å; I242-V324 HydrophobicContact CD1-CG2 4.24Å; I242-V324 HydrophobicContact CG1-CG2 4.14Å; I242-V324 HydrophobicContact CG2-CG2 3.8Å; I242-Y327 HydrophobicContact CD1-CD1 4.33Å; I242-Y327 HydrophobicContact CD1-CG 3.97Å
243F88.6Confident85.6Confident143 Ų14351.2 Ų51.263%0.62725%0.249SC*.Hα-helixtrans-64.7-46.2177.2177.8-100.7000111.3K239 F240 A246 L247K239-F243 PolarHBondContact O-N 3.36Å; K239-F243 VanDerWaalsContact O-N 3.1Å; F240-F243 PolarHBondContact O-N 2.96Å; F243-A246 PolarHBondContact O-N 3.17Å; F243-L247 WeakPolarHBondContact O-CB 3.46Å; F243-L247 PolarHBondContact O-N 3.15Å
244Y91.1Very high86Confident39 Ų3949.6 Ų49.615%0.15324%0.24CC..Hα-helixtrans-64.9-42.6179.9-174.5-105.2000112.3S208 I211 Y212 F240 L247 H248S208-Y244 WeakPolarHBondContact CA-OH 3.37Å; S208-Y244 PolarHBondContact O-OH 3.49Å; S208-Y244 VanDerWaalsContact O-OH 3.09Å; I211-Y244 HydrophobicContact CB-CE1 4.3Å; I211-Y244 HydrophobicContact CD1-CE1 4.16Å; I211-Y244 HydrophobicContact CD1-CE2 3.81Å; I211-Y244 HydrophobicContact CG2-CD1 4.46Å; I211-Y244 HydrophobicContact CG2-CE1 4.36Å; Y212-Y244 AromaticContact CE1-CD1 3.79Å; Y212-Y244 HydrophobicContact CE1-CD1 3.79Å; Y212-Y244 HydrophobicContact CE1-CE1 4.15Å; Y212-Y244 HydrophobicContact CE2-CD1 4.39Å; Y212-Y244 AromaticContact CE2-CE1 3.95Å; Y212-Y244 HydrophobicContact CE2-CE1 3.95Å; Y212-Y244 AromaticContact CZ-CD1 3.57Å; Y212-Y244 AromaticContact CZ-CE1 3.58Å; Y212-Y244 VanDerWaalsContact OH-CD1 3.27Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.42Å; Y212-Y244 WeakPolarHBondContact OH-CE1 3.38Å; F240-Y244 WeakPolarHBondContact O-CB 3.43Å; F240-Y244 PolarHBondContact O-N 3.12Å; Y244-L247 PolarHBondContact O-N 3.23Å; Y244-H248 WeakPolarHBondContact O-CB 3.24Å; Y244-H248 PolarHBondContact O-N 3.16Å
245S88.4Confident86.5Confident0 Ų048.4 Ų48.40%024%0.235CC..Hα-helixtrans-65.7-37.1176.352.80000113.2L241 I242 H248 F249L241-S245 VanDerWaalsContact O-CB 3.26Å; L241-S245 WeakPolarHBondContact O-CB 3.44Å; L241-S245 PolarHBondContact O-N 3.42Å; L241-S245 PolarHBondContact O-OG 2.93Å; I242-S245 PolarHBondContact O-OG 3.25Å; I242-S245 VanDerWaalsContact O-OG 3.1Å; S245-H248 PolarHBondContact O-N 3.23Å; S245-F249 WeakPolarHBondContact O-CB 3.49Å; S245-F249 PolarHBondContact O-N 3.49Å
246A86.9Confident86.9Confident23 Ų2347.7 Ų47.719%0.1923%0.231CC..Hα-helixtrans-64.5-44.2173.400000111.8I242 F243 L250 F320I242-A246 WeakPolarHBondContact O-CB 3.47Å; I242-A246 PolarHBondContact O-N 3.27Å; I242-A246 VanDerWaalsContact O-N 3.12Å; F243-A246 PolarHBondContact O-N 3.17Å; A246-L250 WeakPolarHBondContact O-CB 3.11Å; A246-L250 PolarHBondContact O-N 3.4Å; A246-F320 HydrophobicContact CB-CD2 4.08Å; A246-F320 HydrophobicContact CB-CE2 3.83Å
247L88.7Confident86.9Confident83 Ų8341.2 Ų41.244%0.43520%0.2SC..Hα-helixtrans-64.9-44.5176-175.368.5000111.4F243 Y244 F249 L250 V251F243-L247 WeakPolarHBondContact O-CB 3.46Å; F243-L247 PolarHBondContact O-N 3.15Å; Y244-L247 PolarHBondContact O-N 3.23Å; L247-F249 PolarHBondContact O-N 2.99Å; L247-L250 PolarHBondContact O-N 2.94Å; L247-V251 VanDerWaalsContact O-CG2 3.32Å; L247-V251 WeakPolarHBondContact O-CG2 3.18Å; L247-V251 PolarHBondContact O-N 3.1Å
248H89.5Confident86.7Confident10 Ų1039.9 Ų39.95%0.04619%0.194CC..Hα-helixtrans-62.2-44.4179.7-172.9-167.5000111.2S208 N209 Y212 Y244 S245 L250 V251 L252 V316S208-H248 PolarHBondContact OG-NE2 2.96Å; N209-H248 PolarHBondContact OD1-CE1 3.44Å; Y212-H248 AromaticContact CE2-ND1 3.78Å; Y212-H248 PolarHBondContact OH-ND1 2.69Å; Y244-H248 WeakPolarHBondContact O-CB 3.24Å; Y244-H248 PolarHBondContact O-N 3.16Å; S245-H248 PolarHBondContact O-N 3.23Å; H248-L250 PolarHBondContact O-N 2.99Å; H248-V251 PolarHBondContact O-N 2.88Å; H248-L252 WeakPolarHBondContact O-CB 3.41Å; H248-L252 VanDerWaalsContact O-CG 3.31Å; H248-L252 WeakPolarHBondContact O-CG 3.32Å; H248-L252 PolarHBondContact O-N 3.27Å; H248-V316 HydrophobicContact CB-CG1 4.42Å
249F88.5Confident86.4Confident21 Ų2142 Ų429%0.09221%0.206CC..Hα-helixtrans-63.7-40.1174.5-174-97.7000112.3L21 V36 S245 L247 L252 Y253 V316 L317L21-F249 HydrophobicContact CD2-CE1 4.28Å; L21-F249 HydrophobicContact CD2-CZ 4.37Å; V36-F249 HydrophobicContact CG1-CD1 4.26Å; V36-F249 HydrophobicContact CG1-CE1 3.91Å; S245-F249 WeakPolarHBondContact O-CB 3.49Å; S245-F249 PolarHBondContact O-N 3.49Å; L247-F249 PolarHBondContact O-N 2.99Å; F249-L252 PolarHBondContact O-N 2.85Å; F249-Y253 WeakPolarHBondContact O-CB 3.44Å; F249-Y253 PolarHBondContact O-N 3.45Å; F249-V316 HydrophobicContact CB-CG1 4.31Å; F249-L317 HydrophobicContact CD1-CD1 4.37Å; F249-L317 HydrophobicContact CD2-CB 4.13Å; F249-L317 HydrophobicContact CD2-CD1 4.22Å; F249-L317 HydrophobicContact CE1-CD1 4.18Å; F249-L317 HydrophobicContact CE2-CB 4.01Å; F249-L317 HydrophobicContact CE2-CD1 4.02Å; F249-L317 HydrophobicContact CE2-CD2 4.44Å; F249-L317 HydrophobicContact CE2-CG 4.38Å; F249-L317 HydrophobicContact CG-CD1 4.4Å; F249-L317 HydrophobicContact CZ-CD1 4Å; F249-L317 HydrophobicContact CZ-CD2 4.5Å
250L87.2Confident86.2Confident55 Ų5535.7 Ų35.729%0.28818%0.179SC..Hα-helixtrans-64.3-43.2177.5-162.3153.2000111.3L37 A246 L247 H248 Y253 T254L37-L250 HydrophobicContact CD2-CD1 4.15Å; A246-L250 WeakPolarHBondContact O-CB 3.11Å; A246-L250 PolarHBondContact O-N 3.4Å; L247-L250 PolarHBondContact O-N 2.94Å; H248-L250 PolarHBondContact O-N 2.99Å; L250-Y253 PolarHBondContact O-N 3.46Å; L250-T254 WeakPolarHBondContact O-CB 3.31Å; L250-T254 PolarHBondContact O-N 3.18Å; L250-T254 PolarHBondContact O-OG1 3.44Å
251V87.2Confident85.7Confident63 Ų6330.6 Ų30.638%0.38216%0.156SC..Hα-helixtrans-63-45.3174.8172.90000111.3L247 H248 Y253 T254 Y255 L277L247-V251 VanDerWaalsContact O-CG2 3.32Å; L247-V251 WeakPolarHBondContact O-CG2 3.18Å; L247-V251 PolarHBondContact O-N 3.1Å; H248-V251 PolarHBondContact O-N 2.88Å; V251-Y253 VanDerWaalsContact C-N 3.29Å; V251-Y253 PolarHBondContact O-N 2.78Å; V251-T254 PolarHBondContact O-N 3.45Å; V251-Y255 WeakPolarHBondContact O-CB 3.04Å; V251-Y255 PolarHBondContact O-N 3.31Å; V251-L277 HydrophobicContact CG1-CD2 3.77Å
252L85.9Confident85.1Confident11 Ų1135.4 Ų35.46%0.05818%0.178CC..Hα-helixtrans-59.9-39.4176-74.4170.9000112H248 F249 Q256 L277 P313H248-L252 WeakPolarHBondContact O-CB 3.41Å; H248-L252 VanDerWaalsContact O-CG 3.31Å; H248-L252 WeakPolarHBondContact O-CG 3.32Å; H248-L252 PolarHBondContact O-N 3.27Å; F249-L252 PolarHBondContact O-N 2.85Å; L252-Q256 WeakPolarHBondContact O-CG 3.2Å; L252-Q256 PolarHBondContact O-NE2 3.37Å; L252-L277 HydrophobicContact CD2-CD2 4.09Å; L252-P313 HydrophobicContact CD1-CB 4.42Å
253Y86.6Confident84.7Confident20 Ų2037.8 Ų37.88%0.07820%0.197CC..Hα-helixtrans-71.5-45.9178.1-173-94.2000112.4A24 S32 I33 V36 F249 L250 V251 Y255 Q256A24-Y253 VanDerWaalsContact C-OH 3.31Å; A24-Y253 HydrophobicContact CB-CE2 4.16Å; A24-Y253 WeakPolarHBondContact CB-OH 3.46Å; A24-Y253 PolarHBondContact O-OH 2.89Å; S32-Y253 WeakPolarHBondContact CB-OH 3.29Å; S32-Y253 PolarHBondContact OG-OH 2.83Å; I33-Y253 HydrophobicContact CG1-CD1 4.42Å; I33-Y253 HydrophobicContact CG1-CE1 4.15Å; V36-Y253 HydrophobicContact CG2-CD1 4.07Å; V36-Y253 HydrophobicContact CG2-CD2 4.13Å; V36-Y253 HydrophobicContact CG2-CE1 3.8Å; V36-Y253 HydrophobicContact CG2-CE2 3.86Å; V36-Y253 HydrophobicContact CG2-CG 4.23Å; F249-Y253 WeakPolarHBondContact O-CB 3.44Å; F249-Y253 PolarHBondContact O-N 3.45Å; L250-Y253 PolarHBondContact O-N 3.46Å; V251-Y253 VanDerWaalsContact C-N 3.29Å; V251-Y253 PolarHBondContact O-N 2.78Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 2.96Å; Y253-Q256 WeakPolarHBondContact O-CB 3.21Å; Y253-Q256 PolarHBondContact O-N 3.16Å
254T86.6Confident84.4Confident34 Ų3438.5 Ų38.521%0.20920%0.196CC..Hα-helixtrans-61.8-34.5178.2-60.50000111.8L250 V251 Q256 I257 V260L250-T254 WeakPolarHBondContact O-CB 3.31Å; L250-T254 PolarHBondContact O-N 3.18Å; L250-T254 PolarHBondContact O-OG1 3.44Å; V251-T254 PolarHBondContact O-N 3.45Å; T254-Q256 PolarHBondContact O-N 3.29Å; T254-I257 HydrophobicContact CG2-CD1 4.47Å; T254-I257 WeakPolarHBondContact O-CB 3.47Å; T254-I257 WeakPolarHBondContact O-CG1 3.43Å; T254-I257 PolarHBondContact O-N 3.26Å; T254-I257 VanDerWaalsContact O-N 3.12Å; T254-V260 HydrophobicContact CG2-CG2 4.09Å; T254-V260 WeakPolarHBondContact O-CB 3.35Å; T254-V260 WeakPolarHBondContact O-CG2 3.37Å
255Y87Confident83.8Confident8 Ų839.4 Ų39.43%0.03120%0.203CC..Hα-helixtrans-63.5-24.4174.8-167.5-111.6000113.4V251 Y253 I257 V260 H261 L265 P272 L277 V279V251-Y255 WeakPolarHBondContact O-CB 3.04Å; V251-Y255 PolarHBondContact O-N 3.31Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 2.96Å; Y255-I257 PolarHBondContact O-N 3.23Å; Y255-V260 HydrophobicContact CD2-CG1 4.3Å; Y255-H261 HydrophobicContact CD2-CB 4.44Å; Y255-H261 HydrophobicContact CE1-CB 4.42Å; Y255-H261 HydrophobicContact CE2-CB 3.95Å; Y255-H261 PolarHBondContact O-ND1 3.42Å; Y255-L265 HydrophobicContact CD2-CB 4.46Å; Y255-L265 HydrophobicContact CE2-CB 3.89Å; Y255-L265 WeakPolarHBondContact CE2-O 3.29Å; Y255-L265 PolarHBondContact OH-O 2.74Å; Y255-P272 HydrophobicContact CE2-CG 4.44Å; Y255-L277 HydrophobicContact CD1-CB 3.85Å; Y255-L277 HydrophobicContact CD2-CB 4.34Å; Y255-L277 HydrophobicContact CD2-CD1 4.26Å; Y255-L277 HydrophobicContact CE1-CB 3.91Å; Y255-L277 HydrophobicContact CE2-CB 4.42Å; Y255-L277 HydrophobicContact CG-CB 4.07Å; Y255-V279 HydrophobicContact CD1-CG2 4.32Å; Y255-V279 HydrophobicContact CE1-CG2 3.62Å
256Q85Confident83.3Confident19 Ų1942.7 Ų42.79%0.08922%0.224CC..THydrogen-bonded Turntrans-73.8-12.2175.8-52.1-51-45.700113.4P28 L252 Y253 T254 T278P28-Q256 HydrophobicContact CB-CB 4.36Å; L252-Q256 WeakPolarHBondContact O-CG 3.2Å; L252-Q256 PolarHBondContact O-NE2 3.37Å; Y253-Q256 WeakPolarHBondContact O-CB 3.21Å; Y253-Q256 PolarHBondContact O-N 3.16Å; T254-Q256 PolarHBondContact O-N 3.29Å; Q256-T278 PolarHBondContact NE2-O 3.03Å
257I83.8Confident82.4Confident0 Ų045.9 Ų45.90%024%0.242CC..SBendtrans-73.4128.4179.1-57.8175.7000108.6F30 I33 T254 Y255 I259 V260 H261F30-I257 HydrophobicContact CD1-CD1 4.32Å; F30-I257 HydrophobicContact CE1-CD1 4.33Å; F30-I257 HydrophobicContact CE2-CG2 4.4Å; I33-I257 HydrophobicContact CD1-CD1 3.82Å; I33-I257 HydrophobicContact CG1-CD1 4.26Å; T254-I257 HydrophobicContact CG2-CD1 4.47Å; T254-I257 WeakPolarHBondContact O-CB 3.47Å; T254-I257 WeakPolarHBondContact O-CG1 3.43Å; T254-I257 PolarHBondContact O-N 3.26Å; T254-I257 VanDerWaalsContact O-N 3.12Å; Y255-I257 PolarHBondContact O-N 3.23Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 3.94Å; I257-I259 PolarHBondContact O-N 3.13Å; I257-I259 VanDerWaalsContact O-N 3.1Å; I257-V260 HydrophobicContact CB-CG2 3.97Å; I257-V260 HydrophobicContact CG2-CG2 4.44Å; I257-V260 WeakPolarHBondContact O-CB 3.24Å; I257-V260 PolarHBondContact O-N 2.75Å; I257-H261 PolarHBondContact O-N 3.04Å; I257-H261 PolarHBondContact O-ND1 3.24Å
258P76.1Confident81.3Confident15 Ų1544.7 Ų44.710%0.09725%0.25CC..Hα-helixtrans-52.3-38.1-174.1-30.635.6000115.4V260 H261 H262 S283P258-V260 VanDerWaalsContact C-N 3.27Å; P258-V260 PolarHBondContact O-N 3.39Å; P258-H261 VanDerWaalsContact CA-CE1 3.44Å; P258-H261 WeakPolarHBondContact CA-CE1 3.32Å; P258-H262 WeakPolarHBondContact O-CB 3.39Å; P258-H262 PolarHBondContact O-N 3.32Å; P258-H262 VanDerWaalsContact O-N 3.15Å; P258-S283 WeakPolarHBondContact CG-OG 3.5Å
259I79Confident80.6Confident47 Ų4746 Ų4624%0.24126%0.26CS..Hα-helixtrans-66.5-31.3178.8-156.7164.3000111.8F30 I257 S263 W264F30-I259 HydrophobicContact CE2-CG2 3.87Å; F30-I259 HydrophobicContact CZ-CG2 3.86Å; I257-I259 VanDerWaalsContact C-N 3.27Å; I257-I259 HydrophobicContact CG2-CG2 3.94Å; I257-I259 PolarHBondContact O-N 3.13Å; I257-I259 VanDerWaalsContact O-N 3.1Å; I259-S263 WeakPolarHBondContact CG1-OG 3.45Å; I259-S263 PolarHBondContact O-N 3.18Å; I259-S263 PolarHBondContact O-OG 3.42Å; I259-W264 PolarHBondContact O-N 2.96Å
260V80.9Confident80.2Confident6 Ų649.9 Ų49.94%0.03628%0.277CS..Iπ-helixtrans-74.9-46.6-174.2-179.20000110.9T254 Y255 I257 P258 W264 L265T254-V260 HydrophobicContact CG2-CG2 4.09Å; T254-V260 WeakPolarHBondContact O-CB 3.35Å; T254-V260 WeakPolarHBondContact O-CG2 3.37Å; Y255-V260 HydrophobicContact CD2-CG1 4.3Å; I257-V260 HydrophobicContact CB-CG2 3.97Å; I257-V260 HydrophobicContact CG2-CG2 4.44Å; I257-V260 WeakPolarHBondContact O-CB 3.24Å; I257-V260 PolarHBondContact O-N 2.75Å; P258-V260 VanDerWaalsContact C-N 3.27Å; P258-V260 PolarHBondContact O-N 3.39Å; V260-W264 HydrophobicContact CB-CE3 4.44Å; V260-W264 HydrophobicContact CG1-CE3 4.32Å; V260-W264 HydrophobicContact CG2-CE3 3.87Å; V260-W264 HydrophobicContact CG2-CZ3 4.07Å; V260-W264 CarbonylContact O-C 3.36Å; V260-W264 WeakPolarHBondContact O-CB 3.5Å; V260-W264 PolarHBondContact O-N 3.15Å; V260-L265 PolarHBondContact O-N 3.28Å
261H79.6Confident80Confident7 Ų751.7 Ų51.73%0.03229%0.286CS..Iπ-helixtrans-85-18.4-179.664.7-102.9000114.1Y255 I257 P258 P266 V279Y255-H261 HydrophobicContact CD2-CB 4.44Å; Y255-H261 HydrophobicContact CE1-CB 4.42Å; Y255-H261 HydrophobicContact CE2-CB 3.95Å; Y255-H261 PolarHBondContact O-ND1 3.42Å; I257-H261 PolarHBondContact O-N 3.04Å; I257-H261 PolarHBondContact O-ND1 3.24Å; P258-H261 VanDerWaalsContact CA-CE1 3.44Å; P258-H261 WeakPolarHBondContact CA-CE1 3.32Å; H261-P266 WeakPolarHBondContact O-CA 3.36Å; H261-V279 HydrophobicContact CB-CG2 3.97Å
262H75.3Confident79.5Confident112 Ų11248.7 Ų48.752%0.51927%0.268SS..Iπ-helixtrans-88.5-40.9173.5-84.1-73000114.1P258 D282P258-H262 WeakPolarHBondContact O-CB 3.39Å; P258-H262 PolarHBondContact O-N 3.32Å; P258-H262 VanDerWaalsContact O-N 3.15Å; H262-D282 IonicContact NE2-OD1 2.8Å
263S78.1Confident79Confident77 Ų7751.9 Ų51.954%0.53828%0.279SS..Iπ-helixtrans-111.4-27.8-173.970.50000115.1I259I259-S263 WeakPolarHBondContact CG1-OG 3.45Å; I259-S263 PolarHBondContact O-N 3.18Å; I259-S263 PolarHBondContact O-OG 3.42Å
264W81.5Confident78.8Confident159 Ų15952.8 Ų52.860%0.60229%0.285SS*.Iπ-helixtrans-96.9-43-177.5-60.2-4.5000113.6F30 I259 V260F30-W264 HydrophobicContact CZ-CH2 4.37Å; I259-W264 PolarHBondContact O-N 2.96Å; V260-W264 HydrophobicContact CB-CE3 4.44Å; V260-W264 HydrophobicContact CG1-CE3 4.32Å; V260-W264 HydrophobicContact CG2-CE3 3.87Å; V260-W264 HydrophobicContact CG2-CZ3 4.07Å; V260-W264 CarbonylContact O-C 3.36Å; V260-W264 WeakPolarHBondContact O-CB 3.5Å; V260-W264 PolarHBondContact O-N 3.15Å
265L79.3Confident78.6Confident57 Ų5755.2 Ų55.230%0.29829%0.293SS..SBendtrans-141.379.8-173-78.9155.1000111.6Y255 V260 L271Y255-L265 HydrophobicContact CD2-CB 4.46Å; Y255-L265 HydrophobicContact CE2-CB 3.89Å; Y255-L265 WeakPolarHBondContact CE2-O 3.29Å; Y255-L265 PolarHBondContact OH-O 2.74Å; V260-L265 PolarHBondContact O-N 3.28Å; L265-L271 HydrophobicContact CD2-CB 4.42Å
266P76.1Confident78.1Confident69 Ų6955 Ų5545%0.44829%0.294SS..  trans-62.2143.1-176.322.7-31.6000113.6H261 G268 S269H261-P266 WeakPolarHBondContact O-CA 3.36Å; P266-G268 PolarHBondContact O-N 2.98Å; P266-G268 VanDerWaalsContact O-N 3.14Å; P266-S269 WeakPolarHBondContact O-CB 3.2Å; P266-S269 PolarHBondContact O-N 3.47Å; P266-S269 PolarHBondContact O-OG 3.46Å
267T67.8Low77.8Confident91 Ų9155.1 Ų55.156%0.55830%0.295SS*.THydrogen-bonded Turntrans-56.1-29.5-173.451.70000114.9V279T267-V279 HydrophobicContact CG2-CG2 3.62Å
268G67.3Low77.4Confident58 Ų5857.2 Ų57.260%0.59831%0.307SS*.THydrogen-bonded Turntrans-84.9-3.3179.500000115.7P266P266-G268 PolarHBondContact O-N 2.98Å; P266-G268 VanDerWaalsContact O-N 3.14Å
269S75Confident77.4Confident37 Ų3758 Ų5826%0.25931%0.312SS..SBendtrans-78.6155.6-17861.60000112.6P266 L271 P272P266-S269 WeakPolarHBondContact O-CB 3.2Å; P266-S269 PolarHBondContact O-N 3.47Å; P266-S269 PolarHBondContact O-OG 3.46Å; S269-L271 VanDerWaalsContact C-N 3.34Å; S269-L271 PolarHBondContact O-N 2.71Å; S269-P272 WeakPolarHBondContact O-CD 3.38Å; S269-P272 WeakPolarHBondContact OG-CD 3.17Å; S269-P272 WeakPolarHBondContact OG-CG 3.14Å
270F79.8Confident77.1Confident103 Ų10357.4 Ų57.445%0.45231%0.309SS..Hα-helixtrans-62-37-179.8171.1-106000113.1R273 L274F270-R273 PolarHBondContact O-N 2.98Å; F270-L274 HydrophobicContact CE1-CB 4.43Å; F270-L274 HydrophobicContact CE1-CD2 3.74Å; F270-L274 HydrophobicContact CZ-CB 4.32Å; F270-L274 HydrophobicContact CZ-CD1 4.16Å; F270-L274 HydrophobicContact CZ-CD2 3.87Å; F270-L274 HydrophobicContact CZ-CG 4.34Å; F270-L274 WeakPolarHBondContact O-CB 3.36Å; F270-L274 PolarHBondContact O-N 2.89Å
271L82.2Confident76.6Confident92 Ų9257.9 Ų57.948%0.48231%0.311SS..Hα-helixtrans-59.8-52.9-176.5-86.9163.2000113.1L265 S269 R273 L274 F275L265-L271 HydrophobicContact CD2-CB 4.42Å; S269-L271 VanDerWaalsContact C-N 3.34Å; S269-L271 PolarHBondContact O-N 2.71Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-R273 PolarHBondContact O-N 3.38Å; L271-L274 PolarHBondContact O-N 3.12Å; L271-F275 HydrophobicContact CD2-CD2 4.07Å; L271-F275 HydrophobicContact CD2-CE2 3.66Å; L271-F275 WeakPolarHBondContact O-CD2 3.47Å; L271-F275 PolarHBondContact O-N 3.5Å
272P76.4Confident76Confident1 Ų159.6 Ų59.61%0.00632%0.32CS..Hα-helixtrans-57.1-40.2174.2-27.334.3000114.2Y255 S269 G276 L277Y255-P272 HydrophobicContact CE2-CG 4.44Å; S269-P272 WeakPolarHBondContact O-CD 3.38Å; S269-P272 WeakPolarHBondContact OG-CD 3.17Å; S269-P272 WeakPolarHBondContact OG-CG 3.14Å; P272-G276 CarbonylContact O-C 3.45Å; P272-G276 PolarHBondContact O-N 2.93Å; P272-L277 HydrophobicContact CB-CB 4.17Å; P272-L277 PolarHBondContact O-N 3.39Å
273R75.4Confident75.5Confident77 Ų7754.7 Ų54.729%0.29130%0.299SS..Hα-helixtrans-66.8-46.8178.8-71.6-172.9-77.9143.63.4111.9F270 L271 F275 G276 E494F270-R273 PolarHBondContact O-N 2.98Å; L271-R273 VanDerWaalsContact C-N 3.34Å; L271-R273 PolarHBondContact O-N 3.38Å; R273-F275 PolarHBondContact O-N 3.42Å; R273-G276 PolarHBondContact O-N 2.76Å; R273-E494 IonicContact CZ-OE1 3.99Å; R273-E494 IonicContact NH1-OE1 3.1Å; R273-E494 PolarHBondContact NH1-OE1 3.16Å; R273-E494 IonicContact NH1-OE2 2.75Å; R273-E494 IonicContact NH2-OE1 3.49Å; R273-E494 PolarHBondContact NH2-OE1 2.83Å
274L82.6Confident74.8Confident39 Ų3953.1 Ų53.120%0.20429%0.288CS..Hα-helixtrans-60.8-45.8176.9-176.469.4000112.8L207 F270 L271 G276L207-L274 HydrophobicContact CB-CD1 4.41Å; L207-L274 HydrophobicContact CB-CG 4.2Å; L207-L274 VanDerWaalsContact CB-O 3.26Å; L207-L274 WeakPolarHBondContact CB-O 3.37Å; L207-L274 HydrophobicContact CD2-CD1 4.47Å; L207-L274 HydrophobicContact CD2-CD2 3.94Å; L207-L274 HydrophobicContact CD2-CG 3.97Å; L207-L274 PolarHBondContact N-O 3.42Å; F270-L274 HydrophobicContact CE1-CB 4.43Å; F270-L274 HydrophobicContact CE1-CD2 3.74Å; F270-L274 HydrophobicContact CZ-CB 4.32Å; F270-L274 HydrophobicContact CZ-CD1 4.16Å; F270-L274 HydrophobicContact CZ-CD2 3.87Å; F270-L274 HydrophobicContact CZ-CG 4.34Å; F270-L274 WeakPolarHBondContact O-CB 3.36Å; F270-L274 PolarHBondContact O-N 2.89Å; L271-L274 PolarHBondContact O-N 3.12Å; L274-G276 VanDerWaalsContact C-N 3.28Å; L274-G276 PolarHBondContact O-N 3.13Å
275F83.5Confident74.1Confident86 Ų8648 Ų4838%0.37728%0.276SS..Hα-helixtrans-79.3-6.9178.6-77.5-72.5000113.7L207 S208 L271 R273 L277L207-F275 HydrophobicContact CD2-CE1 4.08Å; L207-F275 HydrophobicContact CD2-CZ 4.35Å; S208-F275 PolarHBondContact OG-O 3.09Å; L271-F275 HydrophobicContact CD2-CD2 4.07Å; L271-F275 HydrophobicContact CD2-CE2 3.66Å; L271-F275 WeakPolarHBondContact O-CD2 3.47Å; L271-F275 PolarHBondContact O-N 3.5Å; R273-F275 PolarHBondContact O-N 3.42Å; F275-L277 VanDerWaalsContact C-N 3.34Å; F275-L277 HydrophobicContact CB-CD1 4.26Å; F275-L277 HydrophobicContact CB-CG 3.97Å
276G75.6Confident73.4Confident4 Ų450.1 Ų50.14%0.04129%0.293CS..THydrogen-bonded Turntrans70.425.3-178.100000114.3K204 P272 R273 L274 T278K204-G276 PolarHBondContact NZ-O 3.41Å; P272-G276 CarbonylContact O-C 3.45Å; P272-G276 PolarHBondContact O-N 2.93Å; R273-G276 PolarHBondContact O-N 2.76Å; L274-G276 VanDerWaalsContact C-N 3.28Å; L274-G276 PolarHBondContact O-N 3.13Å; G276-T278 PolarHBondContact O-N 3.3Å
277L79.6Confident72.9Confident20 Ų2051 Ų5111%0.10529%0.291CS..  trans-76.9115.3176.4-57.7175.4000109.7V251 L252 Y255 P272 F275V251-L277 HydrophobicContact CG1-CD2 3.77Å; L252-L277 HydrophobicContact CD2-CD2 4.09Å; Y255-L277 HydrophobicContact CD1-CB 3.85Å; Y255-L277 HydrophobicContact CD2-CB 4.34Å; Y255-L277 HydrophobicContact CD2-CD1 4.26Å; Y255-L277 HydrophobicContact CE1-CB 3.91Å; Y255-L277 HydrophobicContact CE2-CB 4.42Å; Y255-L277 HydrophobicContact CG-CB 4.07Å; P272-L277 HydrophobicContact CB-CB 4.17Å; P272-L277 PolarHBondContact O-N 3.39Å; F275-L277 VanDerWaalsContact C-N 3.34Å; F275-L277 HydrophobicContact CB-CD1 4.26Å; F275-L277 HydrophobicContact CB-CG 3.97Å
278T75Confident72.8Confident44 Ų4447.9 Ų47.927%0.2727%0.269SS..  trans-123.3140.1179.440.40000111.4K204 Q256 G276 L309K204-T278 PolarHBondContact NZ-OG1 2.86Å; Q256-T278 PolarHBondContact NE2-O 3.03Å; G276-T278 PolarHBondContact O-N 3.3Å; T278-L309 HydrophobicContact CG2-CD2 3.86Å
279V75Confident72.9Confident32 Ų3248.3 Ų48.319%0.19425%0.253CS..  trans-77125.8174.9-177.50000108.6Y255 H261 T267 V294Y255-V279 HydrophobicContact CD1-CG2 4.32Å; Y255-V279 HydrophobicContact CE1-CG2 3.62Å; H261-V279 HydrophobicContact CB-CG2 3.97Å; T267-V279 HydrophobicContact CG2-CG2 3.62Å; V279-V294 HydrophobicContact CG1-CG2 4.14Å
280L73.7Confident72.5Confident35 Ų3549.9 Ų49.918%0.18326%0.255CS..  trans-104.5-32.4-179.4-63.7164000111.7F293 V294 Y310 P313L280-F293 WeakPolarHBondContact O-CA 3.23Å; L280-V294 PolarHBondContact O-N 2.83Å; L280-V294 VanDerWaalsContact O-N 3.14Å; L280-Y310 HydrophobicContact CD2-CD1 3.78Å; L280-Y310 HydrophobicContact CD2-CE1 4.14Å; L280-P313 HydrophobicContact CD1-CG 3.97Å
281M70.4Confident71.7Confident15 Ų1548.1 Ų48.17%0.07425%0.247CC..BIsolated β-bridgetrans-131.7128.6177.7-68.917778.600109.6F291 F293M281-F291 HydrophobicContact CE-CD1 3.7Å; M281-F291 HydrophobicContact CE-CE1 3.42Å; M281-F291 VanDerWaalsContact CE-CE1 3.42Å; M281-F291 HydrophobicContact CE-CZ 4.04Å; M281-F293 HydrophobicContact CG-CD1 4.06Å; M281-F293 HydrophobicContact CG-CE1 4.14Å; M281-F293 HydrophobicContact SD-CE1 4.42Å
282D66.8Low70.7Confident43 Ų4346 Ų4623%0.2324%0.239CC..  trans-107.2145.3170.8-171.54000109.3H262 S284 P292 V294H262-D282 IonicContact NE2-OD1 2.8Å; D282-S284 VanDerWaalsContact CG-OG 3.27Å; D282-S284 WeakPolarHBondContact OD1-CB 3.43Å; D282-S284 PolarHBondContact OD1-N 3.31Å; D282-S284 PolarHBondContact OD1-OG 3.01Å; D282-S284 PolarHBondContact OD2-OG 3.37Å; D282-P292 VanDerWaalsContact O-CG 3.28Å; D282-P292 WeakPolarHBondContact O-CG 3.48Å; D282-V294 HydrophobicContact CB-CG2 3.6Å
283S64.4Low70.1Confident10 Ų1051.3 Ų51.37%0.0726%0.262CS..  trans-135.433.6174.969.30000112R104 P258R104-S283 PolarHBondContact NH1-O 3.3Å; P258-S283 WeakPolarHBondContact CG-OG 3.5Å
284S63.2Low69.1Low44 Ų4450.3 Ų50.331%0.30826%0.264SS..  trans-63.5152.2174.954.30000112.6D282D282-S284 VanDerWaalsContact CG-OG 3.27Å; D282-S284 WeakPolarHBondContact OD1-CB 3.43Å; D282-S284 PolarHBondContact OD1-N 3.31Å; D282-S284 PolarHBondContact OD1-OG 3.01Å; D282-S284 PolarHBondContact OD2-OG 3.37Å
285C67.7Low67.4Low51 Ų5152.2 Ų52.235%0.34529%0.286SS..SBendtrans-74142.1173.4-78.30000109.1C95C95-C285 HydrophobicContact CB-CB 3.86Å; C95-C285 WeakPolarHBondContact CB-SG 3.33Å; C95-C285 WeakPolarHBondContact SG-CB 3.19Å; C95-C285 CovalentContact SG-SG 2.05Å; C95-C285 PolarHBondContact SG-SG 3.47Å
286P63.5Low65.7Low101 Ų10151.3 Ų51.366%0.65629%0.289SS*.SBendcis-88.8-18.819.731.5-33.7000116.2W288 W289P286-W288 PolarHBondContact O-N 3.33Å; P286-W289 WeakPolarHBondContact O-CH2 3.48Å; P286-W289 WeakPolarHBondContact O-CZ3 3.25Å
287E66.3Low64.2Low89 Ų8958.9 Ų58.942%0.41633%0.328SS..  trans-95.239.9-167.6-51.9-160.4143.800114.7W289 K290E287-W289 PolarHBondContact O-N 3.49Å; E287-K290 HydrophobicContact CB-CB 4.42Å; E287-K290 HydrophobicContact CB-CD 4.25Å; E287-K290 HydrophobicContact CB-CG 4.22Å; E287-K290 PolarHBondContact O-N 2.86Å; E287-K290 WeakPolarHBondContact OE1-CE 3.44Å; E287-K290 IonicContact OE1-NZ 2.65Å; E287-K290 PolarHBondContact OE1-NZ 3.4Å; E287-K290 VanDerWaalsContact OE2-CD 3.28Å; E287-K290 WeakPolarHBondContact OE2-CD 3.36Å; E287-K290 WeakPolarHBondContact OE2-CE 3.26Å; E287-K290 IonicContact OE2-NZ 3.32Å; E287-K290 PolarHBondContact OE2-NZ 3.25Å
288W66.1Low62.7Low25 Ų2565.4 Ų65.410%0.09536%0.356CS..THydrogen-bonded Turntrans-61.8-18.6-17262.2-91.2000115.2I94 V109 R110 H112 P286I94-W288 HydrophobicContact CD1-CZ2 3.87Å; V109-W288 HydrophobicContact CG1-CE3 4Å; V109-W288 HydrophobicContact CG1-CZ3 3.62Å; R110-W288 HydrophobicContact CB-CH2 4.38Å; R110-W288 VanDerWaalsContact O-CH2 3.25Å; R110-W288 WeakPolarHBondContact O-CH2 3.43Å; R110-W288 WeakPolarHBondContact O-CZ3 3.43Å; H112-W288 HydrophobicContact CB-CH2 4.23Å; H112-W288 AromaticContact CD2-CZ2 3.94Å; P286-W288 PolarHBondContact O-N 3.33Å
289W67.9Low61.5Low67 Ų6769.6 Ų69.625%0.25438%0.377SS..THydrogen-bonded Turntrans-89.6-14.9178.164.185.7000113.8H112 P286 E287H112-W289 HydrophobicContact CB-CB 4.17Å; H112-W289 HydrophobicContact CB-CG 4.45Å; H112-W289 AromaticContact CD2-CE3 3.86Å; H112-W289 AromaticContact NE2-CE3 3.9Å; P286-W289 WeakPolarHBondContact O-CH2 3.48Å; P286-W289 WeakPolarHBondContact O-CZ3 3.25Å; E287-W289 PolarHBondContact O-N 3.49Å
290K66.9Low60.5Low69 Ų6975 Ų7530%0.340%0.404SS..SBendtrans-74.4165.4177.6-68.6-162.2-168.7161.80110.7R121 E287 P292R121-K290 PolarHBondContact NH1-O 2.79Å; E287-K290 HydrophobicContact CB-CB 4.42Å; E287-K290 HydrophobicContact CB-CD 4.25Å; E287-K290 HydrophobicContact CB-CG 4.22Å; E287-K290 PolarHBondContact O-N 2.86Å; E287-K290 WeakPolarHBondContact OE1-CE 3.44Å; E287-K290 IonicContact OE1-NZ 2.65Å; E287-K290 PolarHBondContact OE1-NZ 3.4Å; E287-K290 VanDerWaalsContact OE2-CD 3.28Å; E287-K290 WeakPolarHBondContact OE2-CD 3.36Å; E287-K290 WeakPolarHBondContact OE2-CE 3.26Å; E287-K290 IonicContact OE2-NZ 3.32Å; E287-K290 PolarHBondContact OE2-NZ 3.25Å; K290-P292 WeakPolarHBondContact O-CD 3.4Å
291F64.3Low59.5Low66 Ų6679 Ų7929%0.28943%0.426SS..  trans-104.355.4176-133-83.5000111.9I26 R121 M281 F293I26-F291 HydrophobicContact CB-CZ 4.19Å; I26-F291 HydrophobicContact CG1-CZ 4.26Å; I26-F291 HydrophobicContact CG2-CE2 3.9Å; I26-F291 HydrophobicContact CG2-CZ 3.93Å; R121-F291 HydrophobicContact CB-CD2 4.22Å; R121-F291 HydrophobicContact CB-CE2 4.07Å; R121-F291 HydrophobicContact CG-CD2 4.2Å; R121-F291 HydrophobicContact CG-CE2 3.85Å; M281-F291 HydrophobicContact CE-CD1 3.7Å; M281-F291 HydrophobicContact CE-CE1 3.42Å; M281-F291 VanDerWaalsContact CE-CE1 3.42Å; M281-F291 HydrophobicContact CE-CZ 4.04Å; F291-F293 HydrophobicContact CD1-CE2 4.42Å; F291-F293 PolarHBondContact O-N 3.44Å; F291-F293 VanDerWaalsContact O-N 3.1Å
292P59.4Low58.7Low48 Ų4881 Ų8131%0.31244%0.437SS..  trans-77.8107.3-175.233.2-33000109.6D282 K290 V294D282-P292 VanDerWaalsContact O-CG 3.28Å; D282-P292 WeakPolarHBondContact O-CG 3.48Å; K290-P292 WeakPolarHBondContact O-CD 3.4Å; P292-V294 PolarHBondContact O-N 2.79Å
293F63.7Low58Low113 Ų11384.5 Ų84.550%0.49646%0.455SS..BIsolated β-bridgetrans-60.5127.9148.7-70.5-78.1000106.2L280 M281 F291 A295L280-F293 WeakPolarHBondContact O-CA 3.23Å; M281-F293 HydrophobicContact CG-CD1 4.06Å; M281-F293 HydrophobicContact CG-CE1 4.14Å; M281-F293 HydrophobicContact SD-CE1 4.42Å; F291-F293 HydrophobicContact CD1-CE2 4.42Å; F291-F293 PolarHBondContact O-N 3.44Å; F291-F293 VanDerWaalsContact O-N 3.1Å; F293-A295 PolarHBondContact O-N 2.88Å
294V54.9Low57.7Low55 Ų5590.2 Ų90.233%0.33348%0.484SS..  trans-60.5104.1-176.7-179.70000108.3V279 L280 D282 P292V279-V294 HydrophobicContact CG1-CG2 4.14Å; L280-V294 PolarHBondContact O-N 2.83Å; L280-V294 VanDerWaalsContact O-N 3.14Å; D282-V294 HydrophobicContact CB-CG2 3.6Å; P292-V294 PolarHBondContact O-N 2.79Å
295A47.5Very low57.5Low79 Ų7991.7 Ų91.765%0.65349%0.487SS*.  trans-100.5106.9170.600000106.7F293 D297F293-A295 PolarHBondContact O-N 2.88Å; A295-D297 PolarHBondContact O-N 3.18Å
296P46.7Very low57.4Low68 Ų6893 Ų9344%0.44249%0.486SS..  trans-80.9105.517530-27.9000109F298P296-F298 VanDerWaalsContact C-N 3.27Å; P296-F298 WeakPolarHBondContact O-CD2 3.48Å; P296-F298 PolarHBondContact O-N 3.49Å
297D46Very low58Low163 Ų16393.1 Ų93.187%0.87247%0.474SS*.SBendtrans34.517.5150.2-68.9-18.4000122.4A295A295-D297 PolarHBondContact O-N 3.18Å
298F47.8Very low58.5Low156 Ų15688.9 Ų88.968%0.68445%0.454SS*.  trans-134.8146.9-169.8-75.4-91.1000114P296P296-F298 VanDerWaalsContact C-N 3.27Å; P296-F298 WeakPolarHBondContact O-CD2 3.48Å; P296-F298 PolarHBondContact O-N 3.49Å
299N50.2Low59Low132 Ų13289.6 Ų89.671%0.70646%0.46SS*.  trans-40.8149.7-173.5-78.1-17.9000115.5D301 D302N299-D301 PolarHBondContact O-N 3.43Å; N299-D302 WeakPolarHBondContact O-CB 3.31Å; N299-D302 PolarHBondContact O-N 2.98Å
300D52.6Low59.4Low145 Ų14590.6 Ų90.678%0.77546%0.464SS*.G310 helixtrans-51.5-25.8-178.8-78.4-33.5000114.6D302 L303D300-D302 VanDerWaalsContact C-N 3.3Å; D300-D302 PolarHBondContact O-N 3.4Å; D300-L303 WeakPolarHBondContact O-CB 3.31Å; D300-L303 PolarHBondContact O-N 3.04Å
301D53.7Low60.1Low121 Ų12188.1 Ų88.165%0.64746%0.457SS*.G310 helixtrans-67.5-27.3177.3-64.7-29.4000113.2N299 L303N299-D301 PolarHBondContact O-N 3.43Å; D301-L303 VanDerWaalsContact C-N 3.32Å; D301-L303 PolarHBondContact O-N 3.49Å
302D53.8Low61.1Low55 Ų5585.1 Ų85.129%0.29444%0.443SS..G310 helixtrans-78.2-15.6180-79.9-17000113N299 D300 I304 M305 K306N299-D302 WeakPolarHBondContact O-CB 3.31Å; N299-D302 PolarHBondContact O-N 2.98Å; D300-D302 VanDerWaalsContact C-N 3.3Å; D300-D302 PolarHBondContact O-N 3.4Å; D302-I304 VanDerWaalsContact C-N 3.28Å; D302-I304 PolarHBondContact O-N 2.84Å; D302-M305 WeakPolarHBondContact O-CB 3.3Å; D302-M305 PolarHBondContact O-N 3.36Å; D302-K306 PolarHBondContact O-N 3.08Å
303L52.3Low62.2Low118 Ų11883.9 Ų83.962%0.61844%0.435SS*.G310 helixtrans-65.2-35.2179-151.693.3000111.3D300 D301 M305D300-L303 WeakPolarHBondContact O-CB 3.31Å; D300-L303 PolarHBondContact O-N 3.04Å; D301-L303 VanDerWaalsContact C-N 3.32Å; D301-L303 PolarHBondContact O-N 3.49Å; L303-M305 VanDerWaalsContact C-N 3.26Å; L303-M305 PolarHBondContact O-N 2.85Å
304I57.4Low63.2Low129 Ų12983.6 Ų83.666%0.66244%0.438SS*.THydrogen-bonded Turntrans-70.7-25.4174.1-57.3174.4000110.5D302 W307D302-I304 VanDerWaalsContact C-N 3.28Å; D302-I304 PolarHBondContact O-N 2.84Å; I304-W307 VanDerWaalsContact O-CD1 3.22Å
305M58.3Low64.7Low76 Ų7681.6 Ų81.637%0.37443%0.426SS..THydrogen-bonded Turntrans-82.3-11.5-177.9-57.9-152.6-16900114.1D302 L303 L511 V513D302-M305 WeakPolarHBondContact O-CB 3.3Å; D302-M305 PolarHBondContact O-N 3.36Å; L303-M305 VanDerWaalsContact C-N 3.26Å; L303-M305 PolarHBondContact O-N 2.85Å; M305-L511 HydrophobicContact CB-CD2 4.26Å; M305-L511 HydrophobicContact CG-CD2 4.47Å; M305-L511 HydrophobicContact SD-CD2 3.45Å; M305-L511 WeakPolarHBondContact SD-CD2 3.34Å; M305-V513 WeakPolarHBondContact O-CG2 3.42Å
306K66.4Low66.6Low78 Ų7877.9 Ų77.934%0.33940%0.395SS..SBendtrans-118.94.5-175.2-74.7179-174.9166.80115.6D302 P308 L309D302-K306 PolarHBondContact O-N 3.08Å; K306-P308 VanDerWaalsContact C-N 3.31Å; K306-P308 WeakPolarHBondContact O-CD 3.5Å; K306-P308 VanDerWaalsContact O-N 3.13Å; K306-L309 HydrophobicContact CB-CD1 3.78Å; K306-L309 HydrophobicContact CD-CD1 4.41Å; K306-L309 HydrophobicContact CG-CD1 3.95Å; K306-L309 WeakPolarHBondContact O-CB 3.48Å; K306-L309 WeakPolarHBondContact O-CD1 3.36Å; K306-L309 PolarHBondContact O-N 3.32Å; K306-L309 VanDerWaalsContact O-N 3.14Å
307W75.5Confident68.5Low103 Ų10376.1 Ų76.139%0.3938%0.382SS..Hα-helixtrans-52-31.8178.178-98000116.7I304 L309 Y310 A311I304-W307 VanDerWaalsContact O-CD1 3.22Å; W307-L309 PolarHBondContact O-N 3.48Å; W307-L309 VanDerWaalsContact O-N 3.12Å; W307-Y310 PolarHBondContact O-N 2.96Å; W307-Y310 VanDerWaalsContact O-N 3.14Å; W307-A311 HydrophobicContact CE3-CB 3.77Å; W307-A311 HydrophobicContact CZ3-CB 3.76Å; W307-A311 PolarHBondContact O-N 3.01Å; W307-A311 VanDerWaalsContact O-N 3.13Å
308P76.8Confident70.4Confident1 Ų171.2 Ų71.21%0.00636%0.358CS..Hα-helixtrans-61.9-23.8-179.2-22.434.1000113.2V203 K306 N312 P512 V513 V516V203-P308 HydrophobicContact CG1-CB 4.45Å; V203-P308 VanDerWaalsContact O-CB 3.28Å; V203-P308 WeakPolarHBondContact O-CB 3.44Å; K306-P308 VanDerWaalsContact C-N 3.31Å; K306-P308 WeakPolarHBondContact O-CD 3.5Å; K306-P308 VanDerWaalsContact O-N 3.13Å; P308-N312 PolarHBondContact O-N 3.16Å; P308-P512 HydrophobicContact CG-CB 4.43Å; P308-V513 HydrophobicContact CG-CG2 3.65Å; P308-V516 HydrophobicContact CB-CG2 4.39Å; P308-V516 HydrophobicContact CG-CG2 4.36Å
309L75.8Confident72.3Confident40 Ų4063.8 Ų63.821%0.20933%0.325CS..Hα-helixtrans-66.7-42.1176.9-69148.8000112.1K204 T278 K306 W307 P512K204-L309 HydrophobicContact CD-CD2 4.44Å; T278-L309 HydrophobicContact CG2-CD2 3.86Å; K306-L309 HydrophobicContact CB-CD1 3.78Å; K306-L309 HydrophobicContact CD-CD1 4.41Å; K306-L309 HydrophobicContact CG-CD1 3.95Å; K306-L309 WeakPolarHBondContact O-CB 3.48Å; K306-L309 WeakPolarHBondContact O-CD1 3.36Å; K306-L309 PolarHBondContact O-N 3.32Å; K306-L309 VanDerWaalsContact O-N 3.14Å; W307-L309 PolarHBondContact O-N 3.48Å; W307-L309 VanDerWaalsContact O-N 3.12Å; L309-P512 HydrophobicContact CD1-CG 4.38Å
310Y77Confident74.2Confident88 Ų8857.9 Ų57.935%0.34529%0.293SS..Hα-helixtrans-76.7-32.5177.4-59.8-76.4000112.3L280 W307 P313L280-Y310 HydrophobicContact CD2-CD1 3.78Å; L280-Y310 HydrophobicContact CD2-CE1 4.14Å; W307-Y310 PolarHBondContact O-N 2.96Å; W307-Y310 VanDerWaalsContact O-N 3.14Å; Y310-P313 WeakPolarHBondContact O-CD 3.39Å; Y310-P313 WeakPolarHBondContact O-CG 3.28Å
311A81.4Confident75.7Confident17 Ų1754 Ų5414%0.1427%0.268CS..Hα-helixtrans-70.9-33.2-179.200000113.2W307 I314 V315W307-A311 HydrophobicContact CE3-CB 3.77Å; W307-A311 HydrophobicContact CZ3-CB 3.76Å; W307-A311 PolarHBondContact O-N 3.01Å; W307-A311 VanDerWaalsContact O-N 3.13Å; A311-I314 WeakPolarHBondContact O-CB 3.43Å; A311-I314 PolarHBondContact O-N 3.15Å; A311-I314 VanDerWaalsContact O-N 3.09Å; A311-V315 HydrophobicContact CB-CG2 4.46Å; A311-V315 VanDerWaalsContact O-CG2 3.31Å; A311-V315 WeakPolarHBondContact O-CG2 3.33Å; A311-V315 PolarHBondContact O-N 3.09Å
312N85.4Confident77Confident2 Ų251.6 Ų51.61%0.01125%0.254CS..Hα-helixtrans-49.5-55.6-175.8-171.539.9000114.5V203 K204 N209 P308 I314 V315 V316V203-N312 HydrophobicContact CG1-CB 4.25Å; K204-N312 HydrophobicContact CB-CB 4.48Å; N209-N312 PolarHBondContact ND2-OD1 2.85Å; N209-N312 VanDerWaalsContact ND2-OD1 3.16Å; P308-N312 PolarHBondContact O-N 3.16Å; N312-I314 VanDerWaalsContact C-N 3.27Å; N312-I314 PolarHBondContact O-N 3.42Å; N312-V315 PolarHBondContact O-N 3.18Å; N312-V316 WeakPolarHBondContact O-CG2 3.39Å; N312-V316 PolarHBondContact O-N 2.81Å
313P82.6Confident78.5Confident22 Ų2249 Ų4914%0.14324%0.24CC..Hα-helixtrans-62.5-31.7179.224.5-35.4000113.5L252 L280 Y310 L317L252-P313 HydrophobicContact CD1-CB 4.42Å; L280-P313 HydrophobicContact CD1-CG 3.97Å; Y310-P313 WeakPolarHBondContact O-CD 3.39Å; Y310-P313 WeakPolarHBondContact O-CG 3.28Å; P313-L317 WeakPolarHBondContact O-CB 3.43Å; P313-L317 PolarHBondContact O-N 3.42Å; P313-L317 VanDerWaalsContact O-N 3.16Å
314I84.9Confident80Confident107 Ų10743.8 Ų43.855%0.54921%0.214SC..Hα-helixtrans-72-45.4178.2-59.9172.3000110.2A311 N312 V316 L317 V318A311-I314 WeakPolarHBondContact O-CB 3.43Å; A311-I314 PolarHBondContact O-N 3.15Å; A311-I314 VanDerWaalsContact O-N 3.09Å; N312-I314 VanDerWaalsContact C-N 3.27Å; N312-I314 PolarHBondContact O-N 3.42Å; I314-V316 VanDerWaalsContact C-N 3.34Å; I314-V316 PolarHBondContact O-N 2.61Å; I314-L317 PolarHBondContact O-N 3.01Å; I314-V318 HydrophobicContact CG2-CG2 4.42Å; I314-V318 WeakPolarHBondContact O-CG2 3.33Å; I314-V318 PolarHBondContact O-N 3.3Å
315V86.3Confident80.9Confident14 Ų1439.4 Ų39.49%0.08520%0.197CC..Hα-helixtrans-63.5-40.8179.8172.20000110.9F196 Y199 V200 A311 N312 V318 F319F196-V315 HydrophobicContact CE1-CG1 4.16Å; F196-V315 HydrophobicContact CZ-CG1 4.4Å; Y199-V315 HydrophobicContact CD1-CG1 3.9Å; Y199-V315 HydrophobicContact CD1-CG2 4.47Å; Y199-V315 HydrophobicContact CE1-CG1 4.01Å; Y199-V315 HydrophobicContact CE1-CG2 3.75Å; V200-V315 HydrophobicContact CB-CG1 4.27Å; V200-V315 HydrophobicContact CG2-CG1 3.58Å; A311-V315 HydrophobicContact CB-CG2 4.46Å; A311-V315 VanDerWaalsContact O-CG2 3.31Å; A311-V315 WeakPolarHBondContact O-CG2 3.33Å; A311-V315 PolarHBondContact O-N 3.09Å; N312-V315 PolarHBondContact O-N 3.18Å; V315-V318 PolarHBondContact O-N 3.42Å; V315-F319 VanDerWaalsContact O-CB 3.28Å; V315-F319 WeakPolarHBondContact O-CB 3.36Å; V315-F319 PolarHBondContact O-N 3.35Å
316V88.2Confident81.8Confident0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-63.3-41.6174.2174.80000111.5V200 H248 F249 N312 I314 F319 F320V200-V316 HydrophobicContact CG1-CG2 4.34Å; H248-V316 HydrophobicContact CB-CG1 4.42Å; F249-V316 HydrophobicContact CB-CG1 4.31Å; N312-V316 WeakPolarHBondContact O-CG2 3.39Å; N312-V316 PolarHBondContact O-N 2.81Å; I314-V316 VanDerWaalsContact C-N 3.34Å; I314-V316 PolarHBondContact O-N 2.61Å; V316-F319 PolarHBondContact O-N 3.33Å; V316-F320 PolarHBondContact O-N 3.37Å
317L86.3Confident82.5Confident32 Ų3235.6 Ų35.617%0.16818%0.177CC..Hα-helixtrans-65.2-46.4177.1-174.371.7000112L21 F249 P313 I314 F319 F320 Y321L21-L317 HydrophobicContact CD1-CD1 4.44Å; L21-L317 HydrophobicContact CD1-CD2 4Å; F249-L317 HydrophobicContact CD1-CD1 4.37Å; F249-L317 HydrophobicContact CD2-CB 4.13Å; F249-L317 HydrophobicContact CD2-CD1 4.22Å; F249-L317 HydrophobicContact CE1-CD1 4.18Å; F249-L317 HydrophobicContact CE2-CB 4.01Å; F249-L317 HydrophobicContact CE2-CD1 4.02Å; F249-L317 HydrophobicContact CE2-CD2 4.44Å; F249-L317 HydrophobicContact CE2-CG 4.38Å; F249-L317 HydrophobicContact CG-CD1 4.4Å; F249-L317 HydrophobicContact CZ-CD1 4Å; F249-L317 HydrophobicContact CZ-CD2 4.5Å; P313-L317 WeakPolarHBondContact O-CB 3.43Å; P313-L317 PolarHBondContact O-N 3.42Å; P313-L317 VanDerWaalsContact O-N 3.16Å; I314-L317 PolarHBondContact O-N 3.01Å; L317-F319 VanDerWaalsContact C-N 3.29Å; L317-F319 PolarHBondContact O-N 2.95Å; L317-F320 WeakPolarHBondContact O-CB 3.43Å; L317-F320 PolarHBondContact O-N 3.46Å; L317-F320 VanDerWaalsContact O-N 3.17Å; L317-Y321 HydrophobicContact CD1-CD2 4.26Å; L317-Y321 HydrophobicContact CD1-CE2 3.82Å; L317-Y321 HydrophobicContact CG-CD2 4.11Å; L317-Y321 HydrophobicContact CG-CE2 3.99Å; L317-Y321 WeakPolarHBondContact O-CD2 3.46Å; L317-Y321 PolarHBondContact O-N 2.87Å
318V85Confident82.4Confident60 Ų6032.8 Ų32.836%0.36417%0.168SC..Hα-helixtrans-61.8-41.3176.9171.80000110.4F196 I314 V315 F320 Y321 L322F196-V318 HydrophobicContact CE1-CB 4.39Å; F196-V318 HydrophobicContact CE1-CG1 4.02Å; F196-V318 HydrophobicContact CZ-CB 4.31Å; F196-V318 HydrophobicContact CZ-CG1 3.75Å; I314-V318 HydrophobicContact CG2-CG2 4.42Å; I314-V318 WeakPolarHBondContact O-CG2 3.33Å; I314-V318 PolarHBondContact O-N 3.3Å; V315-V318 PolarHBondContact O-N 3.42Å; V318-F320 VanDerWaalsContact C-N 3.34Å; V318-F320 PolarHBondContact O-N 3.48Å; V318-Y321 PolarHBondContact O-N 3.46Å; V318-L322 HydrophobicContact CG1-CD1 3.79Å; V318-L322 HydrophobicContact CG1-CG 4.23Å; V318-L322 WeakPolarHBondContact O-CB 3.47Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 2.98Å
319F88.5Confident82Confident0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-60.4-41.4174.5-179-111.3000112.1L193 F196 T197 V200 Y212 L241 V315 V316 L317 L322 T323L193-F319 HydrophobicContact CD1-CD2 4.33Å; L193-F319 HydrophobicContact CD1-CE2 3.94Å; F196-F319 HydrophobicContact CD1-CB 4.12Å; F196-F319 AromaticContact CD1-CD2 3.93Å; F196-F319 HydrophobicContact CD1-CD2 3.93Å; F196-F319 HydrophobicContact CD1-CG 4.49Å; F196-F319 HydrophobicContact CE1-CB 4.05Å; T197-F319 HydrophobicContact CG2-CE2 3.6Å; T197-F319 HydrophobicContact CG2-CZ 3.59Å; V200-F319 HydrophobicContact CG2-CB 4Å; V200-F319 HydrophobicContact CG2-CD2 4.19Å; V200-F319 HydrophobicContact CG2-CG 4.05Å; Y212-F319 HydrophobicContact CD1-CE1 4.14Å; Y212-F319 HydrophobicContact CE1-CD1 4.28Å; Y212-F319 AromaticContact CE1-CE1 3.82Å; Y212-F319 HydrophobicContact CE1-CE1 3.82Å; L241-F319 HydrophobicContact CB-CE1 4.14Å; L241-F319 HydrophobicContact CB-CZ 4.24Å; L241-F319 HydrophobicContact CD1-CZ 4.2Å; L241-F319 HydrophobicContact CD2-CE1 4.48Å; V315-F319 VanDerWaalsContact O-CB 3.28Å; V315-F319 WeakPolarHBondContact O-CB 3.36Å; V315-F319 PolarHBondContact O-N 3.35Å; V316-F319 PolarHBondContact O-N 3.33Å; L317-F319 VanDerWaalsContact C-N 3.29Å; L317-F319 PolarHBondContact O-N 2.95Å; F319-L322 PolarHBondContact O-N 3.23Å; F319-T323 HydrophobicContact CD1-CG2 4.24Å; F319-T323 HydrophobicContact CD2-CG2 3.9Å; F319-T323 HydrophobicContact CE1-CG2 3.88Å; F319-T323 HydrophobicContact CE2-CG2 3.52Å; F319-T323 HydrophobicContact CG-CG2 4.27Å; F319-T323 HydrophobicContact CZ-CG2 3.51Å; F319-T323 WeakPolarHBondContact O-CB 3.41Å; F319-T323 VanDerWaalsContact O-CG2 3.25Å; F319-T323 WeakPolarHBondContact O-CG2 3.1Å; F319-T323 PolarHBondContact O-N 3.03Å; F319-T323 PolarHBondContact O-OG1 3.36Å
320F88.9Confident81.6Confident8 Ų837.5 Ų37.54%0.03519%0.189CC..Hα-helixtrans-59.5-50173.2171.9-98.3000112L40 A43 I242 A246 V316 L317 V318 L322 T323 V324L40-F320 HydrophobicContact CD2-CD1 3.9Å; L40-F320 HydrophobicContact CD2-CE1 3.55Å; L40-F320 HydrophobicContact CD2-CZ 3.95Å; A43-F320 HydrophobicContact CB-CE1 4Å; I242-F320 HydrophobicContact CG2-CD2 4.24Å; I242-F320 HydrophobicContact CG2-CE2 3.87Å; A246-F320 HydrophobicContact CB-CD2 4.08Å; A246-F320 HydrophobicContact CB-CE2 3.83Å; V316-F320 PolarHBondContact O-N 3.37Å; L317-F320 WeakPolarHBondContact O-CB 3.43Å; L317-F320 PolarHBondContact O-N 3.46Å; L317-F320 VanDerWaalsContact O-N 3.17Å; V318-F320 VanDerWaalsContact C-N 3.34Å; V318-F320 PolarHBondContact O-N 3.48Å; F320-L322 PolarHBondContact O-N 3.42Å; F320-T323 WeakPolarHBondContact CA-OG1 3.11Å; F320-T323 PolarHBondContact O-N 2.91Å; F320-T323 PolarHBondContact O-OG1 3.03Å; F320-V324 HydrophobicContact CD2-CG2 4.18Å; F320-V324 HydrophobicContact CE1-CG2 4.29Å; F320-V324 HydrophobicContact CE2-CG2 3.86Å; F320-V324 HydrophobicContact CZ-CG2 3.93Å; F320-V324 WeakPolarHBondContact O-CB 3.49Å; F320-V324 WeakPolarHBondContact O-CG2 3.35Å; F320-V324 PolarHBondContact O-N 3.45Å
321Y84.5Confident81.1Confident64 Ų6440.4 Ų40.425%0.25120%0.2SC..Hα-helixtrans-64.4-40.1179-82-83.4000112.8A43 L317 V318 A325A43-Y321 HydrophobicContact CB-CD1 3.94Å; A43-Y321 HydrophobicContact CB-CE1 3.58Å; L317-Y321 HydrophobicContact CD1-CD2 4.26Å; L317-Y321 HydrophobicContact CD1-CE2 3.82Å; L317-Y321 HydrophobicContact CG-CD2 4.11Å; L317-Y321 HydrophobicContact CG-CE2 3.99Å; L317-Y321 WeakPolarHBondContact O-CD2 3.46Å; L317-Y321 PolarHBondContact O-N 2.87Å; V318-Y321 PolarHBondContact O-N 3.46Å; Y321-A325 VanDerWaalsContact O-CB 3.31Å; Y321-A325 WeakPolarHBondContact O-CB 3.47Å; Y321-A325 PolarHBondContact O-N 3.01Å
322L82.4Confident80Confident69 Ų6943.3 Ų43.336%0.36121%0.213SC..Hα-helixtrans-67-44.5177.6-75.7174.9000112.4F196 V318 F319 F320 A325 Q326F196-L322 HydrophobicContact CD1-CD1 4.4Å; F196-L322 HydrophobicContact CE1-CD1 4.36Å; V318-L322 HydrophobicContact CG1-CD1 3.79Å; V318-L322 HydrophobicContact CG1-CG 4.23Å; V318-L322 WeakPolarHBondContact O-CB 3.47Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 2.98Å; F319-L322 PolarHBondContact O-N 3.23Å; F320-L322 PolarHBondContact O-N 3.42Å; L322-A325 PolarHBondContact O-N 2.79Å; L322-Q326 WeakPolarHBondContact O-CB 3.49Å; L322-Q326 WeakPolarHBondContact O-CG 3.41Å; L322-Q326 PolarHBondContact O-N 2.68Å
323T84.9Confident78.4Confident0 Ų044.8 Ų44.80%023%0.229CC..Hα-helixtrans-64.7-40.7176.850.50000111.4L193 I242 F319 F320 Q326 Y327L193-T323 HydrophobicContact CD1-CG2 3.72Å; L193-T323 HydrophobicContact CD2-CG2 4.48Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.27Å; F319-T323 HydrophobicContact CD1-CG2 4.24Å; F319-T323 HydrophobicContact CD2-CG2 3.9Å; F319-T323 HydrophobicContact CE1-CG2 3.88Å; F319-T323 HydrophobicContact CE2-CG2 3.52Å; F319-T323 HydrophobicContact CG-CG2 4.27Å; F319-T323 HydrophobicContact CZ-CG2 3.51Å; F319-T323 WeakPolarHBondContact O-CB 3.41Å; F319-T323 VanDerWaalsContact O-CG2 3.25Å; F319-T323 WeakPolarHBondContact O-CG2 3.1Å; F319-T323 PolarHBondContact O-N 3.03Å; F319-T323 PolarHBondContact O-OG1 3.36Å; F320-T323 WeakPolarHBondContact CA-OG1 3.11Å; F320-T323 PolarHBondContact O-N 2.91Å; F320-T323 PolarHBondContact O-OG1 3.03Å; T323-Q326 PolarHBondContact O-N 3.12Å; T323-Y327 VanDerWaalsContact O-CB 3.24Å; T323-Y327 WeakPolarHBondContact O-CB 3.21Å; T323-Y327 PolarHBondContact O-N 3.18Å
324V83.5Confident76.6Confident10 Ų1046 Ų466%0.06124%0.238CC..Hα-helixtrans-65.4-43.1175.2170.70000111.8A43 I242 F320 Y327 K328A43-V324 HydrophobicContact CB-CG1 4.44Å; A43-V324 WeakPolarHBondContact O-CG1 3.21Å; I242-V324 HydrophobicContact CD1-CG2 4.24Å; I242-V324 HydrophobicContact CG1-CG2 4.14Å; I242-V324 HydrophobicContact CG2-CG2 3.8Å; F320-V324 HydrophobicContact CD2-CG2 4.18Å; F320-V324 HydrophobicContact CE1-CG2 4.29Å; F320-V324 HydrophobicContact CE2-CG2 3.86Å; F320-V324 HydrophobicContact CZ-CG2 3.93Å; F320-V324 WeakPolarHBondContact O-CB 3.49Å; F320-V324 WeakPolarHBondContact O-CG2 3.35Å; F320-V324 PolarHBondContact O-N 3.45Å; V324-Y327 PolarHBondContact O-N 3.38Å; V324-K328 PolarHBondContact O-N 3.23Å
325A76.2Confident74.4Confident37 Ų3751.1 Ų51.131%0.30625%0.25SS..Hα-helixtrans-62.1-46.7176.200000111.3Y321 L322 K328 F329Y321-A325 VanDerWaalsContact O-CB 3.31Å; Y321-A325 WeakPolarHBondContact O-CB 3.47Å; Y321-A325 PolarHBondContact O-N 3.01Å; L322-A325 PolarHBondContact O-N 2.79Å; A325-K328 PolarHBondContact O-N 2.99Å; A325-F329 WeakPolarHBondContact O-CD2 3.41Å; A325-F329 VanDerWaalsContact O-CG 3.24Å; A325-F329 WeakPolarHBondContact O-CG 3Å; A325-F329 PolarHBondContact O-N 3.16Å
326Q76.9Confident72Confident13 Ų1358 Ų586%0.06128%0.281CS..Hα-helixtrans-62.6-42.4175.2-79.4-62.4-53.900112.4T189 L322 T323 K328 F329 T330T189-Q326 VanDerWaalsContact CB-CD 3.45Å; T189-Q326 VanDerWaalsContact CG2-NE2 3.3Å; T189-Q326 VanDerWaalsContact OG1-CD 3.3Å; T189-Q326 PolarHBondContact OG1-NE2 2.85Å; T189-Q326 PolarHBondContact OG1-OE1 3.15Å; L322-Q326 WeakPolarHBondContact O-CB 3.49Å; L322-Q326 WeakPolarHBondContact O-CG 3.41Å; L322-Q326 PolarHBondContact O-N 2.68Å; T323-Q326 PolarHBondContact O-N 3.12Å; Q326-K328 VanDerWaalsContact C-N 3.34Å; Q326-K328 PolarHBondContact O-N 3.08Å; Q326-F329 PolarHBondContact O-N 2.92Å; Q326-T330 WeakPolarHBondContact O-CG2 3.42Å; Q326-T330 PolarHBondContact O-N 2.83Å; Q326-T330 PolarHBondContact O-OG1 3.49Å; Q326-T330 VanDerWaalsContact O-OG1 3.12Å
327Y80.9Confident69.7Low61 Ų6167.3 Ų67.324%0.23932%0.318CS..Hα-helixtrans-63-38.9176176.9-106.9000111.9I242 T323 V324 T330 R331I242-Y327 HydrophobicContact CD1-CD1 4.33Å; I242-Y327 HydrophobicContact CD1-CG 3.97Å; T323-Y327 VanDerWaalsContact O-CB 3.24Å; T323-Y327 WeakPolarHBondContact O-CB 3.21Å; T323-Y327 PolarHBondContact O-N 3.18Å; V324-Y327 PolarHBondContact O-N 3.38Å; Y327-T330 PolarHBondContact O-N 2.76Å; Y327-T330 PolarHBondContact O-OG1 3.09Å; Y327-R331 WeakPolarHBondContact O-CB 3.35Å; Y327-R331 PolarHBondContact O-N 3.24Å
328K73.2Confident67.4Low43 Ų4371.1 Ų71.119%0.18734%0.337CS..Hα-helixtrans-66.7-38.5173.3-79.2-177.7174178.50112.5A43 V44 L45 V324 A325 Q326 N332A43-K328 WeakPolarHBondContact O-CE 3.37Å; A43-K328 PolarHBondContact O-NZ 2.92Å; V44-K328 WeakPolarHBondContact O-CE 3.39Å; V44-K328 PolarHBondContact O-NZ 3.34Å; L45-K328 PolarHBondContact O-NZ 2.9Å; V324-K328 PolarHBondContact O-N 3.23Å; A325-K328 PolarHBondContact O-N 2.99Å; Q326-K328 VanDerWaalsContact C-N 3.34Å; Q326-K328 PolarHBondContact O-N 3.08Å; K328-N332 WeakPolarHBondContact O-CB 3.18Å; K328-N332 PolarHBondContact O-N 3.37Å
329F70.1Confident64.9Low108 Ų10875 Ų7547%0.47436%0.356SS..Hα-helixtrans-66-42.2175.4-65.7-22.1000111.7A325 Q326 G333A325-F329 WeakPolarHBondContact O-CD2 3.41Å; A325-F329 VanDerWaalsContact O-CG 3.24Å; A325-F329 WeakPolarHBondContact O-CG 3Å; A325-F329 PolarHBondContact O-N 3.16Å; Q326-F329 PolarHBondContact O-N 2.92Å; F329-G333 PolarHBondContact O-N 2.74Å; F329-G333 VanDerWaalsContact O-N 3.11Å
330T67.4Low62.5Low32 Ų3281.7 Ų81.720%0.19639%0.392CS..Hα-helixtrans-75.9-28.3177.658.20000113.2N235 Q326 Y327 S334N235-T330 PolarHBondContact OD1-OG1 3.2Å; N235-T330 VanDerWaalsContact OD1-OG1 3.05Å; Q326-T330 WeakPolarHBondContact O-CG2 3.42Å; Q326-T330 PolarHBondContact O-N 2.83Å; Q326-T330 PolarHBondContact O-OG1 3.49Å; Q326-T330 VanDerWaalsContact O-OG1 3.12Å; Y327-T330 PolarHBondContact O-N 2.76Å; Y327-T330 PolarHBondContact O-OG1 3.09Å; T330-S334 PolarHBondContact O-N 2.86Å
331R65.7Low59.7Low150 Ų15086.8 Ų86.857%0.56642%0.419SS*.Hα-helixtrans-78.4-42.6178-179.5-178.3169.4-177.1-0.5113.5Y327 S334Y327-R331 WeakPolarHBondContact O-CB 3.35Å; Y327-R331 PolarHBondContact O-N 3.24Å; R331-S334 PolarHBondContact O-OG 3.01Å
332N57.4Low56.9Low78 Ų7891.9 Ų91.942%0.41745%0.445SS..Hα-helixtrans-76.5-33.8177-76.5-5.6000111.1K328 S334 R335K328-N332 WeakPolarHBondContact O-CB 3.18Å; K328-N332 PolarHBondContact O-N 3.37Å; N332-S334 PolarHBondContact O-N 3.5Å; N332-R335 PolarHBondContact O-N 2.66Å
333G52.2Low54.4Low33 Ų3398.4 Ų98.434%0.3447%0.467SS..Hα-helixtrans-70.4-6.8173.900000114.1F329 Y337F329-G333 PolarHBondContact O-N 2.74Å; F329-G333 VanDerWaalsContact O-N 3.11Å; G333-Y337 WeakPolarHBondContact O-CB 3.37Å; G333-Y337 WeakPolarHBondContact O-CD2 3.4Å
334S44.5Very low51.6Low48 Ų48102.7 Ų102.734%0.33651%0.51SS..Hα-helixtrans-90.8-27.5171.169.30000112.3T330 R331 N332 Y337 I338T330-S334 PolarHBondContact O-N 2.86Å; R331-S334 PolarHBondContact O-OG 3.01Å; N332-S334 PolarHBondContact O-N 3.5Å; S334-Y337 CarbonylContact O-C 3.58Å; S334-Y337 PolarHBondContact O-N 3.46Å; S334-I338 VanDerWaalsContact O-CB 3.24Å; S334-I338 WeakPolarHBondContact O-CB 3.45Å; S334-I338 WeakPolarHBondContact O-CD1 3.32Å; S334-I338 WeakPolarHBondContact O-CG1 3.46Å; S334-I338 PolarHBondContact O-N 3.33Å; S334-I338 VanDerWaalsContact O-N 3.1Å
335R38.8Very low49.1Very low214 Ų214105.9 Ų105.981%0.80853%0.533SS*.Hα-helixtrans-86.4-23.8-174.3-151170.9172.1166.7-2.6114.1N332 Y337N332-R335 PolarHBondContact O-N 2.66Å; R335-Y337 VanDerWaalsContact C-N 3.28Å
336E37.1Very low47Very low159 Ų159107.8 Ų107.874%0.74354%0.544SS*.SBendtrans-81.9-7.8162.9-91.5169.8177.300112.5
337Y40.2Very low44.7Very low195 Ų195111.6 Ų111.677%0.76557%0.568SS**SBendtrans-102.6-0.1173.8-100.4-92.7000112.9G333 S334 R335G333-Y337 WeakPolarHBondContact O-CB 3.37Å; G333-Y337 WeakPolarHBondContact O-CD2 3.4Å; S334-Y337 CarbonylContact O-C 3.58Å; S334-Y337 PolarHBondContact O-N 3.46Å; R335-Y337 VanDerWaalsContact C-N 3.28Å
338I36.3Very low42.3Very low111 Ų111116.2 Ų116.257%0.56959%0.592SS**SBendtrans-108.7-8.4-174.3-77.5165.7000113S334S334-I338 VanDerWaalsContact O-CB 3.24Å; S334-I338 WeakPolarHBondContact O-CB 3.45Å; S334-I338 WeakPolarHBondContact O-CD1 3.32Å; S334-I338 WeakPolarHBondContact O-CG1 3.46Å; S334-I338 PolarHBondContact O-N 3.33Å; S334-I338 VanDerWaalsContact O-N 3.1Å
339D33.9Very low40.6Very low141 Ų141122 Ų12275%0.75462%0.62SS**SBendtrans-114.94.7168.8-103.8-26000113.9N341D339-N341 PolarHBondContact O-N 2.97Å
340D37.7Very low38.8Very low141 Ų141123.4 Ų123.475%0.75463%0.628SS**SBendtrans-89.874.3151.4-84.2-20.9000107E342D340-E342 PolarHBondContact O-N 3.4Å; D340-E342 VanDerWaalsContact O-N 3.08Å
341N29.1Very low37.2Very low116 Ų116127.6 Ų127.662%0.6265%0.648SS**  trans-44.6113.1173.7-85.2-40.9000110.6D339 Y343D339-N341 PolarHBondContact O-N 2.97Å; N341-Y343 PolarHBondContact O-N 3.19Å
342E27Very low35.7Very low170 Ų170125.8 Ų125.879%0.79465%0.649SS**SBend25.975.5121.3-65-175147.700115.1D340D340-E342 PolarHBondContact O-N 3.4Å; D340-E342 VanDerWaalsContact O-N 3.08Å
343Y28.8Very low34.7Very low207 Ų207125.1 Ų125.181%0.81265%0.651SS**  trans17357.6146.1-85.8-68.2000109.4N341 S345N341-Y343 PolarHBondContact O-N 3.19Å; Y343-S345 VanDerWaalsContact C-N 3.34Å
344G27.1Very low33.6Very low89 Ų89129.5 Ų129.592%0.91867%0.666SS**  trans-91.50.7171.500000114.3
345S31.2Very low33.1Very low77 Ų77130.5 Ų130.554%0.53868%0.677SS.*SBendtrans-56.3140152172.10000110.1Y343 V347Y343-S345 VanDerWaalsContact C-N 3.34Å; S345-V347 PolarHBondContact O-N 3.47Å
346S32Very low32.7Very low77 Ų77124.8 Ų124.854%0.53867%0.67SS.*SBendtrans735.2143.261.40000124.3
347V28.2Very low32.4Very low94 Ų94121.5 Ų121.557%0.5767%0.665SS**SBendtrans-112.2-18.2-175.2-174.80000117.1S345 E349S345-V347 PolarHBondContact O-N 3.47Å; V347-E349 VanDerWaalsContact C-N 3.27Å; V347-E349 PolarHBondContact O-N 2.87Å
348H31.1Very low31.8Very low158 Ų158117.6 Ų117.673%0.73167%0.666SS**Hα-helixtrans-79.8-9.8171.5-115.3-28.7000113.8L352H348-L352 WeakPolarHBondContact O-CD1 2.93Å
349E36.4Very low31.5Very low164 Ų164116.6 Ų116.677%0.76668%0.675SS**Hα-helixtrans-91.4-20.9-178.8-143.5155.3-172.800112.5V347 S353V347-E349 VanDerWaalsContact C-N 3.27Å; V347-E349 PolarHBondContact O-N 2.87Å; E349-S353 WeakPolarHBondContact O-CB 3.38Å; E349-S353 PolarHBondContact O-N 3.45Å; E349-S353 PolarHBondContact O-OG 2.96Å
350E33.4Very low31.2Very low138 Ų138117.7 Ų117.765%0.64568%0.68SS**Hα-helixtrans-86.8-21.4175.5-76.2-173.3160.900114.4S353E350-S353 WeakPolarHBondContact CA-OG 3.47Å; E350-S353 PolarHBondContact O-OG 3.11Å
351L33.6Very low30.8Very low119 Ų119118.2 Ų118.262%0.62368%0.683SS**Hα-helixtrans-89.3-18.1172.8-84.6162.5000113.2A355L351-A355 WeakPolarHBondContact O-CB 3.47Å; L351-A355 PolarHBondContact O-N 3.46Å
352L34.3Very low30.9Very low113 Ų113119.6 Ų119.659%0.59269%0.69SS**Hα-helixtrans-93.3-18.7174.3-77.4164.6000112.8H348 S356H348-L352 WeakPolarHBondContact O-CD1 2.93Å; L352-S356 PolarHBondContact O-N 2.69Å; L352-S356 PolarHBondContact O-OG 2.99Å
353S35.3Very low31.1Very low64 Ų64118.5 Ų118.545%0.44869%0.685SS.*SBendtrans-75.8-22.7166.362.50000113.4E349 E350E349-S353 WeakPolarHBondContact O-CB 3.38Å; E349-S353 PolarHBondContact O-N 3.45Å; E349-S353 PolarHBondContact O-OG 2.96Å; E350-S353 WeakPolarHBondContact CA-OG 3.47Å; E350-S353 PolarHBondContact O-OG 3.11Å
354N30.4Very low31.2Very low124 Ų124117 Ų11766%0.66369%0.685SS**SBendtrans-94.5-10.4172.6-82.9-8.8000114.1S357N354-S357 PolarHBondContact O-OG 3.27Å
355A32.6Very low31.3Very low69 Ų69115.8 Ų115.857%0.5767%0.674SS**SBendtrans-97.8-7.317600000113.5L351L351-A355 WeakPolarHBondContact O-CB 3.47Å; L351-A355 PolarHBondContact O-N 3.46Å
356S31.7Very low31.2Very low95 Ų95123 Ų12366%0.66469%0.689SS**SBendtrans-105.23.6177.450.50000113.7L352L352-S356 PolarHBondContact O-N 2.69Å; L352-S356 PolarHBondContact O-OG 2.99Å
357S29.6Very low31.2Very low90 Ų90122.6 Ų122.663%0.62969%0.69SS**SBendtrans-97.819.4173.355.20000113.8N354N354-S357 PolarHBondContact O-OG 3.27Å
358S29Very low31.2Very low113 Ų113128.4 Ų128.479%0.7970%0.702SS**SBendtrans-141.129.9-176.5-143.60000115.2
359A29.4Very low31.1Very low90 Ų90124.8 Ų124.874%0.74470%0.695SS**  trans-140.232.9170.600000113
360N27.6Very low30.8Very low163 Ų163127.7 Ų127.787%0.87270%0.699SS**  trans-9789.4155-85.7-22000106.4
361D29.5Very low30.8Very low152 Ų152125.9 Ų125.981%0.81370%0.702SS**  trans-154.9139.5147.2-90.2-31.8000106.5
362D30.4Very low30.9Very low145 Ų145125 Ų12578%0.77570%0.703SS**  trans95.489.6171-52.6-24.1000119.4
363E31.6Very low30.8Very low147 Ų147127.3 Ų127.369%0.68772%0.715SS**  91.695.5127.1-65.2-163.3130.400118.7
364Q30.4Very low30.8Very low175 Ų175134.7 Ų134.782%0.81873%0.733SS**  87.6126.593.1-80.7168.627.800111.3
365G30.1Very low31Very low65 Ų65135.2 Ų135.267%0.6774%0.736SS**  cis-173.8135.31.600000106.2
366R28.9Very low30.8Very low227 Ų227135.5 Ų135.586%0.85775%0.745SS**  62.4133100.1-110.5-173.4173.7130.6-1.6112.8
367A31Very low30.7Very low69 Ų69139.6 Ų139.657%0.5775%0.754SS**  cis-178.4152.821.100000111.4
368R29.4Very low30.6Very low216 Ų216143 Ų14382%0.81576%0.76SS**  70.5145127.6-80.6175.2180172.7-2.8118.1
369S29.4Very low30.5Very low83 Ų83146.7 Ų146.758%0.5877%0.765SS**  cis175.3143.114.5150.90000111.4
370R28.9Very low30.4Very low224 Ų224145 Ų14585%0.84576%0.756SS**  trans65.4113.6140.8-74.4175.3173.5168.1-6.2119.6
371S33.7Very low30.4Very low101 Ų101143.3 Ų143.371%0.70676%0.757SS**  80.8164.377.4810000113.2
372P36Very low30.2Very low101 Ų101142.8 Ų142.866%0.65675%0.753SS**  cis-146.6179.52.640.1-18.7000117.3
373L32.9Very low30.3Very low161 Ų161140.5 Ų140.584%0.84375%0.746SS**  trans65.5127.6145.4-76.5149.2000121.5
374R34.1Very low30.5Very low218 Ų218139.5 Ų139.582%0.82375%0.745SS**  161.4114.5106.6-170.3167.7161.3173-9.2115
375N34.7Very low30.8Very low136 Ų136142.1 Ų142.173%0.72775%0.747SS**  trans86116.9141.9-63.90.1000124.4
376G29.6Very low31.4Very low74 Ų74144.8 Ų144.876%0.76374%0.74SS**  trans90.4122.5148.600000115.9
377E29.1Very low32.1Very low182 Ų182136 Ų13685%0.8571%0.711SS**  cis-157.5136.510-83170147.800108.2
378E27.3Very low33.2Very low161 Ų161135.7 Ų135.775%0.75270%0.702SS**  trans47.8105.7132.3-61.8-173.4169.900119.9
379Q27.3Very low34.6Very low190 Ų190125.9 Ų125.989%0.88867%0.667SS**  75.1112.193.3-76.2-175.53.900113.5
380G27.3Very low36.1Very low55 Ų55125.6 Ų125.657%0.56766%0.657SS**  trans172.778.7173.800000110I382G380-I382 VanDerWaalsContact C-N 3.31Å; G380-I382 PolarHBondContact O-N 3.48Å
381S26.6Very low37.6Very low128 Ų128118.2 Ų118.290%0.89564%0.636SS**  trans-5887.3162.450.20000110.3
382I24.9Very low38.9Very low141 Ų141115.1 Ų115.172%0.72361%0.613SS**  trans-150.5145.5-176.2-31171.9000110G380G380-I382 VanDerWaalsContact C-N 3.31Å; G380-I382 PolarHBondContact O-N 3.48Å
383P34Very low40.2Very low96 Ų96111 Ų11162%0.62359%0.586SS**  -85.8167.6-105.222.50000112.1R385P383-R385 WeakPolarHBondContact O-CA 3.43Å; P383-R385 PolarHBondContact O-N 2.82Å
384L34.1Very low41.7Very low127 Ų127108.9 Ų108.967%0.66557%0.566SS**  trans-47.8101.1165.6-90.6134000109.4K386L384-K386 PolarHBondContact O-N 2.92Å
385R38.7Very low43Very low230 Ų230101.3 Ų101.387%0.86854%0.542SS*.  trans-64.7123.3-162.6-164.4177.4-173.7-176.33.1109.6P383 V387P383-R385 WeakPolarHBondContact O-CA 3.43Å; P383-R385 PolarHBondContact O-N 2.82Å; R385-V387 PolarHBondContact O-N 3.27Å
386K40.8Very low44.3Very low121 Ų12199.4 Ų99.453%0.52653%0.528SS..  trans-18.5102.8-178.3-93.6-177.2172.1-175.40112.2L384 T388 E543L384-K386 PolarHBondContact O-N 2.92Å; K386-T388 VanDerWaalsContact C-N 3.32Å; K386-T388 WeakPolarHBondContact O-CG2 3.02Å; K386-T388 PolarHBondContact O-N 3.03Å; K386-E543 IonicContact NZ-OE1 3.63Å; K386-E543 PolarHBondContact NZ-OE1 3.39Å
387V45.5Very low45.9Very low41 Ų4197 Ų9725%0.24850%0.497CS..  trans-60.199.5168.5177.90000106.6R385 V391 V392 R550 I554R385-V387 PolarHBondContact O-N 3.27Å; V387-V391 HydrophobicContact CG1-CB 4.3Å; V387-V392 HydrophobicContact CG1-CG2 3.77Å; V387-R550 PolarHBondContact O-NH2 3.2Å; V387-R550 VanDerWaalsContact O-NH2 3.08Å; V387-I554 HydrophobicContact CG2-CD1 4.09Å
388T52.1Low47.5Very low63 Ų6389 Ų8939%0.38746%0.461SS..  trans-68.7152.3-176.763.70000109.2K386 Q390 V391K386-T388 VanDerWaalsContact C-N 3.32Å; K386-T388 WeakPolarHBondContact O-CG2 3.02Å; K386-T388 PolarHBondContact O-N 3.03Å; T388-Q390 PolarHBondContact O-N 2.89Å; T388-V391 PolarHBondContact O-N 3.16Å
389S59.7Low49.1Very low10 Ų1086.4 Ų86.47%0.0745%0.452CS..Hα-helixtrans-52.1-28.2176.957.80000112.7V391 V392 D393S389-V391 PolarHBondContact O-N 2.83Å; S389-V392 PolarHBondContact O-N 3Å; S389-D393 WeakPolarHBondContact O-CB 3.48Å; S389-D393 PolarHBondContact O-N 2.68Å
390Q61.3Low50.6Low78 Ų7883.5 Ų83.536%0.36444%0.441SS..Hα-helixtrans-60.3-39.5175.7-64.7177.4-40.300113.8T388 R394T388-Q390 PolarHBondContact O-N 2.89Å; Q390-R394 WeakPolarHBondContact O-CB 3.26Å; Q390-R394 PolarHBondContact O-N 3.02Å
391V60.1Low52.1Low68 Ų6884.5 Ų84.541%0.41243%0.43SS..Hα-helixtrans-73.6-39.9-177.9-1790000110.6V387 T388 S389 R394 N395V387-V391 HydrophobicContact CG1-CB 4.3Å; T388-V391 PolarHBondContact O-N 3.16Å; S389-V391 PolarHBondContact O-N 2.83Å; V391-R394 PolarHBondContact O-N 3.09Å; V391-N395 PolarHBondContact O-N 3.48Å
392V61.3Low53.6Low36 Ų3679.8 Ų79.822%0.21840%0.395CS..Hα-helixtrans-67.7-39.8176.5-176.70000111V387 S389 N395 K396 Y542V387-V392 HydrophobicContact CG1-CG2 3.77Å; S389-V392 PolarHBondContact O-N 3Å; V392-N395 PolarHBondContact O-N 3.16Å; V392-K396 HydrophobicContact CG1-CD 4.47Å; V392-K396 PolarHBondContact O-N 3.2Å; V392-Y542 HydrophobicContact CG1-CE1 4.25Å; V392-Y542 HydrophobicContact CG2-CE1 4.31Å
393D62.7Low54.9Low16 Ų1677.4 Ų77.49%0.08639%0.387CS..Hα-helixtrans-63.7-45.3175.9-78.7-8.8000111.9S389 N395 K396 L397 R538S389-D393 WeakPolarHBondContact O-CB 3.48Å; S389-D393 PolarHBondContact O-N 2.68Å; D393-N395 VanDerWaalsContact C-N 3.28Å; D393-N395 PolarHBondContact O-N 3.42Å; D393-K396 PolarHBondContact O-N 3.44Å; D393-L397 HydrophobicContact CB-CD1 4.47Å; D393-L397 VanDerWaalsContact O-CB 3.28Å; D393-L397 WeakPolarHBondContact O-CB 3.45Å; D393-L397 WeakPolarHBondContact O-CD1 3.36Å; D393-L397 WeakPolarHBondContact O-CG 3.27Å; D393-L397 PolarHBondContact O-N 3.28Å; D393-R538 IonicContact OD1-CZ 2.77Å; D393-R538 IonicContact OD1-NH1 4Å; D393-R538 PolarHBondContact OD1-NH1 2.92Å; D393-R538 IonicContact OD1-NH2 3.81Å; D393-R538 IonicContact OD2-CZ 3.78Å; D393-R538 IonicContact OD2-NH1 3.76Å; D393-R538 PolarHBondContact OD2-NH1 2.61Å; D393-R538 IonicContact OD2-NH2 2.7Å; D393-R538 PolarHBondContact OD2-NH2 3.19Å
394R64.1Low55.3Low115 Ų11579.4 Ų79.443%0.43440%0.4SS..Hα-helixtrans-56.3-43176.6-171.1-173.7150.41104.9111.5Q390 V391 S398 I416Q390-R394 WeakPolarHBondContact O-CB 3.26Å; Q390-R394 PolarHBondContact O-N 3.02Å; V391-R394 PolarHBondContact O-N 3.09Å; R394-S398 WeakPolarHBondContact O-CB 3.44Å; R394-S398 PolarHBondContact O-N 3.47Å; R394-I416 HydrophobicContact CG-CG2 3.55Å
395N61.9Low56Low60 Ų6077.3 Ų77.332%0.32141%0.409SS..Hα-helixtrans-74.4-33.4177.3-87.35.6000113.8V391 V392 D393 S398 N399V391-N395 PolarHBondContact O-N 3.48Å; V392-N395 PolarHBondContact O-N 3.16Å; D393-N395 VanDerWaalsContact C-N 3.28Å; D393-N395 PolarHBondContact O-N 3.42Å; N395-S398 VanDerWaalsContact CA-OG 3.31Å; N395-S398 WeakPolarHBondContact CA-OG 3.35Å; N395-S398 PolarHBondContact O-N 2.98Å; N395-S398 PolarHBondContact O-OG 3.38Å; N395-N399 PolarHBondContact O-N 2.91Å
396K61.8Low56.4Low96 Ų9671.4 Ų71.442%0.41740%0.395SS..Hα-helixtrans-67.2-41171.7-80.1-177.2175.9177.80111.3V392 D393 S398 N399 I400V392-K396 HydrophobicContact CG1-CD 4.47Å; V392-K396 PolarHBondContact O-N 3.2Å; D393-K396 PolarHBondContact O-N 3.44Å; K396-S398 VanDerWaalsContact C-N 3.35Å; K396-N399 PolarHBondContact O-N 3.34Å; K396-I400 WeakPolarHBondContact O-CD1 3.5Å; K396-I400 VanDerWaalsContact O-CG1 3.27Å; K396-I400 WeakPolarHBondContact O-CG1 3.31Å; K396-I400 PolarHBondContact O-N 2.97Å; K396-I400 VanDerWaalsContact O-N 3.16Å
397L62.8Low56.7Low24 Ų2475.5 Ų75.513%0.12641%0.413CS..Hα-helixtrans-64-40.4173.6-77.4154.3000110.6D393 N399 I400 F401 I416 M419 I423D393-L397 HydrophobicContact CB-CD1 4.47Å; D393-L397 VanDerWaalsContact O-CB 3.28Å; D393-L397 WeakPolarHBondContact O-CB 3.45Å; D393-L397 WeakPolarHBondContact O-CD1 3.36Å; D393-L397 WeakPolarHBondContact O-CG 3.27Å; D393-L397 PolarHBondContact O-N 3.28Å; L397-N399 PolarHBondContact O-N 3.39Å; L397-I400 PolarHBondContact O-N 3.09Å; L397-F401 HydrophobicContact CB-CD2 4.43Å; L397-F401 HydrophobicContact CD2-CD2 4.41Å; L397-F401 HydrophobicContact CD2-CE2 3.71Å; L397-F401 WeakPolarHBondContact O-CD2 3.42Å; L397-F401 PolarHBondContact O-N 3.28Å; L397-I416 HydrophobicContact CB-CG1 4.39Å; L397-M419 HydrophobicContact CD1-CB 4.17Å; L397-M419 HydrophobicContact CD2-CB 4.14Å; L397-M419 HydrophobicContact CD2-CG 4.36Å; L397-I423 HydrophobicContact CD1-CD1 4.23Å
398S62.8Low56.9Low12 Ų1277 Ų778%0.08442%0.417CS..Hα-helixtrans-63.1-39.4175.872.60000112.4R394 N395 K396 I400 F401 N402R394-S398 WeakPolarHBondContact O-CB 3.44Å; R394-S398 PolarHBondContact O-N 3.47Å; N395-S398 VanDerWaalsContact CA-OG 3.31Å; N395-S398 WeakPolarHBondContact CA-OG 3.35Å; N395-S398 PolarHBondContact O-N 2.98Å; N395-S398 PolarHBondContact O-OG 3.38Å; K396-S398 VanDerWaalsContact C-N 3.35Å; S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 PolarHBondContact O-N 2.93Å; S398-F401 PolarHBondContact O-N 3.46Å; S398-N402 WeakPolarHBondContact O-CA 2.99Å; S398-N402 VanDerWaalsContact O-CB 3.28Å; S398-N402 WeakPolarHBondContact O-CB 3.3Å; S398-N402 PolarHBondContact O-N 2.79Å
399N61.3Low56.9Low108 Ų10877.4 Ų77.458%0.57842%0.422SS*.Hα-helixtrans-72.5-20.4176.6-71.2-2.2000113.7N395 K396 L397N395-N399 PolarHBondContact O-N 2.91Å; K396-N399 PolarHBondContact O-N 3.34Å; L397-N399 PolarHBondContact O-N 3.39Å
400I59.4Low56.2Low128 Ų12881 Ų8166%0.65645%0.453SS*.Hα-helixtrans-80-37.3172.8-67.8164.1000110.3K396 L397 S398K396-I400 WeakPolarHBondContact O-CD1 3.5Å; K396-I400 VanDerWaalsContact O-CG1 3.27Å; K396-I400 WeakPolarHBondContact O-CG1 3.31Å; K396-I400 PolarHBondContact O-N 2.97Å; K396-I400 VanDerWaalsContact O-N 3.16Å; L397-I400 PolarHBondContact O-N 3.09Å; S398-I400 VanDerWaalsContact C-N 3.29Å; S398-I400 PolarHBondContact O-N 2.93Å
401F59Low55.6Low77 Ų7780.4 Ų80.434%0.33846%0.461SS..Hα-helixtrans-94.2-15.5-176.6-68-60.5000114.6L397 S398 M415 I416L397-F401 HydrophobicContact CB-CD2 4.43Å; L397-F401 HydrophobicContact CD2-CD2 4.41Å; L397-F401 HydrophobicContact CD2-CE2 3.71Å; L397-F401 WeakPolarHBondContact O-CD2 3.42Å; L397-F401 PolarHBondContact O-N 3.28Å; S398-F401 PolarHBondContact O-N 3.46Å; F401-M415 HydrophobicContact CD1-CE 3.95Å; F401-M415 HydrophobicContact CE1-CE 3.21Å; F401-M415 HydrophobicContact CE2-CE 4.09Å; F401-M415 HydrophobicContact CZ-CE 3.31Å; F401-I416 HydrophobicContact CD2-CG1 4.27Å
402N58.1Low55.5Low28 Ų2877.7 Ų77.715%0.1545%0.446CS..SBendtrans-132.2137.8178.6-54-39.9000111.2S398 S412S398-N402 WeakPolarHBondContact O-CA 2.99Å; S398-N402 VanDerWaalsContact O-CB 3.28Å; S398-N402 WeakPolarHBondContact O-CB 3.3Å; S398-N402 PolarHBondContact O-N 2.79Å; N402-S412 PolarHBondContact OD1-OG 3.43Å
403T51.6Low55.3Low92 Ų9279.6 Ų79.656%0.56445%0.451SS*.  trans-69.4143.3167.49.40000110.4G405 D406T403-G405 PolarHBondContact O-N 3.43Å; T403-D406 PolarHBondContact O-N 3.39Å; T403-D406 VanDerWaalsContact O-N 3.14Å; T403-D406 PolarHBondContact OG1-OD2 3.17Å
404P43.2Very low55Low137 Ų13780.5 Ų80.589%0.8946%0.464SS*.THydrogen-bonded Turntrans-58.9110.2177.722-30.1000110
405G47.1Very low54.9Low83 Ų8379.1 Ų79.186%0.85646%0.463SS*.THydrogen-bonded Turntrans118.7-13.4-178.600000116.3T403T403-G405 PolarHBondContact O-N 3.43Å
406D47.6Very low55Low107 Ų10776.4 Ų76.457%0.57245%0.449SS*.  trans-89.9135.3179.9-82.8-41.2000113.3T403 E408T403-D406 PolarHBondContact O-N 3.39Å; T403-D406 VanDerWaalsContact O-N 3.14Å; T403-D406 PolarHBondContact OG1-OD2 3.17Å; D406-E408 PolarHBondContact O-N 3.46Å
407K48.1Very low55Low206 Ų20674.4 Ų74.490%0.89645%0.45SS*.  trans-64.8128.3176.2-69.8-178.1178.9178.80110.7S409K407-S409 PolarHBondContact O-N 3.38Å; K407-S409 VanDerWaalsContact O-N 3.1Å
408E49.4Very low55Low72 Ų7277.4 Ų77.434%0.33647%0.469SS..  trans-55109.6-178.8-62.7-173.415500113D406 K413D406-E408 PolarHBondContact O-N 3.46Å; E408-K413 HydrophobicContact CB-CD 4.4Å; E408-K413 HydrophobicContact CB-CG 4.03Å; E408-K413 WeakPolarHBondContact OE2-CE 3.46Å
409S51.9Low55.1Low72 Ų7280.8 Ų80.850%0.50349%0.485SS..  trans-62.6146.6172174.20000111.9K407 A411 S412 K413K407-S409 PolarHBondContact O-N 3.38Å; K407-S409 VanDerWaalsContact O-N 3.1Å; S409-A411 PolarHBondContact O-N 2.98Å; S409-A411 VanDerWaalsContact O-N 3.16Å; S409-A411 PolarHBondContact OG-N 3.33Å; S409-S412 PolarHBondContact N-OG 3.22Å; S409-S412 PolarHBondContact O-N 3.4Å; S409-S412 PolarHBondContact O-OG 2.96Å; S409-K413 PolarHBondContact O-N 3.43Å
410A45.8Very low55.3Low85 Ų8577.2 Ų77.270%0.70247%0.467SS*.Hα-helixtrans-56.8-31.7176.900000112.9G414A410-G414 PolarHBondContact O-N 2.94Å
411A47.3Very low55.7Low66 Ų6677.1 Ų77.155%0.54546%0.462SS..Hα-helixtrans-68.8-40.3174.300000112S409 G414 M415S409-A411 PolarHBondContact O-N 2.98Å; S409-A411 VanDerWaalsContact O-N 3.16Å; S409-A411 PolarHBondContact OG-N 3.33Å; A411-G414 PolarHBondContact O-N 3.2Å; A411-M415 WeakPolarHBondContact O-CB 3.37Å; A411-M415 PolarHBondContact O-N 3.13Å
412S58.9Low56.1Low12 Ų1276.7 Ų76.78%0.08447%0.466CS..Hα-helixtrans-70.3-39.1175.666.50000111.2N402 S409 G414 M415 I416N402-S412 PolarHBondContact OD1-OG 3.43Å; S409-S412 PolarHBondContact N-OG 3.22Å; S409-S412 PolarHBondContact O-N 3.4Å; S409-S412 PolarHBondContact O-OG 2.96Å; S412-G414 PolarHBondContact O-N 3.32Å; S412-M415 PolarHBondContact O-N 3.34Å; S412-I416 VanDerWaalsContact O-CB 3.29Å; S412-I416 WeakPolarHBondContact O-CB 3.43Å; S412-I416 VanDerWaalsContact O-CD1 3.28Å; S412-I416 WeakPolarHBondContact O-CD1 3.3Å; S412-I416 WeakPolarHBondContact O-CG1 3.48Å; S412-I416 PolarHBondContact O-N 2.95Å
413K57.6Low56.6Low76 Ų7678 Ų7833%0.3347%0.472SS..Hα-helixtrans-59.4-42.6170.8-71.5-178.2-178.7173.20112.6E408 S409 A417E408-K413 HydrophobicContact CB-CD 4.4Å; E408-K413 HydrophobicContact CB-CG 4.03Å; E408-K413 WeakPolarHBondContact OE2-CE 3.46Å; S409-K413 PolarHBondContact O-N 3.43Å; K413-A417 WeakPolarHBondContact O-CB 3.27Å; K413-A417 PolarHBondContact O-N 2.95Å
414G56.4Low57.7Low35 Ų3577.1 Ų77.136%0.36146%0.461SS..Hα-helixtrans-63.8-48.517600000112.5A410 A411 S412 I416 A417 V418A410-G414 PolarHBondContact O-N 2.94Å; A411-G414 PolarHBondContact O-N 3.2Å; S412-G414 PolarHBondContact O-N 3.32Å; G414-I416 VanDerWaalsContact C-N 3.35Å; G414-I416 PolarHBondContact O-N 3.25Å; G414-A417 PolarHBondContact O-N 3.3Å; G414-V418 WeakPolarHBondContact O-CG2 3.42Å; G414-V418 PolarHBondContact O-N 3.27Å
415M60.8Low59.2Low86 Ų8673.6 Ų73.642%0.42443%0.432SS..Hα-helixtrans-63.3-39.3176.2-82-174.353.800112.7F401 A411 S412 A417 V418 M419F401-M415 HydrophobicContact CD1-CE 3.95Å; F401-M415 HydrophobicContact CE1-CE 3.21Å; F401-M415 HydrophobicContact CE2-CE 4.09Å; F401-M415 HydrophobicContact CZ-CE 3.31Å; A411-M415 WeakPolarHBondContact O-CB 3.37Å; A411-M415 PolarHBondContact O-N 3.13Å; S412-M415 PolarHBondContact O-N 3.34Å; M415-A417 VanDerWaalsContact C-N 3.34Å; M415-V418 PolarHBondContact O-N 2.69Å; M415-M419 VanDerWaalsContact O-CB 3.29Å; M415-M419 WeakPolarHBondContact O-CB 3.26Å; M415-M419 VanDerWaalsContact O-CG 3.31Å; M415-M419 WeakPolarHBondContact O-CG 3.42Å; M415-M419 PolarHBondContact O-N 2.66Å
416I63.8Low60.6Low2 Ų270.1 Ų70.11%0.0140%0.395CS..Hα-helixtrans-62.6-43.3175.3-69.7162.9000109.9R394 L397 F401 S412 G414 T420R394-I416 HydrophobicContact CG-CG2 3.55Å; L397-I416 HydrophobicContact CB-CG1 4.39Å; F401-I416 HydrophobicContact CD2-CG1 4.27Å; S412-I416 VanDerWaalsContact O-CB 3.29Å; S412-I416 WeakPolarHBondContact O-CB 3.43Å; S412-I416 VanDerWaalsContact O-CD1 3.28Å; S412-I416 WeakPolarHBondContact O-CD1 3.3Å; S412-I416 WeakPolarHBondContact O-CG1 3.48Å; S412-I416 PolarHBondContact O-N 2.95Å; G414-I416 VanDerWaalsContact C-N 3.35Å; G414-I416 PolarHBondContact O-N 3.25Å; I416-T420 VanDerWaalsContact O-CB 3.29Å; I416-T420 WeakPolarHBondContact O-CB 3.25Å; I416-T420 PolarHBondContact O-N 3.15Å; I416-T420 PolarHBondContact O-OG1 2.78Å
417A61.3Low62.4Low54 Ų5466.7 Ų66.745%0.44637%0.374SS..Hα-helixtrans-66-43.9177.400000112.6K413 G414 M415 T420 F421K413-A417 WeakPolarHBondContact O-CB 3.27Å; K413-A417 PolarHBondContact O-N 2.95Å; G414-A417 PolarHBondContact O-N 3.3Å; M415-A417 VanDerWaalsContact C-N 3.34Å; A417-T420 PolarHBondContact O-N 3.33Å; A417-F421 WeakPolarHBondContact O-CB 3.34Å; A417-F421 PolarHBondContact O-N 2.92Å
418V64.3Low63.8Low88 Ų8858.7 Ų58.753%0.53334%0.344SS..Hα-helixtrans-65.3-47.2177.6173.20000111G414 M415 T420 F421 V422G414-V418 WeakPolarHBondContact O-CG2 3.42Å; G414-V418 PolarHBondContact O-N 3.27Å; M415-V418 PolarHBondContact O-N 2.69Å; V418-T420 VanDerWaalsContact C-N 3.28Å; V418-T420 PolarHBondContact O-N 3.37Å; V418-F421 WeakPolarHBondContact O-CB 3.23Å; V418-F421 PolarHBondContact O-N 2.97Å; V418-F421 VanDerWaalsContact O-N 3.14Å; V418-V422 HydrophobicContact CG1-CG2 4.25Å; V418-V422 VanDerWaalsContact O-CG2 3.31Å; V418-V422 WeakPolarHBondContact O-CG2 3.47Å; V418-V422 PolarHBondContact O-N 2.91Å
419M64.1Low65.4Low83 Ų8359.2 Ų59.241%0.40935%0.348SS..Hα-helixtrans-62-38.3176.8-74.8-68.3-178.400111.4L397 M415 V422 I423L397-M419 HydrophobicContact CD1-CB 4.17Å; L397-M419 HydrophobicContact CD2-CB 4.14Å; L397-M419 HydrophobicContact CD2-CG 4.36Å; M415-M419 VanDerWaalsContact O-CB 3.29Å; M415-M419 WeakPolarHBondContact O-CB 3.26Å; M415-M419 VanDerWaalsContact O-CG 3.31Å; M415-M419 WeakPolarHBondContact O-CG 3.42Å; M415-M419 PolarHBondContact O-N 2.66Å; M419-V422 PolarHBondContact O-N 3.45Å; M419-I423 WeakPolarHBondContact O-CB 3.38Å; M419-I423 WeakPolarHBondContact O-CD1 3.31Å; M419-I423 WeakPolarHBondContact O-CG1 3.32Å; M419-I423 PolarHBondContact O-N 3.31Å
420T66.5Low66.9Low33 Ų3355.9 Ų55.920%0.20233%0.325CS..Hα-helixtrans-65.7-40.3174.8-530000111.6I416 A417 V418 F424I416-T420 VanDerWaalsContact O-CB 3.29Å; I416-T420 WeakPolarHBondContact O-CB 3.25Å; I416-T420 PolarHBondContact O-N 3.15Å; I416-T420 PolarHBondContact O-OG1 2.78Å; A417-T420 PolarHBondContact O-N 3.33Å; V418-T420 VanDerWaalsContact C-N 3.28Å; V418-T420 PolarHBondContact O-N 3.37Å; T420-F424 WeakPolarHBondContact O-CB 3.39Å; T420-F424 PolarHBondContact O-N 2.87Å
421F66.5Low68.8Low125 Ų12552 Ų5255%0.54829%0.293SS..Hα-helixtrans-65.6-44.4176-178.5-94.1000112.2A417 V418 F424 H425A417-F421 WeakPolarHBondContact O-CB 3.34Å; A417-F421 PolarHBondContact O-N 2.92Å; V418-F421 WeakPolarHBondContact O-CB 3.23Å; V418-F421 PolarHBondContact O-N 2.97Å; V418-F421 VanDerWaalsContact O-N 3.14Å; F421-F424 PolarHBondContact O-N 3.26Å; F421-H425 AromaticContact CD2-CD2 3.62Å; F421-H425 AromaticContact CD2-NE2 3.95Å; F421-H425 AromaticContact CE1-CD2 3.76Å; F421-H425 AromaticContact CE2-CD2 3.25Å; F421-H425 WeakPolarHBondContact CE2-CD2 3.37Å; F421-H425 AromaticContact CE2-NE2 3.28Å; F421-H425 VanDerWaalsContact CE2-NE2 3.28Å; F421-H425 WeakPolarHBondContact CE2-NE2 3.1Å; F421-H425 AromaticContact CZ-CD2 3.32Å; F421-H425 WeakPolarHBondContact CZ-CD2 3.47Å; F421-H425 AromaticContact CZ-NE2 3.58Å; F421-H425 PolarHBondContact O-N 3.44Å
422V67.5Low70.4Confident69 Ų6951.7 Ų51.742%0.41828%0.284SS..Hα-helixtrans-63.8-43.6176.8172.10000110.8V418 M419 F424 H425 S426V418-V422 HydrophobicContact CG1-CG2 4.25Å; V418-V422 VanDerWaalsContact O-CG2 3.31Å; V418-V422 WeakPolarHBondContact O-CG2 3.47Å; V418-V422 PolarHBondContact O-N 2.91Å; M419-V422 PolarHBondContact O-N 3.45Å; V422-F424 VanDerWaalsContact C-N 3.26Å; V422-F424 PolarHBondContact O-N 2.81Å; V422-H425 PolarHBondContact O-N 2.73Å; V422-S426 WeakPolarHBondContact O-CA 3.41Å; V422-S426 WeakPolarHBondContact O-CB 3.48Å; V422-S426 PolarHBondContact O-N 3.16Å
423I69.7Low71.6Confident55 Ų5551.6 Ų51.628%0.28228%0.284SS..Hα-helixtrans-61.5-37.8175.3-69.4165.6000110.4L397 M419 S426 L535L397-I423 HydrophobicContact CD1-CD1 4.23Å; M419-I423 WeakPolarHBondContact O-CB 3.38Å; M419-I423 WeakPolarHBondContact O-CD1 3.31Å; M419-I423 WeakPolarHBondContact O-CG1 3.32Å; M419-I423 PolarHBondContact O-N 3.31Å; I423-S426 WeakPolarHBondContact O-CB 3.44Å; I423-S426 PolarHBondContact O-OG 2.89Å; I423-L535 HydrophobicContact CG2-CD2 4.17Å
424F73.2Confident73Confident74 Ų7448.3 Ų48.333%0.32527%0.27SS..Hα-helixtrans-71.5-41.3178.9-169.6-103.8000113.9T420 F421 V422T420-F424 WeakPolarHBondContact O-CB 3.39Å; T420-F424 PolarHBondContact O-N 2.87Å; F421-F424 PolarHBondContact O-N 3.26Å; V422-F424 VanDerWaalsContact C-N 3.26Å; V422-F424 PolarHBondContact O-N 2.81Å
425H75Confident74.3Confident62 Ų6248.6 Ų48.629%0.28726%0.262SS..Hα-helixtrans-90.13.3179.2-75.1-80.3000114.1F421 V422 Y427 S428F421-H425 AromaticContact CD2-CD2 3.62Å; F421-H425 AromaticContact CD2-NE2 3.95Å; F421-H425 AromaticContact CE1-CD2 3.76Å; F421-H425 AromaticContact CE2-CD2 3.25Å; F421-H425 WeakPolarHBondContact CE2-CD2 3.37Å; F421-H425 AromaticContact CE2-NE2 3.28Å; F421-H425 VanDerWaalsContact CE2-NE2 3.28Å; F421-H425 WeakPolarHBondContact CE2-NE2 3.1Å; F421-H425 AromaticContact CZ-CD2 3.32Å; F421-H425 WeakPolarHBondContact CZ-CD2 3.47Å; F421-H425 AromaticContact CZ-NE2 3.58Å; F421-H425 PolarHBondContact O-N 3.44Å; V422-H425 PolarHBondContact O-N 2.73Å; H425-Y427 PolarHBondContact O-N 3.48Å; H425-S428 WeakPolarHBondContact O-CB 3.43Å; H425-S428 PolarHBondContact O-N 3.44Å; H425-S428 PolarHBondContact O-OG 3.49Å
426S77.9Confident75.3Confident11 Ų1147 Ų478%0.07726%0.258CS..Hα-helixtrans-54.3-26.8-17958.50000114.7V422 I423 S428 I429 A430 L535V422-S426 WeakPolarHBondContact O-CA 3.41Å; V422-S426 WeakPolarHBondContact O-CB 3.48Å; V422-S426 PolarHBondContact O-N 3.16Å; I423-S426 WeakPolarHBondContact O-CB 3.44Å; I423-S426 PolarHBondContact O-OG 2.89Å; S426-S428 VanDerWaalsContact C-N 3.26Å; S426-S428 PolarHBondContact O-N 2.92Å; S426-I429 WeakPolarHBondContact O-CB 3.27Å; S426-I429 PolarHBondContact O-N 2.57Å; S426-I429 VanDerWaalsContact O-N 3.15Å; S426-A430 PolarHBondContact O-N 2.85Å; S426-L535 WeakPolarHBondContact OG-CD1 3.36Å
427Y84Confident76.3Confident35 Ų3547.6 Ų47.614%0.13726%0.259CS..Hα-helixtrans-63.1-30.8175.377.2-87.6000113H425 I429 A430 L431 T462 R463 S466H425-Y427 PolarHBondContact O-N 3.48Å; Y427-I429 VanDerWaalsContact C-N 3.31Å; Y427-A430 PolarHBondContact O-N 3.47Å; Y427-L431 HydrophobicContact CD2-CD1 3.92Å; Y427-L431 HydrophobicContact CE2-CD1 4.27Å; Y427-L431 WeakPolarHBondContact O-CG 3.45Å; Y427-L431 PolarHBondContact O-N 3.38Å; Y427-T462 VanDerWaalsContact CE2-OG1 3.24Å; Y427-T462 WeakPolarHBondContact CE2-OG1 3.28Å; Y427-T462 PolarHBondContact OH-OG1 2.98Å; Y427-T462 VanDerWaalsContact OH-OG1 3.11Å; Y427-R463 HydrophobicContact CD1-CB 3.81Å; Y427-R463 HydrophobicContact CD1-CG 3.69Å; Y427-R463 HydrophobicContact CD2-CB 4.32Å; Y427-R463 HydrophobicContact CE1-CB 3.74Å; Y427-R463 HydrophobicContact CE1-CG 4.05Å; Y427-R463 HydrophobicContact CE2-CB 4.27Å; Y427-R463 HydrophobicContact CG-CB 4.1Å; Y427-R463 HydrophobicContact CG-CG 4.1Å; Y427-S466 WeakPolarHBondContact CB-OG 3.32Å
428S78.7Confident77.3Confident37 Ų3745 Ų4526%0.25924%0.238SC..Hα-helixtrans-68.9-31.4176.166.50000112H425 S426 L431 T432H425-S428 WeakPolarHBondContact O-CB 3.43Å; H425-S428 PolarHBondContact O-N 3.44Å; H425-S428 PolarHBondContact O-OG 3.49Å; S426-S428 VanDerWaalsContact C-N 3.26Å; S426-S428 PolarHBondContact O-N 2.92Å; S428-L431 PolarHBondContact O-N 2.63Å; S428-T432 WeakPolarHBondContact O-CB 3.35Å; S428-T432 WeakPolarHBondContact O-CG2 3.35Å; S428-T432 PolarHBondContact O-N 2.83Å; S428-T432 PolarHBondContact O-OG1 2.89Å
429I83.1Confident78Confident84 Ų8442 Ų4243%0.43122%0.219SC..Hα-helixtrans-68.7-39.2174.5-57.8174.7000110S426 Y427 T432 A433 P528S426-I429 WeakPolarHBondContact O-CB 3.27Å; S426-I429 PolarHBondContact O-N 2.57Å; S426-I429 VanDerWaalsContact O-N 3.15Å; Y427-I429 VanDerWaalsContact C-N 3.31Å; I429-T432 VanDerWaalsContact CA-OG1 3.31Å; I429-T432 WeakPolarHBondContact CA-OG1 3.35Å; I429-T432 PolarHBondContact O-OG1 3.45Å; I429-A433 WeakPolarHBondContact O-CB 3.33Å; I429-A433 PolarHBondContact O-N 3.06Å; I429-P528 HydrophobicContact CG2-CB 4.3Å; I429-P528 HydrophobicContact CG2-CG 4.32Å
430A83Confident78.6Confident2 Ų242.9 Ų42.92%0.01723%0.225CC..Hα-helixtrans-66.6-42.3174.400000112.3S426 Y427 A433 M434 P528 L532S426-A430 PolarHBondContact O-N 2.85Å; Y427-A430 PolarHBondContact O-N 3.47Å; A430-A433 PolarHBondContact O-N 2.87Å; A430-M434 WeakPolarHBondContact O-CG 3.45Å; A430-M434 PolarHBondContact O-N 3.26Å; A430-P528 HydrophobicContact CB-CB 4.48Å; A430-L532 HydrophobicContact CB-CD1 4.19Å; A430-L532 HydrophobicContact CB-CD2 4.23Å
431L85.5Confident79.1Confident4 Ų444 Ų442%0.02123%0.226CC..Hα-helixtrans-64.7-41.9177-69.9168.5000112.3Y427 S428 M434 M435 T453 L456Y427-L431 HydrophobicContact CD2-CD1 3.92Å; Y427-L431 HydrophobicContact CE2-CD1 4.27Å; Y427-L431 WeakPolarHBondContact O-CG 3.45Å; Y427-L431 PolarHBondContact O-N 3.38Å; S428-L431 PolarHBondContact O-N 2.63Å; L431-M434 HydrophobicContact CD2-CE 3.55Å; L431-M434 HydrophobicContact CG-CE 4.37Å; L431-M434 PolarHBondContact O-N 2.86Å; L431-M435 PolarHBondContact O-N 3.29Å; L431-T453 HydrophobicContact CB-CG2 4.36Å; L431-L456 HydrophobicContact CD2-CB 4.04Å; L431-L456 HydrophobicContact CD2-CD1 3.5Å; L431-L456 HydrophobicContact CD2-CG 4.41Å
432T81.1Confident79.6Confident58 Ų5840.9 Ų40.936%0.35621%0.213SC..Hα-helixtrans-67.8-39.1175.147.60000111.7S428 I429 M434 M435 T436S428-T432 WeakPolarHBondContact O-CB 3.35Å; S428-T432 WeakPolarHBondContact O-CG2 3.35Å; S428-T432 PolarHBondContact O-N 2.83Å; S428-T432 PolarHBondContact O-OG1 2.89Å; I429-T432 VanDerWaalsContact CA-OG1 3.31Å; I429-T432 WeakPolarHBondContact CA-OG1 3.35Å; I429-T432 PolarHBondContact O-OG1 3.45Å; T432-M434 VanDerWaalsContact C-N 3.29Å; T432-M434 PolarHBondContact O-N 3.22Å; T432-M435 PolarHBondContact O-N 2.99Å; T432-M435 VanDerWaalsContact O-N 3.17Å; T432-T436 WeakPolarHBondContact O-CG2 3.34Å; T432-T436 PolarHBondContact O-N 3.31Å; T432-T436 PolarHBondContact O-OG1 3.47Å; T432-T436 VanDerWaalsContact O-OG1 3.07Å
433A83.7Confident80.2Confident10 Ų1038.2 Ų38.28%0.08320%0.197CC..Hα-helixtrans-59.3-38.3173.800000112.5I429 A430 T436 W437 L525 P528I429-A433 WeakPolarHBondContact O-CB 3.33Å; I429-A433 PolarHBondContact O-N 3.06Å; A430-A433 PolarHBondContact O-N 2.87Å; A433-T436 VanDerWaalsContact C-OG1 3.31Å; A433-T436 VanDerWaalsContact CA-OG1 3.23Å; A433-T436 WeakPolarHBondContact CA-OG1 3.34Å; A433-T436 PolarHBondContact O-OG1 3.24Å; A433-W437 WeakPolarHBondContact O-CB 3.29Å; A433-W437 PolarHBondContact O-N 2.92Å; A433-L525 HydrophobicContact CB-CD2 4.48Å; A433-P528 HydrophobicContact CB-CG 4.5Å
434M86.8Confident80.8Confident8 Ų838.1 Ų38.14%0.03920%0.197CC..Hα-helixtrans-68.6-41.8173.9-70.3-171.3-61.400112.4A430 L431 T432 T436 W437 A438 L449 I473A430-M434 WeakPolarHBondContact O-CG 3.45Å; A430-M434 PolarHBondContact O-N 3.26Å; L431-M434 HydrophobicContact CD2-CE 3.55Å; L431-M434 HydrophobicContact CG-CE 4.37Å; L431-M434 PolarHBondContact O-N 2.86Å; T432-M434 VanDerWaalsContact C-N 3.29Å; T432-M434 PolarHBondContact O-N 3.22Å; M434-T436 VanDerWaalsContact C-N 3.35Å; M434-W437 PolarHBondContact O-N 2.88Å; M434-A438 PolarHBondContact O-N 3.36Å; M434-L449 HydrophobicContact CG-CD2 4.41Å; M434-L449 HydrophobicContact SD-CD2 4.19Å; M434-I473 HydrophobicContact CE-CD1 4.31Å; M434-I473 HydrophobicContact SD-CD1 4.16Å; M434-I473 HydrophobicContact SD-CG2 3.6Å; M434-I473 VanDerWaalsContact SD-CG2 3.6Å
435M82.9Confident81.3Confident40 Ų4037.6 Ų37.620%0.19719%0.194CC..Hα-helixtrans-63.8-40.4174.9-167.915874.100111.6L431 T432 A438 L439 L450 T453 I708L431-M435 PolarHBondContact O-N 3.29Å; T432-M435 PolarHBondContact O-N 2.99Å; T432-M435 VanDerWaalsContact O-N 3.17Å; M435-A438 PolarHBondContact O-N 2.87Å; M435-L439 HydrophobicContact CG-CD1 4.33Å; M435-L439 WeakPolarHBondContact O-CG 3.4Å; M435-L439 PolarHBondContact O-N 3.38Å; M435-L450 HydrophobicContact CG-CD1 3.83Å; M435-L450 HydrophobicContact SD-CD1 4.27Å; M435-T453 HydrophobicContact CB-CG2 4.16Å; M435-T453 HydrophobicContact SD-CG2 4.27Å; M435-I708 HydrophobicContact CE-CG2 4.31Å
436T82.1Confident81.6Confident54 Ų5434.6 Ų34.633%0.33118%0.181SC..Hα-helixtrans-68.2-35.8175.150.20000112.3T432 A433 M434 A438 L439 L440T432-T436 WeakPolarHBondContact O-CG2 3.34Å; T432-T436 PolarHBondContact O-N 3.31Å; T432-T436 PolarHBondContact O-OG1 3.47Å; T432-T436 VanDerWaalsContact O-OG1 3.07Å; A433-T436 VanDerWaalsContact C-OG1 3.31Å; A433-T436 VanDerWaalsContact CA-OG1 3.23Å; A433-T436 WeakPolarHBondContact CA-OG1 3.34Å; A433-T436 PolarHBondContact O-OG1 3.24Å; M434-T436 VanDerWaalsContact C-N 3.35Å; T436-A438 VanDerWaalsContact C-N 3.33Å; T436-L439 PolarHBondContact O-N 3.3Å; T436-L440 VanDerWaalsContact O-CB 3.31Å; T436-L440 WeakPolarHBondContact O-CB 3.45Å; T436-L440 WeakPolarHBondContact O-CG 3.34Å; T436-L440 PolarHBondContact O-N 3.42Å
437W86.4Confident82Confident13 Ų1336 Ų365%0.04919%0.187CC..Hα-helixtrans-60.1-46.3172.5-174-59.7000110.7A433 M434 L439 L440 Y441 L449 L480 Q522 L525 T526A433-W437 WeakPolarHBondContact O-CB 3.29Å; A433-W437 PolarHBondContact O-N 2.92Å; M434-W437 PolarHBondContact O-N 2.88Å; W437-L439 VanDerWaalsContact C-N 3.33Å; W437-L439 PolarHBondContact O-N 2.83Å; W437-L440 PolarHBondContact O-N 3.24Å; W437-Y441 HydrophobicContact CG-CD2 4.39Å; W437-Y441 PolarHBondContact O-N 3.49Å; W437-L449 HydrophobicContact CB-CD1 4.34Å; W437-L449 HydrophobicContact CG-CD1 4.04Å; W437-L480 HydrophobicContact CZ2-CB 4.42Å; W437-L480 HydrophobicContact CZ2-CD1 4.48Å; W437-Q522 HydrophobicContact CH2-CB 3.62Å; W437-Q522 HydrophobicContact CH2-CG 3.62Å; W437-Q522 HydrophobicContact CZ2-CB 4.41Å; W437-Q522 HydrophobicContact CZ2-CG 3.92Å; W437-Q522 HydrophobicContact CZ3-CB 3.87Å; W437-Q522 HydrophobicContact CZ3-CG 4.05Å; W437-L525 HydrophobicContact CE3-CB 3.82Å; W437-L525 HydrophobicContact CE3-CD1 4.14Å; W437-L525 HydrophobicContact CZ3-CB 4.18Å; W437-T526 HydrophobicContact CH2-CG2 4.25Å; W437-T526 HydrophobicContact CZ3-CG2 3.75Å
438A82.2Confident82.1Confident0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-62.9-36.9179.200000113.2M434 M435 T436 G446 L449 L450 Y661M434-A438 PolarHBondContact O-N 3.36Å; M435-A438 PolarHBondContact O-N 2.87Å; T436-A438 VanDerWaalsContact C-N 3.33Å; A438-G446 WeakPolarHBondContact CB-O 3.01Å; A438-L449 HydrophobicContact CB-CB 4.19Å; A438-L450 HydrophobicContact CB-CB 3.93Å; A438-Y661 PolarHBondContact O-OH 2.85Å
439L78.1Confident82.5Confident24 Ų2437.1 Ų37.113%0.12619%0.191CC..Hα-helixtrans-77.1-36.1178.4-68.3171.5000113M435 T436 W437 F701 I708M435-L439 HydrophobicContact CG-CD1 4.33Å; M435-L439 WeakPolarHBondContact O-CG 3.4Å; M435-L439 PolarHBondContact O-N 3.38Å; T436-L439 PolarHBondContact O-N 3.3Å; W437-L439 VanDerWaalsContact C-N 3.33Å; W437-L439 PolarHBondContact O-N 2.83Å; L439-F701 HydrophobicContact CB-CD2 4.49Å; L439-F701 HydrophobicContact CD1-CD2 4.42Å; L439-F701 HydrophobicContact CD1-CE2 4.27Å; L439-I708 HydrophobicContact CD1-CD1 4.42Å
440L77.1Confident82.6Confident103 Ų10333.5 Ų33.554%0.53917%0.173SC..Hα-helixtrans-75.4-38-179.2-73.2170.7000112.7T436 W437 L525T436-L440 VanDerWaalsContact O-CB 3.31Å; T436-L440 WeakPolarHBondContact O-CB 3.45Å; T436-L440 WeakPolarHBondContact O-CG 3.34Å; T436-L440 PolarHBondContact O-N 3.42Å; W437-L440 PolarHBondContact O-N 3.24Å; L440-L525 HydrophobicContact CD1-CD1 4.11Å
441Y75.8Confident82.7Confident55 Ų5537.1 Ų37.122%0.21619%0.191CC..SBendtrans-11783.7-177.2-57.9-69.3000109.7W437 S443 I518 Q522W437-Y441 HydrophobicContact CG-CD2 4.39Å; W437-Y441 PolarHBondContact O-N 3.49Å; Y441-S443 PolarHBondContact O-N 3.23Å; Y441-S443 PolarHBondContact O-OG 2.96Å; Y441-I518 HydrophobicContact CE1-CG2 4.23Å; Y441-Q522 HydrophobicContact CD2-CG 4.49Å; Y441-Q522 HydrophobicContact CE2-CG 3.72Å
442H77.7Confident82.7Confident60 Ų6039.8 Ų39.828%0.27821%0.205SC..  trans-62.4106.6180-176.569.9000110.7Y661 F665H442-Y661 AromaticContact CE1-CE1 3.93Å; H442-Y661 AromaticContact ND1-CE1 3.9Å; H442-Y661 AromaticContact ND1-CE2 3.9Å; H442-Y661 AromaticContact ND1-CZ 3.53Å; H442-F665 AromaticContact CE1-CE1 3.98Å; H442-F665 AromaticContact CE1-CE2 3.7Å; H442-F665 AromaticContact CE1-CZ 3.66Å; H442-F665 AromaticContact NE2-CD1 3.62Å; H442-F665 AromaticContact NE2-CE1 3.54Å; H442-F665 AromaticContact NE2-CE2 3.95Å; H442-F665 AromaticContact NE2-CG 3.86Å; H442-F665 AromaticContact NE2-CZ 3.71Å
443S79.2Confident82.8Confident13 Ų1337.1 Ų37.19%0.09119%0.189CC..SBendtrans-154.9164.6178.259.80000109.5Y441 F445 G446 L447Y441-S443 PolarHBondContact O-N 3.23Å; Y441-S443 PolarHBondContact O-OG 2.96Å; S443-F445 PolarHBondContact O-N 3.04Å; S443-G446 WeakPolarHBondContact O-CA 3.42Å; S443-G446 PolarHBondContact O-N 3.29Å; S443-G446 VanDerWaalsContact O-N 3.07Å; S443-G446 PolarHBondContact OG-N 2.89Å; S443-L447 PolarHBondContact O-N 3.39Å
444I83.3Confident82.7Confident54 Ų5438.4 Ų38.428%0.27720%0.197SC..Hα-helixtrans-60.3-35.6171.1-65.6-179000110.5G446 L447 I448 F503 V504 F665I444-G446 VanDerWaalsContact C-N 3.31Å; I444-G446 PolarHBondContact O-N 2.89Å; I444-L447 WeakPolarHBondContact O-CB 3.14Å; I444-L447 PolarHBondContact O-N 2.65Å; I444-I448 PolarHBondContact O-N 3.12Å; I444-F503 HydrophobicContact CD1-CD1 4.22Å; I444-F503 HydrophobicContact CD1-CE1 4.14Å; I444-F503 WeakPolarHBondContact CD1-O 3.43Å; I444-V504 PolarHBondContact N-O 3.33Å; I444-V504 VanDerWaalsContact N-O 3.07Å; I444-F665 HydrophobicContact CG1-CE1 3.82Å; I444-F665 HydrophobicContact CG1-CZ 4.02Å
445F83.9Confident82.5Confident62 Ų6241.9 Ų41.927%0.27222%0.215SC..Hα-helixtrans-64.7-34.4174.7-63.8-53.5000112.4S443 Y476 L480 V504 I506S443-F445 PolarHBondContact O-N 3.04Å; F445-Y476 VanDerWaalsContact CB-OH 3.29Å; F445-Y476 WeakPolarHBondContact CB-OH 3.23Å; F445-Y476 WeakPolarHBondContact CD1-OH 3.22Å; F445-L480 HydrophobicContact CB-CD2 4.41Å; F445-L480 HydrophobicContact CG-CD2 4.41Å; F445-V504 HydrophobicContact CD2-CG1 3.93Å; F445-V504 HydrophobicContact CE2-CG1 3.46Å; F445-V504 VanDerWaalsContact CE2-CG1 3.46Å; F445-V504 HydrophobicContact CZ-CG1 4.15Å; F445-I506 HydrophobicContact CD2-CD1 3.88Å; F445-I506 HydrophobicContact CE2-CD1 3.56Å
446G81.9Confident82.5Confident0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-68.2-39.8170.800000113.7A438 S443 I444 I448 L449 L450A438-G446 WeakPolarHBondContact CB-O 3.01Å; S443-G446 WeakPolarHBondContact O-CA 3.42Å; S443-G446 PolarHBondContact O-N 3.29Å; S443-G446 VanDerWaalsContact O-N 3.07Å; S443-G446 PolarHBondContact OG-N 2.89Å; I444-G446 VanDerWaalsContact C-N 3.31Å; I444-G446 PolarHBondContact O-N 2.89Å; G446-I448 PolarHBondContact O-N 3.23Å; G446-L449 WeakPolarHBondContact O-CA 3.02Å; G446-L449 WeakPolarHBondContact O-CB 3.33Å; G446-L449 PolarHBondContact O-N 2.99Å; G446-L450 PolarHBondContact O-N 3.49Å
447L85.1Confident82.5Confident39 Ų3941.1 Ų41.120%0.20420%0.204CC..Hα-helixtrans-56.6-39.5177178.963.7000111.9S443 I444 L449 L450 I451 Y661S443-L447 PolarHBondContact O-N 3.39Å; I444-L447 WeakPolarHBondContact O-CB 3.14Å; I444-L447 PolarHBondContact O-N 2.65Å; L447-L449 VanDerWaalsContact C-N 3.32Å; L447-L449 PolarHBondContact O-N 2.64Å; L447-L450 PolarHBondContact O-N 3.46Å; L447-I451 HydrophobicContact CD1-CD1 3.94Å; L447-I451 HydrophobicContact CD1-CG1 4.12Å; L447-I451 HydrophobicContact CD2-CD1 4.43Å; L447-I451 HydrophobicContact CG-CD1 3.84Å; L447-I451 HydrophobicContact CG-CG1 4.39Å; L447-I451 WeakPolarHBondContact O-CG1 3.26Å; L447-I451 PolarHBondContact O-N 3.16Å; L447-Y661 HydrophobicContact CB-CE1 3.95Å; L447-Y661 HydrophobicContact CD1-CD1 3.68Å; L447-Y661 HydrophobicContact CD1-CE1 3.67Å; L447-Y661 HydrophobicContact CG-CE1 4.36Å
448I87.1Confident82.1Confident91 Ų9145.3 Ų45.347%0.46723%0.226SC..Hα-helixtrans-61.1-42.2176.6-63.9170.5000110.7I444 G446 L452I444-I448 PolarHBondContact O-N 3.12Å; G446-I448 PolarHBondContact O-N 3.23Å; I448-L452 WeakPolarHBondContact O-CB 3.46Å; I448-L452 PolarHBondContact O-N 3.05Å
449L87.1Confident82Confident5 Ų550.4 Ų50.43%0.02625%0.249CC..Hα-helixtrans-65.6-38.6175.8-66.4173.1000112.2M434 W437 A438 G446 L447 T453 Y476M434-L449 HydrophobicContact CG-CD2 4.41Å; M434-L449 HydrophobicContact SD-CD2 4.19Å; W437-L449 HydrophobicContact CB-CD1 4.34Å; W437-L449 HydrophobicContact CG-CD1 4.04Å; A438-L449 HydrophobicContact CB-CB 4.19Å; G446-L449 WeakPolarHBondContact O-CA 3.02Å; G446-L449 WeakPolarHBondContact O-CB 3.33Å; G446-L449 PolarHBondContact O-N 2.99Å; L447-L449 VanDerWaalsContact C-N 3.32Å; L447-L449 PolarHBondContact O-N 2.64Å; L449-T453 WeakPolarHBondContact O-CB 3.27Å; L449-T453 PolarHBondContact O-N 3.33Å; L449-T453 PolarHBondContact O-OG1 3.47Å; L449-Y476 HydrophobicContact CD2-CD1 4.42Å; L449-Y476 HydrophobicContact CD2-CE1 4.32Å; L449-Y476 HydrophobicContact CG-CE1 4.43Å
450L84.8Confident81.8Confident8 Ų859.9 Ų59.94%0.04228%0.283CS..Hα-helixtrans-67.9-46.8178.9-175.166.5000112.2M435 A438 G446 L447 T453 C454 Y661M435-L450 HydrophobicContact CG-CD1 3.83Å; M435-L450 HydrophobicContact SD-CD1 4.27Å; A438-L450 HydrophobicContact CB-CB 3.93Å; G446-L450 PolarHBondContact O-N 3.49Å; L447-L450 PolarHBondContact O-N 3.46Å; L450-T453 PolarHBondContact O-N 3.03Å; L450-C454 PolarHBondContact O-N 3Å; L450-C454 PolarHBondContact O-SG 3.28Å; L450-Y661 HydrophobicContact CD2-CD1 4.31Å; L450-Y661 HydrophobicContact CD2-CD2 3.75Å; L450-Y661 HydrophobicContact CD2-CE2 4.03Å; L450-Y661 HydrophobicContact CD2-CG 3.9Å
451I85.2Confident81.7Confident79 Ų7960.2 Ų60.241%0.40529%0.285SS..Hα-helixtrans-62.2-47.7176.5-69.2172.5000109.9L447 T453 C454 I455L447-I451 HydrophobicContact CD1-CD1 3.94Å; L447-I451 HydrophobicContact CD1-CG1 4.12Å; L447-I451 HydrophobicContact CD2-CD1 4.43Å; L447-I451 HydrophobicContact CG-CD1 3.84Å; L447-I451 HydrophobicContact CG-CG1 4.39Å; L447-I451 WeakPolarHBondContact O-CG1 3.26Å; L447-I451 PolarHBondContact O-N 3.16Å; I451-T453 PolarHBondContact O-N 3.17Å; I451-C454 PolarHBondContact O-N 2.92Å; I451-I455 HydrophobicContact CG2-CD1 3.64Å; I451-I455 HydrophobicContact CG2-CG1 4.35Å; I451-I455 WeakPolarHBondContact O-CB 3.35Å; I451-I455 VanDerWaalsContact O-CG1 3.32Å; I451-I455 WeakPolarHBondContact O-CG1 3.34Å; I451-I455 PolarHBondContact O-N 3.35Å
452L85.5Confident82Confident60 Ų6058.7 Ų58.731%0.31428%0.282SS..Hα-helixtrans-57.7-39.6177.5-172.667.6000110.6I448 L456 I473I448-L452 WeakPolarHBondContact O-CB 3.46Å; I448-L452 PolarHBondContact O-N 3.05Å; L452-L456 HydrophobicContact CD1-CD1 4.37Å; L452-L456 HydrophobicContact CG-CD1 3.91Å; L452-L456 HydrophobicContact CG-CG 4.42Å; L452-L456 VanDerWaalsContact O-CB 3.27Å; L452-L456 WeakPolarHBondContact O-CB 3.48Å; L452-L456 WeakPolarHBondContact O-CG 3.32Å; L452-L456 PolarHBondContact O-N 3.43Å; L452-I473 HydrophobicContact CD2-CD1 4.5Å; L452-I473 HydrophobicContact CD2-CG1 4.5Å
453T83.8Confident82.2Confident1 Ų158.8 Ų58.81%0.00628%0.28CS..Hα-helixtrans-68.8-46.2177.7-54.20000112.5L431 M435 L449 L450 I451 I455 L456 W457L431-T453 HydrophobicContact CB-CG2 4.36Å; M435-T453 HydrophobicContact CB-CG2 4.16Å; M435-T453 HydrophobicContact SD-CG2 4.27Å; L449-T453 WeakPolarHBondContact O-CB 3.27Å; L449-T453 PolarHBondContact O-N 3.33Å; L449-T453 PolarHBondContact O-OG1 3.47Å; L450-T453 PolarHBondContact O-N 3.03Å; I451-T453 PolarHBondContact O-N 3.17Å; T453-I455 VanDerWaalsContact C-N 3.31Å; T453-I455 PolarHBondContact O-N 3.41Å; T453-L456 PolarHBondContact O-N 3.1Å; T453-W457 VanDerWaalsContact O-CD1 3.29Å; T453-W457 PolarHBondContact O-N 3.03Å; T453-W457 VanDerWaalsContact O-N 3.08Å
454C80Confident82.3Confident38 Ų3866.3 Ų66.326%0.25731%0.311SS..Hα-helixtrans-59.3-42.6177.6-67.30000111.7L450 I451 W457 I458L450-C454 PolarHBondContact O-N 3Å; L450-C454 PolarHBondContact O-SG 3.28Å; I451-C454 PolarHBondContact O-N 2.92Å; C454-W457 PolarHBondContact O-N 3.26Å; C454-I458 WeakPolarHBondContact O-CG1 3.28Å; C454-I458 PolarHBondContact O-N 3.47Å
455I82.9Confident82.4Confident81 Ų8165.6 Ų65.642%0.41531%0.31SS..Hα-helixtrans-65.7-45.9176.2-66.6172.3000110.8I451 T453 W457 I458 F459I451-I455 HydrophobicContact CG2-CD1 3.64Å; I451-I455 HydrophobicContact CG2-CG1 4.35Å; I451-I455 WeakPolarHBondContact O-CB 3.35Å; I451-I455 VanDerWaalsContact O-CG1 3.32Å; I451-I455 WeakPolarHBondContact O-CG1 3.34Å; I451-I455 PolarHBondContact O-N 3.35Å; T453-I455 VanDerWaalsContact C-N 3.31Å; T453-I455 PolarHBondContact O-N 3.41Å; I455-W457 PolarHBondContact O-N 3.13Å; I455-I458 PolarHBondContact O-N 3.17Å; I455-F459 HydrophobicContact CG2-CD2 4.44Å; I455-F459 HydrophobicContact CG2-CE2 3.65Å; I455-F459 HydrophobicContact CG2-CZ 4.12Å; I455-F459 WeakPolarHBondContact O-CD2 3.43Å
456L83.9Confident82.5Confident6 Ų662.8 Ų62.83%0.03130%0.298CS..Hα-helixtrans-61.3-26.1179.7-74.2173.8000113L431 L452 T453 T462 S465L431-L456 HydrophobicContact CD2-CB 4.04Å; L431-L456 HydrophobicContact CD2-CD1 3.5Å; L431-L456 HydrophobicContact CD2-CG 4.41Å; L452-L456 HydrophobicContact CD1-CD1 4.37Å; L452-L456 HydrophobicContact CG-CD1 3.91Å; L452-L456 HydrophobicContact CG-CG 4.42Å; L452-L456 VanDerWaalsContact O-CB 3.27Å; L452-L456 WeakPolarHBondContact O-CB 3.48Å; L452-L456 WeakPolarHBondContact O-CG 3.32Å; L452-L456 PolarHBondContact O-N 3.43Å; T453-L456 PolarHBondContact O-N 3.1Å; L456-T462 VanDerWaalsContact O-CG2 3.3Å; L456-T462 WeakPolarHBondContact O-CG2 3.32Å; L456-S465 WeakPolarHBondContact CD2-OG 3.4Å
457W81Confident82.7Confident71 Ų7164.2 Ų64.227%0.26931%0.305SS..Hα-helixtrans-82-30176.8-89.175.7000114.9T453 C454 I455 F459 K719T453-W457 VanDerWaalsContact O-CD1 3.29Å; T453-W457 PolarHBondContact O-N 3.03Å; T453-W457 VanDerWaalsContact O-N 3.08Å; C454-W457 PolarHBondContact O-N 3.26Å; I455-W457 PolarHBondContact O-N 3.13Å; W457-F459 VanDerWaalsContact C-N 3.29Å; W457-F459 PolarHBondContact O-N 3.12Å; W457-K719 PolarHBondContact O-NZ 2.86Å
458I79Confident82.7Confident101 Ų10165.7 Ų65.752%0.51832%0.323SS..Hα-helixtrans-68.1-30.9178.9-69.6166.2000110.9C454 I455C454-I458 WeakPolarHBondContact O-CG1 3.28Å; C454-I458 PolarHBondContact O-N 3.47Å; I455-I458 PolarHBondContact O-N 3.17Å
459F79.3Confident82.7Confident108 Ų10865.4 Ų65.447%0.47432%0.321SS..SBendtrans-60.9150.1178.4-70.9-57.7000113.7I455 W457 K719I455-F459 HydrophobicContact CG2-CD2 4.44Å; I455-F459 HydrophobicContact CG2-CE2 3.65Å; I455-F459 HydrophobicContact CG2-CZ 4.12Å; I455-F459 WeakPolarHBondContact O-CD2 3.43Å; W457-F459 VanDerWaalsContact C-N 3.29Å; W457-F459 PolarHBondContact O-N 3.12Å; F459-K719 PolarHBondContact O-NZ 3.4Å; F459-K719 VanDerWaalsContact O-NZ 3.13Å
460R74.1Confident82.6Confident222 Ų22265.2 Ų65.284%0.83832%0.319SS*.SBendtrans-66.8-40.9178.5-156.1178.586.5157.84.1112.6
461D76.3Confident82.6Confident111 Ų11167.3 Ų67.359%0.59433%0.333SS*.  trans-116.580.2-178-76.3-28.2000113.1R463D461-R463 PolarHBondContact O-N 3.24Å
462T81Confident82.8Confident23 Ų2368.5 Ų68.514%0.14134%0.34CS..Hα-helixtrans-64.2-40.6-172.156.10000114.7Y427 L456 S465 S466Y427-T462 VanDerWaalsContact CE2-OG1 3.24Å; Y427-T462 WeakPolarHBondContact CE2-OG1 3.28Å; Y427-T462 PolarHBondContact OH-OG1 2.98Å; Y427-T462 VanDerWaalsContact OH-OG1 3.11Å; L456-T462 VanDerWaalsContact O-CG2 3.3Å; L456-T462 WeakPolarHBondContact O-CG2 3.32Å; T462-S465 PolarHBondContact O-N 2.94Å; T462-S466 PolarHBondContact O-N 2.96Å; T462-S466 VanDerWaalsContact O-N 3.16Å
463R81.9Confident82.9Confident61 Ų6166.2 Ų66.223%0.2333%0.327CS..Hα-helixtrans-61.8-47.7-176-177.3175.4170.8-131.9-8.7113.4Y427 D461 S465 S466 F467 E539Y427-R463 HydrophobicContact CD1-CB 3.81Å; Y427-R463 HydrophobicContact CD1-CG 3.69Å; Y427-R463 HydrophobicContact CD2-CB 4.32Å; Y427-R463 HydrophobicContact CE1-CB 3.74Å; Y427-R463 HydrophobicContact CE1-CG 4.05Å; Y427-R463 HydrophobicContact CE2-CB 4.27Å; Y427-R463 HydrophobicContact CG-CB 4.1Å; Y427-R463 HydrophobicContact CG-CG 4.1Å; D461-R463 PolarHBondContact O-N 3.24Å; R463-S465 VanDerWaalsContact C-N 3.32Å; R463-S465 PolarHBondContact O-N 3.48Å; R463-S466 PolarHBondContact O-N 2.97Å; R463-S466 PolarHBondContact O-OG 2.95Å; R463-F467 HydrophobicContact CG-CD2 4.36Å; R463-F467 HydrophobicContact CG-CE1 4.47Å; R463-F467 HydrophobicContact CG-CE2 3.99Å; R463-F467 HydrophobicContact CG-CZ 4.06Å; R463-F467 VanDerWaalsContact NE-CE2 3.34Å; R463-F467 PolarHBondContact O-N 2.9Å; R463-F467 VanDerWaalsContact O-N 3.15Å; R463-E539 IonicContact NH2-OE1 2.82Å; R463-E539 PolarHBondContact NH2-OE1 3.45Å; R463-E539 VanDerWaalsContact NH2-OE1 3.1Å; R463-E539 IonicContact NH2-OE2 2.69Å; R463-E539 PolarHBondContact NH2-OE2 3.41Å; R463-E539 VanDerWaalsContact NH2-OE2 3.09Å
464K82.3Confident83Confident171 Ų17166.4 Ų66.474%0.74333%0.328SS*.Hα-helixtrans-63.1-41.1-176.8-172.7-179.7178.7-175.80111.3A468K464-A468 PolarHBondContact O-N 3.25Å
465S84.6Confident83.4Confident39 Ų3970.8 Ų70.827%0.27335%0.347SS..Hα-helixtrans-62.6-44.6176.4-169.10000111.7L456 T462 R463 F467 A468 M469L456-S465 WeakPolarHBondContact CD2-OG 3.4Å; T462-S465 PolarHBondContact O-N 2.94Å; R463-S465 VanDerWaalsContact C-N 3.32Å; R463-S465 PolarHBondContact O-N 3.48Å; S465-F467 PolarHBondContact O-N 3.45Å; S465-A468 PolarHBondContact O-N 3.18Å; S465-M469 PolarHBondContact O-N 3.28Å
466S84.8Confident83.8Confident3 Ų369.8 Ų69.82%0.02134%0.338CS..Hα-helixtrans-62.8-39.818070.50000113.9Y427 T462 R463 M469 A470Y427-S466 WeakPolarHBondContact CB-OG 3.32Å; T462-S466 PolarHBondContact O-N 2.96Å; T462-S466 VanDerWaalsContact O-N 3.16Å; R463-S466 PolarHBondContact O-N 2.97Å; R463-S466 PolarHBondContact O-OG 2.95Å; S466-M469 PolarHBondContact O-N 3.18Å; S466-A470 PolarHBondContact O-N 3.31Å
467F86.4Confident84Confident31 Ų3169.7 Ų69.714%0.13634%0.338CS..Hα-helixtrans-71.3-30.2179.3-73.2-5.7000113.2R463 S465 L532 A536 E539R463-F467 HydrophobicContact CG-CD2 4.36Å; R463-F467 HydrophobicContact CG-CE1 4.47Å; R463-F467 HydrophobicContact CG-CE2 3.99Å; R463-F467 HydrophobicContact CG-CZ 4.06Å; R463-F467 VanDerWaalsContact NE-CE2 3.34Å; R463-F467 PolarHBondContact O-N 2.9Å; R463-F467 VanDerWaalsContact O-N 3.15Å; S465-F467 PolarHBondContact O-N 3.45Å; F467-L532 HydrophobicContact CD1-CD1 3.68Å; F467-L532 HydrophobicContact CD1-CG 4.25Å; F467-L532 HydrophobicContact CE1-CD1 3.54Å; F467-L532 HydrophobicContact CE1-CG 4.45Å; F467-A536 HydrophobicContact CB-CB 4.38Å; F467-E539 WeakPolarHBondContact CE2-OE2 3.45Å
468A85.4Confident84.3Confident70 Ų7068.1 Ų68.158%0.57933%0.333SS*.Hα-helixtrans-67.1-38.3176.300000111.8K464 S465K464-A468 PolarHBondContact O-N 3.25Å; S465-A468 PolarHBondContact O-N 3.18Å
469M87.4Confident84.8Confident85 Ų8569 Ų6942%0.41933%0.333SS..Hα-helixtrans-87.4-9.4-178.2-66.9-64.5162.100114.1S465 S466 I472 I473S465-M469 PolarHBondContact O-N 3.28Å; S466-M469 PolarHBondContact O-N 3.18Å; M469-I472 PolarHBondContact O-N 3.24Å; M469-I472 VanDerWaalsContact O-N 3.1Å; M469-I472 HydrophobicContact SD-CD1 4.04Å; M469-I473 HydrophobicContact CB-CD1 3.86Å; M469-I473 HydrophobicContact CB-CG1 4.32Å; M469-I473 WeakPolarHBondContact O-CG1 3.27Å; M469-I473 PolarHBondContact O-N 2.89Å
470A85.8Confident85.2Confident0 Ų064.7 Ų64.70%032%0.316CS..Hα-helixtrans-48.7-47.2-175.400000116.5S466 I472 I473 L474 L532S466-A470 PolarHBondContact O-N 3.31Å; A470-I472 VanDerWaalsContact C-N 3.35Å; A470-I472 PolarHBondContact O-N 3.19Å; A470-I473 PolarHBondContact O-N 3.45Å; A470-L474 PolarHBondContact O-N 3.4Å; A470-L532 HydrophobicContact CB-CD2 3.76Å; A470-L532 HydrophobicContact CB-CG 3.94Å
471P84.8Confident85.8Confident52 Ų5254.1 Ų54.134%0.33828%0.276SS..Hα-helixtrans-67.5-34.3-179.926-33.8000112.9L474 M475 L533P471-L474 PolarHBondContact O-N 2.7Å; P471-M475 WeakPolarHBondContact O-CG 3.39Å; P471-M475 PolarHBondContact O-N 3.35Å; P471-M475 VanDerWaalsContact O-N 3.07Å; P471-L533 HydrophobicContact CB-CD1 4.01Å
472I88.3Confident86.3Confident105 Ų10552.3 Ų52.354%0.53827%0.265SS..Hα-helixtrans-68.7-45.1178.3-60.8171.3000109.3M469 A470 L474 M475 Y476M469-I472 PolarHBondContact O-N 3.24Å; M469-I472 VanDerWaalsContact O-N 3.1Å; M469-I472 HydrophobicContact SD-CD1 4.04Å; A470-I472 VanDerWaalsContact C-N 3.35Å; A470-I472 PolarHBondContact O-N 3.19Å; I472-L474 VanDerWaalsContact C-N 3.33Å; I472-L474 PolarHBondContact O-N 3.49Å; I472-M475 PolarHBondContact O-N 2.85Å; I472-Y476 WeakPolarHBondContact O-CB 3.45Å; I472-Y476 PolarHBondContact O-N 3.33Å
473I87.2Confident86.6Confident11 Ų1154 Ų546%0.05627%0.273CS..Hα-helixtrans-59.3-44176.2-65167.7000110.5M434 L452 M469 A470 Y476 I477 V529M434-I473 HydrophobicContact CE-CD1 4.31Å; M434-I473 HydrophobicContact SD-CD1 4.16Å; M434-I473 HydrophobicContact SD-CG2 3.6Å; M434-I473 VanDerWaalsContact SD-CG2 3.6Å; L452-I473 HydrophobicContact CD2-CD1 4.5Å; L452-I473 HydrophobicContact CD2-CG1 4.5Å; M469-I473 HydrophobicContact CB-CD1 3.86Å; M469-I473 HydrophobicContact CB-CG1 4.32Å; M469-I473 WeakPolarHBondContact O-CG1 3.27Å; M469-I473 PolarHBondContact O-N 2.89Å; A470-I473 PolarHBondContact O-N 3.45Å; I473-Y476 PolarHBondContact O-N 3.31Å; I473-I477 HydrophobicContact CG2-CD1 3.81Å; I473-I477 WeakPolarHBondContact O-CB 3.43Å; I473-I477 WeakPolarHBondContact O-CG1 3.5Å; I473-I477 PolarHBondContact O-N 3.35Å; I473-V529 HydrophobicContact CG2-CG1 3.86Å
474L87.6Confident86.8Confident5 Ų552.5 Ų52.53%0.02627%0.268CS..Hα-helixtrans-65.9-44.5180-173.667.5000112.5A470 P471 I472 Y476 I477 E478 V529 F530 L533A470-L474 PolarHBondContact O-N 3.4Å; P471-L474 PolarHBondContact O-N 2.7Å; I472-L474 VanDerWaalsContact C-N 3.33Å; I472-L474 PolarHBondContact O-N 3.49Å; L474-Y476 VanDerWaalsContact C-N 3.31Å; L474-Y476 PolarHBondContact O-N 3.17Å; L474-I477 PolarHBondContact O-N 3.37Å; L474-E478 HydrophobicContact CG-CG 4.42Å; L474-E478 PolarHBondContact O-N 2.97Å; L474-V529 HydrophobicContact CB-CG1 4.2Å; L474-V529 HydrophobicContact CD1-CB 4.37Å; L474-V529 HydrophobicContact CD1-CG1 3.95Å; L474-F530 HydrophobicContact CD1-CD1 3.66Å; L474-F530 HydrophobicContact CD1-CD2 4.24Å; L474-F530 HydrophobicContact CD1-CE1 3.72Å; L474-F530 HydrophobicContact CD1-CE2 4.28Å; L474-F530 HydrophobicContact CD1-CG 3.94Å; L474-F530 HydrophobicContact CD1-CZ 4.02Å; L474-F530 HydrophobicContact CD2-CD1 3.82Å; L474-F530 HydrophobicContact CD2-CE1 3.99Å; L474-F530 HydrophobicContact CG-CD1 4.35Å; L474-F530 HydrophobicContact CG-CE1 4.28Å; L474-L533 HydrophobicContact CD2-CB 4.24Å; L474-L533 HydrophobicContact CD2-CD2 3.4Å; L474-L533 HydrophobicContact CD2-CG 4.45Å
475M87.8Confident87Confident130 Ų13044.8 Ų44.864%0.6424%0.235SC*.Hα-helixtrans-62.1-40.2177-71.4-160.3-53.200111.9P471 I472 I477 E478 F479P471-M475 WeakPolarHBondContact O-CG 3.39Å; P471-M475 PolarHBondContact O-N 3.35Å; P471-M475 VanDerWaalsContact O-N 3.07Å; I472-M475 PolarHBondContact O-N 2.85Å; M475-I477 VanDerWaalsContact C-N 3.33Å; M475-I477 PolarHBondContact O-N 3.28Å; M475-E478 PolarHBondContact O-N 3.45Å; M475-F479 WeakPolarHBondContact O-CB 3.25Å; M475-F479 PolarHBondContact O-N 3.32Å
476Y90.4Very high87Confident60 Ų6048.9 Ų48.924%0.23525%0.248CC..Hα-helixtrans-61.7-42.7175.9-176.3-110.6000111.6F445 L449 I472 I473 L474 F479 L480F445-Y476 VanDerWaalsContact CB-OH 3.29Å; F445-Y476 WeakPolarHBondContact CB-OH 3.23Å; F445-Y476 WeakPolarHBondContact CD1-OH 3.22Å; L449-Y476 HydrophobicContact CD2-CD1 4.42Å; L449-Y476 HydrophobicContact CD2-CE1 4.32Å; L449-Y476 HydrophobicContact CG-CE1 4.43Å; I472-Y476 WeakPolarHBondContact O-CB 3.45Å; I472-Y476 PolarHBondContact O-N 3.33Å; I473-Y476 PolarHBondContact O-N 3.31Å; L474-Y476 VanDerWaalsContact C-N 3.31Å; L474-Y476 PolarHBondContact O-N 3.17Å; Y476-F479 PolarHBondContact O-N 3.48Å; Y476-L480 HydrophobicContact CD1-CD1 4.04Å; Y476-L480 HydrophobicContact CE1-CD1 3.64Å; Y476-L480 HydrophobicContact CE1-CG 4.45Å; Y476-L480 WeakPolarHBondContact O-CG 3.42Å; Y476-L480 PolarHBondContact O-N 3.37Å; Y476-L480 VanDerWaalsContact O-N 3.11Å
477I88.1Confident86.9Confident4 Ų449.6 Ų49.62%0.02125%0.252CS..Hα-helixtrans-71.3-39.2178.6-73.2175.3000112.5I473 L474 M475 F479 L480 L481 T526 V529I473-I477 HydrophobicContact CG2-CD1 3.81Å; I473-I477 WeakPolarHBondContact O-CB 3.43Å; I473-I477 WeakPolarHBondContact O-CG1 3.5Å; I473-I477 PolarHBondContact O-N 3.35Å; L474-I477 PolarHBondContact O-N 3.37Å; M475-I477 VanDerWaalsContact C-N 3.33Å; M475-I477 PolarHBondContact O-N 3.28Å; I477-F479 VanDerWaalsContact C-N 3.32Å; I477-F479 PolarHBondContact O-N 3.12Å; I477-L480 PolarHBondContact O-N 3.33Å; I477-L481 PolarHBondContact O-N 2.94Å; I477-T526 HydrophobicContact CG2-CG2 3.18Å; I477-V529 HydrophobicContact CD1-CB 4.36Å; I477-V529 HydrophobicContact CD1-CG1 4.13Å; I477-V529 HydrophobicContact CD1-CG2 3.82Å
478E87.8Confident86.8Confident38 Ų3848.4 Ų48.418%0.17825%0.247CC..Hα-helixtrans-62.1-40.1173.9-78-178170.200111.4T221 L474 M475 L481 I482 F530T221-E478 PolarHBondContact OG1-OE1 2.92Å; L474-E478 HydrophobicContact CG-CG 4.42Å; L474-E478 PolarHBondContact O-N 2.97Å; M475-E478 PolarHBondContact O-N 3.45Å; E478-L481 PolarHBondContact O-N 3.43Å; E478-I482 WeakPolarHBondContact O-CG1 3.08Å; E478-I482 PolarHBondContact O-N 3.49Å; E478-F530 HydrophobicContact CG-CZ 4.26Å; E478-F530 WeakPolarHBondContact OE1-CE1 3.37Å
479F89.3Confident86.5Confident119 Ų11945.9 Ų45.952%0.52222%0.224SC..Hα-helixtrans-60.4-46.5173.4170.1-100.9000111.9M475 Y476 I477 L481 I482 L483M475-F479 WeakPolarHBondContact O-CB 3.25Å; M475-F479 PolarHBondContact O-N 3.32Å; Y476-F479 PolarHBondContact O-N 3.48Å; I477-F479 VanDerWaalsContact C-N 3.32Å; I477-F479 PolarHBondContact O-N 3.12Å; F479-L481 VanDerWaalsContact C-N 3.33Å; F479-L481 PolarHBondContact O-N 2.88Å; F479-I482 PolarHBondContact O-N 2.93Å; F479-L483 HydrophobicContact CE1-CD2 4.43Å; F479-L483 WeakPolarHBondContact O-CB 3.26Å; F479-L483 PolarHBondContact O-N 2.89Å
480L87.7Confident85.9Confident19 Ų1947 Ų4710%0.09923%0.231CC..Hα-helixtrans-62.1-38.4176.9-68.5176.1000112.3W437 F445 Y476 I477 L483 Q484W437-L480 HydrophobicContact CZ2-CB 4.42Å; W437-L480 HydrophobicContact CZ2-CD1 4.48Å; F445-L480 HydrophobicContact CB-CD2 4.41Å; F445-L480 HydrophobicContact CG-CD2 4.41Å; Y476-L480 HydrophobicContact CD1-CD1 4.04Å; Y476-L480 HydrophobicContact CE1-CD1 3.64Å; Y476-L480 HydrophobicContact CE1-CG 4.45Å; Y476-L480 WeakPolarHBondContact O-CG 3.42Å; Y476-L480 PolarHBondContact O-N 3.37Å; Y476-L480 VanDerWaalsContact O-N 3.11Å; I477-L480 PolarHBondContact O-N 3.33Å; L480-L483 PolarHBondContact O-N 3.45Å; L480-Q484 WeakPolarHBondContact O-CB 3.16Å; L480-Q484 PolarHBondContact O-N 3.49Å
481L87Confident85.4Confident0 Ų048.4 Ų48.40%024%0.238CC..Hα-helixtrans-65-42.9176.2-89.7166.8000113.1I477 E478 F479 Q484 Y485 Q522 T523 T526I477-L481 PolarHBondContact O-N 2.94Å; E478-L481 PolarHBondContact O-N 3.43Å; F479-L481 VanDerWaalsContact C-N 3.33Å; F479-L481 PolarHBondContact O-N 2.88Å; L481-Q484 PolarHBondContact O-N 2.91Å; L481-Y485 PolarHBondContact O-N 2.98Å; L481-Q522 HydrophobicContact CD2-CB 4.01Å; L481-T523 HydrophobicContact CD2-CG2 3.74Å; L481-T526 HydrophobicContact CD1-CG2 3.49Å; L481-T526 VanDerWaalsContact CD1-CG2 3.49Å; L481-T526 HydrophobicContact CG-CG2 4.14Å
482I87.4Confident84.8Confident72 Ų7249.2 Ų49.237%0.36924%0.238SC..Hα-helixtrans-66.2-44.2177.3-68.2168.1000109.9L217 E478 F479 Q484 Y485 F486L217-I482 HydrophobicContact CD1-CG1 4.21Å; E478-I482 WeakPolarHBondContact O-CG1 3.08Å; E478-I482 PolarHBondContact O-N 3.49Å; F479-I482 PolarHBondContact O-N 2.93Å; I482-Q484 VanDerWaalsContact C-N 3.34Å; I482-Q484 PolarHBondContact O-N 3.22Å; I482-Y485 PolarHBondContact O-N 3.27Å; I482-F486 HydrophobicContact CG2-CD2 3.99Å; I482-F486 HydrophobicContact CG2-CE2 4.07Å; I482-F486 WeakPolarHBondContact O-CD2 3.25Å; I482-F486 PolarHBondContact O-N 3.49Å; I482-F486 VanDerWaalsContact O-N 3.1Å
483L86.2Confident83.9Confident59 Ų5948.1 Ų48.131%0.30924%0.244SC..Hα-helixtrans-58.6-46.3176.6-17763.8000111F479 L480 Y485 F486 L487F479-L483 HydrophobicContact CE1-CD2 4.43Å; F479-L483 WeakPolarHBondContact O-CB 3.26Å; F479-L483 PolarHBondContact O-N 2.89Å; L480-L483 PolarHBondContact O-N 3.45Å; L483-Y485 PolarHBondContact O-N 3.43Å; L483-F486 PolarHBondContact O-N 3.21Å; L483-L487 HydrophobicContact CD1-CD1 4.42Å; L483-L487 HydrophobicContact CG-CD1 4.04Å; L483-L487 VanDerWaalsContact O-CG 3.32Å; L483-L487 WeakPolarHBondContact O-CG 3.12Å; L483-L487 PolarHBondContact O-N 2.8Å
484Q85.9Confident83.1Confident29 Ų2951.7 Ų51.714%0.13626%0.26CS..Hα-helixtrans-62.4-40.8176-171.168.141.200112.4L480 L481 I482 F486 L487 S488 I518 L519L480-Q484 WeakPolarHBondContact O-CB 3.16Å; L480-Q484 PolarHBondContact O-N 3.49Å; L481-Q484 PolarHBondContact O-N 2.91Å; I482-Q484 VanDerWaalsContact C-N 3.34Å; I482-Q484 PolarHBondContact O-N 3.22Å; Q484-F486 VanDerWaalsContact C-N 3.31Å; Q484-F486 PolarHBondContact O-N 3.43Å; Q484-L487 PolarHBondContact O-N 3.45Å; Q484-S488 WeakPolarHBondContact O-CB 3.48Å; Q484-S488 PolarHBondContact O-N 3.34Å; Q484-S488 PolarHBondContact O-OG 2.81Å; Q484-I518 HydrophobicContact CG-CG2 4Å; Q484-L519 HydrophobicContact CB-CD2 4.27Å; Q484-L519 HydrophobicContact CG-CD2 3.97Å
485Y87.3Confident82.3Confident9 Ų956.5 Ų56.54%0.03529%0.285CS..Hα-helixtrans-61.8-38.3178.5-172.3-89.4000112G201 P205 S206 S210 F213 L481 I482 L483 S488 M489 L519G201-Y485 WeakPolarHBondContact O-CE2 3.48Å; G201-Y485 PolarHBondContact O-OH 3.2Å; P205-Y485 HydrophobicContact CB-CE2 4.1Å; S206-Y485 PolarHBondContact O-OH 3.01Å; S210-Y485 VanDerWaalsContact CA-OH 3.3Å; S210-Y485 WeakPolarHBondContact CA-OH 3.35Å; S210-Y485 PolarHBondContact N-OH 3.12Å; S210-Y485 VanDerWaalsContact N-OH 3.16Å; F213-Y485 HydrophobicContact CB-CE2 4.06Å; F213-Y485 AromaticContact CD1-CD2 3.71Å; F213-Y485 HydrophobicContact CD1-CD2 3.71Å; F213-Y485 AromaticContact CD1-CE2 3.99Å; F213-Y485 HydrophobicContact CD1-CE2 3.99Å; F213-Y485 HydrophobicContact CD1-CG 4.02Å; F213-Y485 HydrophobicContact CD2-CD2 4.4Å; F213-Y485 HydrophobicContact CD2-CE2 4.41Å; F213-Y485 AromaticContact CE1-CD2 3.85Å; F213-Y485 HydrophobicContact CE1-CD2 3.85Å; F213-Y485 HydrophobicContact CE1-CG 4.04Å; F213-Y485 HydrophobicContact CG-CD2 4Å; F213-Y485 AromaticContact CG-CE2 3.91Å; F213-Y485 HydrophobicContact CG-CE2 3.91Å; F213-Y485 HydrophobicContact CZ-CD2 4.27Å; L481-Y485 PolarHBondContact O-N 2.98Å; I482-Y485 PolarHBondContact O-N 3.27Å; L483-Y485 PolarHBondContact O-N 3.43Å; Y485-S488 PolarHBondContact O-N 3.42Å; Y485-M489 HydrophobicContact CD1-CE 3.99Å; Y485-M489 HydrophobicContact CE1-CE 3.48Å; Y485-M489 VanDerWaalsContact CE1-CE 3.48Å; Y485-L519 HydrophobicContact CD2-CD1 3.97Å; Y485-L519 HydrophobicContact CD2-CD2 4.42Å
486F85.2Confident81.4Confident126 Ų12652 Ų5255%0.55327%0.272SS*.Hα-helixtrans-68.5-44173.5-90.3-78.2000112.9I482 L483 Q484 S488 M489I482-F486 HydrophobicContact CG2-CD2 3.99Å; I482-F486 HydrophobicContact CG2-CE2 4.07Å; I482-F486 WeakPolarHBondContact O-CD2 3.25Å; I482-F486 PolarHBondContact O-N 3.49Å; I482-F486 VanDerWaalsContact O-N 3.1Å; L483-F486 PolarHBondContact O-N 3.21Å; Q484-F486 VanDerWaalsContact C-N 3.31Å; Q484-F486 PolarHBondContact O-N 3.43Å; F486-S488 PolarHBondContact O-N 2.75Å; F486-S488 VanDerWaalsContact O-N 3.14Å; F486-M489 PolarHBondContact O-N 2.92Å; F486-M489 VanDerWaalsContact O-N 3.15Å
487L81.9Confident80.2Confident18 Ų1854.7 Ų54.79%0.09429%0.29CS..Hα-helixtrans-65-12.8175.9-67.9168.1000113.3L483 Q484 M501 I506 W508 T509L483-L487 HydrophobicContact CD1-CD1 4.42Å; L483-L487 HydrophobicContact CG-CD1 4.04Å; L483-L487 VanDerWaalsContact O-CG 3.32Å; L483-L487 WeakPolarHBondContact O-CG 3.12Å; L483-L487 PolarHBondContact O-N 2.8Å; Q484-L487 PolarHBondContact O-N 3.45Å; L487-M501 HydrophobicContact CD2-CE 4.26Å; L487-I506 HydrophobicContact CD1-CG2 3.48Å; L487-I506 VanDerWaalsContact CD1-CG2 3.48Å; L487-W508 HydrophobicContact CB-CE3 4.43Å; L487-W508 HydrophobicContact CD2-CD2 4.05Å; L487-W508 HydrophobicContact CD2-CE3 3.77Å; L487-W508 HydrophobicContact CD2-CH2 4Å; L487-W508 HydrophobicContact CD2-CZ2 4.27Å; L487-W508 HydrophobicContact CD2-CZ3 3.75Å; L487-T509 PolarHBondContact O-N 3.39Å
488S83.5Confident79.5Confident6 Ų656.8 Ų56.84%0.04230%0.304CS..THydrogen-bonded Turntrans-95.7-3.2177.6-52.50000114.3P205 Q484 Y485 F486 T509P205-S488 WeakPolarHBondContact CG-O 3.28Å; Q484-S488 WeakPolarHBondContact O-CB 3.48Å; Q484-S488 PolarHBondContact O-N 3.34Å; Q484-S488 PolarHBondContact O-OG 2.81Å; Y485-S488 PolarHBondContact O-N 3.42Å; F486-S488 PolarHBondContact O-N 2.75Å; F486-S488 VanDerWaalsContact O-N 3.14Å; S488-T509 WeakPolarHBondContact CA-OG1 3.5Å; S488-T509 PolarHBondContact OG-OG1 2.99Å
489M80.6Confident78.7Confident17 Ų1759.2 Ų59.28%0.08433%0.331CS..SBendtrans-81.4149.7175.4-68.3-169.3175.500111.9Y485 F486 I491Y485-M489 HydrophobicContact CD1-CE 3.99Å; Y485-M489 HydrophobicContact CE1-CE 3.48Å; Y485-M489 VanDerWaalsContact CE1-CE 3.48Å; F486-M489 PolarHBondContact O-N 2.92Å; F486-M489 VanDerWaalsContact O-N 3.15Å; M489-I491 HydrophobicContact CB-CD1 3.77Å; M489-I491 HydrophobicContact CB-CG1 3.88Å; M489-I491 HydrophobicContact CG-CD1 4.5Å; M489-I491 PolarHBondContact O-N 3.43Å; M489-I491 HydrophobicContact SD-CD1 3.92Å
490D74.2Confident78.2Confident107 Ų10761.1 Ų61.157%0.57234%0.335SS*.SBendtrans-77.961.1179.9-168.318.6000112.8
491I75.1Confident77.5Confident31 Ų3160.8 Ų60.816%0.15933%0.333CS..  trans-120.17.3-177.7-44.2171.3000111.1M489 A493 E494 I495M489-I491 HydrophobicContact CB-CD1 3.77Å; M489-I491 HydrophobicContact CB-CG1 3.88Å; M489-I491 HydrophobicContact CG-CD1 4.5Å; M489-I491 PolarHBondContact O-N 3.43Å; M489-I491 HydrophobicContact SD-CD1 3.92Å; I491-A493 PolarHBondContact O-N 3.27Å; I491-A493 VanDerWaalsContact O-N 3.14Å; I491-E494 WeakPolarHBondContact CA-OE2 3.16Å; I491-E494 HydrophobicContact CG2-CB 4.18Å; I491-E494 PolarHBondContact O-N 2.95Å; I491-I495 HydrophobicContact CB-CD1 4.3Å; I491-I495 HydrophobicContact CG2-CD1 3.85Å; I491-I495 HydrophobicContact CG2-CG1 4.16Å
492H71.9Confident76.7Confident69 Ų6966.8 Ų66.832%0.31937%0.365SS..Hα-helixtrans-54.6-37-176179.1-77.9000112.6E494 G496 D497 W508H492-E494 VanDerWaalsContact C-N 3.28Å; H492-E494 PolarHBondContact O-N 3.29Å; H492-G496 PolarHBondContact O-N 3.27Å; H492-D497 IonicContact NE2-OD1 3.87Å; H492-W508 AromaticContact CD2-CD1 3.97Å; H492-W508 AromaticContact CD2-CG 3.89Å
493A69.3Low75.9Confident82 Ų8270.3 Ų70.368%0.67838%0.378SS*.Hα-helixtrans-67.4-22.6-178.600000114.1I491I491-A493 PolarHBondContact O-N 3.27Å; I491-A493 VanDerWaalsContact O-N 3.14Å
494E71.3Confident75.3Confident85 Ų8568.6 Ų68.640%0.39737%0.37SS..Hα-helixtrans-96.5-20.4-179-68.388.1-166.500114.5R273 I491 H492R273-E494 IonicContact CZ-OE1 3.99Å; R273-E494 IonicContact NH1-OE1 3.1Å; R273-E494 PolarHBondContact NH1-OE1 3.16Å; R273-E494 IonicContact NH1-OE2 2.75Å; R273-E494 IonicContact NH2-OE1 3.49Å; R273-E494 PolarHBondContact NH2-OE1 2.83Å; I491-E494 WeakPolarHBondContact CA-OE2 3.16Å; I491-E494 HydrophobicContact CG2-CB 4.18Å; I491-E494 PolarHBondContact O-N 2.95Å; H492-E494 VanDerWaalsContact C-N 3.28Å; H492-E494 PolarHBondContact O-N 3.29Å
495I71.3Confident74.5Confident107 Ų10768.7 Ų68.755%0.54938%0.378SS..Hα-helixtrans-104.5-38.7-170.9-60.8170.3000114.2I491 W508I491-I495 HydrophobicContact CB-CD1 4.3Å; I491-I495 HydrophobicContact CG2-CD1 3.85Å; I491-I495 HydrophobicContact CG2-CG1 4.16Å; I495-W508 HydrophobicContact CB-CH2 4.27Å; I495-W508 HydrophobicContact CB-CZ2 4.39Å; I495-W508 HydrophobicContact CD1-CH2 3.9Å; I495-W508 HydrophobicContact CG2-CH2 4.03Å; I495-W508 HydrophobicContact CG2-CZ2 3.94Å
496G67.8Low73.7Confident35 Ų3569.6 Ų69.636%0.36138%0.383SS..  trans77.5171.8-176.500000116.1H492 P498H492-G496 PolarHBondContact O-N 3.27Å; G496-P498 WeakPolarHBondContact O-CD 3.46Å
497D65.7Low73.1Confident116 Ų11669.1 Ų69.162%0.6238%0.383SS*.  trans-101.6105-176.7-75.5-26.8000113.2H492 W508H492-D497 IonicContact NE2-OD1 3.87Å; D497-W508 PolarHBondContact OD1-NE1 3.44Å
498P72.6Confident72.8Confident49 Ų4970.6 Ų70.632%0.31839%0.388SS..  trans-84135.6176.333.9-36.2000112.7G496 W500 M501G496-P498 WeakPolarHBondContact O-CD 3.46Å; P498-W500 HydrophobicContact CB-CG 4.48Å; P498-W500 HydrophobicContact CG-CD2 4.5Å; P498-W500 HydrophobicContact CG-CZ2 3.89Å; P498-W500 VanDerWaalsContact CG-NE1 3.32Å; P498-W500 PolarHBondContact O-N 2.93Å; P498-M501 HydrophobicContact CG-CG 4.08Å; P498-M501 HydrophobicContact CG-SD 3.85Å; P498-M501 WeakPolarHBondContact O-CB 3.42Å; P498-M501 PolarHBondContact O-N 3.4Å
499A71.8Confident72.4Confident89 Ų8971.5 Ų71.574%0.73639%0.393SS*.THydrogen-bonded Turntrans-55.8-23.4-17300000115.9M501A499-M501 PolarHBondContact O-N 3.47Å
500W78.3Confident71.8Confident158 Ų15875.1 Ų75.160%0.59842%0.416SS*.Hα-helixtrans-67.9-22.5177.262.7-97.3000113P498 N502 F503 V504P498-W500 HydrophobicContact CB-CG 4.48Å; P498-W500 HydrophobicContact CG-CD2 4.5Å; P498-W500 HydrophobicContact CG-CZ2 3.89Å; P498-W500 VanDerWaalsContact CG-NE1 3.32Å; P498-W500 PolarHBondContact O-N 2.93Å; W500-N502 PolarHBondContact O-N 2.97Å; W500-F503 PolarHBondContact O-N 3.1Å; W500-V504 HydrophobicContact CE3-CG2 4.24Å; W500-V504 WeakPolarHBondContact O-CG2 3.43Å; W500-V504 PolarHBondContact O-N 3.06Å; W500-V504 VanDerWaalsContact O-N 3.13Å
501M73.1Confident71.7Confident12 Ų1273 Ų736%0.05940%0.404CS..Hα-helixtrans-64.3-38.5178.3-80.2179.270.200112.5L487 P498 A499 F503 V504 G505 I506 W508L487-M501 HydrophobicContact CD2-CE 4.26Å; P498-M501 HydrophobicContact CG-CG 4.08Å; P498-M501 HydrophobicContact CG-SD 3.85Å; P498-M501 WeakPolarHBondContact O-CB 3.42Å; P498-M501 PolarHBondContact O-N 3.4Å; A499-M501 PolarHBondContact O-N 3.47Å; M501-F503 VanDerWaalsContact C-N 3.34Å; M501-F503 PolarHBondContact O-N 3.3Å; M501-V504 PolarHBondContact O-N 3.39Å; M501-G505 PolarHBondContact O-N 3.36Å; M501-I506 HydrophobicContact CE-CB 4.45Å; M501-I506 HydrophobicContact CE-CG2 4.02Å; M501-I506 WeakPolarHBondContact CE-O 3.3Å; M501-I506 PolarHBondContact O-N 3.14Å; M501-W508 HydrophobicContact CE-CD2 4.49Å; M501-W508 HydrophobicContact CE-CG 4.33Å
502N70.5Confident71.6Confident127 Ų12773.2 Ų73.268%0.67941%0.408SS*.Hα-helixtrans-67.8-31.4176.4-75.9-14.5000113.1W500W500-N502 PolarHBondContact O-N 2.97Å
503F71.3Confident71.9Confident145 Ų14571 Ų7164%0.63640%0.399SS*.Hα-helixtrans-73.9-35.4176.1-174.1-96.4000111.9I444 W500 M501I444-F503 HydrophobicContact CD1-CD1 4.22Å; I444-F503 HydrophobicContact CD1-CE1 4.14Å; I444-F503 WeakPolarHBondContact CD1-O 3.43Å; W500-F503 PolarHBondContact O-N 3.1Å; M501-F503 VanDerWaalsContact C-N 3.34Å; M501-F503 PolarHBondContact O-N 3.3Å
504V73.3Confident72.3Confident24 Ų2471.7 Ų71.715%0.14539%0.388CS..Hα-helixtrans-82.7-25.8-178.7179.40000112.5I444 F445 W500 M501 I506I444-V504 PolarHBondContact N-O 3.33Å; I444-V504 VanDerWaalsContact N-O 3.07Å; F445-V504 HydrophobicContact CD2-CG1 3.93Å; F445-V504 HydrophobicContact CE2-CG1 3.46Å; F445-V504 VanDerWaalsContact CE2-CG1 3.46Å; F445-V504 HydrophobicContact CZ-CG1 4.15Å; W500-V504 HydrophobicContact CE3-CG2 4.24Å; W500-V504 WeakPolarHBondContact O-CG2 3.43Å; W500-V504 PolarHBondContact O-N 3.06Å; W500-V504 VanDerWaalsContact O-N 3.13Å; M501-V504 PolarHBondContact O-N 3.39Å; V504-I506 HydrophobicContact CG1-CD1 3.92Å; V504-I506 HydrophobicContact CG1-CG1 4.15Å
505G68.1Low72.7Confident30 Ų3067.7 Ų67.731%0.30937%0.37SS..THydrogen-bonded Turntrans85.340.5-178.700000113.7M501M501-G505 PolarHBondContact O-N 3.36Å
506I71.8Confident73.3Confident28 Ų2863.5 Ų63.514%0.14435%0.349CS..  trans-116.5131.7175.5-61.4172.6000109.1F445 L487 M501 V504F445-I506 HydrophobicContact CD2-CD1 3.88Å; F445-I506 HydrophobicContact CE2-CD1 3.56Å; L487-I506 HydrophobicContact CD1-CG2 3.48Å; L487-I506 VanDerWaalsContact CD1-CG2 3.48Å; M501-I506 HydrophobicContact CE-CB 4.45Å; M501-I506 HydrophobicContact CE-CG2 4.02Å; M501-I506 WeakPolarHBondContact CE-O 3.3Å; M501-I506 PolarHBondContact O-N 3.14Å; V504-I506 HydrophobicContact CG1-CD1 3.92Å; V504-I506 HydrophobicContact CG1-CG1 4.15Å
507E71.4Confident74.1Confident117 Ų11766.3 Ų66.355%0.54735%0.354SS..  trans-124.5148.2-178.3-63.9177.5-177.600111.2R692E507-R692 IonicContact OE1-CZ 3.97Å; E507-R692 IonicContact OE1-NH2 2.7Å; E507-R692 PolarHBondContact OE1-NH2 3.5Å
508W76.7Confident74.9Confident49 Ų4962.4 Ų62.419%0.18633%0.333CS..  trans-76143.2175.7-6598.5000111.8L487 H492 I495 D497 M501L487-W508 HydrophobicContact CB-CE3 4.43Å; L487-W508 HydrophobicContact CD2-CD2 4.05Å; L487-W508 HydrophobicContact CD2-CE3 3.77Å; L487-W508 HydrophobicContact CD2-CH2 4Å; L487-W508 HydrophobicContact CD2-CZ2 4.27Å; L487-W508 HydrophobicContact CD2-CZ3 3.75Å; H492-W508 AromaticContact CD2-CD1 3.97Å; H492-W508 AromaticContact CD2-CG 3.89Å; I495-W508 HydrophobicContact CB-CH2 4.27Å; I495-W508 HydrophobicContact CB-CZ2 4.39Å; I495-W508 HydrophobicContact CD1-CH2 3.9Å; I495-W508 HydrophobicContact CG2-CH2 4.03Å; I495-W508 HydrophobicContact CG2-CZ2 3.94Å; D497-W508 PolarHBondContact OD1-NE1 3.44Å; M501-W508 HydrophobicContact CE-CD2 4.49Å; M501-W508 HydrophobicContact CE-CG 4.33Å
509T74.3Confident75.5Confident24 Ų2460.1 Ų60.115%0.14732%0.318CS..  trans-108.8100.3178.259.90000111.3L487 S488 I518L487-T509 PolarHBondContact O-N 3.39Å; S488-T509 WeakPolarHBondContact CA-OG1 3.5Å; S488-T509 PolarHBondContact OG-OG1 2.99Å; T509-I518 HydrophobicContact CG2-CD1 3.6Å
510T67.2Low76.2Confident94 Ų9458.6 Ų58.658%0.57730%0.302SS*.  trans-84.1-24-177.554.60000113.9
511L72.5Confident76.6Confident62 Ų6253.5 Ų53.533%0.32529%0.288SS..SBendtrans-85.6127.9179.7-83.389.6000111.9M305 V513 H514 A515M305-L511 HydrophobicContact CB-CD2 4.26Å; M305-L511 HydrophobicContact CG-CD2 4.47Å; M305-L511 HydrophobicContact SD-CD2 3.45Å; M305-L511 WeakPolarHBondContact SD-CD2 3.34Å; L511-V513 VanDerWaalsContact C-N 3.29Å; L511-V513 PolarHBondContact O-N 3.37Å; L511-H514 HydrophobicContact CB-CB 4.16Å; L511-H514 WeakPolarHBondContact CB-ND1 3.36Å; L511-H514 PolarHBondContact O-N 2.98Å; L511-A515 PolarHBondContact O-N 2.63Å; L511-A515 VanDerWaalsContact O-N 3.08Å
512P72.9Confident77.3Confident36 Ų3653.2 Ų53.223%0.23429%0.286CS..Hα-helixtrans-63.6-31.1-176.224.5-33.1000113.1P308 L309 V516P308-P512 HydrophobicContact CG-CB 4.43Å; L309-P512 HydrophobicContact CD1-CG 4.38Å; P512-V516 VanDerWaalsContact O-CG2 3.25Å; P512-V516 WeakPolarHBondContact O-CG2 3.37Å; P512-V516 PolarHBondContact O-N 3.03Å; P512-V516 VanDerWaalsContact O-N 3.14Å
513V79.5Confident77.9Confident23 Ų2347.8 Ų47.814%0.13926%0.258CS..Hα-helixtrans-72-41176.71710000112.2M305 P308 L511 A515 V516 I517M305-V513 WeakPolarHBondContact O-CG2 3.42Å; P308-V513 HydrophobicContact CG-CG2 3.65Å; L511-V513 VanDerWaalsContact C-N 3.29Å; L511-V513 PolarHBondContact O-N 3.37Å; V513-A515 VanDerWaalsContact C-N 3.33Å; V513-A515 PolarHBondContact O-N 3.17Å; V513-V516 PolarHBondContact O-N 3.01Å; V513-I517 HydrophobicContact CG1-CD1 3.78Å; V513-I517 HydrophobicContact CG1-CG1 4.42Å; V513-I517 WeakPolarHBondContact O-CG1 3.18Å; V513-I517 PolarHBondContact O-N 3.43Å
514H77.8Confident78.5Confident96 Ų9645.7 Ų45.744%0.44425%0.253SS..Hα-helixtrans-64.1-41.8176.9-71.880.6000110.8L511 V516 I517 I518L511-H514 HydrophobicContact CB-CB 4.16Å; L511-H514 WeakPolarHBondContact CB-ND1 3.36Å; L511-H514 PolarHBondContact O-N 2.98Å; H514-V516 PolarHBondContact O-N 3.28Å; H514-I517 PolarHBondContact O-N 3.01Å; H514-I518 WeakPolarHBondContact O-CB 3.31Å; H514-I518 VanDerWaalsContact O-CG1 3.28Å; H514-I518 WeakPolarHBondContact O-CG1 3.44Å; H514-I518 PolarHBondContact O-N 2.92Å
515A78.2Confident79.1Confident1 Ų146.2 Ų46.21%0.00825%0.254CS..Hα-helixtrans-56.6-47.6172.800000112.1P205 L511 V513 I517 L519P205-A515 HydrophobicContact CG-CB 4.29Å; L511-A515 PolarHBondContact O-N 2.63Å; L511-A515 VanDerWaalsContact O-N 3.08Å; V513-A515 VanDerWaalsContact C-N 3.33Å; V513-A515 PolarHBondContact O-N 3.17Å; A515-I517 PolarHBondContact O-N 3.27Å; A515-L519 WeakPolarHBondContact O-CB 3.36Å; A515-L519 WeakPolarHBondContact O-CG 3.18Å; A515-L519 PolarHBondContact O-N 3.31Å
516V84.2Confident80Confident18 Ų1844.8 Ų44.811%0.10924%0.24CC..Hα-helixtrans-61.6-44.5177.5170.90000111.7I202 V203 P308 P512 V513 H514 C520I202-V516 HydrophobicContact CG2-CB 4.5Å; I202-V516 HydrophobicContact CG2-CG1 4.32Å; I202-V516 WeakPolarHBondContact O-CG2 3.28Å; V203-V516 WeakPolarHBondContact O-CG2 3.39Å; P308-V516 HydrophobicContact CB-CG2 4.39Å; P308-V516 HydrophobicContact CG-CG2 4.36Å; P512-V516 VanDerWaalsContact O-CG2 3.25Å; P512-V516 WeakPolarHBondContact O-CG2 3.37Å; P512-V516 PolarHBondContact O-N 3.03Å; P512-V516 VanDerWaalsContact O-N 3.14Å; V513-V516 PolarHBondContact O-N 3.01Å; H514-V516 PolarHBondContact O-N 3.28Å; V516-C520 WeakPolarHBondContact O-CB 3.4Å; V516-C520 PolarHBondContact O-N 3.42Å
517I84.2Confident80.6Confident94 Ų9447.1 Ų47.148%0.48225%0.252SS..Hα-helixtrans-66.7-49.1-178.2-68.5168.7000110.9V513 H514 A515 L519 C520 V521V513-I517 HydrophobicContact CG1-CD1 3.78Å; V513-I517 HydrophobicContact CG1-CG1 4.42Å; V513-I517 WeakPolarHBondContact O-CG1 3.18Å; V513-I517 PolarHBondContact O-N 3.43Å; H514-I517 PolarHBondContact O-N 3.01Å; A515-I517 PolarHBondContact O-N 3.27Å; I517-L519 PolarHBondContact O-N 2.59Å; I517-C520 PolarHBondContact O-N 3.28Å; I517-V521 HydrophobicContact CG2-CG2 4.34Å; I517-V521 WeakPolarHBondContact O-CG2 3.48Å; I517-V521 PolarHBondContact O-N 3.37Å
518I83.7Confident81.3Confident35 Ų3543.1 Ų43.118%0.17924%0.237CC..Hα-helixtrans-61.6-47.5-178.4-68.4164.7000110.1Y441 Q484 T509 H514 C520 V521 Q522Y441-I518 HydrophobicContact CE1-CG2 4.23Å; Q484-I518 HydrophobicContact CG-CG2 4Å; T509-I518 HydrophobicContact CG2-CD1 3.6Å; H514-I518 WeakPolarHBondContact O-CB 3.31Å; H514-I518 VanDerWaalsContact O-CG1 3.28Å; H514-I518 WeakPolarHBondContact O-CG1 3.44Å; H514-I518 PolarHBondContact O-N 2.92Å; I518-C520 VanDerWaalsContact C-N 3.34Å; I518-C520 PolarHBondContact O-N 3.42Å; I518-V521 PolarHBondContact O-N 3.39Å; I518-Q522 HydrophobicContact CG2-CG 4.47Å; I518-Q522 WeakPolarHBondContact O-CB 3.24Å; I518-Q522 VanDerWaalsContact O-CG 3.32Å; I518-Q522 WeakPolarHBondContact O-CG 3.22Å; I518-Q522 PolarHBondContact O-N 2.86Å
519L85.9Confident81.7Confident0 Ų040.9 Ų40.90%023%0.228CC..Hα-helixtrans-64.5-36.6177.3-72.9169.5000112.1I202 Q484 Y485 A515 I517 T523I202-L519 HydrophobicContact CG1-CB 4.44Å; I202-L519 HydrophobicContact CG2-CB 3.69Å; I202-L519 HydrophobicContact CG2-CD1 4.28Å; Q484-L519 HydrophobicContact CB-CD2 4.27Å; Q484-L519 HydrophobicContact CG-CD2 3.97Å; Y485-L519 HydrophobicContact CD2-CD1 3.97Å; Y485-L519 HydrophobicContact CD2-CD2 4.42Å; A515-L519 WeakPolarHBondContact O-CB 3.36Å; A515-L519 WeakPolarHBondContact O-CG 3.18Å; A515-L519 PolarHBondContact O-N 3.31Å; I517-L519 PolarHBondContact O-N 2.59Å; L519-T523 VanDerWaalsContact O-CB 3.3Å; L519-T523 WeakPolarHBondContact O-CB 3.45Å; L519-T523 WeakPolarHBondContact O-CG2 3.45Å; L519-T523 PolarHBondContact O-N 3.29Å; L519-T523 PolarHBondContact O-OG1 3.41Å
520C86.3Confident82.4Confident57 Ų5740 Ų4039%0.38522%0.222SC..Hα-helixtrans-66.9-46.3176.5-170.20000112.4V516 I517 I518 T523 L524V516-C520 WeakPolarHBondContact O-CB 3.4Å; V516-C520 PolarHBondContact O-N 3.42Å; I517-C520 PolarHBondContact O-N 3.28Å; I518-C520 VanDerWaalsContact C-N 3.34Å; I518-C520 PolarHBondContact O-N 3.42Å; C520-T523 WeakPolarHBondContact CA-OG1 3.43Å; C520-T523 PolarHBondContact O-N 3.16Å; C520-T523 PolarHBondContact O-OG1 3.47Å; C520-L524 WeakPolarHBondContact O-CB 3.27Å; C520-L524 WeakPolarHBondContact O-CG 3.45Å; C520-L524 PolarHBondContact O-N 3.48Å
521V85.5Confident83.2Confident51 Ų5138.8 Ų38.831%0.30921%0.212SC..Hα-helixtrans-66-45.2179.4172.50000110.8I517 I518 L524 L525I517-V521 HydrophobicContact CG2-CG2 4.34Å; I517-V521 WeakPolarHBondContact O-CG2 3.48Å; I517-V521 PolarHBondContact O-N 3.37Å; I518-V521 PolarHBondContact O-N 3.39Å; V521-L524 PolarHBondContact O-N 2.89Å; V521-L525 HydrophobicContact CG1-CD1 4.01Å; V521-L525 HydrophobicContact CG1-CG 4.48Å; V521-L525 WeakPolarHBondContact O-CG 3.22Å; V521-L525 PolarHBondContact O-N 3.14Å
522Q87.2Confident83.9Confident6 Ų636.1 Ų36.13%0.02820%0.198CC..Hα-helixtrans-61.6-49.1175.9-73.3-176.8-3.900111W437 Y441 L481 I518 L524 L525 T526W437-Q522 HydrophobicContact CH2-CB 3.62Å; W437-Q522 HydrophobicContact CH2-CG 3.62Å; W437-Q522 HydrophobicContact CZ2-CB 4.41Å; W437-Q522 HydrophobicContact CZ2-CG 3.92Å; W437-Q522 HydrophobicContact CZ3-CB 3.87Å; W437-Q522 HydrophobicContact CZ3-CG 4.05Å; Y441-Q522 HydrophobicContact CD2-CG 4.49Å; Y441-Q522 HydrophobicContact CE2-CG 3.72Å; L481-Q522 HydrophobicContact CD2-CB 4.01Å; I518-Q522 HydrophobicContact CG2-CG 4.47Å; I518-Q522 WeakPolarHBondContact O-CB 3.24Å; I518-Q522 VanDerWaalsContact O-CG 3.32Å; I518-Q522 WeakPolarHBondContact O-CG 3.22Å; I518-Q522 PolarHBondContact O-N 2.86Å; Q522-L524 VanDerWaalsContact C-N 3.27Å; Q522-L524 PolarHBondContact O-N 3.39Å; Q522-L525 PolarHBondContact O-N 2.78Å; Q522-L525 VanDerWaalsContact O-N 3.15Å; Q522-T526 WeakPolarHBondContact O-CG2 3.44Å; Q522-T526 PolarHBondContact O-N 2.79Å; Q522-T526 VanDerWaalsContact O-N 3.08Å
523T84Confident84.7Confident13 Ų1335.1 Ų35.18%0.0819%0.191CC..Hα-helixtrans-59.3-36.3177.851.10000112.4I202 F213 L481 L519 C520 T526I202-T523 HydrophobicContact CD1-CG2 4.14Å; F213-T523 HydrophobicContact CE2-CG2 4.16Å; L481-T523 HydrophobicContact CD2-CG2 3.74Å; L519-T523 VanDerWaalsContact O-CB 3.3Å; L519-T523 WeakPolarHBondContact O-CB 3.45Å; L519-T523 WeakPolarHBondContact O-CG2 3.45Å; L519-T523 PolarHBondContact O-N 3.29Å; L519-T523 PolarHBondContact O-OG1 3.41Å; C520-T523 WeakPolarHBondContact CA-OG1 3.43Å; C520-T523 PolarHBondContact O-N 3.16Å; C520-T523 PolarHBondContact O-OG1 3.47Å; T523-T526 PolarHBondContact O-N 3.49Å; T523-T526 PolarHBondContact O-OG1 3.21Å
524L84.9Confident85Confident102 Ų10237.2 Ų37.253%0.53420%0.196SC..Hα-helixtrans-65.9-46173.5-77.1168.6000113.2C520 V521 Q522 T526 L527C520-L524 WeakPolarHBondContact O-CB 3.27Å; C520-L524 WeakPolarHBondContact O-CG 3.45Å; C520-L524 PolarHBondContact O-N 3.48Å; V521-L524 PolarHBondContact O-N 2.89Å; Q522-L524 VanDerWaalsContact C-N 3.27Å; Q522-L524 PolarHBondContact O-N 3.39Å; L524-T526 PolarHBondContact O-N 3.45Å; L524-L527 HydrophobicContact CD2-CD1 4.19Å; L524-L527 PolarHBondContact O-N 2.89Å
525L85.6Confident85.3Confident34 Ų3433.5 Ų33.518%0.17818%0.18CC..Hα-helixtrans-64.2-20.8178-71.6172.7000112.8A433 W437 L440 V521 Q522 P528A433-L525 HydrophobicContact CB-CD2 4.48Å; W437-L525 HydrophobicContact CE3-CB 3.82Å; W437-L525 HydrophobicContact CE3-CD1 4.14Å; W437-L525 HydrophobicContact CZ3-CB 4.18Å; L440-L525 HydrophobicContact CD1-CD1 4.11Å; V521-L525 HydrophobicContact CG1-CD1 4.01Å; V521-L525 HydrophobicContact CG1-CG 4.48Å; V521-L525 WeakPolarHBondContact O-CG 3.22Å; V521-L525 PolarHBondContact O-N 3.14Å; Q522-L525 PolarHBondContact O-N 2.78Å; Q522-L525 VanDerWaalsContact O-N 3.15Å; L525-P528 WeakPolarHBondContact O-CD 3.37Å
526T86.3Confident85.6Confident1 Ų134.4 Ų34.41%0.00619%0.187CC..Hα-helixtrans-81.1-23.1175.969.90000114.8W437 I477 L481 Q522 T523 L524 V529 F530W437-T526 HydrophobicContact CH2-CG2 4.25Å; W437-T526 HydrophobicContact CZ3-CG2 3.75Å; I477-T526 HydrophobicContact CG2-CG2 3.18Å; L481-T526 HydrophobicContact CD1-CG2 3.49Å; L481-T526 VanDerWaalsContact CD1-CG2 3.49Å; L481-T526 HydrophobicContact CG-CG2 4.14Å; Q522-T526 WeakPolarHBondContact O-CG2 3.44Å; Q522-T526 PolarHBondContact O-N 2.79Å; Q522-T526 VanDerWaalsContact O-N 3.08Å; T523-T526 PolarHBondContact O-N 3.49Å; T523-T526 PolarHBondContact O-OG1 3.21Å; L524-T526 PolarHBondContact O-N 3.45Å; T526-V529 WeakPolarHBondContact O-CA 3.27Å; T526-V529 WeakPolarHBondContact O-CB 3.24Å; T526-V529 PolarHBondContact O-N 3.45Å; T526-F530 WeakPolarHBondContact O-CD2 3.13Å; T526-F530 PolarHBondContact O-N 2.93Å; T526-F530 VanDerWaalsContact O-N 3.07Å
527L84.5Confident85.6Confident77 Ų7739.4 Ų39.440%0.40320%0.204SC..Hα-helixtrans-57.9-42.2-176.8-65.6177.7000114L524 V529 F530 L531L524-L527 HydrophobicContact CD2-CD1 4.19Å; L524-L527 PolarHBondContact O-N 2.89Å; L527-V529 PolarHBondContact O-N 3.16Å; L527-F530 PolarHBondContact O-N 3.5Å; L527-L531 PolarHBondContact O-N 3.18Å
528P85.6Confident85.4Confident33 Ų3336.5 Ų36.521%0.21419%0.186CC..Hα-helixtrans-60.6-29.3173.6-23.634.7000113.3I429 A430 A433 L525 L532I429-P528 HydrophobicContact CG2-CB 4.3Å; I429-P528 HydrophobicContact CG2-CG 4.32Å; A430-P528 HydrophobicContact CB-CB 4.48Å; A433-P528 HydrophobicContact CB-CG 4.5Å; L525-P528 WeakPolarHBondContact O-CD 3.37Å; P528-L532 WeakPolarHBondContact O-CB 3.42Å; P528-L532 PolarHBondContact O-N 3.44Å
529V86Confident85.1Confident2 Ų237.5 Ų37.51%0.01219%0.19CC..Hα-helixtrans-77.2-41.1178.8-1720000111.2I473 L474 I477 T526 L527 L531 L532 L533I473-V529 HydrophobicContact CG2-CG1 3.86Å; L474-V529 HydrophobicContact CB-CG1 4.2Å; L474-V529 HydrophobicContact CD1-CB 4.37Å; L474-V529 HydrophobicContact CD1-CG1 3.95Å; I477-V529 HydrophobicContact CD1-CB 4.36Å; I477-V529 HydrophobicContact CD1-CG1 4.13Å; I477-V529 HydrophobicContact CD1-CG2 3.82Å; T526-V529 WeakPolarHBondContact O-CA 3.27Å; T526-V529 WeakPolarHBondContact O-CB 3.24Å; T526-V529 PolarHBondContact O-N 3.45Å; L527-V529 PolarHBondContact O-N 3.16Å; V529-L531 PolarHBondContact O-N 2.93Å; V529-L532 VanDerWaalsContact O-CB 3.29Å; V529-L532 WeakPolarHBondContact O-CB 3.32Å; V529-L532 PolarHBondContact O-N 2.76Å; V529-L532 VanDerWaalsContact O-N 3.11Å; V529-L533 PolarHBondContact O-N 3.31Å; V529-L533 VanDerWaalsContact O-N 3.1Å
530F87.4Confident84.8Confident4 Ų444 Ų442%0.01822%0.219CC..Hα-helixtrans-58.1-39.2170-77.6-71.9000111.5L474 E478 T526 L527 R534L474-F530 HydrophobicContact CD1-CD1 3.66Å; L474-F530 HydrophobicContact CD1-CD2 4.24Å; L474-F530 HydrophobicContact CD1-CE1 3.72Å; L474-F530 HydrophobicContact CD1-CE2 4.28Å; L474-F530 HydrophobicContact CD1-CG 3.94Å; L474-F530 HydrophobicContact CD1-CZ 4.02Å; L474-F530 HydrophobicContact CD2-CD1 3.82Å; L474-F530 HydrophobicContact CD2-CE1 3.99Å; L474-F530 HydrophobicContact CG-CD1 4.35Å; L474-F530 HydrophobicContact CG-CE1 4.28Å; E478-F530 HydrophobicContact CG-CZ 4.26Å; E478-F530 WeakPolarHBondContact OE1-CE1 3.37Å; T526-F530 WeakPolarHBondContact O-CD2 3.13Å; T526-F530 PolarHBondContact O-N 2.93Å; T526-F530 VanDerWaalsContact O-N 3.07Å; L527-F530 PolarHBondContact O-N 3.5Å; F530-R534 PolarHBondContact O-N 3.08Å; F530-R534 VanDerWaalsContact O-N 3.11Å
531L85.7Confident84.3Confident70 Ų7044.5 Ų44.537%0.36622%0.215SC..Hα-helixtrans-67.4-38.7174.7-172.9124.2000112.1L527 V529 L533 R534 L535L527-L531 PolarHBondContact O-N 3.18Å; V529-L531 PolarHBondContact O-N 2.93Å; L531-L533 PolarHBondContact O-N 3.08Å; L531-R534 PolarHBondContact O-N 3.41Å; L531-L535 HydrophobicContact CD2-CD1 3.54Å; L531-L535 HydrophobicContact CD2-CG 4.18Å; L531-L535 HydrophobicContact CG-CD1 4.23Å; L531-L535 HydrophobicContact CG-CG 4.35Å; L531-L535 WeakPolarHBondContact O-CB 3.26Å; L531-L535 WeakPolarHBondContact O-CG 3.35Å; L531-L535 PolarHBondContact O-N 3.45Å
532L87.5Confident83.6Confident5 Ų543.1 Ų43.13%0.02620%0.204CC..Hα-helixtrans-56.9-46.9175-167.476000111.3A430 F467 A470 P528 V529 L535 A536A430-L532 HydrophobicContact CB-CD1 4.19Å; A430-L532 HydrophobicContact CB-CD2 4.23Å; F467-L532 HydrophobicContact CD1-CD1 3.68Å; F467-L532 HydrophobicContact CD1-CG 4.25Å; F467-L532 HydrophobicContact CE1-CD1 3.54Å; F467-L532 HydrophobicContact CE1-CG 4.45Å; A470-L532 HydrophobicContact CB-CD2 3.76Å; A470-L532 HydrophobicContact CB-CG 3.94Å; P528-L532 WeakPolarHBondContact O-CB 3.42Å; P528-L532 PolarHBondContact O-N 3.44Å; V529-L532 VanDerWaalsContact O-CB 3.29Å; V529-L532 WeakPolarHBondContact O-CB 3.32Å; V529-L532 PolarHBondContact O-N 2.76Å; V529-L532 VanDerWaalsContact O-N 3.11Å; L532-L535 PolarHBondContact O-N 3.07Å; L532-A536 WeakPolarHBondContact O-CB 3.34Å; L532-A536 PolarHBondContact O-N 3.46Å
533L88Confident82.8Confident16 Ų1648 Ų488%0.08423%0.227CC..Hα-helixtrans-65.7-42177.1-178.660.6000111.9P471 L474 V529 L531 L535 A536 R537P471-L533 HydrophobicContact CB-CD1 4.01Å; L474-L533 HydrophobicContact CD2-CB 4.24Å; L474-L533 HydrophobicContact CD2-CD2 3.4Å; L474-L533 HydrophobicContact CD2-CG 4.45Å; V529-L533 PolarHBondContact O-N 3.31Å; V529-L533 VanDerWaalsContact O-N 3.1Å; L531-L533 PolarHBondContact O-N 3.08Å; L533-L535 PolarHBondContact O-N 3.47Å; L533-A536 PolarHBondContact O-N 3.47Å; L533-R537 HydrophobicContact CD1-CG 4.1Å; L533-R537 HydrophobicContact CG-CG 4.37Å; L533-R537 WeakPolarHBondContact O-CB 3.41Å; L533-R537 WeakPolarHBondContact O-CG 3.04Å; L533-R537 PolarHBondContact O-N 2.86Å
534R86.6Confident82.3Confident67 Ų6751.5 Ų51.525%0.25325%0.251SS..Hα-helixtrans-62.7-42.8177.3-172.3177.6172.1115.6-12.5111.7W223 S224 Y226 F530 L531 R537 R538W223-R534 VanDerWaalsContact CE2-CZ 3.43Å; W223-R534 VanDerWaalsContact CG-NH1 3.26Å; W223-R534 PolarHBondContact O-NH1 2.78Å; S224-R534 WeakPolarHBondContact O-CA 3.32Å; Y226-R534 HydrophobicContact CD2-CG 4.44Å; F530-R534 PolarHBondContact O-N 3.08Å; F530-R534 VanDerWaalsContact O-N 3.11Å; L531-R534 PolarHBondContact O-N 3.41Å; R534-R537 PolarHBondContact O-N 2.98Å; R534-R538 WeakPolarHBondContact O-CB 3.5Å; R534-R538 PolarHBondContact O-N 3.28Å
535L84.3Confident81.5Confident18 Ų1847.5 Ų47.59%0.09423%0.231CC..Hα-helixtrans-64-42.7176.4-72.4177.5000111.1I423 S426 L531 L532 L533 R538 E539I423-L535 HydrophobicContact CG2-CD2 4.17Å; S426-L535 WeakPolarHBondContact OG-CD1 3.36Å; L531-L535 HydrophobicContact CD2-CD1 3.54Å; L531-L535 HydrophobicContact CD2-CG 4.18Å; L531-L535 HydrophobicContact CG-CD1 4.23Å; L531-L535 HydrophobicContact CG-CG 4.35Å; L531-L535 WeakPolarHBondContact O-CB 3.26Å; L531-L535 WeakPolarHBondContact O-CG 3.35Å; L531-L535 PolarHBondContact O-N 3.45Å; L532-L535 PolarHBondContact O-N 3.07Å; L533-L535 PolarHBondContact O-N 3.47Å; L535-R538 PolarHBondContact O-N 3.15Å; L535-E539 WeakPolarHBondContact O-CB 3.19Å; L535-E539 PolarHBondContact O-N 2.94Å
536A83.9Confident80.7Confident19 Ų1948.4 Ų48.416%0.15724%0.24CC..Hα-helixtrans-62.9-46.8175.800000112.4F467 L532 L533 E539 K540F467-A536 HydrophobicContact CB-CB 4.38Å; L532-A536 WeakPolarHBondContact O-CB 3.34Å; L532-A536 PolarHBondContact O-N 3.46Å; L533-A536 PolarHBondContact O-N 3.47Å; A536-E539 PolarHBondContact O-N 3.02Å; A536-K540 WeakPolarHBondContact O-CB 3.06Å; A536-K540 PolarHBondContact O-N 3.2Å
537R85.1Confident79.5Confident123 Ų12353.2 Ų53.246%0.46427%0.265SS..Hα-helixtrans-66.6-37.5177-74.3-66.8-171.5175.21.6112.4L533 R534 K540 F541L533-R537 HydrophobicContact CD1-CG 4.1Å; L533-R537 HydrophobicContact CG-CG 4.37Å; L533-R537 WeakPolarHBondContact O-CB 3.41Å; L533-R537 WeakPolarHBondContact O-CG 3.04Å; L533-R537 PolarHBondContact O-N 2.86Å; R534-R537 PolarHBondContact O-N 2.98Å; R537-K540 CarbonylContact O-C 3.56Å; R537-K540 PolarHBondContact O-N 2.79Å; R537-F541 WeakPolarHBondContact O-CB 3.45Å; R537-F541 PolarHBondContact O-N 2.91Å
538R79.8Confident78.3Confident33 Ų3357.5 Ų57.513%0.12528%0.278CS..Hα-helixtrans-66.9-44.1176.2-174.3-170.575.2164.68.6111.3Y226 D393 R534 L535 K540 F541 Y542Y226-R538 HydrophobicContact CD2-CB 4.23Å; Y226-R538 HydrophobicContact CD2-CG 4.33Å; Y226-R538 HydrophobicContact CE1-CG 4.49Å; Y226-R538 HydrophobicContact CE2-CB 4.24Å; Y226-R538 HydrophobicContact CE2-CG 3.83Å; D393-R538 IonicContact OD1-CZ 2.77Å; D393-R538 IonicContact OD1-NH1 4Å; D393-R538 PolarHBondContact OD1-NH1 2.92Å; D393-R538 IonicContact OD1-NH2 3.81Å; D393-R538 IonicContact OD2-CZ 3.78Å; D393-R538 IonicContact OD2-NH1 3.76Å; D393-R538 PolarHBondContact OD2-NH1 2.61Å; D393-R538 IonicContact OD2-NH2 2.7Å; D393-R538 PolarHBondContact OD2-NH2 3.19Å; R534-R538 WeakPolarHBondContact O-CB 3.5Å; R534-R538 PolarHBondContact O-N 3.28Å; L535-R538 PolarHBondContact O-N 3.15Å; R538-K540 VanDerWaalsContact C-N 3.3Å; R538-K540 PolarHBondContact O-N 3.23Å; R538-F541 PolarHBondContact O-N 3.42Å; R538-Y542 HydrophobicContact CG-CD2 3.69Å; R538-Y542 HydrophobicContact CG-CE2 3.52Å; R538-Y542 WeakPolarHBondContact O-CD2 3.33Å; R538-Y542 PolarHBondContact O-N 2.9Å
539E76.6Confident77.3Confident56 Ų5660.6 Ų60.626%0.26229%0.289SS..Hα-helixtrans-60.4-44.1174.8-161.8158.7-161.500109.6R463 F467 L535 A536 F541 Y542 E543R463-E539 IonicContact NH2-OE1 2.82Å; R463-E539 PolarHBondContact NH2-OE1 3.45Å; R463-E539 VanDerWaalsContact NH2-OE1 3.1Å; R463-E539 IonicContact NH2-OE2 2.69Å; R463-E539 PolarHBondContact NH2-OE2 3.41Å; R463-E539 VanDerWaalsContact NH2-OE2 3.09Å; F467-E539 WeakPolarHBondContact CE2-OE2 3.45Å; L535-E539 WeakPolarHBondContact O-CB 3.19Å; L535-E539 PolarHBondContact O-N 2.94Å; A536-E539 PolarHBondContact O-N 3.02Å; E539-F541 PolarHBondContact O-N 2.85Å; E539-Y542 PolarHBondContact O-N 3.46Å; E539-E543 WeakPolarHBondContact O-CB 3.27Å; E539-E543 VanDerWaalsContact O-CG 3.3Å; E539-E543 WeakPolarHBondContact O-CG 3.29Å; E539-E543 PolarHBondContact O-N 3.37Å
540K79.7Confident76.1Confident136 Ų13661.9 Ų61.959%0.59129%0.294SS*.Hα-helixtrans-64.3-36.7174.6-161.5168.9-174.6173.70114.3A536 R537 R538 E543 S544A536-K540 WeakPolarHBondContact O-CB 3.06Å; A536-K540 PolarHBondContact O-N 3.2Å; R537-K540 CarbonylContact O-C 3.56Å; R537-K540 PolarHBondContact O-N 2.79Å; R538-K540 VanDerWaalsContact C-N 3.3Å; R538-K540 PolarHBondContact O-N 3.23Å; K540-E543 PolarHBondContact O-N 2.92Å; K540-S544 PolarHBondContact O-N 3.28Å; K540-S544 VanDerWaalsContact O-N 3.08Å
541F75.9Confident74.6Confident69 Ų6965.3 Ų65.330%0.30331%0.31SS..Hα-helixtrans-69.1-44.8175.8174.6-98.1000111.9Y226 R537 R538 E539 E543 S544 L545Y226-F541 HydrophobicContact CD1-CB 4.28Å; Y226-F541 HydrophobicContact CD1-CD1 4.26Å; Y226-F541 HydrophobicContact CD1-CG 4.17Å; Y226-F541 HydrophobicContact CE1-CB 4.35Å; Y226-F541 AromaticContact CE1-CD1 3.58Å; Y226-F541 HydrophobicContact CE1-CD1 3.58Å; Y226-F541 HydrophobicContact CE1-CE1 4.01Å; Y226-F541 AromaticContact CE1-CG 3.96Å; Y226-F541 HydrophobicContact CE1-CG 3.96Å; R537-F541 WeakPolarHBondContact O-CB 3.45Å; R537-F541 PolarHBondContact O-N 2.91Å; R538-F541 PolarHBondContact O-N 3.42Å; E539-F541 PolarHBondContact O-N 2.85Å; F541-E543 PolarHBondContact O-N 3.33Å; F541-S544 PolarHBondContact O-N 2.98Å; F541-S544 PolarHBondContact O-OG 3.45Å; F541-L545 HydrophobicContact CD1-CD1 3.87Å; F541-L545 HydrophobicContact CE1-CD1 3.51Å; F541-L545 HydrophobicContact CE1-CG 4.35Å; F541-L545 HydrophobicContact CZ-CD1 4.02Å; F541-L545 HydrophobicContact CZ-CG 4.39Å; F541-L545 PolarHBondContact O-N 2.95Å
542Y70.7Confident73.1Confident21 Ų2170.1 Ų70.18%0.08232%0.323CS..Hα-helixtrans-64.9-27.7174.1-78.6-65.4000111.8V392 R538 E539 L545 R550V392-Y542 HydrophobicContact CG1-CE1 4.25Å; V392-Y542 HydrophobicContact CG2-CE1 4.31Å; R538-Y542 HydrophobicContact CG-CD2 3.69Å; R538-Y542 HydrophobicContact CG-CE2 3.52Å; R538-Y542 WeakPolarHBondContact O-CD2 3.33Å; R538-Y542 PolarHBondContact O-N 2.9Å; E539-Y542 PolarHBondContact O-N 3.46Å; Y542-L545 HydrophobicContact CD1-CD1 3.91Å; Y542-L545 HydrophobicContact CE1-CD1 4.44Å; Y542-R550 PolarHBondContact O-NH2 2.86Å
543E69.9Low71.5Confident110 Ų11075.9 Ų75.951%0.51434%0.344SS..Hα-helixtrans-73.7-20.1169.5-73-169.5136.400114.3K386 E539 K540 F541K386-E543 IonicContact NZ-OE1 3.63Å; K386-E543 PolarHBondContact NZ-OE1 3.39Å; E539-E543 WeakPolarHBondContact O-CB 3.27Å; E539-E543 VanDerWaalsContact O-CG 3.3Å; E539-E543 WeakPolarHBondContact O-CG 3.29Å; E539-E543 PolarHBondContact O-N 3.37Å; K540-E543 PolarHBondContact O-N 2.92Å; F541-E543 PolarHBondContact O-N 3.33Å
544S73.8Confident69.8Low85 Ų8576.7 Ų76.759%0.59435%0.348SS*.Hα-helixtrans-97.7-11.8-177.173.70000116K540 F541K540-S544 PolarHBondContact O-N 3.28Å; K540-S544 VanDerWaalsContact O-N 3.08Å; F541-S544 PolarHBondContact O-N 2.98Å; F541-S544 PolarHBondContact O-OG 3.45Å
545L67.8Low68.2Low18 Ų1879.3 Ų79.39%0.09437%0.367CS..SBendtrans-63135.2175.5-89128.2000111.4F541 Y542 E549F541-L545 HydrophobicContact CD1-CD1 3.87Å; F541-L545 HydrophobicContact CE1-CD1 3.51Å; F541-L545 HydrophobicContact CE1-CG 4.35Å; F541-L545 HydrophobicContact CZ-CD1 4.02Å; F541-L545 HydrophobicContact CZ-CG 4.39Å; F541-L545 PolarHBondContact O-N 2.95Å; Y542-L545 HydrophobicContact CD1-CD1 3.91Å; Y542-L545 HydrophobicContact CE1-CD1 4.44Å; L545-E549 HydrophobicContact CD2-CB 3.88Å
546S69.5Low66.8Low53 Ų5382.4 Ų82.437%0.37139%0.391SS..  trans-63148171.664.70000110.7Y548 E549 R550S546-Y548 PolarHBondContact O-N 3.41Å; S546-E549 PolarHBondContact N-OE2 3.5Å; S546-E549 PolarHBondContact O-N 3.27Å; S546-E549 VanDerWaalsContact O-N 3.07Å; S546-E549 WeakPolarHBondContact OG-CB 3.39Å; S546-E549 WeakPolarHBondContact OG-CG 3.37Å; S546-E549 PolarHBondContact OG-N 3.23Å; S546-E549 PolarHBondContact OG-OE2 2.65Å; S546-R550 WeakPolarHBondContact O-CB 3.46Å; S546-R550 PolarHBondContact O-N 2.93Å
547D60.2Low65.1Low102 Ų10287.9 Ų87.955%0.54541%0.408SS..Hα-helixtrans-55.8-37.1-179.8-73.6-30.9000111.6R550 Q551D547-R550 WeakPolarHBondContact O-CB 3.48Å; D547-R550 PolarHBondContact O-N 3.47Å; D547-Q551 WeakPolarHBondContact O-CB 3.37Å; D547-Q551 PolarHBondContact O-N 2.65Å
548Y61Low62.8Low168 Ų16885.1 Ų85.166%0.65942%0.419SS*.Hα-helixtrans-63.9-46.1174.5178.1-104.3000113.4S546 R550 Q551 R552S546-Y548 PolarHBondContact O-N 3.41Å; Y548-R550 VanDerWaalsContact C-N 3.29Å; Y548-R550 PolarHBondContact O-N 3.1Å; Y548-Q551 WeakPolarHBondContact O-CB 3.31Å; Y548-Q551 PolarHBondContact O-N 3.45Å; Y548-R552 WeakPolarHBondContact O-CB 3.4Å; Y548-R552 PolarHBondContact O-N 2.98Å
549E63.9Low61.1Low98 Ų9889.3 Ų89.346%0.45845%0.448SS..Hα-helixtrans-68-32.2177.6-72167.7137.600112.2L545 S546 R553L545-E549 HydrophobicContact CD2-CB 3.88Å; S546-E549 PolarHBondContact N-OE2 3.5Å; S546-E549 PolarHBondContact O-N 3.27Å; S546-E549 VanDerWaalsContact O-N 3.07Å; S546-E549 WeakPolarHBondContact OG-CB 3.39Å; S546-E549 WeakPolarHBondContact OG-CG 3.37Å; S546-E549 PolarHBondContact OG-N 3.23Å; S546-E549 PolarHBondContact OG-OE2 2.65Å; E549-R553 WeakPolarHBondContact O-CB 3.37Å; E549-R553 PolarHBondContact O-N 3.05Å; E549-R553 VanDerWaalsContact O-N 3.12Å
550R60.1Low59.3Low28 Ų2892 Ų9211%0.10646%0.459CS..Hα-helixtrans-63.8-47.5170.9-135.1179.2-154.5-177.46.1110.1V387 Y542 S546 D547 Y548 R553 I554V387-R550 PolarHBondContact O-NH2 3.2Å; V387-R550 VanDerWaalsContact O-NH2 3.08Å; Y542-R550 PolarHBondContact O-NH2 2.86Å; S546-R550 WeakPolarHBondContact O-CB 3.46Å; S546-R550 PolarHBondContact O-N 2.93Å; D547-R550 WeakPolarHBondContact O-CB 3.48Å; D547-R550 PolarHBondContact O-N 3.47Å; Y548-R550 VanDerWaalsContact C-N 3.29Å; Y548-R550 PolarHBondContact O-N 3.1Å; R550-R553 CarbonylContact O-C 3.26Å; R550-R553 PolarHBondContact O-N 3.45Å; R550-I554 HydrophobicContact CG-CD1 4.5Å; R550-I554 WeakPolarHBondContact O-CB 3.07Å; R550-I554 WeakPolarHBondContact O-CD1 3.43Å; R550-I554 WeakPolarHBondContact O-CG1 3.45Å; R550-I554 PolarHBondContact O-N 3.03Å
551Q56.3Low57.1Low76 Ų7689.1 Ų89.136%0.35547%0.468SS..Hα-helixtrans-61.6-46.1177.7-142.396.9-11.600112.3D547 Y548 R553 I554 N555D547-Q551 WeakPolarHBondContact O-CB 3.37Å; D547-Q551 PolarHBondContact O-N 2.65Å; Y548-Q551 WeakPolarHBondContact O-CB 3.31Å; Y548-Q551 PolarHBondContact O-N 3.45Å; Q551-R553 VanDerWaalsContact C-N 3.34Å; Q551-R553 PolarHBondContact O-N 3.27Å; Q551-I554 WeakPolarHBondContact O-CA 3.4Å; Q551-I554 WeakPolarHBondContact O-CB 3.22Å; Q551-I554 PolarHBondContact O-N 2.94Å; Q551-N555 PolarHBondContact O-N 3.19Å
552R55.5Low54.9Low172 Ų17290.6 Ų90.665%0.64949%0.493SS*.Hα-helixtrans-63-41.1179.7-171.3178-177.7-1792.9111.5Y548 I554 S556Y548-R552 WeakPolarHBondContact O-CB 3.4Å; Y548-R552 PolarHBondContact O-N 2.98Å; R552-I554 PolarHBondContact O-N 3.36Å; R552-S556 PolarHBondContact O-N 3Å; R552-S556 PolarHBondContact O-OG 3.03Å
553R53.7Low53.2Low125 Ų12595.7 Ų95.747%0.47253%0.532SS..Hα-helixtrans-77.51.3171.7-79.5-156.9-105.4-172-12.8114.2E549 R550 Q551 Y557E549-R553 WeakPolarHBondContact O-CB 3.37Å; E549-R553 PolarHBondContact O-N 3.05Å; E549-R553 VanDerWaalsContact O-N 3.12Å; R550-R553 CarbonylContact O-C 3.26Å; R550-R553 PolarHBondContact O-N 3.45Å; Q551-R553 VanDerWaalsContact C-N 3.34Å; Q551-R553 PolarHBondContact O-N 3.27Å; R553-Y557 WeakPolarHBondContact O-CD2 3.41Å; R553-Y557 VanDerWaalsContact O-CE2 3.25Å; R553-Y557 WeakPolarHBondContact O-CE2 3.46Å
554I52.6Low51.5Low33 Ų3399.5 Ų99.517%0.16955%0.547CS..Hα-helixtrans-98.3-42.2171.5-77.4162.8000108.8V387 R550 Q551 R552 S556 Y557 F560V387-I554 HydrophobicContact CG2-CD1 4.09Å; R550-I554 HydrophobicContact CG-CD1 4.5Å; R550-I554 WeakPolarHBondContact O-CB 3.07Å; R550-I554 WeakPolarHBondContact O-CD1 3.43Å; R550-I554 WeakPolarHBondContact O-CG1 3.45Å; R550-I554 PolarHBondContact O-N 3.03Å; Q551-I554 WeakPolarHBondContact O-CA 3.4Å; Q551-I554 WeakPolarHBondContact O-CB 3.22Å; Q551-I554 PolarHBondContact O-N 2.94Å; R552-I554 PolarHBondContact O-N 3.36Å; I554-S556 PolarHBondContact O-N 3.44Å; I554-Y557 PolarHBondContact O-N 2.97Å; I554-F560 HydrophobicContact CB-CD2 4.42Å; I554-F560 HydrophobicContact CB-CE2 4.35Å; I554-F560 HydrophobicContact CG2-CB 4.24Å; I554-F560 HydrophobicContact CG2-CD1 4.41Å; I554-F560 HydrophobicContact CG2-CD2 3.41Å; I554-F560 VanDerWaalsContact CG2-CD2 3.41Å; I554-F560 HydrophobicContact CG2-CE2 3.74Å; I554-F560 HydrophobicContact CG2-CG 3.77Å; I554-F560 HydrophobicContact CG2-CZ 4.38Å; I554-F560 WeakPolarHBondContact O-CD2 3.47Å
555N52.9Low49.8Very low122 Ų122102.3 Ų102.365%0.65256%0.56SS**Hα-helixtrans-67.5-34.2177.1-69.7-3.7000112.6Q551 Y557 G558Q551-N555 PolarHBondContact O-N 3.19Å; N555-Y557 PolarHBondContact O-N 3.48Å; N555-Y557 VanDerWaalsContact O-N 3.08Å; N555-G558 PolarHBondContact O-N 2.89Å
556S53.9Low48.1Very low84 Ų84105 Ų10559%0.58759%0.592SS**THydrogen-bonded Turntrans-67.1-5.1175.169.70000114.6R552 I554R552-S556 PolarHBondContact O-N 3Å; R552-S556 PolarHBondContact O-OG 3.03Å; I554-S556 PolarHBondContact O-N 3.44Å
557Y48.9Very low46.4Very low133 Ų133107.7 Ų107.752%0.52262%0.618SS.*THydrogen-bonded Turntrans-117.622.2177.2-63.8-91.5000113.1R553 I554 N555 T559R553-Y557 WeakPolarHBondContact O-CD2 3.41Å; R553-Y557 VanDerWaalsContact O-CE2 3.25Å; R553-Y557 WeakPolarHBondContact O-CE2 3.46Å; I554-Y557 PolarHBondContact O-N 2.97Å; N555-Y557 PolarHBondContact O-N 3.48Å; N555-Y557 VanDerWaalsContact O-N 3.08Å; Y557-T559 PolarHBondContact O-N 3.42Å; Y557-T559 PolarHBondContact O-OG1 3.07Å
558G36.5Very low44.9Very low66 Ų66107.5 Ų107.568%0.6864%0.64SS**SBendtrans62.75.6147.600000122.1N555N555-G558 PolarHBondContact O-N 2.89Å
559T44.7Very low43.4Very low121 Ų121102.4 Ų102.474%0.74264%0.638SS**  trans-153.644.7-17344.20000116.7Y557Y557-T559 PolarHBondContact O-N 3.42Å; Y557-T559 PolarHBondContact O-OG1 3.07Å
560F38.4Very low42Very low112 Ų112104 Ų10449%0.49166%0.655SS.*  trans-100.918.7-176.9-78.7-80.2000117.3I554I554-F560 HydrophobicContact CB-CD2 4.42Å; I554-F560 HydrophobicContact CB-CE2 4.35Å; I554-F560 HydrophobicContact CG2-CB 4.24Å; I554-F560 HydrophobicContact CG2-CD1 4.41Å; I554-F560 HydrophobicContact CG2-CD2 3.41Å; I554-F560 VanDerWaalsContact CG2-CD2 3.41Å; I554-F560 HydrophobicContact CG2-CE2 3.74Å; I554-F560 HydrophobicContact CG2-CG 3.77Å; I554-F560 HydrophobicContact CG2-CZ 4.38Å; I554-F560 WeakPolarHBondContact O-CD2 3.47Å
561G32.4Very low40.7Very low76 Ų76107.7 Ų107.778%0.78469%0.691SS**  trans-111.582.8-178.800000115.1
562A30.8Very low40.1Very low100 Ų100107.4 Ų107.483%0.82669%0.694SS**  trans160.490.8147.400000113.4
563S35.4Very low39.3Very low128 Ų128102.2 Ų102.290%0.89569%0.688SS**  trans-178.8110.5143.5-177.40000111.4
564K33.6Very low38.6Very low190 Ų190106.8 Ų106.883%0.82671%0.711SS**  trans-91.5140.2173.5-91.1179.5175.2178.50111.2
565T38.6Very low38Very low143 Ų143109.6 Ų109.688%0.87773%0.727SS**  trans65.3130.4147.559.60000119.8
566G32.3Very low37.6Very low75 Ų75108.5 Ų108.577%0.77373%0.726SS**  cis175.6155.41.200000111.3
567A33.2Very low37Very low110 Ų110113 Ų11391%0.90974%0.735SS**  trans73.8100.3161.600000122.4G569A567-G569 PolarHBondContact O-N 3.16Å
568G27.8Very low36.8Very low97 Ų97108.7 Ų108.7100%173%0.725SS**SBendtrans98.4-13.3130.600000120.9
569G30.2Very low37.4Very low61 Ų61115.7 Ų115.763%0.62973%0.73SS**SBendtrans-147.6156.2-175.800000112.2A567 A571A567-G569 PolarHBondContact O-N 3.16Å; G569-A571 PolarHBondContact O-N 3.22Å
570V35Very low37.7Very low133 Ų133117.1 Ų117.181%0.80673%0.726SS**  trans-37.691.3179178.10000112.4V572V570-V572 VanDerWaalsContact C-N 3.25Å; V570-V572 HydrophobicContact CG1-CG2 3.68Å; V570-V572 PolarHBondContact O-N 3.34Å
571A32.5Very low38.4Very low105 Ų105118.6 Ų118.687%0.86873%0.733SS**  trans-81.177.2179.900000109.9G569G569-A571 PolarHBondContact O-N 3.22Å
572V42.2Very low39.2Very low70 Ų70117 Ų11742%0.42471%0.713SS.*  trans-73.8128.8168.9157.30000109.1V570 S578V570-V572 VanDerWaalsContact C-N 3.25Å; V570-V572 HydrophobicContact CG1-CG2 3.68Å; V570-V572 PolarHBondContact O-N 3.34Å; V572-S578 WeakPolarHBondContact CG1-OG 3.44Å
573A38.9Very low40.4Very low62 Ų62115 Ų11551%0.51270%0.696SS.*  trans-51.1152-173.700000114.5D575A573-D575 PolarHBondContact O-N 3.17Å
574K39Very low41.6Very low221 Ų221114.4 Ų114.496%0.96168%0.677SS**SBendtrans-5010.9-176.5-87.4177169.8178.60118.1
575D41.5Very low42.7Very low92 Ų92108.8 Ų108.849%0.49266%0.658SS.*  trans-80.7130.2176.7-76.7-32.8000112A573 K577 S578 R579A573-D575 PolarHBondContact O-N 3.17Å; D575-K577 PolarHBondContact O-N 3.12Å; D575-K577 VanDerWaalsContact O-N 3.09Å; D575-S578 WeakPolarHBondContact O-CB 3.44Å; D575-S578 PolarHBondContact O-N 2.98Å; D575-R579 PolarHBondContact O-N 3Å
576P43.9Very low44Very low99 Ų99108.3 Ų108.364%0.64365%0.647SS**Hα-helixtrans-60.7-24.1-177.622.2-32.3000113.7
577K40.5Very low45.6Very low180 Ų180110.7 Ų110.778%0.78363%0.633SS**Hα-helixtrans-72.5-29.6174.9-69.2-178.9179.6175.20112.5D575D575-K577 PolarHBondContact O-N 3.12Å; D575-K577 VanDerWaalsContact O-N 3.09Å
578S45.3Very low47.2Very low42 Ų42109.5 Ų109.529%0.29461%0.611SS.*Hα-helixtrans-80.1-29.7-177.3-137.30000112.8V572 D575 F581 A582V572-S578 WeakPolarHBondContact CG1-OG 3.44Å; D575-S578 WeakPolarHBondContact O-CB 3.44Å; D575-S578 PolarHBondContact O-N 2.98Å; S578-F581 PolarHBondContact O-N 3.29Å; S578-A582 PolarHBondContact O-N 3.5Å
579R49.4Very low49Very low213 Ų213108.2 Ų108.280%0.80459%0.587SS**Hα-helixtrans-62.3-38.1169.5-112.6-179.4179.9-179.6-0.5112.8D575 A582 A583D575-R579 PolarHBondContact O-N 3Å; R579-A582 PolarHBondContact O-N 3.49Å; R579-A583 WeakPolarHBondContact O-CB 3.18Å; R579-A583 PolarHBondContact O-N 3.06Å
580K51.5Low51Low151 Ų151110 Ų11066%0.65758%0.581SS**Hα-helixtrans-64.8-40.7178.3-68.6-177-178.7-179.10111.9F584K580-F584 WeakPolarHBondContact O-CB 3.17Å; K580-F584 PolarHBondContact O-N 3.05Å
581F53.1Low52.6Low142 Ų142107.7 Ų107.762%0.62356%0.561SS**Hα-helixtrans-68.4-42177.2-172.3-101.5000111.7S578 F584 V585S578-F581 PolarHBondContact O-N 3.29Å; F581-F584 PolarHBondContact O-N 3.35Å; F581-V585 HydrophobicContact CD1-CG2 4.11Å; F581-V585 HydrophobicContact CE1-CG2 3.76Å; F581-V585 HydrophobicContact CE2-CG2 4.43Å; F581-V585 HydrophobicContact CZ-CG2 3.94Å; F581-V585 WeakPolarHBondContact O-CG2 3.31Å; F581-V585 PolarHBondContact O-N 3.21Å
582A48.4Very low54.5Low44 Ų44105.7 Ų105.736%0.36454%0.538SS..Hα-helixtrans-61.4-45.6175.100000112.2S578 R579 F584 V585 E586S578-A582 PolarHBondContact O-N 3.5Å; R579-A582 PolarHBondContact O-N 3.49Å; A582-F584 VanDerWaalsContact C-N 3.32Å; A582-F584 PolarHBondContact O-N 2.89Å; A582-V585 PolarHBondContact O-N 3.41Å; A582-E586 WeakPolarHBondContact O-CB 3.38Å; A582-E586 PolarHBondContact O-N 3.01Å
583A56.4Low55.9Low57 Ų57102.7 Ų102.747%0.47152%0.52SS..Hα-helixtrans-64.8-33.9175.700000112.8R579 Y587R579-A583 WeakPolarHBondContact O-CB 3.18Å; R579-A583 PolarHBondContact O-N 3.06Å; A583-Y587 WeakPolarHBondContact O-CB 3.21Å; A583-Y587 PolarHBondContact O-N 3.09Å
584F60.6Low57.6Low116 Ų116102 Ų10251%0.50951%0.509SS..Hα-helixtrans-67.3-44.7174176.5-102.1000111.9K580 F581 A582 E586 Y587 L588K580-F584 WeakPolarHBondContact O-CB 3.17Å; K580-F584 PolarHBondContact O-N 3.05Å; F581-F584 PolarHBondContact O-N 3.35Å; A582-F584 VanDerWaalsContact C-N 3.32Å; A582-F584 PolarHBondContact O-N 2.89Å; F584-E586 VanDerWaalsContact C-N 3.3Å; F584-E586 PolarHBondContact O-N 3.12Å; F584-Y587 PolarHBondContact O-N 3.18Å; F584-L588 HydrophobicContact CE1-CD2 4.39Å; F584-L588 VanDerWaalsContact O-CB 3.3Å; F584-L588 WeakPolarHBondContact O-CB 3.39Å; F584-L588 PolarHBondContact O-N 3.43Å
585V56Low59.7Low71 Ų7197.5 Ų97.543%0.4349%0.487SS..Hα-helixtrans-63.8-37.8176172.90000110.8F581 A582 S589F581-V585 HydrophobicContact CD1-CG2 4.11Å; F581-V585 HydrophobicContact CE1-CG2 3.76Å; F581-V585 HydrophobicContact CE2-CG2 4.43Å; F581-V585 HydrophobicContact CZ-CG2 3.94Å; F581-V585 WeakPolarHBondContact O-CG2 3.31Å; F581-V585 PolarHBondContact O-N 3.21Å; A582-V585 PolarHBondContact O-N 3.41Å; V585-S589 WeakPolarHBondContact O-CB 3.38Å; V585-S589 PolarHBondContact O-N 2.99Å
586E66Low61.7Low134 Ų13494.4 Ų94.463%0.62647%0.469SS*.Hα-helixtrans-68.1-43.5175-167.4176.6-176.300112.4A582 F584 S589 N590A582-E586 WeakPolarHBondContact O-CB 3.38Å; A582-E586 PolarHBondContact O-N 3.01Å; F584-E586 VanDerWaalsContact C-N 3.3Å; F584-E586 PolarHBondContact O-N 3.12Å; E586-S589 PolarHBondContact O-N 2.89Å; E586-N590 WeakPolarHBondContact O-CB 3.39Å; E586-N590 PolarHBondContact O-N 3.18Å
587Y66.6Low63.7Low124 Ų12490.3 Ų90.349%0.48644%0.442SS..Hα-helixtrans-60.9-46173.5172.1-97.3000111.9A583 F584 N590 K591A583-Y587 WeakPolarHBondContact O-CB 3.21Å; A583-Y587 PolarHBondContact O-N 3.09Å; F584-Y587 PolarHBondContact O-N 3.18Å; Y587-N590 PolarHBondContact O-N 3.39Å; Y587-K591 HydrophobicContact CD1-CG 4.41Å; Y587-K591 HydrophobicContact CD2-CG 4.3Å; Y587-K591 HydrophobicContact CE1-CG 3.96Å; Y587-K591 HydrophobicContact CE2-CD 4.37Å; Y587-K591 HydrophobicContact CE2-CG 3.84Å; Y587-K591 WeakPolarHBondContact O-CB 3.39Å; Y587-K591 WeakPolarHBondContact O-CG 3.26Å; Y587-K591 PolarHBondContact O-N 3.05Å; Y587-K591 WeakPolarHBondContact OH-CE 3.44Å
588L66.9Low65.7Low86 Ų8687.6 Ų87.645%0.4543%0.43SS..Hα-helixtrans-64.1-43.6178.9-169.470000110.5F584 N590 K591 V592F584-L588 HydrophobicContact CE1-CD2 4.39Å; F584-L588 VanDerWaalsContact O-CB 3.3Å; F584-L588 WeakPolarHBondContact O-CB 3.39Å; F584-L588 PolarHBondContact O-N 3.43Å; L588-N590 PolarHBondContact O-N 3.42Å; L588-K591 PolarHBondContact O-N 2.85Å; L588-V592 HydrophobicContact CD1-CG2 4.43Å; L588-V592 HydrophobicContact CG-CG2 4.27Å; L588-V592 WeakPolarHBondContact O-CB 3.45Å; L588-V592 VanDerWaalsContact O-CG2 3.22Å; L588-V592 WeakPolarHBondContact O-CG2 3.32Å; L588-V592 PolarHBondContact O-N 3.21Å
589S65.4Low67.6Low70 Ų7089 Ų8949%0.4944%0.436SS..Hα-helixtrans-59.6-45.2175-175.20000112.2V585 E586 K591 S593V585-S589 WeakPolarHBondContact O-CB 3.38Å; V585-S589 PolarHBondContact O-N 2.99Å; E586-S589 PolarHBondContact O-N 2.89Å; S589-K591 PolarHBondContact O-N 3.14Å; S589-S593 WeakPolarHBondContact O-CB 3.31Å; S589-S593 PolarHBondContact O-N 3.06Å; S589-S593 PolarHBondContact O-OG 3.34Å; S589-S593 VanDerWaalsContact O-OG 3.08Å
590N71.3Confident69.4Low97 Ų9778.8 Ų78.852%0.51940%0.398SS..Hα-helixtrans-67.5-34.1176.2-97.9-19.7000113E586 Y587 L588 S593 V594E586-N590 WeakPolarHBondContact O-CB 3.39Å; E586-N590 PolarHBondContact O-N 3.18Å; Y587-N590 PolarHBondContact O-N 3.39Å; L588-N590 PolarHBondContact O-N 3.42Å; N590-S593 WeakPolarHBondContact CA-OG 3.27Å; N590-S593 PolarHBondContact O-OG 3.04Å; N590-V594 WeakPolarHBondContact O-CG2 3.2Å; N590-V594 PolarHBondContact O-N 3.02Å
591K69.2Low71Confident85 Ų8572.6 Ų72.637%0.3737%0.374SS..Hα-helixtrans-75.4-44.1177-75.5-71.3-179.2-1790112.4Y587 L588 S589 S593 V594 Y595Y587-K591 HydrophobicContact CD1-CG 4.41Å; Y587-K591 HydrophobicContact CD2-CG 4.3Å; Y587-K591 HydrophobicContact CE1-CG 3.96Å; Y587-K591 HydrophobicContact CE2-CD 4.37Å; Y587-K591 HydrophobicContact CE2-CG 3.84Å; Y587-K591 WeakPolarHBondContact O-CB 3.39Å; Y587-K591 WeakPolarHBondContact O-CG 3.26Å; Y587-K591 PolarHBondContact O-N 3.05Å; Y587-K591 WeakPolarHBondContact OH-CE 3.44Å; L588-K591 PolarHBondContact O-N 2.85Å; S589-K591 PolarHBondContact O-N 3.14Å; K591-S593 VanDerWaalsContact C-N 3.26Å; K591-S593 PolarHBondContact O-N 2.73Å; K591-V594 PolarHBondContact O-N 3.26Å; K591-Y595 HydrophobicContact CD-CE2 4.09Å; K591-Y595 VanDerWaalsContact O-CD2 3.29Å; K591-Y595 WeakPolarHBondContact O-CD2 3.24Å; K591-Y595 PolarHBondContact O-N 3.24Å
592V73.6Confident72.6Confident64 Ų6470 Ų7039%0.38837%0.369SS..Hα-helixtrans-59.1-41.8175.8170.90000109.8L588 V594 Y595 F596 F721L588-V592 HydrophobicContact CD1-CG2 4.43Å; L588-V592 HydrophobicContact CG-CG2 4.27Å; L588-V592 WeakPolarHBondContact O-CB 3.45Å; L588-V592 VanDerWaalsContact O-CG2 3.22Å; L588-V592 WeakPolarHBondContact O-CG2 3.32Å; L588-V592 PolarHBondContact O-N 3.21Å; V592-V594 VanDerWaalsContact C-N 3.33Å; V592-V594 PolarHBondContact O-N 3.11Å; V592-Y595 PolarHBondContact O-N 3.17Å; V592-F596 HydrophobicContact CG1-CD2 4.27Å; V592-F596 WeakPolarHBondContact O-CB 3.49Å; V592-F596 PolarHBondContact O-N 3.47Å; V592-F721 HydrophobicContact CG1-CE1 4.29Å; V592-F721 HydrophobicContact CG1-CZ 4.19Å
593S71Confident74.4Confident6 Ų669.6 Ų69.64%0.04236%0.362CS..Hα-helixtrans-65.4-28.3178.764.40000114.8S589 N590 K591 P724S589-S593 WeakPolarHBondContact O-CB 3.31Å; S589-S593 PolarHBondContact O-N 3.06Å; S589-S593 PolarHBondContact O-OG 3.34Å; S589-S593 VanDerWaalsContact O-OG 3.08Å; N590-S593 WeakPolarHBondContact CA-OG 3.27Å; N590-S593 PolarHBondContact O-OG 3.04Å; K591-S593 VanDerWaalsContact C-N 3.26Å; K591-S593 PolarHBondContact O-N 2.73Å; S593-P724 WeakPolarHBondContact OG-CB 3.43Å
594V75.3Confident76Confident48 Ų4866.9 Ų66.929%0.29134%0.34SS..Hα-helixtrans-79.7-34.6176.3173.20000112.3N590 K591 V592 A728N590-V594 WeakPolarHBondContact O-CG2 3.2Å; N590-V594 PolarHBondContact O-N 3.02Å; K591-V594 PolarHBondContact O-N 3.26Å; V592-V594 VanDerWaalsContact C-N 3.33Å; V592-V594 PolarHBondContact O-N 3.11Å; V594-A728 HydrophobicContact CG1-CB 4.48Å; V594-A728 HydrophobicContact CG2-CB 4.1Å
595Y81.8Confident77.4Confident127 Ų12762.7 Ų62.750%0.49832%0.323SS..Hα-helixtrans-97.8-6.4-174.5-67.5-66.8000114.8K591 V592 I597 F598K591-Y595 HydrophobicContact CD-CE2 4.09Å; K591-Y595 VanDerWaalsContact O-CD2 3.29Å; K591-Y595 WeakPolarHBondContact O-CD2 3.24Å; K591-Y595 PolarHBondContact O-N 3.24Å; V592-Y595 PolarHBondContact O-N 3.17Å; Y595-I597 PolarHBondContact O-N 3.16Å; Y595-I597 VanDerWaalsContact O-N 3.08Å; Y595-F598 HydrophobicContact CD1-CD2 4.07Å; Y595-F598 AromaticContact CD1-CE2 3.95Å; Y595-F598 HydrophobicContact CD1-CE2 3.95Å; Y595-F598 PolarHBondContact O-N 3.39Å; Y595-F598 VanDerWaalsContact O-N 3.13Å
596F84.2Confident78.8Confident27 Ų2762.7 Ų62.712%0.11832%0.323CS..Hα-helixtrans-58.7-25.3-177.7-155.9-97.5000113.7V592 F598 V599 V600 V713 L716 Q717 F721V592-F596 HydrophobicContact CG1-CD2 4.27Å; V592-F596 WeakPolarHBondContact O-CB 3.49Å; V592-F596 PolarHBondContact O-N 3.47Å; F596-F598 VanDerWaalsContact C-N 3.25Å; F596-F598 PolarHBondContact O-N 3.19Å; F596-V599 WeakPolarHBondContact O-CB 3.3Å; F596-V599 PolarHBondContact O-N 3.3Å; F596-V600 HydrophobicContact CD1-CG2 3.74Å; F596-V600 HydrophobicContact CE1-CG2 3.87Å; F596-V600 WeakPolarHBondContact O-CG2 3.21Å; F596-V600 PolarHBondContact O-N 3.24Å; F596-V600 VanDerWaalsContact O-N 3.08Å; F596-V713 HydrophobicContact CE1-CG1 3.96Å; F596-V713 HydrophobicContact CZ-CG1 4.14Å; F596-L716 HydrophobicContact CE1-CB 4.44Å; F596-L716 HydrophobicContact CZ-CB 4.29Å; F596-Q717 HydrophobicContact CD1-CB 3.99Å; F596-Q717 VanDerWaalsContact CD1-OE1 3.23Å; F596-Q717 HydrophobicContact CE1-CB 4.04Å; F596-F721 HydrophobicContact CB-CB 4.2Å; F596-F721 HydrophobicContact CB-CD2 3.97Å; F596-F721 HydrophobicContact CB-CG 4.16Å; F596-F721 AromaticContact CD1-CD2 3.5Å; F596-F721 HydrophobicContact CD1-CD2 3.5Å; F596-F721 HydrophobicContact CD1-CE2 4.1Å; F596-F721 HydrophobicContact CD1-CG 4.39Å; F596-F721 AromaticContact CD2-CD2 3.68Å; F596-F721 HydrophobicContact CD2-CD2 3.68Å; F596-F721 AromaticContact CD2-CE2 3.55Å; F596-F721 HydrophobicContact CD2-CE2 3.55Å; F596-F721 HydrophobicContact CD2-CZ 4.33Å; F596-F721 AromaticContact CE1-CD2 3.78Å; F596-F721 HydrophobicContact CE1-CD2 3.78Å; F596-F721 HydrophobicContact CE1-CE2 4.05Å; F596-F721 AromaticContact CE2-CD2 3.97Å; F596-F721 HydrophobicContact CE2-CD2 3.97Å; F596-F721 AromaticContact CE2-CE2 3.53Å; F596-F721 HydrophobicContact CE2-CE2 3.53Å; F596-F721 HydrophobicContact CE2-CZ 4.43Å; F596-F721 HydrophobicContact CG-CB 4.49Å; F596-F721 AromaticContact CG-CD2 3.43Å; F596-F721 HydrophobicContact CG-CD2 3.43Å; F596-F721 VanDerWaalsContact CG-CD2 3.43Å; F596-F721 AromaticContact CG-CE2 3.84Å; F596-F721 HydrophobicContact CG-CE2 3.84Å; F596-F721 HydrophobicContact CG-CG 4.13Å; F596-F721 HydrophobicContact CZ-CD2 4Å; F596-F721 AromaticContact CZ-CE2 3.78Å; F596-F721 HydrophobicContact CZ-CE2 3.78Å
597I84.6Confident79.7Confident12 Ų1256.7 Ų56.76%0.06230%0.295CS..Hα-helixtrans-59.3-33.8177.3-162.9168.5000113.2Y595 V600 S601 Y638 W646 W725Y595-I597 PolarHBondContact O-N 3.16Å; Y595-I597 VanDerWaalsContact O-N 3.08Å; I597-V600 PolarHBondContact O-N 3.39Å; I597-S601 PolarHBondContact O-N 2.79Å; I597-Y638 WeakPolarHBondContact CD1-OH 3.47Å; I597-W646 HydrophobicContact CD1-CZ2 4.26Å; I597-W646 HydrophobicContact CG1-CZ2 3.85Å; I597-W725 HydrophobicContact CD1-CD2 4.26Å; I597-W725 HydrophobicContact CD1-CH2 4.1Å; I597-W725 HydrophobicContact CD1-CZ2 3.59Å
598F83.7Confident80.6Confident123 Ų12350.8 Ų50.854%0.53927%0.272SS..Hα-helixtrans-68.8-38.5175.2-66.6-69.5000111.1Y595 F596 V600 S601 V602Y595-F598 HydrophobicContact CD1-CD2 4.07Å; Y595-F598 AromaticContact CD1-CE2 3.95Å; Y595-F598 HydrophobicContact CD1-CE2 3.95Å; Y595-F598 PolarHBondContact O-N 3.39Å; Y595-F598 VanDerWaalsContact O-N 3.13Å; F596-F598 VanDerWaalsContact C-N 3.25Å; F596-F598 PolarHBondContact O-N 3.19Å; F598-V600 VanDerWaalsContact C-N 3.34Å; F598-V600 PolarHBondContact O-N 3.2Å; F598-S601 PolarHBondContact O-N 2.84Å; F598-V602 WeakPolarHBondContact O-CB 3.29Å; F598-V602 VanDerWaalsContact O-CG2 3.29Å; F598-V602 WeakPolarHBondContact O-CG2 3.4Å; F598-V602 PolarHBondContact O-N 2.99Å
599V84.6Confident81.4Confident71 Ų7146.7 Ų46.743%0.4325%0.251SS..Hα-helixtrans-61-45.4176-179.20000110.1F596 S601 V602 V603F596-V599 WeakPolarHBondContact O-CB 3.3Å; F596-V599 PolarHBondContact O-N 3.3Å; V599-S601 PolarHBondContact O-N 3.37Å; V599-V602 PolarHBondContact O-N 3.32Å; V599-V603 HydrophobicContact CG1-CG2 4.39Å; V599-V603 VanDerWaalsContact O-CG2 3.29Å; V599-V603 WeakPolarHBondContact O-CG2 3.32Å; V599-V603 PolarHBondContact O-N 2.99Å
600V87.4Confident82.1Confident0 Ų045.6 Ų45.60%024%0.242CC..Hα-helixtrans-63.4-42.7177.2-169.30000111.5F596 I597 F598 V602 V603 L604 W646 V713 T714 Q717F596-V600 HydrophobicContact CD1-CG2 3.74Å; F596-V600 HydrophobicContact CE1-CG2 3.87Å; F596-V600 WeakPolarHBondContact O-CG2 3.21Å; F596-V600 PolarHBondContact O-N 3.24Å; F596-V600 VanDerWaalsContact O-N 3.08Å; I597-V600 PolarHBondContact O-N 3.39Å; F598-V600 VanDerWaalsContact C-N 3.34Å; F598-V600 PolarHBondContact O-N 3.2Å; V600-V602 VanDerWaalsContact C-N 3.32Å; V600-V602 PolarHBondContact O-N 3.26Å; V600-V603 PolarHBondContact O-N 3.49Å; V600-L604 WeakPolarHBondContact O-CB 3.49Å; V600-L604 PolarHBondContact O-N 2.98Å; V600-W646 HydrophobicContact CB-CH2 4.05Å; V600-W646 HydrophobicContact CB-CZ3 4.11Å; V600-W646 HydrophobicContact CG1-CE3 3.72Å; V600-W646 HydrophobicContact CG1-CH2 3.68Å; V600-W646 HydrophobicContact CG1-CZ2 4.49Å; V600-W646 HydrophobicContact CG1-CZ3 3.23Å; V600-V713 HydrophobicContact CG2-CG1 4.02Å; V600-T714 HydrophobicContact CG1-CG2 4.08Å; V600-Q717 HydrophobicContact CG2-CB 3.9Å; V600-Q717 HydrophobicContact CG2-CG 4.04Å
601S85.8Confident82.3Confident21 Ų2143.9 Ų43.915%0.14723%0.23CC..Hα-helixtrans-67-31.2179-163.50000113.3I597 F598 V599 L605I597-S601 PolarHBondContact O-N 2.79Å; F598-S601 PolarHBondContact O-N 2.84Å; V599-S601 PolarHBondContact O-N 3.37Å; S601-L605 PolarHBondContact O-N 3.32Å
602V86Confident82.6Confident86 Ų8642.7 Ų42.752%0.52124%0.237SC..Hα-helixtrans-73.8-46.3174.9169.20000110.7F598 V599 V600 L604 L605 V606F598-V602 WeakPolarHBondContact O-CB 3.29Å; F598-V602 VanDerWaalsContact O-CG2 3.29Å; F598-V602 WeakPolarHBondContact O-CG2 3.4Å; F598-V602 PolarHBondContact O-N 2.99Å; V599-V602 PolarHBondContact O-N 3.32Å; V600-V602 VanDerWaalsContact C-N 3.32Å; V600-V602 PolarHBondContact O-N 3.26Å; V602-L604 PolarHBondContact O-N 3.45Å; V602-L605 PolarHBondContact O-N 3.28Å; V602-L605 VanDerWaalsContact O-N 3.12Å; V602-V606 HydrophobicContact CG1-CG2 4.3Å; V602-V606 WeakPolarHBondContact O-CG2 3.33Å; V602-V606 PolarHBondContact O-N 3.29Å
603V87.2Confident82.8Confident37 Ų3741 Ų4122%0.22423%0.227CC..Hα-helixtrans-60.8-37.8176.6175.90000110.6V599 V600 V606 V607 L710V599-V603 HydrophobicContact CG1-CG2 4.39Å; V599-V603 VanDerWaalsContact O-CG2 3.29Å; V599-V603 WeakPolarHBondContact O-CG2 3.32Å; V599-V603 PolarHBondContact O-N 2.99Å; V600-V603 PolarHBondContact O-N 3.49Å; V603-V606 PolarHBondContact O-N 3.03Å; V603-V607 HydrophobicContact CG1-CG2 4.33Å; V603-V607 WeakPolarHBondContact O-CB 3.41Å; V603-V607 VanDerWaalsContact O-CG2 3.28Å; V603-V607 WeakPolarHBondContact O-CG2 3.49Å; V603-V607 PolarHBondContact O-N 3.48Å; V603-L710 HydrophobicContact CG1-CD1 4.02Å
604L89.7Confident83.4Confident0 Ų042.2 Ų42.20%023%0.233CC..Hα-helixtrans-62.9-43.4173.8-176.163.5000112.5V600 V602 S608 F620 W624 F645 L649 L710V600-L604 WeakPolarHBondContact O-CB 3.49Å; V600-L604 PolarHBondContact O-N 2.98Å; V602-L604 PolarHBondContact O-N 3.45Å; L604-S608 WeakPolarHBondContact O-CB 3.3Å; L604-S608 PolarHBondContact O-N 3.06Å; L604-S608 VanDerWaalsContact O-N 3.1Å; L604-S608 PolarHBondContact O-OG 2.81Å; L604-F620 HydrophobicContact CD1-CB 4.24Å; L604-F620 HydrophobicContact CD1-CD1 3.85Å; L604-F620 HydrophobicContact CD1-CG 4.41Å; L604-W624 HydrophobicContact CD2-CB 4.11Å; L604-W624 HydrophobicContact CG-CB 4.31Å; L604-F645 HydrophobicContact CD2-CE1 4.45Å; L604-F645 HydrophobicContact CD2-CZ 4.23Å; L604-L649 HydrophobicContact CD1-CD1 4.01Å; L604-L649 HydrophobicContact CD1-CD2 4.22Å; L604-L710 HydrophobicContact CD1-CD2 4.4Å
605L88.6Confident83.9Confident28 Ų2844 Ų4415%0.14724%0.237CC..Hα-helixtrans-62.4-47.2175.3-179.364.7000111.1S601 V602 V607 S608 T609 F621 W624 I897S601-L605 PolarHBondContact O-N 3.32Å; V602-L605 PolarHBondContact O-N 3.28Å; V602-L605 VanDerWaalsContact O-N 3.12Å; L605-V607 PolarHBondContact O-N 3.02Å; L605-S608 WeakPolarHBondContact CA-OG 3.46Å; L605-S608 PolarHBondContact O-N 3.25Å; L605-S608 PolarHBondContact O-OG 3.3Å; L605-T609 HydrophobicContact CD1-CG2 3.96Å; L605-T609 PolarHBondContact O-N 3.34Å; L605-T609 PolarHBondContact O-OG1 2.95Å; L605-T609 VanDerWaalsContact O-OG1 3.1Å; L605-F621 HydrophobicContact CD1-CD2 4.33Å; L605-F621 HydrophobicContact CD1-CE2 4.16Å; L605-W624 HydrophobicContact CD1-CD2 3.89Å; L605-W624 HydrophobicContact CD1-CE3 4.06Å; L605-W624 HydrophobicContact CD1-CG 4.42Å; L605-W624 HydrophobicContact CD1-CH2 4.19Å; L605-W624 HydrophobicContact CD1-CZ2 4Å; L605-W624 HydrophobicContact CD1-CZ3 4.21Å; L605-W624 HydrophobicContact CD2-CZ2 4.02Å; L605-I897 HydrophobicContact CD2-CG2 4.46Å
606V86.1Confident84.1Confident71 Ų7139.5 Ų39.543%0.4322%0.219SC..Hα-helixtrans-59.6-48.3179.9170.20000111.3V602 V603 S608 T609 C610V602-V606 HydrophobicContact CG1-CG2 4.3Å; V602-V606 WeakPolarHBondContact O-CG2 3.33Å; V602-V606 PolarHBondContact O-N 3.29Å; V603-V606 PolarHBondContact O-N 3.03Å; V606-S608 PolarHBondContact O-N 3.4Å; V606-T609 PolarHBondContact O-N 3.31Å; V606-C610 VanDerWaalsContact O-CB 3.27Å; V606-C610 WeakPolarHBondContact O-CB 3.41Å; V606-C610 PolarHBondContact O-N 3.49Å; V606-C610 PolarHBondContact O-SG 3.26Å
607V85.2Confident84.3Confident8 Ų838.2 Ų38.25%0.04821%0.214CC..Hα-helixtrans-62.4-31.1176.8174.20000111.3V603 L605 F620 A706 L710V603-V607 HydrophobicContact CG1-CG2 4.33Å; V603-V607 WeakPolarHBondContact O-CB 3.41Å; V603-V607 VanDerWaalsContact O-CG2 3.28Å; V603-V607 WeakPolarHBondContact O-CG2 3.49Å; V603-V607 PolarHBondContact O-N 3.48Å; L605-V607 PolarHBondContact O-N 3.02Å; V607-F620 HydrophobicContact CG1-CD2 4.11Å; V607-F620 HydrophobicContact CG1-CE2 4.21Å; V607-A706 HydrophobicContact CG2-CB 4.42Å; V607-L710 HydrophobicContact CG1-CD2 4.42Å
608S85.7Confident84.5Confident0 Ų038.6 Ų38.60%022%0.216CC..Hα-helixtrans-79.3-26.8179.572.90000115.4L604 L605 V606L604-S608 WeakPolarHBondContact O-CB 3.3Å; L604-S608 PolarHBondContact O-N 3.06Å; L604-S608 VanDerWaalsContact O-N 3.1Å; L604-S608 PolarHBondContact O-OG 2.81Å; L605-S608 WeakPolarHBondContact CA-OG 3.46Å; L605-S608 PolarHBondContact O-N 3.25Å; L605-S608 PolarHBondContact O-OG 3.3Å; V606-S608 PolarHBondContact O-N 3.4Å
609T83.1Confident84.8Confident0 Ų036.7 Ų36.70%021%0.211CC..Hα-helixtrans-112.1-18.6-173.159.50000115.3L605 V606 F621 P889L605-T609 HydrophobicContact CD1-CG2 3.96Å; L605-T609 PolarHBondContact O-N 3.34Å; L605-T609 PolarHBondContact O-OG1 2.95Å; L605-T609 VanDerWaalsContact O-OG1 3.1Å; V606-T609 PolarHBondContact O-N 3.31Å; T609-F621 HydrophobicContact CG2-CD2 4.07Å; T609-F621 HydrophobicContact CG2-CE2 4.23Å; T609-P889 VanDerWaalsContact O-CD 3.28Å; T609-P889 WeakPolarHBondContact O-CD 3.49Å; T609-P889 WeakPolarHBondContact O-CG 3.31Å
610C80.1Confident85Confident47 Ų4733.4 Ų33.432%0.31819%0.19SC..SBendtrans-85.3-16.6-176.4-73.70000114.4V606V606-C610 VanDerWaalsContact O-CB 3.27Å; V606-C610 WeakPolarHBondContact O-CB 3.41Å; V606-C610 PolarHBondContact O-N 3.49Å; V606-C610 PolarHBondContact O-SG 3.26Å
611F76.5Confident85.2Confident60 Ų6033.4 Ų33.426%0.26319%0.19SC..SBendtrans-103.8159.7176.6-61.4-72.5000110.1N617 A706F611-N617 WeakPolarHBondContact CB-ND2 3.35Å; F611-A706 HydrophobicContact CE2-CB 3.4Å; F611-A706 VanDerWaalsContact CE2-CB 3.4Å; F611-A706 HydrophobicContact CZ-CB 3.41Å; F611-A706 VanDerWaalsContact CZ-CB 3.41Å
612A74.8Confident85.3Confident61 Ų6134 Ų3450%0.50420%0.197SC..  trans-51.2143.5175.800000111.1N614 N617A612-N614 VanDerWaalsContact C-N 3.28Å; A612-N614 PolarHBondContact O-N 3.04Å; A612-N617 PolarHBondContact O-ND2 3.41Å
613P78Confident85.5Confident27 Ų2732.1 Ų32.118%0.17518%0.184CC..  trans-69.283.8-176.528.4-33.7000111.3I618 M845 Q848 L849P613-I618 HydrophobicContact CB-CD1 4.48Å; P613-I618 HydrophobicContact CB-CG1 4.45Å; P613-M845 HydrophobicContact CB-CE 4.38Å; P613-Q848 HydrophobicContact CG-CB 3.87Å; P613-L849 VanDerWaalsContact O-CD2 3.31Å; P613-L849 WeakPolarHBondContact O-CD2 3.46Å
614N82.8Confident85.7Confident32 Ų3230.8 Ų30.817%0.17118%0.175CC..  trans-93.7161.2170.5-61.3-16.3000109.9A612 Y616 N617 I618A612-N614 VanDerWaalsContact C-N 3.28Å; A612-N614 PolarHBondContact O-N 3.04Å; N614-Y616 VanDerWaalsContact C-N 3.27Å; N614-Y616 HydrophobicContact CB-CD1 4.24Å; N614-Y616 HydrophobicContact CB-CE1 4.1Å; N614-Y616 PolarHBondContact O-N 3.5Å; N614-Y616 VanDerWaalsContact O-N 3.16Å; N614-N617 PolarHBondContact O-N 3.41Å; N614-I618 WeakPolarHBondContact O-CG1 3.39Å; N614-I618 PolarHBondContact O-N 2.88Å
615F86.4Confident85.5Confident85 Ų8531 Ų3137%0.37318%0.177SC..Hα-helixtrans-52.8-41.4179.4-87.3-76.9000113.5N617 L619 W682 A685F615-N617 VanDerWaalsContact C-N 3.34Å; F615-N617 PolarHBondContact O-N 3.47Å; F615-L619 WeakPolarHBondContact O-CB 3.18Å; F615-L619 PolarHBondContact O-N 3.06Å; F615-W682 HydrophobicContact CE2-CZ3 4.02Å; F615-W682 HydrophobicContact CZ-CZ3 4.28Å; F615-A685 HydrophobicContact CD2-CB 4.36Å; F615-A685 WeakPolarHBondContact CD2-O 3.32Å; F615-A685 HydrophobicContact CE2-CB 4.26Å; F615-A685 PolarHBondContact N-O 3Å; F615-A685 VanDerWaalsContact N-O 3.07Å
616Y86.6Confident85.4Confident33 Ų3332.9 Ų32.913%0.12919%0.186CC..Hα-helixtrans-68.9-30.917969.5-106.1000113.2N614 F620 Y652 I686N614-Y616 VanDerWaalsContact C-N 3.27Å; N614-Y616 HydrophobicContact CB-CD1 4.24Å; N614-Y616 HydrophobicContact CB-CE1 4.1Å; N614-Y616 PolarHBondContact O-N 3.5Å; N614-Y616 VanDerWaalsContact O-N 3.16Å; Y616-F620 HydrophobicContact CD2-CD2 4.23Å; Y616-F620 AromaticContact CD2-CE2 3.95Å; Y616-F620 HydrophobicContact CD2-CE2 3.95Å; Y616-F620 WeakPolarHBondContact O-CD2 3.44Å; Y616-F620 WeakPolarHBondContact O-CG 3.45Å; Y616-F620 PolarHBondContact O-N 3.41Å; Y616-Y652 WeakPolarHBondContact CA-OH 3.49Å; Y616-Y652 WeakPolarHBondContact CB-OH 3.44Å; Y616-I686 WeakPolarHBondContact CD1-O 3.47Å
617N87.2Confident85.5Confident1 Ų129.9 Ų29.91%0.00517%0.168CC..Hα-helixtrans-74.7-42.9176.4-71.8-26.6000111.8F611 A612 N614 F615 L619 F620 F621F611-N617 WeakPolarHBondContact CB-ND2 3.35Å; A612-N617 PolarHBondContact O-ND2 3.41Å; N614-N617 PolarHBondContact O-N 3.41Å; F615-N617 VanDerWaalsContact C-N 3.34Å; F615-N617 PolarHBondContact O-N 3.47Å; N617-L619 PolarHBondContact O-N 3.36Å; N617-F620 WeakPolarHBondContact O-CB 3.27Å; N617-F620 PolarHBondContact O-N 3.14Å; N617-F620 VanDerWaalsContact O-N 3.11Å; N617-F621 PolarHBondContact O-N 3Å
618I88.2Confident85.5Confident20 Ų2030.7 Ų30.710%0.10317%0.172CC..Hα-helixtrans-59.2-39.1172.6-64.5171.1000109.9P613 N614 F621 A622 M845 L849P613-I618 HydrophobicContact CB-CD1 4.48Å; P613-I618 HydrophobicContact CB-CG1 4.45Å; N614-I618 WeakPolarHBondContact O-CG1 3.39Å; N614-I618 PolarHBondContact O-N 2.88Å; I618-F621 PolarHBondContact O-N 3.3Å; I618-A622 WeakPolarHBondContact O-CB 3.39Å; I618-A622 PolarHBondContact O-N 3.47Å; I618-M845 HydrophobicContact CG1-CE 4.42Å; I618-L849 HydrophobicContact CD1-CD1 3.86Å; I618-L849 HydrophobicContact CD1-CD2 3.97Å; I618-L849 HydrophobicContact CD1-CG 3.92Å
619L89.9Confident85.5Confident83 Ų8334.3 Ų34.344%0.43519%0.19SC..Hα-helixtrans-66.8-39.1175.2-17061.5000112.3F615 N617 F621 A622 L623 Y652F615-L619 WeakPolarHBondContact O-CB 3.18Å; F615-L619 PolarHBondContact O-N 3.06Å; N617-L619 PolarHBondContact O-N 3.36Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 2.85Å; L619-A622 PolarHBondContact O-N 3.41Å; L619-L623 VanDerWaalsContact O-CG 3.31Å; L619-L623 WeakPolarHBondContact O-CG 3.49Å; L619-L623 PolarHBondContact O-N 3.47Å; L619-Y652 HydrophobicContact CD2-CE2 4.14Å
620F90.7Very high85.6Confident1 Ų138.2 Ų38.20%0.00421%0.206CC..Hα-helixtrans-60.4-40.4170.9-73-55000112.1L604 V607 Y616 N617 L623 W624 L649 Y652 T653 L710L604-F620 HydrophobicContact CD1-CB 4.24Å; L604-F620 HydrophobicContact CD1-CD1 3.85Å; L604-F620 HydrophobicContact CD1-CG 4.41Å; V607-F620 HydrophobicContact CG1-CD2 4.11Å; V607-F620 HydrophobicContact CG1-CE2 4.21Å; Y616-F620 HydrophobicContact CD2-CD2 4.23Å; Y616-F620 AromaticContact CD2-CE2 3.95Å; Y616-F620 HydrophobicContact CD2-CE2 3.95Å; Y616-F620 WeakPolarHBondContact O-CD2 3.44Å; Y616-F620 WeakPolarHBondContact O-CG 3.45Å; Y616-F620 PolarHBondContact O-N 3.41Å; N617-F620 WeakPolarHBondContact O-CB 3.27Å; N617-F620 PolarHBondContact O-N 3.14Å; N617-F620 VanDerWaalsContact O-N 3.11Å; F620-L623 PolarHBondContact O-N 3.33Å; F620-W624 PolarHBondContact O-N 2.91Å; F620-W624 VanDerWaalsContact O-N 3.07Å; F620-L649 HydrophobicContact CD1-CD1 4Å; F620-L649 HydrophobicContact CE1-CD1 3.78Å; F620-Y652 HydrophobicContact CD1-CD1 4.22Å; F620-Y652 AromaticContact CD1-CE1 3.92Å; F620-Y652 HydrophobicContact CD1-CE1 3.92Å; F620-Y652 HydrophobicContact CD2-CE1 4.48Å; F620-Y652 AromaticContact CE1-CD1 3.41Å; F620-Y652 HydrophobicContact CE1-CD1 3.41Å; F620-Y652 VanDerWaalsContact CE1-CD1 3.41Å; F620-Y652 AromaticContact CE1-CE1 3.36Å; F620-Y652 HydrophobicContact CE1-CE1 3.36Å; F620-Y652 AromaticContact CE2-CE1 3.97Å; F620-Y652 HydrophobicContact CE2-CE1 3.97Å; F620-Y652 HydrophobicContact CG-CE1 4.46Å; F620-Y652 AromaticContact CZ-CD1 3.67Å; F620-Y652 HydrophobicContact CZ-CD1 3.67Å; F620-Y652 AromaticContact CZ-CE1 3.37Å; F620-Y652 HydrophobicContact CZ-CE1 3.37Å; F620-T653 HydrophobicContact CE1-CG2 4.26Å; F620-T653 HydrophobicContact CZ-CG2 4.21Å; F620-L710 HydrophobicContact CD1-CD2 4.41Å; F620-L710 HydrophobicContact CE1-CD2 3.85Å; F620-L710 HydrophobicContact CZ-CD2 4.17Å
621F89.9Confident85.8Confident0 Ų037.1 Ų37.10%020%0.196CC..Hα-helixtrans-66.9-41.3176.4-172.2-99.4000112.1L605 T609 N617 I618 L619 L623 W624 A625 A841 L842 M845 L893L605-F621 HydrophobicContact CD1-CD2 4.33Å; L605-F621 HydrophobicContact CD1-CE2 4.16Å; T609-F621 HydrophobicContact CG2-CD2 4.07Å; T609-F621 HydrophobicContact CG2-CE2 4.23Å; N617-F621 PolarHBondContact O-N 3Å; I618-F621 PolarHBondContact O-N 3.3Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 2.85Å; F621-L623 VanDerWaalsContact C-N 3.34Å; F621-L623 PolarHBondContact O-N 3.15Å; F621-W624 HydrophobicContact CD2-CE3 4.39Å; F621-W624 HydrophobicContact CE2-CE3 4.04Å; F621-W624 HydrophobicContact CE2-CZ3 4.1Å; F621-W624 HydrophobicContact CZ-CE3 4.38Å; F621-W624 HydrophobicContact CZ-CZ3 4.24Å; F621-W624 WeakPolarHBondContact O-CB 3.39Å; F621-W624 PolarHBondContact O-N 3.23Å; F621-W624 VanDerWaalsContact O-N 3.14Å; F621-A625 PolarHBondContact O-N 3.22Å; F621-A841 HydrophobicContact CE1-CB 4.13Å; F621-A841 HydrophobicContact CZ-CB 4.19Å; F621-L842 HydrophobicContact CD1-CD2 4.07Å; F621-L842 HydrophobicContact CE1-CD2 4.41Å; F621-M845 HydrophobicContact CB-SD 3.97Å; F621-M845 HydrophobicContact CD1-SD 3.6Å; F621-M845 HydrophobicContact CD2-SD 4.03Å; F621-M845 HydrophobicContact CE1-SD 4.04Å; F621-M845 HydrophobicContact CE2-SD 4.43Å; F621-M845 HydrophobicContact CG-SD 3.59Å; F621-M845 VanDerWaalsContact CG-SD 3.59Å; F621-M845 HydrophobicContact CZ-SD 4.44Å; F621-L893 HydrophobicContact CE2-CD1 4.47Å; F621-L893 HydrophobicContact CZ-CD1 4.36Å
622A89.5Confident86.3Confident34 Ų3435.4 Ų35.428%0.28119%0.189SC..Hα-helixtrans-61.6-41.7174.700000111.7I618 L619 W624 A625 L626I618-A622 WeakPolarHBondContact O-CB 3.39Å; I618-A622 PolarHBondContact O-N 3.47Å; L619-A622 PolarHBondContact O-N 3.41Å; A622-W624 VanDerWaalsContact C-N 3.29Å; A622-W624 PolarHBondContact O-N 3.23Å; A622-A625 PolarHBondContact O-N 2.78Å; A622-L626 WeakPolarHBondContact O-CB 3.48Å; A622-L626 PolarHBondContact O-N 3.4Å
623L89.6Confident86.7Confident47 Ų4739.5 Ų39.525%0.24620%0.196CC..Hα-helixtrans-63.6-33.8174.2-71.2172.8000112.2L619 F620 F621 N627 F645 L649L619-L623 VanDerWaalsContact O-CG 3.31Å; L619-L623 WeakPolarHBondContact O-CG 3.49Å; L619-L623 PolarHBondContact O-N 3.47Å; F620-L623 PolarHBondContact O-N 3.33Å; F621-L623 VanDerWaalsContact C-N 3.34Å; F621-L623 PolarHBondContact O-N 3.15Å; L623-N627 WeakPolarHBondContact O-CB 3.25Å; L623-N627 PolarHBondContact O-N 3Å; L623-F645 HydrophobicContact CB-CE2 4.2Å; L623-F645 HydrophobicContact CB-CZ 4.21Å; L623-F645 HydrophobicContact CD2-CE2 4.1Å; L623-F645 WeakPolarHBondContact O-CZ 3.4Å; L623-L649 HydrophobicContact CD1-CD1 4.45Å
624W90.8Very high87Confident9 Ų940.2 Ų40.23%0.03420%0.201CC..Hα-helixtrans-70.2-45.8173.6178.187.9000112.8L604 L605 F620 F621 A622 L626 N627 L628 I897L604-W624 HydrophobicContact CD2-CB 4.11Å; L604-W624 HydrophobicContact CG-CB 4.31Å; L605-W624 HydrophobicContact CD1-CD2 3.89Å; L605-W624 HydrophobicContact CD1-CE3 4.06Å; L605-W624 HydrophobicContact CD1-CG 4.42Å; L605-W624 HydrophobicContact CD1-CH2 4.19Å; L605-W624 HydrophobicContact CD1-CZ2 4Å; L605-W624 HydrophobicContact CD1-CZ3 4.21Å; L605-W624 HydrophobicContact CD2-CZ2 4.02Å; F620-W624 PolarHBondContact O-N 2.91Å; F620-W624 VanDerWaalsContact O-N 3.07Å; F621-W624 HydrophobicContact CD2-CE3 4.39Å; F621-W624 HydrophobicContact CE2-CE3 4.04Å; F621-W624 HydrophobicContact CE2-CZ3 4.1Å; F621-W624 HydrophobicContact CZ-CE3 4.38Å; F621-W624 HydrophobicContact CZ-CZ3 4.24Å; F621-W624 WeakPolarHBondContact O-CB 3.39Å; F621-W624 PolarHBondContact O-N 3.23Å; F621-W624 VanDerWaalsContact O-N 3.14Å; A622-W624 VanDerWaalsContact C-N 3.29Å; A622-W624 PolarHBondContact O-N 3.23Å; W624-L626 PolarHBondContact O-N 3.41Å; W624-N627 WeakPolarHBondContact O-CB 2.91Å; W624-N627 PolarHBondContact O-N 2.85Å; W624-L628 HydrophobicContact CD2-CD1 4.4Å; W624-L628 HydrophobicContact CE3-CD1 4.48Å; W624-L628 HydrophobicContact CH2-CD1 3.62Å; W624-L628 HydrophobicContact CZ2-CD1 3.5Å; W624-L628 HydrophobicContact CZ3-CD1 4.13Å; W624-L628 PolarHBondContact O-N 3.27Å; W624-I897 HydrophobicContact CH2-CG2 4.23Å
625A86.9Confident86.9Confident5 Ų542.4 Ų42.44%0.04121%0.209CC..Hα-helixtrans-63-42.3177.700000111.7F621 A622 N627 L628 I629 F838F621-A625 PolarHBondContact O-N 3.22Å; A622-A625 PolarHBondContact O-N 2.78Å; A625-N627 VanDerWaalsContact C-N 3.33Å; A625-N627 PolarHBondContact O-N 3.25Å; A625-L628 PolarHBondContact O-N 3.04Å; A625-L628 VanDerWaalsContact O-N 3.11Å; A625-I629 WeakPolarHBondContact O-CG1 3.42Å; A625-I629 PolarHBondContact O-N 3.01Å; A625-F838 HydrophobicContact CB-CD1 3.96Å; A625-F838 HydrophobicContact CB-CE1 3.97Å
626L86.3Confident86.8Confident67 Ų6748.9 Ų48.935%0.35123%0.231SC..Hα-helixtrans-64.8-35.9178.7-175.6142.3000112A622 W624 L628 I629 Y630A622-L626 WeakPolarHBondContact O-CB 3.48Å; A622-L626 PolarHBondContact O-N 3.4Å; W624-L626 PolarHBondContact O-N 3.41Å; L626-L628 PolarHBondContact O-N 2.99Å; L626-I629 PolarHBondContact O-N 3.45Å; L626-Y630 HydrophobicContact CD2-CD2 3.8Å; L626-Y630 HydrophobicContact CD2-CE1 4.48Å; L626-Y630 HydrophobicContact CD2-CE2 3.06Å; L626-Y630 VanDerWaalsContact CD2-CZ 3.45Å; L626-Y630 HydrophobicContact CG-CD2 4.41Å; L626-Y630 HydrophobicContact CG-CE1 4.37Å; L626-Y630 HydrophobicContact CG-CE2 3.79Å; L626-Y630 WeakPolarHBondContact O-CD2 3Å; L626-Y630 VanDerWaalsContact O-CG 3.27Å; L626-Y630 PolarHBondContact O-N 3.1Å; L626-Y630 VanDerWaalsContact O-N 3.08Å
627N86.3Confident86.6Confident8 Ų851.1 Ų51.14%0.04325%0.245CC..Hα-helixtrans-58.8-42.2170.4176.216.3000112L623 W624 A625 L631 Y638 F645L623-N627 WeakPolarHBondContact O-CB 3.25Å; L623-N627 PolarHBondContact O-N 3Å; W624-N627 WeakPolarHBondContact O-CB 2.91Å; W624-N627 PolarHBondContact O-N 2.85Å; A625-N627 VanDerWaalsContact C-N 3.33Å; A625-N627 PolarHBondContact O-N 3.25Å; N627-L631 PolarHBondContact O-N 2.98Å; N627-Y638 WeakPolarHBondContact OD1-CE2 3.31Å; N627-Y638 PolarHBondContact OD1-OH 3.28Å; N627-Y638 VanDerWaalsContact OD1-OH 3.1Å; N627-F645 HydrophobicContact CB-CZ 4.17Å
628L86.9Confident86.6Confident25 Ų2552.5 Ų52.513%0.13125%0.25CS..Hα-helixtrans-76.5-35.3178.1-68.1-176.5000114.2W624 A625 L626 Y630 L631 K632 F838 I900W624-L628 HydrophobicContact CD2-CD1 4.4Å; W624-L628 HydrophobicContact CE3-CD1 4.48Å; W624-L628 HydrophobicContact CH2-CD1 3.62Å; W624-L628 HydrophobicContact CZ2-CD1 3.5Å; W624-L628 HydrophobicContact CZ3-CD1 4.13Å; W624-L628 PolarHBondContact O-N 3.27Å; A625-L628 PolarHBondContact O-N 3.04Å; A625-L628 VanDerWaalsContact O-N 3.11Å; L626-L628 PolarHBondContact O-N 2.99Å; L628-Y630 VanDerWaalsContact C-N 3.34Å; L628-L631 HydrophobicContact CD2-CD2 4.49Å; L628-L631 WeakPolarHBondContact O-CB 3.44Å; L628-L631 PolarHBondContact O-N 3.33Å; L628-K632 PolarHBondContact O-N 3.34Å; L628-F838 HydrophobicContact CB-CZ 3.97Å; L628-F838 HydrophobicContact CD1-CZ 4.48Å; L628-I900 HydrophobicContact CD1-CG2 3.95Å
629I84.3Confident86.4Confident75 Ų7556.5 Ų56.539%0.38526%0.264SS..Hα-helixtrans-62.6-43.7174.1-70.3172.6000110.1A625 L626 L631 K632 F633 F838A625-I629 WeakPolarHBondContact O-CG1 3.42Å; A625-I629 PolarHBondContact O-N 3.01Å; L626-I629 PolarHBondContact O-N 3.45Å; I629-L631 PolarHBondContact O-N 3.47Å; I629-K632 PolarHBondContact O-N 3.02Å; I629-F633 VanDerWaalsContact O-CB 3.32Å; I629-F633 WeakPolarHBondContact O-CB 3.02Å; I629-F633 PolarHBondContact O-N 3.17Å; I629-F838 HydrophobicContact CD1-CD2 3.63Å; I629-F838 HydrophobicContact CD1-CE2 3.93Å; I629-F838 HydrophobicContact CD1-CG 4.24Å; I629-F838 HydrophobicContact CG1-CD2 3.53Å; I629-F838 HydrophobicContact CG1-CE2 3.28Å; I629-F838 HydrophobicContact CG1-CG 4.47Å; I629-F838 HydrophobicContact CG1-CZ 4.06Å
630Y85.7Confident86.2Confident83 Ų8355.6 Ų55.633%0.32528%0.275SS..Hα-helixtrans-59.5-34.9174.9-67.8-25.3000112.4L626 L628 S634 L637 L641L626-Y630 HydrophobicContact CD2-CD2 3.8Å; L626-Y630 HydrophobicContact CD2-CE1 4.48Å; L626-Y630 HydrophobicContact CD2-CE2 3.06Å; L626-Y630 VanDerWaalsContact CD2-CZ 3.45Å; L626-Y630 HydrophobicContact CG-CD2 4.41Å; L626-Y630 HydrophobicContact CG-CE1 4.37Å; L626-Y630 HydrophobicContact CG-CE2 3.79Å; L626-Y630 WeakPolarHBondContact O-CD2 3Å; L626-Y630 VanDerWaalsContact O-CG 3.27Å; L626-Y630 PolarHBondContact O-N 3.1Å; L626-Y630 VanDerWaalsContact O-N 3.08Å; L628-Y630 VanDerWaalsContact C-N 3.34Å; Y630-S634 CarbonylContact O-C 3.55Å; Y630-S634 PolarHBondContact O-N 3.11Å; Y630-S634 VanDerWaalsContact O-N 3.15Å; Y630-S634 VanDerWaalsContact O-O 3.1Å; Y630-L637 HydrophobicContact CD1-CD2 4.28Å; Y630-L637 HydrophobicContact CG-CD2 4.42Å; Y630-L641 HydrophobicContact CE2-CD1 4.4Å
631L85.5Confident86Confident24 Ų2459.5 Ų59.513%0.12630%0.296CS..Hα-helixtrans-66.7-46174-178.467000112.8N627 L628 I629 F635 Y638 I908N627-L631 PolarHBondContact O-N 2.98Å; L628-L631 HydrophobicContact CD2-CD2 4.49Å; L628-L631 WeakPolarHBondContact O-CB 3.44Å; L628-L631 PolarHBondContact O-N 3.33Å; I629-L631 PolarHBondContact O-N 3.47Å; L631-F635 HydrophobicContact CD1-CD2 3.7Å; L631-F635 HydrophobicContact CD1-CE2 4.22Å; L631-Y638 HydrophobicContact CD1-CD1 4.26Å; L631-I908 HydrophobicContact CD2-CD1 4.27Å; L631-I908 HydrophobicContact CD2-CG1 4.38Å
632K85.6Confident85.8Confident23 Ų2359.7 Ų59.710%0.130%0.297CS..Hα-helixtrans-70.2-36.4-179.4-106.1-79-177.2174.90112.7L628 I629 S830 L903 S907L628-K632 PolarHBondContact O-N 3.34Å; I629-K632 PolarHBondContact O-N 3.02Å; K632-S830 PolarHBondContact NZ-OG 2.76Å; K632-L903 VanDerWaalsContact CE-C 3.41Å; K632-L903 WeakPolarHBondContact CE-O 3.21Å; K632-L903 PolarHBondContact NZ-O 2.99Å; K632-S907 WeakPolarHBondContact CE-OG 3.41Å
633F83.9Confident85.7Confident148 Ų14864.2 Ų64.265%0.64931%0.308SS*.Hα-helixtrans-72.3-54.6179.5-172.8-99.6000112.1I629I629-F633 VanDerWaalsContact O-CB 3.32Å; I629-F633 WeakPolarHBondContact O-CB 3.02Å; I629-F633 PolarHBondContact O-N 3.17Å
634S83.3Confident85.6Confident41 Ų4164.4 Ų64.429%0.28732%0.316SS..  trans-161.7116.8177.8-179.60000113.6Y630 R636 L637 Y638Y630-S634 CarbonylContact O-C 3.55Å; Y630-S634 PolarHBondContact O-N 3.11Å; Y630-S634 VanDerWaalsContact O-N 3.15Å; Y630-S634 VanDerWaalsContact O-O 3.1Å; S634-R636 VanDerWaalsContact C-N 3.25Å; S634-R636 PolarHBondContact O-N 2.79Å; S634-L637 PolarHBondContact O-N 3.3Å; S634-Y638 PolarHBondContact O-N 3.46Å
635F82.1Confident85.6Confident78 Ų7865.7 Ų65.734%0.34232%0.322SS..Hα-helixtrans-60.6-28.8178.6-174.4-105.8000114.3L631 Y638 R639 T729L631-F635 HydrophobicContact CD1-CD2 3.7Å; L631-F635 HydrophobicContact CD1-CE2 4.22Å; F635-Y638 HydrophobicContact CD2-CD1 4.46Å; F635-Y638 HydrophobicContact CE2-CD1 4.37Å; F635-R639 PolarHBondContact O-N 2.85Å; F635-T729 HydrophobicContact CZ-CG2 4.39Å
636R82.7Confident85.6Confident221 Ų22165.6 Ų65.683%0.83432%0.32SS*.Hα-helixtrans-67.2-40.4178.8-73-173.8-173.6169.93.8111.9S634S634-R636 VanDerWaalsContact C-N 3.25Å; S634-R636 PolarHBondContact O-N 2.79Å
637L84.2Confident85.7Confident81 Ų8166.5 Ų66.542%0.42433%0.325SS..Hα-helixtrans-70.1-39.1-179.1-167.1144.3000110.4Y630 S634 R639 G640 L641Y630-L637 HydrophobicContact CD1-CD2 4.28Å; Y630-L637 HydrophobicContact CG-CD2 4.42Å; S634-L637 PolarHBondContact O-N 3.3Å; L637-R639 PolarHBondContact O-N 2.81Å; L637-G640 PolarHBondContact O-N 3.24Å; L637-L641 HydrophobicContact CD2-CD1 3.59Å; L637-L641 HydrophobicContact CG-CD1 4.42Å; L637-L641 PolarHBondContact O-N 3.33Å
638Y86.4Confident85.7Confident30 Ų3070.8 Ų70.812%0.11835%0.352CS..Hα-helixtrans-54.8-48.4175.1179.8-116.7000113.6I597 N627 L631 S634 F635 G640 L641 A642 W725I597-Y638 WeakPolarHBondContact CD1-OH 3.47Å; N627-Y638 WeakPolarHBondContact OD1-CE2 3.31Å; N627-Y638 PolarHBondContact OD1-OH 3.28Å; N627-Y638 VanDerWaalsContact OD1-OH 3.1Å; L631-Y638 HydrophobicContact CD1-CD1 4.26Å; S634-Y638 PolarHBondContact O-N 3.46Å; F635-Y638 HydrophobicContact CD2-CD1 4.46Å; F635-Y638 HydrophobicContact CE2-CD1 4.37Å; Y638-G640 VanDerWaalsContact C-N 3.29Å; Y638-G640 PolarHBondContact O-N 3.3Å; Y638-L641 PolarHBondContact O-N 2.99Å; Y638-A642 PolarHBondContact O-N 3.13Å; Y638-W725 HydrophobicContact CE1-CH2 4.27Å; Y638-W725 HydrophobicContact CE1-CZ2 4.1Å
639R84.5Confident85.8Confident103 Ų10369.8 Ų69.839%0.38935%0.346SS..Hα-helixtrans-63.3-33.3-178.6-169-179.466.4136.92113.2F635 L637 W725 S730F635-R639 PolarHBondContact O-N 2.85Å; L637-R639 PolarHBondContact O-N 2.81Å; R639-W725 HydrophobicContact CG-CH2 4.38Å; R639-W725 HydrophobicContact CG-CZ3 4.48Å; R639-S730 VanDerWaalsContact NH1-CA 3.35Å
640G84.4Confident85.9Confident65 Ų6566.4 Ų66.467%0.6733%0.329SS*.Hα-helixtrans-72.3-33.7-17900000113.9L637 Y638L637-G640 PolarHBondContact O-N 3.24Å; Y638-G640 VanDerWaalsContact C-N 3.29Å; Y638-G640 PolarHBondContact O-N 3.3Å
641L87.2Confident86Confident83 Ų8369.3 Ų69.344%0.43534%0.344SS..Hα-helixtrans-92.2-9.5-174.3-69172.6000114.3Y630 L637 Y638 Y643 A644 F645Y630-L641 HydrophobicContact CE2-CD1 4.4Å; L637-L641 HydrophobicContact CD2-CD1 3.59Å; L637-L641 HydrophobicContact CG-CD1 4.42Å; L637-L641 PolarHBondContact O-N 3.33Å; Y638-L641 PolarHBondContact O-N 2.99Å; L641-Y643 PolarHBondContact O-N 3.44Å; L641-A644 PolarHBondContact O-N 3.26Å; L641-F645 WeakPolarHBondContact O-CB 3.34Å; L641-F645 PolarHBondContact O-N 2.85Å
642A85.6Confident86.2Confident3 Ų370.9 Ų70.93%0.02535%0.349CS..Hα-helixtrans-60.2-42.4-17100000114.7Y638 F645 W646 W725Y638-A642 PolarHBondContact O-N 3.13Å; A642-F645 PolarHBondContact O-N 2.54Å; A642-W646 PolarHBondContact O-N 3.01Å; A642-W646 VanDerWaalsContact O-N 3.12Å; A642-W646 PolarHBondContact O-NE1 2.03Å; A642-W725 HydrophobicContact CB-CH2 4.14Å; A642-W725 HydrophobicContact CB-CZ3 3.98Å
643Y87.3Confident86.3Confident129 Ų12969.8 Ų69.851%0.50634%0.344SS..Hα-helixtrans-64.1-44.2179.9-175.5-97.5000112L641 F645 W646 L647 L718 H722L641-Y643 PolarHBondContact O-N 3.44Å; Y643-F645 VanDerWaalsContact C-N 3.35Å; Y643-W646 PolarHBondContact O-N 3.35Å; Y643-L647 PolarHBondContact O-N 3.48Å; Y643-L647 VanDerWaalsContact O-N 3.13Å; Y643-L718 HydrophobicContact CD2-CD2 4.09Å; Y643-L718 HydrophobicContact CE2-CD2 3.76Å; Y643-H722 AromaticContact CD2-CD2 3.62Å; Y643-H722 AromaticContact CD2-NE2 3.65Å
644A88.8Confident86.3Confident51 Ų5164.2 Ų64.242%0.42132%0.323SS..Hα-helixtrans-64.3-40.5177.200000111.5L641 L647 T648L641-A644 PolarHBondContact O-N 3.26Å; A644-L647 PolarHBondContact O-N 2.92Å; A644-T648 WeakPolarHBondContact O-CB 3.3Å; A644-T648 PolarHBondContact O-N 2.8Å; A644-T648 PolarHBondContact O-OG1 3.31Å
645F89.2Confident86.5Confident37 Ų3766.6 Ų66.616%0.16233%0.332CS..Hα-helixtrans-58.3-48.8175.8-177.5-98.5000111.9L604 L623 N627 L641 A642 Y643 T648 L649L604-F645 HydrophobicContact CD2-CE1 4.45Å; L604-F645 HydrophobicContact CD2-CZ 4.23Å; L623-F645 HydrophobicContact CB-CE2 4.2Å; L623-F645 HydrophobicContact CB-CZ 4.21Å; L623-F645 HydrophobicContact CD2-CE2 4.1Å; L623-F645 WeakPolarHBondContact O-CZ 3.4Å; N627-F645 HydrophobicContact CB-CZ 4.17Å; L641-F645 WeakPolarHBondContact O-CB 3.34Å; L641-F645 PolarHBondContact O-N 2.85Å; A642-F645 PolarHBondContact O-N 2.54Å; Y643-F645 VanDerWaalsContact C-N 3.35Å; F645-T648 PolarHBondContact O-N 2.78Å; F645-L649 WeakPolarHBondContact O-CB 3.4Å; F645-L649 PolarHBondContact O-N 3.08Å
646W88.1Confident86.7Confident2 Ų263.6 Ų63.61%0.00832%0.32CS..Hα-helixtrans-68-39.1-179.1-59.8125.3000113.7I597 V600 A642 Y643 L649 T650 Q717 L718I597-W646 HydrophobicContact CD1-CZ2 4.26Å; I597-W646 HydrophobicContact CG1-CZ2 3.85Å; V600-W646 HydrophobicContact CB-CH2 4.05Å; V600-W646 HydrophobicContact CB-CZ3 4.11Å; V600-W646 HydrophobicContact CG1-CE3 3.72Å; V600-W646 HydrophobicContact CG1-CH2 3.68Å; V600-W646 HydrophobicContact CG1-CZ2 4.49Å; V600-W646 HydrophobicContact CG1-CZ3 3.23Å; A642-W646 PolarHBondContact O-N 3.01Å; A642-W646 VanDerWaalsContact O-N 3.12Å; A642-W646 PolarHBondContact O-NE1 2.03Å; Y643-W646 PolarHBondContact O-N 3.35Å; W646-L649 HydrophobicContact CE3-CD2 3.94Å; W646-L649 HydrophobicContact CZ3-CD2 3.99Å; W646-L649 PolarHBondContact O-N 3.1Å; W646-T650 PolarHBondContact O-N 3.21Å; W646-T650 PolarHBondContact O-OG1 3.41Å; W646-Q717 HydrophobicContact CG-CG 4.47Å; W646-L718 HydrophobicContact CB-CD2 4.28Å; W646-L718 HydrophobicContact CB-CG 4.26Å
647L87Confident86.8Confident87 Ų8753.7 Ų53.746%0.45528%0.283SS..Hα-helixtrans-64.6-44177.1-17867.9000111.9Y643 A644 L649 T650 F651Y643-L647 PolarHBondContact O-N 3.48Å; Y643-L647 VanDerWaalsContact O-N 3.13Å; A644-L647 PolarHBondContact O-N 2.92Å; L647-L649 VanDerWaalsContact C-N 3.28Å; L647-L649 PolarHBondContact O-N 2.96Å; L647-T650 PolarHBondContact O-N 2.97Å; L647-F651 PolarHBondContact O-N 3.39Å; L647-F651 VanDerWaalsContact O-N 3.07Å
648T87.1Confident86.8Confident97 Ų9753.9 Ų53.960%0.59528%0.284SS*.Hα-helixtrans-61.2-40.9177.4-51.60000110.5A644 F645 F651 Y652A644-T648 WeakPolarHBondContact O-CB 3.3Å; A644-T648 PolarHBondContact O-N 2.8Å; A644-T648 PolarHBondContact O-OG1 3.31Å; F645-T648 PolarHBondContact O-N 2.78Å; T648-F651 PolarHBondContact O-N 3.03Å; T648-Y652 WeakPolarHBondContact O-CB 3.38Å; T648-Y652 PolarHBondContact O-N 3.41Å
649L89.5Confident86.7Confident4 Ų454.6 Ų54.62%0.02130%0.296CS..Hα-helixtrans-61.7-45.8175.3-174.562.7000112L604 F620 L623 F645 W646 L647 F651 Y652 T653 L710 T714L604-L649 HydrophobicContact CD1-CD1 4.01Å; L604-L649 HydrophobicContact CD1-CD2 4.22Å; F620-L649 HydrophobicContact CD1-CD1 4Å; F620-L649 HydrophobicContact CE1-CD1 3.78Å; L623-L649 HydrophobicContact CD1-CD1 4.45Å; F645-L649 WeakPolarHBondContact O-CB 3.4Å; F645-L649 PolarHBondContact O-N 3.08Å; W646-L649 HydrophobicContact CE3-CD2 3.94Å; W646-L649 HydrophobicContact CZ3-CD2 3.99Å; W646-L649 PolarHBondContact O-N 3.1Å; L647-L649 VanDerWaalsContact C-N 3.28Å; L647-L649 PolarHBondContact O-N 2.96Å; L649-F651 PolarHBondContact O-N 3.3Å; L649-Y652 PolarHBondContact O-N 3.43Å; L649-T653 WeakPolarHBondContact O-CG2 3.36Å; L649-T653 PolarHBondContact O-N 2.66Å; L649-T653 PolarHBondContact O-OG1 3.43Å; L649-L710 HydrophobicContact CD1-CD2 4.36Å; L649-L710 HydrophobicContact CD2-CD1 4.4Å; L649-T714 HydrophobicContact CD2-CG2 3.71Å; L649-T714 HydrophobicContact CG-CG2 4.2Å
650T86.7Confident86.7Confident4 Ų450 Ų503%0.02528%0.279CS..Hα-helixtrans-65.3-40.7-179.9-53.20000112.6W646 L647 T653 S654 F711 T714 M715 L718W646-T650 PolarHBondContact O-N 3.21Å; W646-T650 PolarHBondContact O-OG1 3.41Å; L647-T650 PolarHBondContact O-N 2.97Å; T650-T653 WeakPolarHBondContact CA-OG1 3.27Å; T650-T653 PolarHBondContact O-N 3.07Å; T650-T653 PolarHBondContact O-OG1 3.32Å; T650-S654 PolarHBondContact O-N 3Å; T650-S654 VanDerWaalsContact O-N 3.14Å; T650-S654 PolarHBondContact O-OG 2.95Å; T650-F711 HydrophobicContact CG2-CD2 3.61Å; T650-F711 HydrophobicContact CG2-CE2 3.65Å; T650-T714 WeakPolarHBondContact OG1-CB 3.45Å; T650-T714 PolarHBondContact OG1-OG1 2.94Å; T650-M715 HydrophobicContact CG2-CE 3.38Å; T650-M715 HydrophobicContact CG2-CG 3.95Å; T650-M715 HydrophobicContact CG2-SD 4.45Å; T650-L718 WeakPolarHBondContact OG1-CD1 3.42Å
651F87Confident86.7Confident144 Ų14447 Ų4763%0.63225%0.248SC*.Hα-helixtrans-63.6-44.1176.3-173.1-105.1000112L647 T648 L649 T653 S654 I655L647-F651 PolarHBondContact O-N 3.39Å; L647-F651 VanDerWaalsContact O-N 3.07Å; T648-F651 PolarHBondContact O-N 3.03Å; L649-F651 PolarHBondContact O-N 3.3Å; F651-T653 VanDerWaalsContact C-N 3.33Å; F651-T653 PolarHBondContact O-N 3.27Å; F651-S654 PolarHBondContact O-N 3.42Å; F651-I655 HydrophobicContact CD1-CD1 3.86Å; F651-I655 HydrophobicContact CE1-CD1 3.41Å; F651-I655 VanDerWaalsContact CE1-CD1 3.41Å; F651-I655 HydrophobicContact CE1-CG1 4.42Å; F651-I655 HydrophobicContact CZ-CD1 3.9Å; F651-I655 PolarHBondContact O-N 3.36Å
652Y89.3Confident86.6Confident58 Ų5846.1 Ų46.123%0.22724%0.242CC..Hα-helixtrans-58.2-43.5175179.7-114.5000111.7Y616 L619 F620 T648 L649 S654 I655 V656Y616-Y652 WeakPolarHBondContact CA-OH 3.49Å; Y616-Y652 WeakPolarHBondContact CB-OH 3.44Å; L619-Y652 HydrophobicContact CD2-CE2 4.14Å; F620-Y652 HydrophobicContact CD1-CD1 4.22Å; F620-Y652 AromaticContact CD1-CE1 3.92Å; F620-Y652 HydrophobicContact CD1-CE1 3.92Å; F620-Y652 HydrophobicContact CD2-CE1 4.48Å; F620-Y652 AromaticContact CE1-CD1 3.41Å; F620-Y652 HydrophobicContact CE1-CD1 3.41Å; F620-Y652 VanDerWaalsContact CE1-CD1 3.41Å; F620-Y652 AromaticContact CE1-CE1 3.36Å; F620-Y652 HydrophobicContact CE1-CE1 3.36Å; F620-Y652 AromaticContact CE2-CE1 3.97Å; F620-Y652 HydrophobicContact CE2-CE1 3.97Å; F620-Y652 HydrophobicContact CG-CE1 4.46Å; F620-Y652 AromaticContact CZ-CD1 3.67Å; F620-Y652 HydrophobicContact CZ-CD1 3.67Å; F620-Y652 AromaticContact CZ-CE1 3.37Å; F620-Y652 HydrophobicContact CZ-CE1 3.37Å; T648-Y652 WeakPolarHBondContact O-CB 3.38Å; T648-Y652 PolarHBondContact O-N 3.41Å; L649-Y652 PolarHBondContact O-N 3.43Å; Y652-S654 PolarHBondContact O-N 3.24Å; Y652-I655 PolarHBondContact O-N 3.23Å; Y652-V656 HydrophobicContact CE1-CG2 4.4Å; Y652-V656 HydrophobicContact CE2-CG2 4.31Å; Y652-V656 WeakPolarHBondContact O-CG2 3.46Å; Y652-V656 PolarHBondContact O-N 2.78Å
653T88.5Confident86.6Confident0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-63.6-36.117757.50000113.9F620 L649 T650 F651 V656 I657 L710F620-T653 HydrophobicContact CE1-CG2 4.26Å; F620-T653 HydrophobicContact CZ-CG2 4.21Å; L649-T653 WeakPolarHBondContact O-CG2 3.36Å; L649-T653 PolarHBondContact O-N 2.66Å; L649-T653 PolarHBondContact O-OG1 3.43Å; T650-T653 WeakPolarHBondContact CA-OG1 3.27Å; T650-T653 PolarHBondContact O-N 3.07Å; T650-T653 PolarHBondContact O-OG1 3.32Å; F651-T653 VanDerWaalsContact C-N 3.33Å; F651-T653 PolarHBondContact O-N 3.27Å; T653-V656 PolarHBondContact O-N 3.4Å; T653-I657 WeakPolarHBondContact O-CG1 3.37Å; T653-I657 PolarHBondContact O-N 2.65Å; T653-I657 VanDerWaalsContact O-N 3.11Å; T653-L710 HydrophobicContact CG2-CB 4.34Å; T653-L710 HydrophobicContact CG2-CD2 3.57Å; T653-L710 HydrophobicContact CG2-CG 3.88Å
654S84.3Confident86.4Confident31 Ų3140.7 Ų40.722%0.21722%0.221CC..Hα-helixtrans-66.7-38.1177.9-58.80000112.7T650 F651 Y652 I657 I658 F711T650-S654 PolarHBondContact O-N 3Å; T650-S654 VanDerWaalsContact O-N 3.14Å; T650-S654 PolarHBondContact O-OG 2.95Å; F651-S654 PolarHBondContact O-N 3.42Å; Y652-S654 PolarHBondContact O-N 3.24Å; S654-I657 PolarHBondContact O-N 2.94Å; S654-I658 WeakPolarHBondContact O-CG1 3.35Å; S654-I658 PolarHBondContact O-N 3.11Å; S654-F711 WeakPolarHBondContact OG-CD2 3.33Å; S654-F711 WeakPolarHBondContact OG-CE2 3.47Å
655I86.2Confident86Confident90 Ų9039.3 Ų39.346%0.46221%0.205SC..Hα-helixtrans-65.1-43.9176.5-67.9172.7000110.3F651 Y652 I657 I658 A659F651-I655 HydrophobicContact CD1-CD1 3.86Å; F651-I655 HydrophobicContact CE1-CD1 3.41Å; F651-I655 VanDerWaalsContact CE1-CD1 3.41Å; F651-I655 HydrophobicContact CE1-CG1 4.42Å; F651-I655 HydrophobicContact CZ-CD1 3.9Å; F651-I655 PolarHBondContact O-N 3.36Å; Y652-I655 PolarHBondContact O-N 3.23Å; I655-I657 PolarHBondContact O-N 3.04Å; I655-I658 PolarHBondContact O-N 2.91Å; I655-A659 WeakPolarHBondContact O-CB 3.24Å; I655-A659 PolarHBondContact O-N 3.14Å
656V86.4Confident85.3Confident16 Ų1640.2 Ų40.210%0.09722%0.215CC..Hα-helixtrans-60.2-44.7178.1174.10000111.3Y652 T653 I658 A659 L660Y652-V656 HydrophobicContact CE1-CG2 4.4Å; Y652-V656 HydrophobicContact CE2-CG2 4.31Å; Y652-V656 WeakPolarHBondContact O-CG2 3.46Å; Y652-V656 PolarHBondContact O-N 2.78Å; T653-V656 PolarHBondContact O-N 3.4Å; V656-I658 PolarHBondContact O-N 3.33Å; V656-A659 PolarHBondContact O-N 3.08Å; V656-L660 HydrophobicContact CG1-CD1 3.79Å; V656-L660 HydrophobicContact CG1-CG 4.39Å; V656-L660 WeakPolarHBondContact O-CB 3.34Å; V656-L660 VanDerWaalsContact O-CG 3.29Å; V656-L660 WeakPolarHBondContact O-CG 3.4Å; V656-L660 PolarHBondContact O-N 3.39Å
657I85.5Confident84.8Confident12 Ų1242.1 Ų42.16%0.06224%0.235CC..Hα-helixtrans-60.6-46.3178.8-69.3164.2000111.7T653 S654 I655 Y661 L704 P707 I708 F711T653-I657 WeakPolarHBondContact O-CG1 3.37Å; T653-I657 PolarHBondContact O-N 2.65Å; T653-I657 VanDerWaalsContact O-N 3.11Å; S654-I657 PolarHBondContact O-N 2.94Å; I655-I657 PolarHBondContact O-N 3.04Å; I657-Y661 PolarHBondContact O-N 3.48Å; I657-L704 HydrophobicContact CB-CD2 4.45Å; I657-L704 HydrophobicContact CG2-CD2 3.85Å; I657-P707 HydrophobicContact CD1-CB 4.29Å; I657-P707 HydrophobicContact CG1-CB 3.78Å; I657-I708 HydrophobicContact CD1-CG1 3.85Å; I657-I708 HydrophobicContact CG1-CG1 4.23Å; I657-F711 HydrophobicContact CD1-CB 4.21Å
658I83.5Confident84.4Confident86 Ų8640 Ų4044%0.44123%0.226SC..Hα-helixtrans-68.7-43.4-177.8-67.1169000110.8S654 I655 V656 L660 Y661 I662S654-I658 WeakPolarHBondContact O-CG1 3.35Å; S654-I658 PolarHBondContact O-N 3.11Å; I655-I658 PolarHBondContact O-N 2.91Å; V656-I658 PolarHBondContact O-N 3.33Å; I658-L660 PolarHBondContact O-N 3.34Å; I658-Y661 PolarHBondContact O-N 3.11Å; I658-I662 HydrophobicContact CG2-CD1 3.6Å; I658-I662 HydrophobicContact CG2-CG1 4.35Å; I658-I662 WeakPolarHBondContact O-CB 3.41Å; I658-I662 WeakPolarHBondContact O-CG1 3.35Å; I658-I662 PolarHBondContact O-N 3.12Å
659A84.2Confident83.9Confident44 Ų4435.8 Ų35.836%0.36420%0.2SC..Hα-helixtrans-61.5-44.3178.900000111.7I655 V656 Y663I655-A659 WeakPolarHBondContact O-CB 3.24Å; I655-A659 PolarHBondContact O-N 3.14Å; V656-A659 PolarHBondContact O-N 3.08Å; A659-Y663 PolarHBondContact O-N 3.48Å
660L85.4Confident83.4Confident7 Ų741.5 Ų41.54%0.03723%0.227CC..Hα-helixtrans-64.8-38.6178.2-71.6172.1000112.9V656 I658 Q664V656-L660 HydrophobicContact CG1-CD1 3.79Å; V656-L660 HydrophobicContact CG1-CG 4.39Å; V656-L660 WeakPolarHBondContact O-CB 3.34Å; V656-L660 VanDerWaalsContact O-CG 3.29Å; V656-L660 WeakPolarHBondContact O-CG 3.4Å; V656-L660 PolarHBondContact O-N 3.39Å; I658-L660 PolarHBondContact O-N 3.34Å; L660-Q664 WeakPolarHBondContact O-CG 3.08Å; L660-Q664 PolarHBondContact O-NE2 3.12Å
661Y84.6Confident83.2Confident2 Ų248.7 Ų48.71%0.00825%0.254CS..Hα-helixtrans-72.6-39.1179.5-172-82.4000112.6A438 H442 L447 L450 I657 I658 F665A438-Y661 PolarHBondContact O-OH 2.85Å; H442-Y661 AromaticContact CE1-CE1 3.93Å; H442-Y661 AromaticContact ND1-CE1 3.9Å; H442-Y661 AromaticContact ND1-CE2 3.9Å; H442-Y661 AromaticContact ND1-CZ 3.53Å; L447-Y661 HydrophobicContact CB-CE1 3.95Å; L447-Y661 HydrophobicContact CD1-CD1 3.68Å; L447-Y661 HydrophobicContact CD1-CE1 3.67Å; L447-Y661 HydrophobicContact CG-CE1 4.36Å; L450-Y661 HydrophobicContact CD2-CD1 4.31Å; L450-Y661 HydrophobicContact CD2-CD2 3.75Å; L450-Y661 HydrophobicContact CD2-CE2 4.03Å; L450-Y661 HydrophobicContact CD2-CG 3.9Å; I657-Y661 PolarHBondContact O-N 3.48Å; I658-Y661 PolarHBondContact O-N 3.11Å; Y661-F665 HydrophobicContact CD1-CE2 4.49Å; Y661-F665 HydrophobicContact CE1-CE2 4.16Å; Y661-F665 HydrophobicContact CE1-CZ 4.43Å
662I85.7Confident82.9Confident64 Ų6443.6 Ų43.633%0.32823%0.233SC..Hα-helixtrans-68.9-34.8-179.8-72.2174.6000111.8I658 Q664 F665 V668I658-I662 HydrophobicContact CG2-CD1 3.6Å; I658-I662 HydrophobicContact CG2-CG1 4.35Å; I658-I662 WeakPolarHBondContact O-CB 3.41Å; I658-I662 WeakPolarHBondContact O-CG1 3.35Å; I658-I662 PolarHBondContact O-N 3.12Å; I662-Q664 PolarHBondContact O-N 3.14Å; I662-Q664 VanDerWaalsContact O-N 3.11Å; I662-F665 PolarHBondContact O-N 2.62Å; I662-V668 HydrophobicContact CG2-CB 4.47Å; I662-V668 HydrophobicContact CG2-CG1 3.71Å; I662-V668 HydrophobicContact CG2-CG2 4.46Å
663Y85.4Confident82.6Confident7 Ų744.1 Ų44.13%0.02724%0.239CC..THydrogen-bonded Turntrans-62.9-17.8-178-166.4-105.4000113.9A659 I672 L688 D690A659-Y663 PolarHBondContact O-N 3.48Å; Y663-I672 HydrophobicContact CD2-CD1 3.85Å; Y663-I672 HydrophobicContact CE2-CD1 4.17Å; Y663-L688 HydrophobicContact CD1-CB 4.44Å; Y663-L688 HydrophobicContact CD2-CB 4.39Å; Y663-L688 HydrophobicContact CD2-CD2 4.47Å; Y663-L688 HydrophobicContact CE1-CB 4.34Å; Y663-L688 VanDerWaalsContact CE1-O 3.28Å; Y663-L688 WeakPolarHBondContact CE1-O 3.4Å; Y663-L688 HydrophobicContact CE2-CB 4.31Å; Y663-L688 HydrophobicContact CG-CB 4.47Å; Y663-L688 HydrophobicContact CG-CD2 4.39Å; Y663-D690 HydrophobicContact CE1-CB 4.44Å
664Q82.3Confident82.4Confident11 Ų1154 Ų545%0.05128%0.276CS..THydrogen-bonded Turntrans-82.5-14.2-174.5-52.7-64.4-40.200113.9L660 I662 P666 V689 F691 L700L660-Q664 WeakPolarHBondContact O-CG 3.08Å; L660-Q664 PolarHBondContact O-NE2 3.12Å; I662-Q664 PolarHBondContact O-N 3.14Å; I662-Q664 VanDerWaalsContact O-N 3.11Å; Q664-P666 WeakPolarHBondContact O-CD 3.31Å; Q664-V689 PolarHBondContact NE2-O 3.25Å; Q664-F691 VanDerWaalsContact OE1-N 3.11Å; Q664-L700 HydrophobicContact CB-CD1 4.22Å; Q664-L700 HydrophobicContact CG-CD1 3.39Å
665F80.2Confident82.4Confident22 Ų2257.1 Ų57.110%0.09629%0.29CS..SBendtrans-71120.4171-71.6-75.1000108.3H442 I444 Y661 I662 G667 V668 S669H442-F665 AromaticContact CE1-CE1 3.98Å; H442-F665 AromaticContact CE1-CE2 3.7Å; H442-F665 AromaticContact CE1-CZ 3.66Å; H442-F665 AromaticContact NE2-CD1 3.62Å; H442-F665 AromaticContact NE2-CE1 3.54Å; H442-F665 AromaticContact NE2-CE2 3.95Å; H442-F665 AromaticContact NE2-CG 3.86Å; H442-F665 AromaticContact NE2-CZ 3.71Å; I444-F665 HydrophobicContact CG1-CE1 3.82Å; I444-F665 HydrophobicContact CG1-CZ 4.02Å; Y661-F665 HydrophobicContact CD1-CE2 4.49Å; Y661-F665 HydrophobicContact CE1-CE2 4.16Å; Y661-F665 HydrophobicContact CE1-CZ 4.43Å; I662-F665 PolarHBondContact O-N 2.62Å; F665-G667 PolarHBondContact O-N 3.4Å; F665-G667 VanDerWaalsContact O-N 3.07Å; F665-V668 HydrophobicContact CB-CB 4.2Å; F665-V668 HydrophobicContact CB-CG2 3.84Å; F665-V668 PolarHBondContact O-N 3.22Å; F665-S669 PolarHBondContact O-N 2.71Å; F665-S669 VanDerWaalsContact O-N 3.12Å
666P75.2Confident82Confident57 Ų5755.8 Ų55.837%0.3729%0.286SS..Hα-helixtrans-60.5-26.6-175.319.9-30.5000112.8Q664 S669 Q670Q664-P666 WeakPolarHBondContact O-CD 3.31Å; P666-S669 PolarHBondContact O-OG 3.41Å; P666-Q670 WeakPolarHBondContact O-CB 3.36Å; P666-Q670 VanDerWaalsContact O-CG 3.25Å; P666-Q670 WeakPolarHBondContact O-CG 3.41Å; P666-Q670 PolarHBondContact O-N 3.17Å
667G76.1Confident81.5Confident41 Ų4160.6 Ų60.642%0.42332%0.321SS..Hα-helixtrans-69.6-29.9172.100000114.2F665 W671F665-G667 PolarHBondContact O-N 3.4Å; F665-G667 VanDerWaalsContact O-N 3.07Å; G667-W671 VanDerWaalsContact O-CB 3.28Å; G667-W671 WeakPolarHBondContact O-CB 3.32Å; G667-W671 PolarHBondContact O-N 3.48Å
668V79Confident81Confident42 Ų4263.4 Ų63.426%0.25534%0.335SS..Hα-helixtrans-85.8-39.9-178.3-177.80000111.7I662 F665 Q670 W671 I672I662-V668 HydrophobicContact CG2-CB 4.47Å; I662-V668 HydrophobicContact CG2-CG1 3.71Å; I662-V668 HydrophobicContact CG2-CG2 4.46Å; F665-V668 HydrophobicContact CB-CB 4.2Å; F665-V668 HydrophobicContact CB-CG2 3.84Å; F665-V668 PolarHBondContact O-N 3.22Å; V668-Q670 VanDerWaalsContact C-N 3.33Å; V668-Q670 PolarHBondContact O-N 3.02Å; V668-W671 WeakPolarHBondContact O-CB 3.32Å; V668-W671 PolarHBondContact O-N 2.86Å; V668-W671 VanDerWaalsContact O-N 3.12Å; V668-I672 HydrophobicContact CG1-CD1 4.23Å; V668-I672 HydrophobicContact CG1-CG1 4.49Å; V668-I672 PolarHBondContact O-N 3.22Å
669S77.9Confident80.9Confident9 Ų961.8 Ų61.86%0.06333%0.332CS..Hα-helixtrans-58.7-47.3174.362.40000110.8F665 P666 W671 I672 I673F665-S669 PolarHBondContact O-N 2.71Å; F665-S669 VanDerWaalsContact O-N 3.12Å; P666-S669 PolarHBondContact O-OG 3.41Å; S669-W671 VanDerWaalsContact C-N 3.29Å; S669-W671 PolarHBondContact O-N 2.88Å; S669-I672 PolarHBondContact O-N 3.17Å; S669-I673 WeakPolarHBondContact O-CG1 3.43Å; S669-I673 PolarHBondContact O-N 2.87Å; S669-I673 VanDerWaalsContact O-N 3.08Å
670Q77.5Confident80.6Confident124 Ų12465.7 Ų65.758%0.57934%0.342SS*.Hα-helixtrans-62.4-34.8174.5-70.1-1791.400112.7P666 V668 R674P666-Q670 WeakPolarHBondContact O-CB 3.36Å; P666-Q670 VanDerWaalsContact O-CG 3.25Å; P666-Q670 WeakPolarHBondContact O-CG 3.41Å; P666-Q670 PolarHBondContact O-N 3.17Å; V668-Q670 VanDerWaalsContact C-N 3.33Å; V668-Q670 PolarHBondContact O-N 3.02Å; Q670-R674 WeakPolarHBondContact O-CB 3.33Å; Q670-R674 PolarHBondContact O-N 3.07Å
671W82.6Confident80.3Confident155 Ų15572.6 Ų72.659%0.58738%0.375SS*.Hα-helixtrans-68-42.3176.8-178.188.4000112.5G667 V668 S669 R674 N675G667-W671 VanDerWaalsContact O-CB 3.28Å; G667-W671 WeakPolarHBondContact O-CB 3.32Å; G667-W671 PolarHBondContact O-N 3.48Å; V668-W671 WeakPolarHBondContact O-CB 3.32Å; V668-W671 PolarHBondContact O-N 2.86Å; V668-W671 VanDerWaalsContact O-N 3.12Å; S669-W671 VanDerWaalsContact C-N 3.29Å; S669-W671 PolarHBondContact O-N 2.88Å; W671-R674 PolarHBondContact O-N 2.84Å; W671-N675 PolarHBondContact NE1-ND2 2.92Å; W671-N675 VanDerWaalsContact NE1-ND2 3.11Å; W671-N675 WeakPolarHBondContact O-CB 3.4Å; W671-N675 PolarHBondContact O-N 3.19Å
672I81.8Confident80.3Confident37 Ų3778.2 Ų78.219%0.1940%0.396CS..Hα-helixtrans-65.4-47.4177.7-69.7174.2000110.6Y663 V668 S669 R674 N675 T676 L683Y663-I672 HydrophobicContact CD2-CD1 3.85Å; Y663-I672 HydrophobicContact CE2-CD1 4.17Å; V668-I672 HydrophobicContact CG1-CD1 4.23Å; V668-I672 HydrophobicContact CG1-CG1 4.49Å; V668-I672 PolarHBondContact O-N 3.22Å; S669-I672 PolarHBondContact O-N 3.17Å; I672-R674 VanDerWaalsContact C-N 3.32Å; I672-R674 PolarHBondContact O-N 3.03Å; I672-N675 PolarHBondContact O-N 3.01Å; I672-T676 HydrophobicContact CG2-CG2 4.41Å; I672-T676 WeakPolarHBondContact O-CB 3.45Å; I672-T676 PolarHBondContact O-N 3.42Å; I672-T676 PolarHBondContact O-OG1 2.69Å; I672-L683 HydrophobicContact CG2-CD2 4.22Å
673I82.2Confident80.2Confident69 Ų6975.3 Ų75.335%0.35438%0.381SS..Hα-helixtrans-61-43.2179.1-65.5166.5000110.4S669 L683S669-I673 WeakPolarHBondContact O-CG1 3.43Å; S669-I673 PolarHBondContact O-N 2.87Å; S669-I673 VanDerWaalsContact O-N 3.08Å; I673-L683 HydrophobicContact CG1-CD1 3.89Å
674R84.4Confident79.9Confident207 Ų20778 Ų7878%0.78140%0.396SS*.Hα-helixtrans-70.1-35.4-179.3-171.2178-70.6-176.3-0.7113.4Q670 W671 I672Q670-R674 WeakPolarHBondContact O-CB 3.33Å; Q670-R674 PolarHBondContact O-N 3.07Å; W671-R674 PolarHBondContact O-N 2.84Å; I672-R674 VanDerWaalsContact C-N 3.32Å; I672-R674 PolarHBondContact O-N 3.03Å
675N85.2Confident79.8Confident98 Ų9878 Ų7852%0.52440%0.397SS..Hα-helixtrans-96.5-27.5-173.3-76.61.7000115.2W671 I672W671-N675 PolarHBondContact NE1-ND2 2.92Å; W671-N675 VanDerWaalsContact NE1-ND2 3.11Å; W671-N675 WeakPolarHBondContact O-CB 3.4Å; W671-N675 PolarHBondContact O-N 3.19Å; I672-N675 PolarHBondContact O-N 3.01Å
676T77.8Confident79.9Confident61 Ų6179.7 Ų79.737%0.37441%0.407SS..Hα-helixtrans-98.5-8.3-173.460.10000114.9I672 L678I672-T676 HydrophobicContact CG2-CG2 4.41Å; I672-T676 WeakPolarHBondContact O-CB 3.45Å; I672-T676 PolarHBondContact O-N 3.42Å; I672-T676 PolarHBondContact O-OG1 2.69Å; T676-L678 PolarHBondContact O-N 3.16Å
677S75.1Confident80Confident118 Ų11877.1 Ų77.183%0.82539%0.39SS*.  trans56.210.3-17768.10000116.1
678L75.6Confident80.3Confident70 Ų7076.9 Ų76.937%0.36638%0.379SS..  trans-71.5128.1173.1-73.3162.7000109.4T676 W682 L683T676-L678 PolarHBondContact O-N 3.16Å; L678-W682 HydrophobicContact CD2-CB 4.2Å; L678-L683 HydrophobicContact CB-CD1 4.37Å; L678-L683 HydrophobicContact CB-CG 4.15Å
679S80.1Confident80.3Confident52 Ų5276.7 Ų76.736%0.36438%0.378SS..  trans-63.9154.917470.40000110.3E681 W682 L683S679-E681 PolarHBondContact O-N 2.95Å; S679-W682 PolarHBondContact O-N 3.17Å; S679-W682 VanDerWaalsContact O-N 3.09Å; S679-W682 PolarHBondContact OG-N 2.86Å; S679-L683 PolarHBondContact O-N 2.81Å
680Q78.4Confident80.2Confident126 Ų12678.3 Ų78.359%0.58939%0.386SS*.Hα-helixtrans-60-29177.1-166.2155.9-18.400111.8L683 N684Q680-L683 PolarHBondContact O-N 3.48Å; Q680-N684 WeakPolarHBondContact O-CB 3.24Å; Q680-N684 PolarHBondContact O-N 3.05Å; Q680-N684 PolarHBondContact O-ND2 3.47Å; Q680-N684 PolarHBondContact O-OD1 3.27Å
681E79.5Confident80.1Confident153 Ų15372.8 Ų72.872%0.71536%0.36SS*.Hα-helixtrans-64.6-43173.3-65.4172.7-176.600112.8S679 N684 A685S679-E681 PolarHBondContact O-N 2.95Å; E681-N684 PolarHBondContact O-N 3.46Å; E681-A685 WeakPolarHBondContact O-CB 3.36Å; E681-A685 PolarHBondContact O-N 2.89Å
682W84.2Confident79.4Confident120 Ų12073.5 Ų73.546%0.45536%0.363SS..Hα-helixtrans-67.8-39.8175.2-89.7102.1000112F615 L678 S679 N684 A685 I686 I851F615-W682 HydrophobicContact CE2-CZ3 4.02Å; F615-W682 HydrophobicContact CZ-CZ3 4.28Å; L678-W682 HydrophobicContact CD2-CB 4.2Å; S679-W682 PolarHBondContact O-N 3.17Å; S679-W682 VanDerWaalsContact O-N 3.09Å; S679-W682 PolarHBondContact OG-N 2.86Å; W682-N684 VanDerWaalsContact C-N 3.31Å; W682-N684 PolarHBondContact O-N 2.98Å; W682-A685 PolarHBondContact O-N 3.31Å; W682-I686 VanDerWaalsContact O-CG1 3.26Å; W682-I686 WeakPolarHBondContact O-CG1 3.32Å; W682-I686 PolarHBondContact O-N 3.05Å; W682-I851 HydrophobicContact CH2-CD1 4.5Å
683L83.4Confident78.8Confident2 Ų275.8 Ų75.81%0.0139%0.387CS..Hα-helixtrans-62.7-39.7174.6-75.5160.2000111.2I672 I673 L678 S679 Q680 I686 G687 L688I672-L683 HydrophobicContact CG2-CD2 4.22Å; I673-L683 HydrophobicContact CG1-CD1 3.89Å; L678-L683 HydrophobicContact CB-CD1 4.37Å; L678-L683 HydrophobicContact CB-CG 4.15Å; S679-L683 PolarHBondContact O-N 2.81Å; Q680-L683 PolarHBondContact O-N 3.48Å; L683-I686 PolarHBondContact O-N 3.27Å; L683-G687 PolarHBondContact O-N 3.5Å; L683-L688 HydrophobicContact CD2-CB 4.27Å; L683-L688 HydrophobicContact CD2-CD1 3.93Å; L683-L688 PolarHBondContact O-N 3.05Å
684N78.8Confident78Confident65 Ų6576.8 Ų76.835%0.34839%0.393SS..Hα-helixtrans-65.2-43.7173.9-71.1-8.3000112Q680 E681 W682 I686 G687Q680-N684 WeakPolarHBondContact O-CB 3.24Å; Q680-N684 PolarHBondContact O-N 3.05Å; Q680-N684 PolarHBondContact O-ND2 3.47Å; Q680-N684 PolarHBondContact O-OD1 3.27Å; E681-N684 PolarHBondContact O-N 3.46Å; W682-N684 VanDerWaalsContact C-N 3.31Å; W682-N684 PolarHBondContact O-N 2.98Å; N684-I686 VanDerWaalsContact C-N 3.31Å; N684-I686 PolarHBondContact O-N 2.94Å; N684-G687 VanDerWaalsContact O-CA 3.29Å; N684-G687 WeakPolarHBondContact O-CA 3.17Å; N684-G687 PolarHBondContact O-N 2.65Å
685A80Confident76.7Confident9 Ų970.2 Ų70.27%0.07439%0.389CS..Hα-helixtrans-64.2-34.2176.800000112.8F615 E681 W682 G687 I851F615-A685 HydrophobicContact CD2-CB 4.36Å; F615-A685 WeakPolarHBondContact CD2-O 3.32Å; F615-A685 HydrophobicContact CE2-CB 4.26Å; F615-A685 PolarHBondContact N-O 3Å; F615-A685 VanDerWaalsContact N-O 3.07Å; E681-A685 WeakPolarHBondContact O-CB 3.36Å; E681-A685 PolarHBondContact O-N 2.89Å; W682-A685 PolarHBondContact O-N 3.31Å; A685-G687 VanDerWaalsContact C-N 3.3Å; A685-I851 HydrophobicContact CB-CG2 4.08Å
686I83.1Confident75.5Confident59 Ų5971.7 Ų71.730%0.30339%0.393SS..Hα-helixtrans-67.2-36.2170.3-67.3165.8000110.2Y616 W682 L683 N684 L688Y616-I686 WeakPolarHBondContact CD1-O 3.47Å; W682-I686 VanDerWaalsContact O-CG1 3.26Å; W682-I686 WeakPolarHBondContact O-CG1 3.32Å; W682-I686 PolarHBondContact O-N 3.05Å; L683-I686 PolarHBondContact O-N 3.27Å; N684-I686 VanDerWaalsContact C-N 3.31Å; N684-I686 PolarHBondContact O-N 2.94Å; I686-L688 HydrophobicContact CG2-CD1 4.16Å; I686-L688 HydrophobicContact CG2-CG 4.29Å
687G78.3Confident74.5Confident2 Ų275 Ų752%0.02142%0.419CS..THydrogen-bonded Turntrans104.520.7179.100000114.7L683 N684 A685 V689L683-G687 PolarHBondContact O-N 3.5Å; N684-G687 VanDerWaalsContact O-CA 3.29Å; N684-G687 WeakPolarHBondContact O-CA 3.17Å; N684-G687 PolarHBondContact O-N 2.65Å; A685-G687 VanDerWaalsContact C-N 3.3Å; G687-V689 PolarHBondContact O-N 3.1Å
688L82.3Confident74Confident36 Ų3671.3 Ų71.319%0.18840%0.399CS..  trans-91.690.6174.1-71.3166000109.8Y663 L683 I686Y663-L688 HydrophobicContact CD1-CB 4.44Å; Y663-L688 HydrophobicContact CD2-CB 4.39Å; Y663-L688 HydrophobicContact CD2-CD2 4.47Å; Y663-L688 HydrophobicContact CE1-CB 4.34Å; Y663-L688 VanDerWaalsContact CE1-O 3.28Å; Y663-L688 WeakPolarHBondContact CE1-O 3.4Å; Y663-L688 HydrophobicContact CE2-CB 4.31Å; Y663-L688 HydrophobicContact CG-CB 4.47Å; Y663-L688 HydrophobicContact CG-CD2 4.39Å; L683-L688 HydrophobicContact CD2-CB 4.27Å; L683-L688 HydrophobicContact CD2-CD1 3.93Å; L683-L688 PolarHBondContact O-N 3.05Å; I686-L688 HydrophobicContact CG2-CD1 4.16Å; I686-L688 HydrophobicContact CG2-CG 4.29Å
689V78Confident73.7Confident38 Ų3868.8 Ų68.823%0.2339%0.388CS..  trans-116.2142.3-174.7-171.90000111.1Q664 G687 F691 I694Q664-V689 PolarHBondContact NE2-O 3.25Å; G687-V689 PolarHBondContact O-N 3.1Å; V689-F691 HydrophobicContact CB-CE1 4.17Å; V689-F691 HydrophobicContact CB-CZ 4.18Å; V689-F691 PolarHBondContact O-N 3.09Å; V689-I694 HydrophobicContact CG1-CD1 3.63Å
690D76.1Confident73.3Confident44 Ų4467.6 Ų67.624%0.23538%0.378CS..  trans-82.8102.8174.3-171.1-15.9000109.4Y663 R692 A693Y663-D690 HydrophobicContact CE1-CB 4.44Å; D690-R692 PolarHBondContact O-N 3Å; D690-R692 WeakPolarHBondContact OD1-CB 3.28Å; D690-R692 PolarHBondContact OD1-N 3.25Å; D690-R692 VanDerWaalsContact OD1-N 3.11Å; D690-A693 HydrophobicContact CB-CB 4.41Å; D690-A693 PolarHBondContact O-N 3.17Å
691F76.4Confident73.1Confident8 Ų866.3 Ų66.34%0.03537%0.371CS..THydrogen-bonded Turntrans-73-19.1-176.1-61.6-65.5000112.4Q664 V689 A693 I694 A699 L700 Q703Q664-F691 VanDerWaalsContact OE1-N 3.11Å; V689-F691 HydrophobicContact CB-CE1 4.17Å; V689-F691 HydrophobicContact CB-CZ 4.18Å; V689-F691 PolarHBondContact O-N 3.09Å; F691-A693 VanDerWaalsContact C-N 3.25Å; F691-A693 PolarHBondContact O-N 2.55Å; F691-I694 HydrophobicContact CD1-CD1 3.85Å; F691-I694 HydrophobicContact CE1-CD1 4.29Å; F691-I694 PolarHBondContact O-N 3.21Å; F691-A699 HydrophobicContact CD1-CB 4.29Å; F691-L700 HydrophobicContact CB-CB 4.16Å; F691-L700 HydrophobicContact CD2-CB 4.17Å; F691-L700 HydrophobicContact CD2-CD1 4.29Å; F691-L700 HydrophobicContact CD2-CG 4.49Å; F691-L700 HydrophobicContact CG-CB 4.36Å; F691-Q703 HydrophobicContact CE1-CG 4.32Å; F691-Q703 VanDerWaalsContact CE1-OE1 3.29Å; F691-Q703 HydrophobicContact CZ-CB 4.5Å; F691-Q703 HydrophobicContact CZ-CG 4.34Å
692R67.8Low72.7Confident169 Ų16964.6 Ų64.664%0.63837%0.366SS*.THydrogen-bonded Turntrans-67.8-30.8175.9-156.4176.8-173.2176.63.6110.8E507 D690E507-R692 IonicContact OE1-CZ 3.97Å; E507-R692 IonicContact OE1-NH2 2.7Å; E507-R692 PolarHBondContact OE1-NH2 3.5Å; D690-R692 PolarHBondContact O-N 3Å; D690-R692 WeakPolarHBondContact OD1-CB 3.28Å; D690-R692 PolarHBondContact OD1-N 3.25Å; D690-R692 VanDerWaalsContact OD1-N 3.11Å
693A68.1Low72.2Confident85 Ų8561.9 Ų61.970%0.70236%0.358SS*.THydrogen-bonded Turntrans-74.8-23.9176.700000113.8D690 F691 G695D690-A693 HydrophobicContact CB-CB 4.41Å; D690-A693 PolarHBondContact O-N 3.17Å; F691-A693 VanDerWaalsContact C-N 3.25Å; F691-A693 PolarHBondContact O-N 2.55Å; A693-G695 PolarHBondContact O-N 3.13Å
694I65.4Low72Confident91 Ų9162 Ų6247%0.46736%0.359SS..THydrogen-bonded Turntrans-76.1-10.8179.2-64166.3000111.7V689 F691 E696V689-I694 HydrophobicContact CG1-CD1 3.63Å; F691-I694 HydrophobicContact CD1-CD1 3.85Å; F691-I694 HydrophobicContact CE1-CD1 4.29Å; F691-I694 PolarHBondContact O-N 3.21Å; I694-E696 PolarHBondContact O-N 3.39Å
695G58.3Low72Confident69 Ų6963.2 Ų63.271%0.71136%0.364SS*.THydrogen-bonded Turntrans79-3.9175.400000115A693A693-G695 PolarHBondContact O-N 3.13Å
696E59.7Low71.9Confident128 Ų12863.6 Ų63.660%0.59837%0.368SS*.  trans-102.293.8178-68.6-173168.900110.9I694 G698 A699I694-E696 PolarHBondContact O-N 3.39Å; E696-G698 PolarHBondContact O-N 3.34Å; E696-A699 HydrophobicContact CB-CB 4.02Å; E696-A699 PolarHBondContact O-N 2.91Å
697S56.5Low71.9Confident131 Ų13161.1 Ų61.192%0.91636%0.355SS*.THydrogen-bonded Turntrans-56.6-15.2-179.454.50000114.6
698G65.1Low72Confident41 Ų4162 Ų6242%0.42336%0.36SS..THydrogen-bonded Turntrans-94.1-15.817600000116.3E696 L700 F701 L702E696-G698 PolarHBondContact O-N 3.34Å; G698-L700 VanDerWaalsContact C-N 3.29Å; G698-L700 PolarHBondContact O-N 2.87Å; G698-F701 PolarHBondContact O-N 3.25Å; G698-F701 VanDerWaalsContact O-N 3.14Å; G698-L702 PolarHBondContact O-N 2.91Å
699A68.9Low72.1Confident16 Ų1662.4 Ų62.413%0.13237%0.368CS..Hα-helixtrans-63.2-36.5-173.400000112.3F691 E696 F701 L702 Q703F691-A699 HydrophobicContact CD1-CB 4.29Å; E696-A699 HydrophobicContact CB-CB 4.02Å; E696-A699 PolarHBondContact O-N 2.91Å; A699-F701 PolarHBondContact O-N 2.95Å; A699-L702 PolarHBondContact O-N 3.19Å; A699-Q703 PolarHBondContact O-N 2.9Å
700L71.7Confident72.5Confident28 Ų2860.6 Ų60.615%0.14736%0.357CS..Hα-helixtrans-57.8-45.9174.9177.6136.1000112.3Q664 F691 G698 L702 L704Q664-L700 HydrophobicContact CB-CD1 4.22Å; Q664-L700 HydrophobicContact CG-CD1 3.39Å; F691-L700 HydrophobicContact CB-CB 4.16Å; F691-L700 HydrophobicContact CD2-CB 4.17Å; F691-L700 HydrophobicContact CD2-CD1 4.29Å; F691-L700 HydrophobicContact CD2-CG 4.49Å; F691-L700 HydrophobicContact CG-CB 4.36Å; G698-L700 VanDerWaalsContact C-N 3.29Å; G698-L700 PolarHBondContact O-N 2.87Å; L700-L702 VanDerWaalsContact C-N 3.32Å; L700-L702 PolarHBondContact O-N 3.35Å; L700-L704 HydrophobicContact CD1-CD1 4.41Å; L700-L704 HydrophobicContact CD2-CD1 3.89Å; L700-L704 HydrophobicContact CG-CD1 3.77Å; L700-L704 WeakPolarHBondContact O-CB 3.31Å; L700-L704 WeakPolarHBondContact O-CD1 3.48Å; L700-L704 PolarHBondContact O-N 2.95Å; L700-L704 VanDerWaalsContact O-N 3.11Å
701F72.7Confident73Confident99 Ų9959.3 Ų59.343%0.43435%0.349SS..Hα-helixtrans-62.9-41.6179.7179-98.1000111.1L439 G698 A699 L705L439-F701 HydrophobicContact CB-CD2 4.49Å; L439-F701 HydrophobicContact CD1-CD2 4.42Å; L439-F701 HydrophobicContact CD1-CE2 4.27Å; G698-F701 PolarHBondContact O-N 3.25Å; G698-F701 VanDerWaalsContact O-N 3.14Å; A699-F701 PolarHBondContact O-N 2.95Å; F701-L705 WeakPolarHBondContact O-CB 3.44Å; F701-L705 PolarHBondContact O-N 3.37Å; F701-L705 VanDerWaalsContact O-N 3.09Å
702L71.8Confident73.2Confident117 Ų11761.1 Ų61.161%0.61336%0.361SS*.Hα-helixtrans-68.1-43.8-178.2-126.9118000112.3G698 A699 L700 L705G698-L702 PolarHBondContact O-N 2.91Å; A699-L702 PolarHBondContact O-N 3.19Å; L700-L702 VanDerWaalsContact C-N 3.32Å; L700-L702 PolarHBondContact O-N 3.35Å; L702-L705 PolarHBondContact O-N 3.03Å
703Q74.5Confident74.1Confident63 Ų6354.4 Ų54.429%0.29434%0.339SS..Hα-helixtrans-69.8-33.8179.1-70.2-156.413.500113.1F691 A699 P707F691-Q703 HydrophobicContact CE1-CG 4.32Å; F691-Q703 VanDerWaalsContact CE1-OE1 3.29Å; F691-Q703 HydrophobicContact CZ-CB 4.5Å; F691-Q703 HydrophobicContact CZ-CG 4.34Å; A699-Q703 PolarHBondContact O-N 2.9Å; Q703-P707 WeakPolarHBondContact O-CD 3.29Å
704L78.8Confident74.9Confident4 Ų450.3 Ų50.32%0.02131%0.305CS..Hα-helixtrans-74.4-26.3174.6-91133.9000113I657 L700 A706 P707 I708I657-L704 HydrophobicContact CB-CD2 4.45Å; I657-L704 HydrophobicContact CG2-CD2 3.85Å; L700-L704 HydrophobicContact CD1-CD1 4.41Å; L700-L704 HydrophobicContact CD2-CD1 3.89Å; L700-L704 HydrophobicContact CG-CD1 3.77Å; L700-L704 WeakPolarHBondContact O-CB 3.31Å; L700-L704 WeakPolarHBondContact O-CD1 3.48Å; L700-L704 PolarHBondContact O-N 2.95Å; L700-L704 VanDerWaalsContact O-N 3.11Å; L704-A706 PolarHBondContact O-N 3.48Å; L704-P707 WeakPolarHBondContact O-CD 3.21Å; L704-I708 HydrophobicContact CB-CD1 4.18Å; L704-I708 HydrophobicContact CD2-CD1 4.47Å; L704-I708 WeakPolarHBondContact O-CB 3.43Å; L704-I708 VanDerWaalsContact O-CD1 3.31Å; L704-I708 WeakPolarHBondContact O-CD1 3.48Å; L704-I708 WeakPolarHBondContact O-CG1 3.12Å; L704-I708 PolarHBondContact O-N 3.36Å; L704-I708 VanDerWaalsContact O-N 3.09Å
705L79.1Confident75.7Confident90 Ų9047.6 Ų47.647%0.47129%0.291SS..Hα-helixtrans-62.3-40.9-177.2-174.467.8000113F701 L702 I708 A709F701-L705 WeakPolarHBondContact O-CB 3.44Å; F701-L705 PolarHBondContact O-N 3.37Å; F701-L705 VanDerWaalsContact O-N 3.09Å; L702-L705 PolarHBondContact O-N 3.03Å; L705-I708 PolarHBondContact O-N 3.04Å; L705-A709 WeakPolarHBondContact O-CB 3.23Å; L705-A709 PolarHBondContact O-N 2.8Å
706A78Confident76.7Confident17 Ų1747.2 Ų47.214%0.1427%0.272CS..Hα-helixtrans-67.3-48.3-177.500000113.4V607 F611 L704 I708 A709 L710V607-A706 HydrophobicContact CG2-CB 4.42Å; F611-A706 HydrophobicContact CE2-CB 3.4Å; F611-A706 VanDerWaalsContact CE2-CB 3.4Å; F611-A706 HydrophobicContact CZ-CB 3.41Å; F611-A706 VanDerWaalsContact CZ-CB 3.41Å; L704-A706 PolarHBondContact O-N 3.48Å; A706-I708 VanDerWaalsContact C-N 3.34Å; A706-I708 PolarHBondContact O-N 3.14Å; A706-A709 PolarHBondContact O-N 3.33Å; A706-L710 PolarHBondContact O-N 3.15Å
707P81.8Confident78Confident7 Ų741.1 Ų41.15%0.04524%0.244CC..Hα-helixtrans-59.2-39.7169.3-25.834.9000113.3I657 Q703 L704 A709 L710 F711I657-P707 HydrophobicContact CD1-CB 4.29Å; I657-P707 HydrophobicContact CG1-CB 3.78Å; Q703-P707 WeakPolarHBondContact O-CD 3.29Å; L704-P707 WeakPolarHBondContact O-CD 3.21Å; P707-A709 VanDerWaalsContact C-N 3.34Å; P707-A709 PolarHBondContact O-N 3.15Å; P707-L710 PolarHBondContact O-N 2.78Å; P707-F711 WeakPolarHBondContact O-CB 3.35Å; P707-F711 PolarHBondContact O-N 3.16Å
708I81.9Confident79.2Confident22 Ų2236.3 Ų36.311%0.11321%0.208CC..Hα-helixtrans-63.5-40.5176.5-69.3166.7000110.9M435 L439 I657 L704 L705 A706 F711 V712M435-I708 HydrophobicContact CE-CG2 4.31Å; L439-I708 HydrophobicContact CD1-CD1 4.42Å; I657-I708 HydrophobicContact CD1-CG1 3.85Å; I657-I708 HydrophobicContact CG1-CG1 4.23Å; L704-I708 HydrophobicContact CB-CD1 4.18Å; L704-I708 HydrophobicContact CD2-CD1 4.47Å; L704-I708 WeakPolarHBondContact O-CB 3.43Å; L704-I708 VanDerWaalsContact O-CD1 3.31Å; L704-I708 WeakPolarHBondContact O-CD1 3.48Å; L704-I708 WeakPolarHBondContact O-CG1 3.12Å; L704-I708 PolarHBondContact O-N 3.36Å; L704-I708 VanDerWaalsContact O-N 3.09Å; L705-I708 PolarHBondContact O-N 3.04Å; A706-I708 VanDerWaalsContact C-N 3.34Å; A706-I708 PolarHBondContact O-N 3.14Å; I708-F711 WeakPolarHBondContact O-CB 3.35Å; I708-F711 PolarHBondContact O-N 2.92Å; I708-V712 WeakPolarHBondContact O-CG2 3.26Å; I708-V712 PolarHBondContact O-N 3.24Å
709A83.2Confident79.8Confident44 Ų4438.6 Ų38.636%0.36421%0.206SC..Hα-helixtrans-65.7-44.7176.400000111.8L705 A706 P707 F711 V712 V713L705-A709 WeakPolarHBondContact O-CB 3.23Å; L705-A709 PolarHBondContact O-N 2.8Å; A706-A709 PolarHBondContact O-N 3.33Å; P707-A709 VanDerWaalsContact C-N 3.34Å; P707-A709 PolarHBondContact O-N 3.15Å; A709-F711 VanDerWaalsContact C-N 3.3Å; A709-F711 PolarHBondContact O-N 3.5Å; A709-V712 PolarHBondContact O-N 3.19Å; A709-V713 WeakPolarHBondContact O-CB 3.46Å; A709-V713 WeakPolarHBondContact O-CG2 3.38Å; A709-V713 PolarHBondContact O-N 3.28Å
710L86.7Confident80.1Confident0 Ų044.3 Ų44.30%023%0.228CC..Hα-helixtrans-61.7-39174.7-175.562.6000111.2V603 L604 V607 F620 L649 T653 A706 P707 T714V603-L710 HydrophobicContact CG1-CD1 4.02Å; L604-L710 HydrophobicContact CD1-CD2 4.4Å; V607-L710 HydrophobicContact CG1-CD2 4.42Å; F620-L710 HydrophobicContact CD1-CD2 4.41Å; F620-L710 HydrophobicContact CE1-CD2 3.85Å; F620-L710 HydrophobicContact CZ-CD2 4.17Å; L649-L710 HydrophobicContact CD1-CD2 4.36Å; L649-L710 HydrophobicContact CD2-CD1 4.4Å; T653-L710 HydrophobicContact CG2-CB 4.34Å; T653-L710 HydrophobicContact CG2-CD2 3.57Å; T653-L710 HydrophobicContact CG2-CG 3.88Å; A706-L710 PolarHBondContact O-N 3.15Å; P707-L710 PolarHBondContact O-N 2.78Å; L710-T714 HydrophobicContact CD1-CG2 3.88Å; L710-T714 HydrophobicContact CG-CG2 4.26Å; L710-T714 WeakPolarHBondContact O-CB 3.5Å; L710-T714 WeakPolarHBondContact O-CG2 3.39Å; L710-T714 PolarHBondContact O-N 3.41Å; L710-T714 PolarHBondContact O-OG1 3.21Å
711F86.3Confident80.6Confident17 Ų1744.7 Ų44.78%0.07523%0.228CC..Hα-helixtrans-60.6-48.2173.9175.7-97.3000111.8T650 S654 I657 P707 I708 A709 T714 M715T650-F711 HydrophobicContact CG2-CD2 3.61Å; T650-F711 HydrophobicContact CG2-CE2 3.65Å; S654-F711 WeakPolarHBondContact OG-CD2 3.33Å; S654-F711 WeakPolarHBondContact OG-CE2 3.47Å; I657-F711 HydrophobicContact CD1-CB 4.21Å; P707-F711 WeakPolarHBondContact O-CB 3.35Å; P707-F711 PolarHBondContact O-N 3.16Å; I708-F711 WeakPolarHBondContact O-CB 3.35Å; I708-F711 PolarHBondContact O-N 2.92Å; A709-F711 VanDerWaalsContact C-N 3.3Å; A709-F711 PolarHBondContact O-N 3.5Å; F711-T714 PolarHBondContact O-OG1 3.11Å; F711-M715 HydrophobicContact CE1-CG 4.41Å; F711-M715 HydrophobicContact CE2-CE 4.47Å; F711-M715 HydrophobicContact CE2-CG 4.3Å; F711-M715 HydrophobicContact CZ-CG 4.17Å; F711-M715 VanDerWaalsContact O-CB 3.27Å; F711-M715 WeakPolarHBondContact O-CB 3.21Å; F711-M715 WeakPolarHBondContact O-CG 3.26Å; F711-M715 PolarHBondContact O-N 3.33Å
712V81.5Confident81.2Confident45 Ų4541.4 Ų41.427%0.27321%0.214SC..Hα-helixtrans-65.1-44.9178.9173.70000111.7I708 A709 M715 L716I708-V712 WeakPolarHBondContact O-CG2 3.26Å; I708-V712 PolarHBondContact O-N 3.24Å; A709-V712 PolarHBondContact O-N 3.19Å; V712-M715 PolarHBondContact O-N 3.29Å; V712-L716 HydrophobicContact CG1-CD1 4.16Å; V712-L716 WeakPolarHBondContact O-CG 3.33Å; V712-L716 PolarHBondContact O-N 3.12Å
713V86.1Confident81.5Confident28 Ų2837.6 Ų37.617%0.1720%0.203CC..Hα-helixtrans-67-43.9-178.2170.60000111.6F596 V600 A709 M715 L716 Q717F596-V713 HydrophobicContact CE1-CG1 3.96Å; F596-V713 HydrophobicContact CZ-CG1 4.14Å; V600-V713 HydrophobicContact CG2-CG1 4.02Å; A709-V713 WeakPolarHBondContact O-CB 3.46Å; A709-V713 WeakPolarHBondContact O-CG2 3.38Å; A709-V713 PolarHBondContact O-N 3.28Å; V713-M715 VanDerWaalsContact C-N 3.34Å; V713-L716 PolarHBondContact O-N 3.24Å; V713-Q717 PolarHBondContact O-N 3Å
714T86Confident81.7Confident0 Ų036 Ų360%020%0.199CC..Hα-helixtrans-66.4-37176.357.50000111.4V600 L649 T650 L710 F711 Q717 L718V600-T714 HydrophobicContact CG1-CG2 4.08Å; L649-T714 HydrophobicContact CD2-CG2 3.71Å; L649-T714 HydrophobicContact CG-CG2 4.2Å; T650-T714 WeakPolarHBondContact OG1-CB 3.45Å; T650-T714 PolarHBondContact OG1-OG1 2.94Å; L710-T714 HydrophobicContact CD1-CG2 3.88Å; L710-T714 HydrophobicContact CG-CG2 4.26Å; L710-T714 WeakPolarHBondContact O-CB 3.5Å; L710-T714 WeakPolarHBondContact O-CG2 3.39Å; L710-T714 PolarHBondContact O-N 3.41Å; L710-T714 PolarHBondContact O-OG1 3.21Å; F711-T714 PolarHBondContact O-OG1 3.11Å; T714-Q717 PolarHBondContact O-N 3.31Å; T714-L718 PolarHBondContact O-N 3.41Å
715M80.8Confident82Confident34 Ų3436.6 Ų36.617%0.16720%0.2CC..Hα-helixtrans-64.1-38172.2-87.1-71.815900113.2T650 F711 V712 V713 L718 K719T650-M715 HydrophobicContact CG2-CE 3.38Å; T650-M715 HydrophobicContact CG2-CG 3.95Å; T650-M715 HydrophobicContact CG2-SD 4.45Å; F711-M715 HydrophobicContact CE1-CG 4.41Å; F711-M715 HydrophobicContact CE2-CE 4.47Å; F711-M715 HydrophobicContact CE2-CG 4.3Å; F711-M715 HydrophobicContact CZ-CG 4.17Å; F711-M715 VanDerWaalsContact O-CB 3.27Å; F711-M715 WeakPolarHBondContact O-CB 3.21Å; F711-M715 WeakPolarHBondContact O-CG 3.26Å; F711-M715 PolarHBondContact O-N 3.33Å; V712-M715 PolarHBondContact O-N 3.29Å; V713-M715 VanDerWaalsContact C-N 3.34Å; M715-L718 PolarHBondContact O-N 2.78Å; M715-K719 WeakPolarHBondContact O-CB 3.22Å; M715-K719 PolarHBondContact O-N 2.88Å
716L80.4Confident82Confident60 Ų6034.4 Ų34.431%0.31419%0.193SC..Hα-helixtrans-65.8-42.7173.4-72.1171.2000111.7F596 V712 V713 L718 K719 F720 F721F596-L716 HydrophobicContact CE1-CB 4.44Å; F596-L716 HydrophobicContact CZ-CB 4.29Å; V712-L716 HydrophobicContact CG1-CD1 4.16Å; V712-L716 WeakPolarHBondContact O-CG 3.33Å; V712-L716 PolarHBondContact O-N 3.12Å; V713-L716 PolarHBondContact O-N 3.24Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L716-L718 PolarHBondContact O-N 3.22Å; L716-K719 PolarHBondContact O-N 2.97Å; L716-F720 HydrophobicContact CD2-CD2 3.59Å; L716-F720 HydrophobicContact CD2-CE2 3.62Å; L716-F720 PolarHBondContact O-N 2.74Å; L716-F721 HydrophobicContact CB-CE2 4.39Å
717Q85.4Confident81.9Confident1 Ų142.4 Ų42.41%0.00522%0.219CC..Iπ-helixtrans-59.1-43.5174.7174.765.5-0.600111.3F596 V600 W646 V713 T714 F721 H722F596-Q717 HydrophobicContact CD1-CB 3.99Å; F596-Q717 VanDerWaalsContact CD1-OE1 3.23Å; F596-Q717 HydrophobicContact CE1-CB 4.04Å; V600-Q717 HydrophobicContact CG2-CB 3.9Å; V600-Q717 HydrophobicContact CG2-CG 4.04Å; W646-Q717 HydrophobicContact CG-CG 4.47Å; V713-Q717 PolarHBondContact O-N 3Å; T714-Q717 PolarHBondContact O-N 3.31Å; Q717-F721 PolarHBondContact O-N 3.27Å; Q717-H722 WeakPolarHBondContact O-CB 3.27Å; Q717-H722 PolarHBondContact O-N 2.96Å
718L82.7Confident81.4Confident30 Ų3045 Ų4516%0.15724%0.242CC..Iπ-helixtrans-68.5-46.7177.6-80.5159.6000112.9Y643 W646 T650 T714 M715 L716Y643-L718 HydrophobicContact CD2-CD2 4.09Å; Y643-L718 HydrophobicContact CE2-CD2 3.76Å; W646-L718 HydrophobicContact CB-CD2 4.28Å; W646-L718 HydrophobicContact CB-CG 4.26Å; T650-L718 WeakPolarHBondContact OG1-CD1 3.42Å; T714-L718 PolarHBondContact O-N 3.41Å; M715-L718 PolarHBondContact O-N 2.78Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L716-L718 PolarHBondContact O-N 3.22Å
719K76.8Confident81Confident88 Ų8845.7 Ų45.738%0.38325%0.247SC..Iπ-helixtrans-78.2-37.6-174.1-73.2-169.5-177-175.50114W457 F459 M715 L716W457-K719 PolarHBondContact O-NZ 2.86Å; F459-K719 PolarHBondContact O-NZ 3.4Å; F459-K719 VanDerWaalsContact O-NZ 3.13Å; M715-K719 WeakPolarHBondContact O-CB 3.22Å; M715-K719 PolarHBondContact O-N 2.88Å; L716-K719 PolarHBondContact O-N 2.97Å
720F76.7Confident80.3Confident137 Ų13745.6 Ų45.660%0.60124%0.244SC*.Iπ-helixtrans-115.4-32.6-170.1-60.6-61.5000114.9L716L716-F720 HydrophobicContact CD2-CD2 3.59Å; L716-F720 HydrophobicContact CD2-CE2 3.62Å; L716-F720 PolarHBondContact O-N 2.74Å
721F82.3Confident79.1Confident35 Ų3549.9 Ų49.915%0.15427%0.272CS..Iπ-helixtrans-115.1-21.1-162.5-55.6-49.2000117V592 F596 L716 Q717 G723 P724 W725V592-F721 HydrophobicContact CG1-CE1 4.29Å; V592-F721 HydrophobicContact CG1-CZ 4.19Å; F596-F721 HydrophobicContact CB-CB 4.2Å; F596-F721 HydrophobicContact CB-CD2 3.97Å; F596-F721 HydrophobicContact CB-CG 4.16Å; F596-F721 AromaticContact CD1-CD2 3.5Å; F596-F721 HydrophobicContact CD1-CD2 3.5Å; F596-F721 HydrophobicContact CD1-CE2 4.1Å; F596-F721 HydrophobicContact CD1-CG 4.39Å; F596-F721 AromaticContact CD2-CD2 3.68Å; F596-F721 HydrophobicContact CD2-CD2 3.68Å; F596-F721 AromaticContact CD2-CE2 3.55Å; F596-F721 HydrophobicContact CD2-CE2 3.55Å; F596-F721 HydrophobicContact CD2-CZ 4.33Å; F596-F721 AromaticContact CE1-CD2 3.78Å; F596-F721 HydrophobicContact CE1-CD2 3.78Å; F596-F721 HydrophobicContact CE1-CE2 4.05Å; F596-F721 AromaticContact CE2-CD2 3.97Å; F596-F721 HydrophobicContact CE2-CD2 3.97Å; F596-F721 AromaticContact CE2-CE2 3.53Å; F596-F721 HydrophobicContact CE2-CE2 3.53Å; F596-F721 HydrophobicContact CE2-CZ 4.43Å; F596-F721 HydrophobicContact CG-CB 4.49Å; F596-F721 AromaticContact CG-CD2 3.43Å; F596-F721 HydrophobicContact CG-CD2 3.43Å; F596-F721 VanDerWaalsContact CG-CD2 3.43Å; F596-F721 AromaticContact CG-CE2 3.84Å; F596-F721 HydrophobicContact CG-CE2 3.84Å; F596-F721 HydrophobicContact CG-CG 4.13Å; F596-F721 HydrophobicContact CZ-CD2 4Å; F596-F721 AromaticContact CZ-CE2 3.78Å; F596-F721 HydrophobicContact CZ-CE2 3.78Å; L716-F721 HydrophobicContact CB-CE2 4.39Å; Q717-F721 PolarHBondContact O-N 3.27Å; F721-G723 PolarHBondContact O-N 2.94Å; F721-P724 VanDerWaalsContact O-CD 3.31Å; F721-P724 WeakPolarHBondContact O-CD 3.35Å; F721-W725 PolarHBondContact O-N 3.26Å
722H83.5Confident77.6Confident30 Ų3060.5 Ų60.514%0.13931%0.311CS..Hα-helixtrans-61.4-41.1-179.1-177.377.2000113.4Y643 Q717 W725 S726Y643-H722 AromaticContact CD2-CD2 3.62Å; Y643-H722 AromaticContact CD2-NE2 3.65Å; Q717-H722 WeakPolarHBondContact O-CB 3.27Å; Q717-H722 PolarHBondContact O-N 2.96Å; H722-W725 PolarHBondContact O-N 2.99Å; H722-S726 PolarHBondContact O-N 3.3Å
723G78.3Confident76Confident37 Ų3769.6 Ų69.638%0.38134%0.341SS..Hα-helixtrans-62.9-44.7-178.800000114.6F721 R727F721-G723 PolarHBondContact O-N 2.94Å; G723-R727 PolarHBondContact O-NE 3.43Å
724P79.9Confident73.8Confident31 Ų3173.3 Ų73.320%0.20137%0.374CS..Hα-helixtrans-61.4-43.8171.9-29.535.7000115.2S593 F721 R727 A728S593-P724 WeakPolarHBondContact OG-CB 3.43Å; F721-P724 VanDerWaalsContact O-CD 3.31Å; F721-P724 WeakPolarHBondContact O-CD 3.35Å; P724-R727 PolarHBondContact O-N 2.71Å; P724-A728 PolarHBondContact O-N 3.42Å
725W83.7Confident71.6Confident15 Ų1581.1 Ų81.16%0.05741%0.41CS..Hα-helixtrans-65-40.5-178.1172.285.9000113.3I597 Y638 R639 A642 F721 H722 R727 A728 T729I597-W725 HydrophobicContact CD1-CD2 4.26Å; I597-W725 HydrophobicContact CD1-CH2 4.1Å; I597-W725 HydrophobicContact CD1-CZ2 3.59Å; Y638-W725 HydrophobicContact CE1-CH2 4.27Å; Y638-W725 HydrophobicContact CE1-CZ2 4.1Å; R639-W725 HydrophobicContact CG-CH2 4.38Å; R639-W725 HydrophobicContact CG-CZ3 4.48Å; A642-W725 HydrophobicContact CB-CH2 4.14Å; A642-W725 HydrophobicContact CB-CZ3 3.98Å; F721-W725 PolarHBondContact O-N 3.26Å; H722-W725 PolarHBondContact O-N 2.99Å; W725-R727 VanDerWaalsContact C-N 3.28Å; W725-R727 PolarHBondContact O-N 3.15Å; W725-A728 PolarHBondContact O-N 3.14Å; W725-T729 HydrophobicContact CZ2-CG2 4.44Å; W725-T729 PolarHBondContact O-N 2.97Å; W725-T729 PolarHBondContact O-OG1 2.95Å
726S80.1Confident69.5Low45 Ų4585.7 Ų85.732%0.31544%0.435SS..Hα-helixtrans-65.6-33.1-179.189.90000112.3H722 T729H722-S726 PolarHBondContact O-N 3.3Å; S726-T729 PolarHBondContact O-OG1 3.24Å
727R76.1Confident67.1Low184 Ų18490.5 Ų90.569%0.69446%0.461SS*.Hα-helixtrans-69.1-39.4174.8-74.6-174-79.1163.9-5.3112G723 P724 W725 T729 S730G723-R727 PolarHBondContact O-NE 3.43Å; P724-R727 PolarHBondContact O-N 2.71Å; W725-R727 VanDerWaalsContact C-N 3.28Å; W725-R727 PolarHBondContact O-N 3.15Å; R727-T729 VanDerWaalsContact C-N 3.35Å; R727-T729 PolarHBondContact O-N 3.4Å; R727-S730 PolarHBondContact O-OG 3.42Å; R727-S730 VanDerWaalsContact O-OG 3.07Å
728A71.6Confident64.7Low62 Ų6294.8 Ų94.851%0.51249%0.49SS..Hα-helixtrans-68.9-26.9-17800000114.4V594 P724 W725V594-A728 HydrophobicContact CG1-CB 4.48Å; V594-A728 HydrophobicContact CG2-CB 4.1Å; P724-A728 PolarHBondContact O-N 3.42Å; W725-A728 PolarHBondContact O-N 3.14Å
729T73.5Confident62.5Low37 Ų3799.7 Ų99.723%0.22752%0.523CS..THydrogen-bonded Turntrans-99.1-3.5-177.554.40000114.1F635 W725 S726 R727F635-T729 HydrophobicContact CZ-CG2 4.39Å; W725-T729 HydrophobicContact CZ2-CG2 4.44Å; W725-T729 PolarHBondContact O-N 2.97Å; W725-T729 PolarHBondContact O-OG1 2.95Å; S726-T729 PolarHBondContact O-OG1 3.24Å; R727-T729 VanDerWaalsContact C-N 3.35Å; R727-T729 PolarHBondContact O-N 3.4Å
730S68.8Low60.5Low42 Ų42100.7 Ų100.729%0.29454%0.537SS..SBendtrans-72.6133.2176.772.20000111.2R639 R727 R732R639-S730 VanDerWaalsContact NH1-CA 3.35Å; R727-S730 PolarHBondContact O-OG 3.42Å; R727-S730 VanDerWaalsContact O-OG 3.07Å; S730-R732 PolarHBondContact O-N 3.49Å
731P59.9Low58.5Low90 Ų9099 Ų9958%0.58454%0.542SS*.  trans-64.4105.2167.225.4-29.5000106.9R733P731-R733 PolarHBondContact O-N 3Å
732R54.9Low56.3Low239 Ų239102.4 Ų102.490%0.90257%0.566SS**  trans-58.6103.6172.1-96.1-178.8165.4166.5-6.1107.3S730 A734S730-R732 PolarHBondContact O-N 3.49Å; R732-A734 PolarHBondContact O-N 3.16Å
733R48.2Very low54Low237 Ų237107 Ų10789%0.89460%0.596SS**  trans-61.9128.3155.2-86.9-176.1-173.5143.50.5106.1P731 E735P731-R733 PolarHBondContact O-N 3Å; R733-E735 PolarHBondContact O-N 2.9Å
734A39.3Very low51.7Low105 Ų105114.9 Ų114.987%0.86862%0.623SS**  trans-58.3103.5176.800000109.8R732R732-A734 PolarHBondContact O-N 3.16Å
735E41.5Very low49.4Very low165 Ų165118 Ų11877%0.77165%0.651SS**  trans-157.5109.9165-148.7157.3-172.700111.6R733R733-E735 PolarHBondContact O-N 2.9Å
736N34.8Very low47Very low129 Ų129122.3 Ų122.369%0.6969%0.69SS**  trans57.771138.2-55.4-16.2000120.3
737D31.6Very low44.8Very low161 Ų161124.7 Ų124.786%0.86171%0.712SS**  trans-151.794.5136.8-94-28.8000109.1
738P35.2Very low42.7Very low92 Ų92121.7 Ų121.760%0.59772%0.715SS**  trans-70.9144.8164.430.3-29.3000108.7T740P738-T740 PolarHBondContact O-N 3.07Å; P738-T740 PolarHBondContact O-OG1 3.33Å
739P35.9Very low40.9Very low132 Ų132123.8 Ų123.886%0.85773%0.732SS**  trans-67.692.8154.728.2-27.7000107.2S741P739-S741 PolarHBondContact O-N 3.15Å
740T35Very low38.9Very low110 Ų110126.5 Ų126.568%0.67575%0.752SS**  trans-64.596173.1-370000109.4P738 T742P738-T740 PolarHBondContact O-N 3.07Å; P738-T740 PolarHBondContact O-OG1 3.33Å; T740-T742 HydrophobicContact CG2-CG2 3.99Å
741S34.8Very low37.2Very low102 Ų102131.2 Ų131.271%0.71378%0.78SS**  trans-140.473.7136.560.40000105.6P739P739-S741 PolarHBondContact O-N 3.15Å
742T36.6Very low35.9Very low105 Ų105132.2 Ų132.264%0.64479%0.789SS**  56.991.4107.252.30000112.1T740T740-T742 HydrophobicContact CG2-CG2 3.99Å
743T33.4Very low34.8Very low128 Ų128124 Ų12479%0.78578%0.778SS**  64.492.198.441.30000112.9
744E31.7Very low34.1Very low202 Ų202119.4 Ų119.494%0.94478%0.776SS**SBendtrans-179.73.2137.3-102.3177.1-167.200116.2
745A31.5Very low33.7Very low95 Ų95124.1 Ų124.179%0.78578%0.78SS**  trans-108.716.3-174.600000117
746A32.2Very low33.1Very low107 Ų107119.6 Ų119.688%0.88478%0.779SS**THydrogen-bonded Turntrans-94.217.4-168.700000116.6
747A33.7Very low32.9Very low94 Ų94125.6 Ų125.678%0.77779%0.791SS**THydrogen-bonded Turntrans-133.717.5179.100000116
748V32.6Very low32.7Very low122 Ų122121.9 Ų121.974%0.73978%0.783SS**  trans-12917179.7-172.70000113.3S750V748-S750 VanDerWaalsContact C-N 3.33Å; V748-S750 PolarHBondContact O-N 2.77Å
749A33Very low32.8Very low106 Ų106126.6 Ų126.688%0.87680%0.797SS**  trans-92.120.7-177.100000115
750S32.1Very low32.7Very low93 Ų93125.5 Ų125.565%0.6580%0.799SS**SBendtrans-129.7111.8169.853.80000109.7V748V748-S750 VanDerWaalsContact C-N 3.33Å; V748-S750 PolarHBondContact O-N 2.77Å
751T32.8Very low32.9Very low142 Ų142125.5 Ų125.587%0.87181%0.81SS**SBendtrans66.283162.237.60000120.3
752S33.4Very low33Very low111 Ų111123.5 Ų123.578%0.77681%0.806SS**  trans175.9121.5143.555.10000107.5
753G31.7Very low33.4Very low66 Ų66123.7 Ų123.768%0.6880%0.803SS**  106.6101.369.800000110
754T33.2Very low34.4Very low140 Ų140121.6 Ų121.686%0.85979%0.79SS**  trans45.4134.3145.323.90000122.4
755Q30.3Very low35Very low204 Ų204118.3 Ų118.395%0.95378%0.778SS**  trans88122.6172.3-55.8179.8-8.100114.9
756G30.1Very low36.1Very low71 Ų71119 Ų11973%0.73277%0.772SS**  cis-167.3122.8-5.600000106.4
757R29.1Very low37.5Very low254 Ų254120.2 Ų120.296%0.95876%0.758SS**  71.367.794.8-156.3177.8-166.2148.40.5115
758A29.3Very low39Very low83 Ų83123 Ų12369%0.68675%0.752SS**  trans177.9148.2147.100000109.1
759H35.4Very low40.5Very low192 Ų192122.4 Ų122.489%0.88974%0.744SS**SBendtrans92.96172.7-58.2-62000122.2
760A34.9Very low42.2Very low109 Ų109122.3 Ų122.390%0.90173%0.725SS**  trans-92.713177.500000116.4
761A38.5Very low44.2Very low109 Ų109124.6 Ų124.690%0.90172%0.724SS**  trans-101.311.2-174.600000115.5
762G37.6Very low46Very low61 Ų61123 Ų12363%0.62971%0.709SS**  trans-108.216.5-169.700000117.2T764G762-T764 VanDerWaalsContact C-N 3.29Å; G762-T764 PolarHBondContact O-N 3.39Å
763D45.6Very low47.7Very low108 Ų108119.4 Ų119.458%0.57869%0.686SS**  trans-72.586.6175.7-94.7-10.3000110.3L765 K767D763-L765 PolarHBondContact O-N 3.16Å; D763-K767 IonicContact OD1-NZ 2.75Å
764T53.1Low49.9Very low84 Ų84120.1 Ų120.152%0.51567%0.674SS.*  trans-42.2135.2175.7460000112.2G762 V766 K767G762-T764 VanDerWaalsContact C-N 3.29Å; G762-T764 PolarHBondContact O-N 3.39Å; T764-V766 PolarHBondContact O-N 2.9Å; T764-K767 PolarHBondContact O-N 3.14Å
765L45.3Very low52Low134 Ų134119.3 Ų119.370%0.70266%0.661SS**Hα-helixtrans-45.4-30.5-178.3-166.7141.2000113.3D763 K768 L769D763-L765 PolarHBondContact O-N 3.16Å; L765-K768 PolarHBondContact O-N 2.86Å; L765-L769 HydrophobicContact CD2-CD1 3.44Å; L765-L769 VanDerWaalsContact CD2-CD1 3.44Å; L765-L769 WeakPolarHBondContact O-CB 3.31Å; L765-L769 PolarHBondContact O-N 2.97Å
766V54.2Low54.2Low108 Ų108113 Ų11366%0.65564%0.636SS**Hα-helixtrans-58.7-42.3173.4-175.80000113.4T764 L769 H770T764-V766 PolarHBondContact O-N 2.9Å; V766-L769 PolarHBondContact O-N 3.13Å; V766-H770 VanDerWaalsContact O-CB 3.24Å; V766-H770 WeakPolarHBondContact O-CB 3.39Å; V766-H770 PolarHBondContact O-N 2.87Å
767K62.3Low56.6Low134 Ų134113 Ų11358%0.58362%0.619SS**Hα-helixtrans-67.3-41.1177.6-94.2-177.2176.4-1800112D763 T764 H770 K771D763-K767 IonicContact OD1-NZ 2.75Å; T764-K767 PolarHBondContact O-N 3.14Å; K767-H770 PolarHBondContact O-N 3.32Å; K767-K771 WeakPolarHBondContact O-CB 3.35Å; K767-K771 PolarHBondContact O-N 3.44Å
768K64Low59.1Low151 Ų151102.8 Ų102.866%0.65758%0.582SS**Hα-helixtrans-65-44.1173.9-82.5-176.3180174.50111.2L765 H770 K771 L772L765-K768 PolarHBondContact O-N 2.86Å; K768-H770 VanDerWaalsContact C-N 3.34Å; K768-H770 PolarHBondContact O-N 2.99Å; K768-K771 PolarHBondContact O-N 3.24Å; K768-L772 VanDerWaalsContact O-CB 3.28Å; K768-L772 WeakPolarHBondContact O-CB 3.31Å; K768-L772 PolarHBondContact O-N 3.22Å
769L65.4Low61.5Low110 Ų110102.2 Ų102.258%0.57657%0.567SS**Hα-helixtrans-63.6-39.4176.4-122.7137.2000111.8L765 V766 L772 A773L765-L769 HydrophobicContact CD2-CD1 3.44Å; L765-L769 VanDerWaalsContact CD2-CD1 3.44Å; L765-L769 WeakPolarHBondContact O-CB 3.31Å; L765-L769 PolarHBondContact O-N 2.97Å; V766-L769 PolarHBondContact O-N 3.13Å; L769-L772 PolarHBondContact O-N 3.41Å; L769-A773 WeakPolarHBondContact O-CB 3.22Å; L769-A773 PolarHBondContact O-N 3.13Å
770H68Low63.8Low104 Ų10497.5 Ų97.548%0.48155%0.548SS..Hα-helixtrans-67.8-39.7175.3-170.6-74.4000112.4V766 K767 K768 N774V766-H770 VanDerWaalsContact O-CB 3.24Å; V766-H770 WeakPolarHBondContact O-CB 3.39Å; V766-H770 PolarHBondContact O-N 2.87Å; K767-H770 PolarHBondContact O-N 3.32Å; K768-H770 VanDerWaalsContact C-N 3.34Å; K768-H770 PolarHBondContact O-N 2.99Å; H770-N774 PolarHBondContact CE1-ND2 3.09Å; H770-N774 VanDerWaalsContact CE1-ND2 3.29Å; H770-N774 PolarHBondContact ND1-ND2 3.15Å; H770-N774 WeakPolarHBondContact O-CB 3.38Å; H770-N774 PolarHBondContact O-N 3.44Å
771K74.5Confident66.3Low142 Ų14294.4 Ų94.462%0.61751%0.513SS*.Hα-helixtrans-66.6-42.7174.9-170.7176.9-178.3178.20111.5K767 K768 N774 Q775K767-K771 WeakPolarHBondContact O-CB 3.35Å; K767-K771 PolarHBondContact O-N 3.44Å; K768-K771 PolarHBondContact O-N 3.24Å; K771-N774 PolarHBondContact O-N 3.37Å; K771-Q775 WeakPolarHBondContact O-CG 3.31Å; K771-Q775 PolarHBondContact O-N 3.47Å
772L70.2Confident68.5Low109 Ų10993 Ų9357%0.57148%0.484SS*.Hα-helixtrans-67.6-42.8177.9-158.9149.6000110.7K768 L769 N774 Q775 T776K768-L772 VanDerWaalsContact O-CB 3.28Å; K768-L772 WeakPolarHBondContact O-CB 3.31Å; K768-L772 PolarHBondContact O-N 3.22Å; L769-L772 PolarHBondContact O-N 3.41Å; L772-N774 PolarHBondContact O-N 3.49Å; L772-Q775 PolarHBondContact O-N 3.43Å; L772-T776 HydrophobicContact CD2-CG2 3.93Å; L772-T776 WeakPolarHBondContact O-CG2 3.49Å; L772-T776 PolarHBondContact O-N 2.88Å; L772-T776 PolarHBondContact O-OG1 2.92Å; L772-T776 VanDerWaalsContact O-OG1 3.05Å
773A70.2Confident70.8Confident34 Ų3494.5 Ų94.528%0.28147%0.473SS..Hα-helixtrans-60.5-42.5173.100000112.1L769 T776 I777L769-A773 WeakPolarHBondContact O-CB 3.22Å; L769-A773 PolarHBondContact O-N 3.13Å; A773-T776 WeakPolarHBondContact CA-OG1 3.37Å; A773-T776 PolarHBondContact O-N 3.35Å; A773-T776 PolarHBondContact O-OG1 2.91Å; A773-I777 VanDerWaalsContact O-CB 3.24Å; A773-I777 WeakPolarHBondContact O-CB 3.21Å; A773-I777 WeakPolarHBondContact O-CD1 3.19Å; A773-I777 WeakPolarHBondContact O-CG1 3.48Å; A773-I777 PolarHBondContact O-N 3.49Å
774N76Confident72.7Confident81 Ų8191.9 Ų91.943%0.43346%0.457SS..Hα-helixtrans-64.9-39.9175.7-79.5-4.9000112.1H770 K771 L772 E778H770-N774 PolarHBondContact CE1-ND2 3.09Å; H770-N774 VanDerWaalsContact CE1-ND2 3.29Å; H770-N774 PolarHBondContact ND1-ND2 3.15Å; H770-N774 WeakPolarHBondContact O-CB 3.38Å; H770-N774 PolarHBondContact O-N 3.44Å; K771-N774 PolarHBondContact O-N 3.37Å; L772-N774 PolarHBondContact O-N 3.49Å; N774-E778 WeakPolarHBondContact O-CG 3.46Å; N774-E778 PolarHBondContact O-N 2.88Å
775Q78.1Confident74.2Confident123 Ų12388.8 Ų88.858%0.57544%0.437SS*.Hα-helixtrans-68-40176.5-74.8179.9-22.800112.5K771 L772 E778 L779K771-Q775 WeakPolarHBondContact O-CG 3.31Å; K771-Q775 PolarHBondContact O-N 3.47Å; L772-Q775 PolarHBondContact O-N 3.43Å; Q775-E778 PolarHBondContact O-N 2.98Å; Q775-L779 WeakPolarHBondContact O-CB 3.45Å; Q775-L779 PolarHBondContact O-N 2.82Å
776T75.7Confident76Confident71 Ų7184 Ų8444%0.43641%0.413SS..Hα-helixtrans-71.2-38.5176.752.60000111.9L772 A773 L779 L780L772-T776 HydrophobicContact CD2-CG2 3.93Å; L772-T776 WeakPolarHBondContact O-CG2 3.49Å; L772-T776 PolarHBondContact O-N 2.88Å; L772-T776 PolarHBondContact O-OG1 2.92Å; L772-T776 VanDerWaalsContact O-OG1 3.05Å; A773-T776 WeakPolarHBondContact CA-OG1 3.37Å; A773-T776 PolarHBondContact O-N 3.35Å; A773-T776 PolarHBondContact O-OG1 2.91Å; T776-L779 PolarHBondContact O-N 3.09Å; T776-L780 VanDerWaalsContact O-CB 3.25Å; T776-L780 WeakPolarHBondContact O-CB 3.39Å; T776-L780 PolarHBondContact O-N 3.43Å
777I80.4Confident77.6Confident73 Ų7381.5 Ų81.537%0.37439%0.394SS..Hα-helixtrans-59.3-47.4172.6-71.8164.9000109.6A773 L780 W781A773-I777 VanDerWaalsContact O-CB 3.24Å; A773-I777 WeakPolarHBondContact O-CB 3.21Å; A773-I777 WeakPolarHBondContact O-CD1 3.19Å; A773-I777 WeakPolarHBondContact O-CG1 3.48Å; A773-I777 PolarHBondContact O-N 3.49Å; I777-L780 PolarHBondContact O-N 3.22Å; I777-W781 PolarHBondContact O-N 3.29Å
778E81.9Confident78.8Confident38 Ų3875.5 Ų75.518%0.17837%0.368CS..Hα-helixtrans-65.7-37.8177.1-72-53.1152.100113.4N774 Q775 L780 W781 R782 R912N774-E778 WeakPolarHBondContact O-CG 3.46Å; N774-E778 PolarHBondContact O-N 2.88Å; Q775-E778 PolarHBondContact O-N 2.98Å; E778-L780 VanDerWaalsContact C-N 3.31Å; E778-L780 PolarHBondContact O-N 3.36Å; E778-W781 PolarHBondContact O-N 3.38Å; E778-R782 WeakPolarHBondContact O-CG 3.41Å; E778-R782 PolarHBondContact O-N 2.94Å; E778-R912 IonicContact OE1-CZ 3.71Å; E778-R912 IonicContact OE1-NH1 3.04Å; E778-R912 PolarHBondContact OE1-NH1 3.47Å; E778-R912 IonicContact OE1-NH2 2.65Å; E778-R912 PolarHBondContact OE1-NH2 3.42Å; E778-R912 IonicContact OE2-CZ 2.78Å; E778-R912 IonicContact OE2-NH1 3.6Å; E778-R912 PolarHBondContact OE2-NH1 3.04Å; E778-R912 VanDerWaalsContact OE2-NH1 3.11Å; E778-R912 IonicContact OE2-NH2 2.65Å
779L81.4Confident79.8Confident72 Ų7269.7 Ų69.738%0.37735%0.346SS..Hα-helixtrans-61-42.2173-169.284000111.5Q775 T776 R782 F783 V930 F931Q775-L779 WeakPolarHBondContact O-CB 3.45Å; Q775-L779 PolarHBondContact O-N 2.82Å; T776-L779 PolarHBondContact O-N 3.09Å; L779-R782 PolarHBondContact O-N 3.46Å; L779-F783 PolarHBondContact O-N 3.35Å; L779-V930 HydrophobicContact CD1-CG1 4.3Å; L779-F931 HydrophobicContact CD1-CD1 4.09Å; L779-F931 HydrophobicContact CD1-CE1 3.39Å; L779-F931 HydrophobicContact CD1-CZ 3.91Å; L779-F931 HydrophobicContact CD2-CZ 4.5Å
780L83.6Confident80.9Confident92 Ų9268.2 Ų68.248%0.48234%0.335SS..Hα-helixtrans-67.5-37.9-179.6-173.3135000111.6T776 I777 E778 F783 F784T776-L780 VanDerWaalsContact O-CB 3.25Å; T776-L780 WeakPolarHBondContact O-CB 3.39Å; T776-L780 PolarHBondContact O-N 3.43Å; I777-L780 PolarHBondContact O-N 3.22Å; E778-L780 VanDerWaalsContact C-N 3.31Å; E778-L780 PolarHBondContact O-N 3.36Å; L780-F783 PolarHBondContact O-N 3.15Å; L780-F784 HydrophobicContact CD2-CD2 3.69Å; L780-F784 HydrophobicContact CD2-CE2 3.33Å; L780-F784 HydrophobicContact CD2-CZ 4.34Å; L780-F784 HydrophobicContact CG-CD2 4.26Å; L780-F784 HydrophobicContact CG-CE2 3.98Å; L780-F784 WeakPolarHBondContact O-CD2 3.5Å; L780-F784 PolarHBondContact O-N 3.5Å
781W86.9Confident81.9Confident44 Ų4466.1 Ų66.117%0.16733%0.327CS..Hα-helixtrans-67.8-34.8171.2-69.4108.8000113.4I777 E778 F784 E785 F905 V909 R912I777-W781 PolarHBondContact O-N 3.29Å; E778-W781 PolarHBondContact O-N 3.38Å; W781-F784 PolarHBondContact O-N 2.82Å; W781-E785 WeakPolarHBondContact O-CB 3.27Å; W781-E785 PolarHBondContact O-N 2.95Å; W781-F905 HydrophobicContact CH2-CE2 4.35Å; W781-F905 HydrophobicContact CH2-CZ 4.43Å; W781-F905 HydrophobicContact CZ3-CE2 4.46Å; W781-F905 HydrophobicContact CZ3-CZ 4.24Å; W781-V909 HydrophobicContact CE3-CB 4.37Å; W781-V909 HydrophobicContact CE3-CG1 4.21Å; W781-V909 HydrophobicContact CE3-CG2 4.02Å; W781-V909 HydrophobicContact CZ3-CB 4.17Å; W781-V909 HydrophobicContact CZ3-CG2 3.6Å; W781-R912 VanDerWaalsContact CE2-CD 3.46Å
782R83.3Confident82.6Confident81 Ų8159.5 Ų59.531%0.30630%0.299SS..Hα-helixtrans-66.9-40.8172.9-73.3-179.4-178.8-175.8-0.5111.9E778 L779 E785 V786E778-R782 WeakPolarHBondContact O-CG 3.41Å; E778-R782 PolarHBondContact O-N 2.94Å; L779-R782 PolarHBondContact O-N 3.46Å; R782-E785 WeakPolarHBondContact O-CB 3.34Å; R782-E785 PolarHBondContact O-N 2.84Å; R782-V786 PolarHBondContact O-N 3.39Å
783F86.1Confident83.6Confident91 Ų9155.5 Ų55.540%0.39928%0.277SS..Hα-helixtrans-60.9-47.3173.4178.1-93.8000111.3L779 L780 E785 V786 H787L779-F783 PolarHBondContact O-N 3.35Å; L780-F783 PolarHBondContact O-N 3.15Å; F783-E785 VanDerWaalsContact C-N 3.29Å; F783-E785 PolarHBondContact O-N 3.13Å; F783-V786 PolarHBondContact O-N 3.46Å; F783-H787 AromaticContact CD2-CD2 3.7Å; F783-H787 AromaticContact CE2-CD2 3.48Å; F783-H787 VanDerWaalsContact CE2-CD2 3.48Å; F783-H787 WeakPolarHBondContact CE2-CD2 3.33Å; F783-H787 AromaticContact CE2-NE2 3.82Å; F783-H787 AromaticContact CZ-CD2 3.88Å; F783-H787 PolarHBondContact O-CD2 3.04Å; F783-H787 PolarHBondContact O-N 3.1Å; F783-H787 VanDerWaalsContact O-N 3.07Å
784F86.6Confident84.6Confident53 Ų5355.5 Ų55.523%0.23227%0.273CS..Hα-helixtrans-61.3-38.9174.3-78.2-45.7000111.7L780 W781 V786 H787 I788 I791 F905 V909L780-F784 HydrophobicContact CD2-CD2 3.69Å; L780-F784 HydrophobicContact CD2-CE2 3.33Å; L780-F784 HydrophobicContact CD2-CZ 4.34Å; L780-F784 HydrophobicContact CG-CD2 4.26Å; L780-F784 HydrophobicContact CG-CE2 3.98Å; L780-F784 WeakPolarHBondContact O-CD2 3.5Å; L780-F784 PolarHBondContact O-N 3.5Å; W781-F784 PolarHBondContact O-N 2.82Å; F784-V786 VanDerWaalsContact C-N 3.3Å; F784-V786 PolarHBondContact O-N 3.2Å; F784-H787 PolarHBondContact O-N 3.43Å; F784-I788 HydrophobicContact CD1-CD1 4.44Å; F784-I788 WeakPolarHBondContact O-CA 3.4Å; F784-I788 WeakPolarHBondContact O-CB 3.47Å; F784-I788 WeakPolarHBondContact O-CG2 3.29Å; F784-I788 PolarHBondContact O-N 2.74Å; F784-I791 HydrophobicContact CD1-CD1 4.32Å; F784-I791 HydrophobicContact CE1-CD1 4.42Å; F784-F905 HydrophobicContact CD2-CE1 4.38Å; F784-F905 HydrophobicContact CD2-CZ 4.47Å; F784-F905 HydrophobicContact CE2-CE1 4.34Å; F784-F905 HydrophobicContact CE2-CZ 4.35Å; F784-V909 HydrophobicContact CB-CG1 4.07Å; F784-V909 HydrophobicContact CB-CG2 4.39Å
785E85Confident85.3Confident20 Ų2054.2 Ų54.29%0.09327%0.265CS..Hα-helixtrans-59.2-39.6177.3-176.2176.5-169.200113.7W781 R782 F783 R917 R927W781-E785 WeakPolarHBondContact O-CB 3.27Å; W781-E785 PolarHBondContact O-N 2.95Å; R782-E785 WeakPolarHBondContact O-CB 3.34Å; R782-E785 PolarHBondContact O-N 2.84Å; F783-E785 VanDerWaalsContact C-N 3.29Å; F783-E785 PolarHBondContact O-N 3.13Å; E785-R917 IonicContact OE1-CZ 2.59Å; E785-R917 IonicContact OE1-NH1 3.27Å; E785-R917 PolarHBondContact OE1-NH1 3.47Å; E785-R917 IonicContact OE1-NH2 3.19Å; E785-R917 PolarHBondContact OE1-NH2 2.88Å; E785-R917 IonicContact OE2-CZ 3.73Å; E785-R917 IonicContact OE2-NH1 2.63Å; E785-R917 IonicContact OE2-NH2 2.61Å; E785-R917 PolarHBondContact OE2-NH2 2.89Å; E785-R927 HydrophobicContact CG-CG 4.48Å
786V82.7Confident85.9Confident33 Ų3348.5 Ų48.520%0.224%0.239CC..Hα-helixtrans-75.7-35.1-179.9177.10000112.2R782 F783 F784 R927 V930R782-V786 PolarHBondContact O-N 3.39Å; F783-V786 PolarHBondContact O-N 3.46Å; F784-V786 VanDerWaalsContact C-N 3.3Å; F784-V786 PolarHBondContact O-N 3.2Å; V786-R927 WeakPolarHBondContact CG2-O 3.33Å; V786-V930 HydrophobicContact CG2-CG2 4.22Å
787H87.5Confident86.6Confident55 Ų5545.2 Ų45.226%0.25522%0.219SC..Hα-helixtrans-111.1-10.2-169.3-66.7-80.7000115.6F783 F784 S789 K790 I791F783-H787 AromaticContact CD2-CD2 3.7Å; F783-H787 AromaticContact CE2-CD2 3.48Å; F783-H787 VanDerWaalsContact CE2-CD2 3.48Å; F783-H787 WeakPolarHBondContact CE2-CD2 3.33Å; F783-H787 AromaticContact CE2-NE2 3.82Å; F783-H787 AromaticContact CZ-CD2 3.88Å; F783-H787 PolarHBondContact O-CD2 3.04Å; F783-H787 PolarHBondContact O-N 3.1Å; F783-H787 VanDerWaalsContact O-N 3.07Å; F784-H787 PolarHBondContact O-N 3.43Å; H787-S789 VanDerWaalsContact C-N 3.33Å; H787-S789 PolarHBondContact O-N 2.84Å; H787-K790 PolarHBondContact O-N 3.42Å; H787-K790 VanDerWaalsContact O-N 3.14Å; H787-I791 HydrophobicContact CB-CD1 4.09Å; H787-I791 HydrophobicContact CB-CG1 4.49Å; H787-I791 WeakPolarHBondContact O-CG1 3.39Å; H787-I791 PolarHBondContact O-N 3.28Å
788I87.2Confident87.2Confident9 Ų945.1 Ų45.15%0.04622%0.218CC..Hα-helixtrans-60.5-37.9-170.8-168.863.6000113.2F784 I791 V792 F905 Q906F784-I788 HydrophobicContact CD1-CD1 4.44Å; F784-I788 WeakPolarHBondContact O-CA 3.4Å; F784-I788 WeakPolarHBondContact O-CB 3.47Å; F784-I788 WeakPolarHBondContact O-CG2 3.29Å; F784-I788 PolarHBondContact O-N 2.74Å; I788-I791 PolarHBondContact O-N 3.22Å; I788-V792 HydrophobicContact CD1-CG2 4.45Å; I788-V792 HydrophobicContact CG1-CG2 4.36Å; I788-V792 VanDerWaalsContact O-CG2 3.28Å; I788-V792 WeakPolarHBondContact O-CG2 3.39Å; I788-V792 PolarHBondContact O-N 3.34Å; I788-F905 HydrophobicContact CD1-CD1 3.95Å; I788-F905 HydrophobicContact CD1-CE1 4.26Å; I788-Q906 HydrophobicContact CG1-CB 4.06Å; I788-Q906 HydrophobicContact CG1-CG 4.19Å; I788-Q906 HydrophobicContact CG2-CG 4.22Å
789S84.9Confident87.6Confident28 Ų2844.1 Ų44.120%0.19621%0.214CC..Hα-helixtrans-63.2-45.1177.553.80000111.7H787 I791 V792 F793H787-S789 VanDerWaalsContact C-N 3.33Å; H787-S789 PolarHBondContact O-N 2.84Å; S789-I791 PolarHBondContact O-N 3.17Å; S789-V792 PolarHBondContact O-N 2.96Å; S789-F793 WeakPolarHBondContact O-CD2 3.17Å; S789-F793 WeakPolarHBondContact O-CG 3.48Å; S789-F793 PolarHBondContact O-N 3.27Å
790K88.2Confident88.1Confident79 Ų7940.7 Ų40.734%0.34320%0.196SC..Hα-helixtrans-62.3-42175.4-57.8174.3-173.9175.80111.5H787 F793 V794H787-K790 PolarHBondContact O-N 3.42Å; H787-K790 VanDerWaalsContact O-N 3.14Å; K790-F793 PolarHBondContact O-N 2.93Å; K790-V794 VanDerWaalsContact O-CG2 3.31Å; K790-V794 WeakPolarHBondContact O-CG2 3.33Å; K790-V794 PolarHBondContact O-N 3.46Å
791I88.8Confident88.3Confident60 Ų6036.4 Ų36.431%0.30817%0.174SC..Hα-helixtrans-63.1-45.2178.4-66.9166.6000110.6F784 H787 I788 S789 F793 V794 I795F784-I791 HydrophobicContact CD1-CD1 4.32Å; F784-I791 HydrophobicContact CE1-CD1 4.42Å; H787-I791 HydrophobicContact CB-CD1 4.09Å; H787-I791 HydrophobicContact CB-CG1 4.49Å; H787-I791 WeakPolarHBondContact O-CG1 3.39Å; H787-I791 PolarHBondContact O-N 3.28Å; I788-I791 PolarHBondContact O-N 3.22Å; S789-I791 PolarHBondContact O-N 3.17Å; I791-F793 VanDerWaalsContact C-N 3.34Å; I791-F793 PolarHBondContact O-N 3.43Å; I791-V794 PolarHBondContact O-N 3.43Å; I791-I795 HydrophobicContact CG2-CD1 3.97Å; I791-I795 WeakPolarHBondContact O-CG1 3.45Å; I791-I795 PolarHBondContact O-N 3.18Å
792V89.9Confident88.4Confident3 Ų339 Ų392%0.01819%0.191CC..Hα-helixtrans-62.2-41.7176.61720000111I788 S789 V794 I795 I796 A902 L903 Q906I788-V792 HydrophobicContact CD1-CG2 4.45Å; I788-V792 HydrophobicContact CG1-CG2 4.36Å; I788-V792 VanDerWaalsContact O-CG2 3.28Å; I788-V792 WeakPolarHBondContact O-CG2 3.39Å; I788-V792 PolarHBondContact O-N 3.34Å; S789-V792 PolarHBondContact O-N 2.96Å; V792-V794 PolarHBondContact O-N 3.35Å; V792-I795 PolarHBondContact O-N 2.97Å; V792-I796 HydrophobicContact CG1-CD1 3.79Å; V792-I796 HydrophobicContact CG1-CG1 4.48Å; V792-I796 WeakPolarHBondContact O-CG1 3.39Å; V792-I796 PolarHBondContact O-N 3.42Å; V792-A902 HydrophobicContact CG2-CB 4.36Å; V792-L903 HydrophobicContact CG1-CD2 3.77Å; V792-L903 HydrophobicContact CG1-CG 4.28Å; V792-Q906 HydrophobicContact CG2-CB 4.24Å
793F90.9Very high88.6Confident26 Ų2638 Ų3811%0.11419%0.191CC..Hα-helixtrans-62.7-40.8175.7-63.4-23.7000113S789 K790 I791 I796 A797 L815 A818 I819 A825 F1069S789-F793 WeakPolarHBondContact O-CD2 3.17Å; S789-F793 WeakPolarHBondContact O-CG 3.48Å; S789-F793 PolarHBondContact O-N 3.27Å; K790-F793 PolarHBondContact O-N 2.93Å; I791-F793 VanDerWaalsContact C-N 3.34Å; I791-F793 PolarHBondContact O-N 3.43Å; F793-I796 PolarHBondContact O-N 2.99Å; F793-A797 VanDerWaalsContact O-CB 3.28Å; F793-A797 WeakPolarHBondContact O-CB 3.4Å; F793-A797 PolarHBondContact O-N 3.13Å; F793-L815 HydrophobicContact CB-CD1 3.79Å; F793-L815 HydrophobicContact CD1-CD1 3.75Å; F793-L815 HydrophobicContact CG-CD1 3.94Å; F793-A818 HydrophobicContact CE1-CB 3.89Å; F793-A818 HydrophobicContact CE2-CB 4.48Å; F793-A818 HydrophobicContact CZ-CB 3.7Å; F793-I819 HydrophobicContact CD2-CG1 4.1Å; F793-I819 HydrophobicContact CE2-CG1 4.44Å; F793-A825 HydrophobicContact CZ-CB 3.74Å; F793-F1069 HydrophobicContact CB-CZ 4.14Å
794V90.6Very high88.6Confident33 Ų3335.7 Ų35.720%0.218%0.183CC..Hα-helixtrans-63.4-44.1174.6171.10000111.1K790 I791 V792 I796 A797 I798 F1069 F1070 L1073K790-V794 VanDerWaalsContact O-CG2 3.31Å; K790-V794 WeakPolarHBondContact O-CG2 3.33Å; K790-V794 PolarHBondContact O-N 3.46Å; I791-V794 PolarHBondContact O-N 3.43Å; V792-V794 PolarHBondContact O-N 3.35Å; V794-I796 VanDerWaalsContact C-N 3.33Å; V794-I796 PolarHBondContact O-N 2.91Å; V794-A797 PolarHBondContact O-N 3.46Å; V794-I798 HydrophobicContact CG1-CD1 3.7Å; V794-I798 HydrophobicContact CG1-CG1 4.39Å; V794-I798 VanDerWaalsContact O-CG1 3.29Å; V794-I798 WeakPolarHBondContact O-CG1 3.08Å; V794-I798 PolarHBondContact O-N 2.96Å; V794-F1069 HydrophobicContact CG2-CE1 3.98Å; V794-F1070 HydrophobicContact CG1-CZ 4.36Å; V794-F1070 HydrophobicContact CG2-CE1 4.37Å; V794-L1073 HydrophobicContact CG2-CD2 4.4Å
795I91.5Very high88.6Confident54 Ų5435 Ų3528%0.27718%0.182SC..Hα-helixtrans-60-45.4177.8-68.8167.1000110.6I791 V792 F799 V898 A902I791-I795 HydrophobicContact CG2-CD1 3.97Å; I791-I795 WeakPolarHBondContact O-CG1 3.45Å; I791-I795 PolarHBondContact O-N 3.18Å; V792-I795 PolarHBondContact O-N 2.97Å; I795-F799 WeakPolarHBondContact O-CB 3.37Å; I795-F799 PolarHBondContact O-N 3.06Å; I795-V898 HydrophobicContact CG2-CG1 4.34Å; I795-A902 HydrophobicContact CD1-CB 4.04Å
796I91.3Very high88.8Confident4 Ų434.6 Ų34.62%0.02118%0.182CC..Hα-helixtrans-67.6-41.9178.6-65.7170.3000110.9V792 F793 V794 I798 F799 I800 L811 L815 M833V792-I796 HydrophobicContact CG1-CD1 3.79Å; V792-I796 HydrophobicContact CG1-CG1 4.48Å; V792-I796 WeakPolarHBondContact O-CG1 3.39Å; V792-I796 PolarHBondContact O-N 3.42Å; F793-I796 PolarHBondContact O-N 2.99Å; V794-I796 VanDerWaalsContact C-N 3.33Å; V794-I796 PolarHBondContact O-N 2.91Å; I796-I798 PolarHBondContact O-N 3.24Å; I796-F799 PolarHBondContact O-N 3.45Å; I796-I800 HydrophobicContact CG2-CD1 3.65Å; I796-I800 HydrophobicContact CG2-CG1 4.27Å; I796-I800 VanDerWaalsContact O-CG1 3.25Å; I796-I800 WeakPolarHBondContact O-CG1 3.43Å; I796-I800 PolarHBondContact O-N 3.26Å; I796-L811 HydrophobicContact CG2-CD2 3.88Å; I796-L811 HydrophobicContact CG2-CG 4.11Å; I796-L815 HydrophobicContact CG2-CD2 4.34Å; I796-M833 HydrophobicContact CD1-CE 4.07Å; I796-M833 HydrophobicContact CG2-CE 3.89Å
797A90.9Very high89.1Confident2 Ų233.6 Ų33.62%0.01718%0.175CC..Hα-helixtrans-60.7-44.5178.100000112.2F793 V794 I800 A801 L815 F1069F793-A797 VanDerWaalsContact O-CB 3.28Å; F793-A797 WeakPolarHBondContact O-CB 3.4Å; F793-A797 PolarHBondContact O-N 3.13Å; V794-A797 PolarHBondContact O-N 3.46Å; A797-I800 PolarHBondContact O-N 3.31Å; A797-A801 VanDerWaalsContact O-CB 3.28Å; A797-A801 WeakPolarHBondContact O-CB 3.35Å; A797-A801 PolarHBondContact O-N 2.95Å; A797-L815 HydrophobicContact CB-CD2 3.92Å; A797-F1069 HydrophobicContact CB-CD1 3.83Å; A797-F1069 HydrophobicContact CB-CD2 3.76Å; A797-F1069 HydrophobicContact CB-CE1 3.76Å; A797-F1069 HydrophobicContact CB-CE2 3.65Å; A797-F1069 HydrophobicContact CB-CG 3.84Å; A797-F1069 HydrophobicContact CB-CZ 3.67Å
798I91.4Very high89.3Confident70 Ų7031 Ų3136%0.35916%0.163SC..Hα-helixtrans-65.4-42.3176.8-67168.3000110.5V794 I796 I800 A801 N802 I1066V794-I798 HydrophobicContact CG1-CD1 3.7Å; V794-I798 HydrophobicContact CG1-CG1 4.39Å; V794-I798 VanDerWaalsContact O-CG1 3.29Å; V794-I798 WeakPolarHBondContact O-CG1 3.08Å; V794-I798 PolarHBondContact O-N 2.96Å; I796-I798 PolarHBondContact O-N 3.24Å; I798-I800 PolarHBondContact O-N 3.5Å; I798-A801 PolarHBondContact O-N 3.27Å; I798-N802 PolarHBondContact O-N 3.14Å; I798-N802 VanDerWaalsContact O-N 3.14Å; I798-I1066 HydrophobicContact CG1-CD1 4.49Å
799F90.6Very high89.5Confident18 Ų1832.4 Ų32.48%0.07917%0.17CC..Hα-helixtrans-60.3-43.6177.3169-111.9000112.3I795 I796 N803 Y808 L811 L837 V896I795-F799 WeakPolarHBondContact O-CB 3.37Å; I795-F799 PolarHBondContact O-N 3.06Å; I796-F799 PolarHBondContact O-N 3.45Å; F799-N803 WeakPolarHBondContact CE2-ND2 3.31Å; F799-N803 PolarHBondContact O-N 3.38Å; F799-N803 PolarHBondContact O-ND2 3.13Å; F799-Y808 HydrophobicContact CE1-CD1 4.02Å; F799-Y808 AromaticContact CE1-CE1 3.53Å; F799-Y808 HydrophobicContact CE1-CE1 3.53Å; F799-Y808 AromaticContact CE1-CZ 3.93Å; F799-Y808 AromaticContact CZ-CE1 3.66Å; F799-Y808 HydrophobicContact CZ-CE1 3.66Å; F799-Y808 HydrophobicContact CZ-CE2 4.42Å; F799-Y808 AromaticContact CZ-CZ 3.6Å; F799-Y808 WeakPolarHBondContact CZ-OH 3.46Å; F799-L811 HydrophobicContact CD1-CD2 4.4Å; F799-L811 HydrophobicContact CE1-CD2 4.41Å; F799-L837 HydrophobicContact CE1-CD2 4.21Å; F799-V896 HydrophobicContact CE2-CG2 4.24Å; F799-V896 HydrophobicContact CZ-CG2 3.68Å
800I91.7Very high89.8Confident0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-71.3-42.9178.6-60.7162.3000111.3I796 A797 I798 N802 N803 L811 V812 L815 F1016I796-I800 HydrophobicContact CG2-CD1 3.65Å; I796-I800 HydrophobicContact CG2-CG1 4.27Å; I796-I800 VanDerWaalsContact O-CG1 3.25Å; I796-I800 WeakPolarHBondContact O-CG1 3.43Å; I796-I800 PolarHBondContact O-N 3.26Å; A797-I800 PolarHBondContact O-N 3.31Å; I798-I800 PolarHBondContact O-N 3.5Å; I800-N802 PolarHBondContact O-N 3.34Å; I800-N803 CarbonylContact O-C 3.55Å; I800-N803 VanDerWaalsContact O-C 3.26Å; I800-N803 PolarHBondContact O-N 2.92Å; I800-N803 VanDerWaalsContact O-O 3.11Å; I800-L811 HydrophobicContact CD1-CB 3.94Å; I800-L811 HydrophobicContact CD1-CD2 3.74Å; I800-L811 HydrophobicContact CD1-CG 3.88Å; I800-L811 HydrophobicContact CG1-CB 4.46Å; I800-L811 HydrophobicContact CG1-CD2 3.72Å; I800-L811 HydrophobicContact CG1-CG 4.39Å; I800-V812 HydrophobicContact CB-CG2 4.49Å; I800-V812 HydrophobicContact CD1-CG2 4.02Å; I800-V812 HydrophobicContact CG2-CG2 3.43Å; I800-V812 VanDerWaalsContact CG2-CG2 3.43Å; I800-L815 HydrophobicContact CD1-CD2 4.2Å; I800-F1016 HydrophobicContact CG2-CD2 4.17Å; I800-F1016 HydrophobicContact CG2-CE2 3.39Å; I800-F1016 HydrophobicContact CG2-CZ 3.6Å
801A89.3Confident89.9Confident2 Ų229.8 Ų29.82%0.01716%0.161CC..Hα-helixtrans-61.7-30.7-179.400000112.6A797 I798 S1062 L1065 I1066A797-A801 VanDerWaalsContact O-CB 3.28Å; A797-A801 WeakPolarHBondContact O-CB 3.35Å; A797-A801 PolarHBondContact O-N 2.95Å; I798-A801 PolarHBondContact O-N 3.27Å; A801-S1062 WeakPolarHBondContact O-CB 2.99Å; A801-L1065 HydrophobicContact CB-CB 4.24Å; A801-I1066 HydrophobicContact CB-CD1 4.26Å; A801-I1066 HydrophobicContact CB-CG1 3.84Å
802N88.4Confident90.1Very high98 Ų9827.1 Ų27.152%0.52415%0.147SC..Hα-helixtrans-83.5-16.8176.4-71.9-13.7000114.1I798 I800 S1062I798-N802 PolarHBondContact O-N 3.14Å; I798-N802 VanDerWaalsContact O-N 3.14Å; I800-N802 PolarHBondContact O-N 3.34Å; N802-S1062 WeakPolarHBondContact OD1-CB 3.45Å; N802-S1062 PolarHBondContact OD1-OG 2.95Å
803N86.7Confident90.2Very high59 Ų5930.2 Ų30.232%0.31616%0.163SC..  trans-125.380.9178.9-61.4-78.9000109.5F799 I800 N805 Y808F799-N803 WeakPolarHBondContact CE2-ND2 3.31Å; F799-N803 PolarHBondContact O-N 3.38Å; F799-N803 PolarHBondContact O-ND2 3.13Å; I800-N803 CarbonylContact O-C 3.55Å; I800-N803 VanDerWaalsContact O-C 3.26Å; I800-N803 PolarHBondContact O-N 2.92Å; I800-N803 VanDerWaalsContact O-O 3.11Å; N803-N805 VanDerWaalsContact C-N 3.32Å; N803-N805 PolarHBondContact O-N 3.13Å; N803-Y808 HydrophobicContact CB-CD2 4.09Å; N803-Y808 HydrophobicContact CB-CE2 3.68Å; N803-Y808 VanDerWaalsContact O-CD2 3.24Å; N803-Y808 WeakPolarHBondContact O-CD2 3.32Å
804I86.9Confident90.2Very high43 Ų4330.9 Ų30.922%0.22117%0.167CC..  trans-80.679.1-177.4-52.7175.4000109.4F1016 Y1019 V1020 W1060 L1065I804-F1016 HydrophobicContact CB-CE2 4.47Å; I804-F1016 HydrophobicContact CG1-CE2 4.38Å; I804-F1016 HydrophobicContact CG2-CE2 4.15Å; I804-F1016 HydrophobicContact CG2-CZ 4.32Å; I804-Y1019 HydrophobicContact CD1-CD2 4.37Å; I804-V1020 HydrophobicContact CG2-CG2 3.71Å; I804-W1060 HydrophobicContact CD1-CB 4.38Å; I804-L1065 HydrophobicContact CD1-CD1 4.37Å
805N87Confident90.3Very high40 Ų4029.3 Ų29.321%0.21416%0.158CC..  trans-127.6155.7-179-55.1-1.8000110.8N803 L807 Y808 G879N803-N805 VanDerWaalsContact C-N 3.32Å; N803-N805 PolarHBondContact O-N 3.13Å; N805-L807 VanDerWaalsContact C-N 3.25Å; N805-L807 PolarHBondContact O-N 3.24Å; N805-Y808 HydrophobicContact CB-CD2 4.15Å; N805-Y808 HydrophobicContact CB-CE2 4.37Å; N805-Y808 PolarHBondContact O-N 3.27Å; N805-G879 WeakPolarHBondContact ND2-CA 3.38Å
806A88.3Confident90.3Very high11 Ų1127.1 Ų27.19%0.09115%0.147CC..G310 helixtrans-61.3-31-179.200000113.3Y808 I809 W877 F878 V1020A806-Y808 PolarHBondContact O-N 3.04Å; A806-I809 HydrophobicContact CB-CD1 4.19Å; A806-I809 WeakPolarHBondContact O-CB 3.16Å; A806-I809 WeakPolarHBondContact O-CG1 3.3Å; A806-I809 PolarHBondContact O-N 3.4Å; A806-I809 VanDerWaalsContact O-N 3.16Å; A806-W877 HydrophobicContact CB-CD2 4.33Å; A806-W877 HydrophobicContact CB-CE3 4.08Å; A806-W877 HydrophobicContact CB-CH2 3.81Å; A806-W877 HydrophobicContact CB-CZ2 4.06Å; A806-W877 HydrophobicContact CB-CZ3 3.81Å; A806-W877 PolarHBondContact N-O 3.47Å; A806-F878 HydrophobicContact CB-CD2 4.36Å; A806-V1020 HydrophobicContact CB-CG1 4.44Å
807L88.9Confident90.2Very high12 Ų1230.5 Ų30.56%0.06317%0.165CC..G310 helixtrans-54.7-27.1177.7-160.881.6000114N805 Y836 V840 F878N805-L807 VanDerWaalsContact C-N 3.25Å; N805-L807 PolarHBondContact O-N 3.24Å; L807-Y836 WeakPolarHBondContact O-CE1 3.45Å; L807-Y836 PolarHBondContact O-OH 3.23Å; L807-V840 HydrophobicContact CD1-CG2 4.45Å; L807-V840 HydrophobicContact CD2-CB 4.11Å; L807-V840 HydrophobicContact CD2-CG1 3.43Å; L807-V840 VanDerWaalsContact CD2-CG1 3.43Å; L807-V840 HydrophobicContact CD2-CG2 3.62Å; L807-V840 HydrophobicContact CG-CG2 3.99Å; L807-F878 WeakPolarHBondContact CB-O 3.25Å; L807-F878 HydrophobicContact CD1-CD1 4.06Å; L807-F878 HydrophobicContact CD1-CE1 3.48Å; L807-F878 VanDerWaalsContact CD1-CE1 3.48Å; L807-F878 HydrophobicContact CD1-CZ 4.09Å; L807-F878 PolarHBondContact N-O 3.45Å; L807-F878 VanDerWaalsContact N-O 3.1Å
808Y92.1Very high90.1Very high1 Ų130.6 Ų30.60%0.00417%0.166CC..G310 helixtrans-96.6-2.4-174.9-58.9-59.4000114.2F799 N803 N805 A806 L811 V812 V840 K844F799-Y808 HydrophobicContact CE1-CD1 4.02Å; F799-Y808 AromaticContact CE1-CE1 3.53Å; F799-Y808 HydrophobicContact CE1-CE1 3.53Å; F799-Y808 AromaticContact CE1-CZ 3.93Å; F799-Y808 AromaticContact CZ-CE1 3.66Å; F799-Y808 HydrophobicContact CZ-CE1 3.66Å; F799-Y808 HydrophobicContact CZ-CE2 4.42Å; F799-Y808 AromaticContact CZ-CZ 3.6Å; F799-Y808 WeakPolarHBondContact CZ-OH 3.46Å; N803-Y808 HydrophobicContact CB-CD2 4.09Å; N803-Y808 HydrophobicContact CB-CE2 3.68Å; N803-Y808 VanDerWaalsContact O-CD2 3.24Å; N803-Y808 WeakPolarHBondContact O-CD2 3.32Å; N805-Y808 HydrophobicContact CB-CD2 4.15Å; N805-Y808 HydrophobicContact CB-CE2 4.37Å; N805-Y808 PolarHBondContact O-N 3.27Å; A806-Y808 PolarHBondContact O-N 3.04Å; Y808-L811 HydrophobicContact CD1-CD2 4.25Å; Y808-L811 WeakPolarHBondContact O-CA 3.5Å; Y808-L811 WeakPolarHBondContact O-CB 3.47Å; Y808-L811 PolarHBondContact O-N 3.36Å; Y808-V812 PolarHBondContact O-N 2.93Å; Y808-V812 VanDerWaalsContact O-N 3.09Å; Y808-V840 HydrophobicContact CE1-CG1 4.48Å; Y808-K844 PolarHBondContact OH-NZ 3.16Å
809I90.6Very high90Very high37 Ų3728 Ų2819%0.1915%0.152CC..Hα-helixtrans-51.3-48.8175.3-73.5169.3000112.3A806 L811 V812 I813 F1016 F1017A806-I809 HydrophobicContact CB-CD1 4.19Å; A806-I809 WeakPolarHBondContact O-CB 3.16Å; A806-I809 WeakPolarHBondContact O-CG1 3.3Å; A806-I809 PolarHBondContact O-N 3.4Å; A806-I809 VanDerWaalsContact O-N 3.16Å; I809-L811 PolarHBondContact O-N 3.25Å; I809-V812 PolarHBondContact O-N 3.43Å; I809-I813 HydrophobicContact CG2-CD1 4.1Å; I809-I813 WeakPolarHBondContact O-CG1 3.47Å; I809-I813 PolarHBondContact O-N 3.28Å; I809-F1016 HydrophobicContact CG1-CD1 4.33Å; I809-F1016 HydrophobicContact CG1-CE1 4.02Å; I809-F1017 HydrophobicContact CB-CE1 4.31Å; I809-F1017 HydrophobicContact CD1-CD1 4.18Å; I809-F1017 HydrophobicContact CD1-CE1 3.99Å; I809-F1017 HydrophobicContact CG1-CD1 4.33Å; I809-F1017 HydrophobicContact CG1-CE1 3.99Å; I809-F1017 HydrophobicContact CG2-CE1 3.43Å; I809-F1017 VanDerWaalsContact CG2-CE1 3.43Å; I809-F1017 HydrophobicContact CG2-CZ 3.9Å
810P91.3Very high89.7Confident52 Ų5230 Ų3034%0.33817%0.168SC..Hα-helixtrans-60.7-32.3177.3-24.135.2000112.8L814P810-L814 WeakPolarHBondContact O-CB 3.34Å; P810-L814 VanDerWaalsContact O-CG 3.23Å; P810-L814 WeakPolarHBondContact O-CG 3.27Å; P810-L814 PolarHBondContact O-N 3.27Å
811L91.5Very high89.4Confident1 Ų134.3 Ų34.31%0.00519%0.19CC..Hα-helixtrans-68.5-39.8179.2-150.374.2000111.2I796 F799 I800 Y808 I809 L815 M833 Y836 L837I796-L811 HydrophobicContact CG2-CD2 3.88Å; I796-L811 HydrophobicContact CG2-CG 4.11Å; F799-L811 HydrophobicContact CD1-CD2 4.4Å; F799-L811 HydrophobicContact CE1-CD2 4.41Å; I800-L811 HydrophobicContact CD1-CB 3.94Å; I800-L811 HydrophobicContact CD1-CD2 3.74Å; I800-L811 HydrophobicContact CD1-CG 3.88Å; I800-L811 HydrophobicContact CG1-CB 4.46Å; I800-L811 HydrophobicContact CG1-CD2 3.72Å; I800-L811 HydrophobicContact CG1-CG 4.39Å; Y808-L811 HydrophobicContact CD1-CD2 4.25Å; Y808-L811 WeakPolarHBondContact O-CA 3.5Å; Y808-L811 WeakPolarHBondContact O-CB 3.47Å; Y808-L811 PolarHBondContact O-N 3.36Å; I809-L811 PolarHBondContact O-N 3.25Å; L811-L815 VanDerWaalsContact O-CB 3.22Å; L811-L815 WeakPolarHBondContact O-CB 3.37Å; L811-L815 PolarHBondContact O-N 3.24Å; L811-M833 HydrophobicContact CD1-CB 4.36Å; L811-M833 HydrophobicContact CD1-CE 3.43Å; L811-M833 VanDerWaalsContact CD1-CE 3.43Å; L811-M833 HydrophobicContact CD1-CG 4.42Å; L811-M833 HydrophobicContact CD1-SD 3.26Å; L811-M833 WeakPolarHBondContact CD1-SD 3.35Å; L811-M833 HydrophobicContact CG-CE 3.53Å; L811-M833 HydrophobicContact CG-SD 3.95Å; L811-Y836 HydrophobicContact CD1-CD1 4.29Å; L811-L837 HydrophobicContact CD2-CD2 4.2Å
812V92.6Very high88.9Confident3 Ų338.7 Ų38.72%0.01822%0.219CC..Hα-helixtrans-66.1-43.1176.3178.40000111.7I800 Y808 I809 L815 S816 Y1012 P1013 F1016I800-V812 HydrophobicContact CB-CG2 4.49Å; I800-V812 HydrophobicContact CD1-CG2 4.02Å; I800-V812 HydrophobicContact CG2-CG2 3.43Å; I800-V812 VanDerWaalsContact CG2-CG2 3.43Å; Y808-V812 PolarHBondContact O-N 2.93Å; Y808-V812 VanDerWaalsContact O-N 3.09Å; I809-V812 PolarHBondContact O-N 3.43Å; V812-L815 PolarHBondContact O-N 2.85Å; V812-S816 PolarHBondContact O-N 3.19Å; V812-S816 PolarHBondContact O-OG 3.35Å; V812-Y1012 HydrophobicContact CG1-CD1 4.12Å; V812-Y1012 HydrophobicContact CG1-CE1 3.84Å; V812-P1013 HydrophobicContact CG1-CB 4.49Å; V812-F1016 HydrophobicContact CG1-CB 4.34Å; V812-F1016 HydrophobicContact CG1-CG 4.46Å; V812-F1016 HydrophobicContact CG2-CD1 3.85Å; V812-F1016 HydrophobicContact CG2-CD2 4.11Å; V812-F1016 HydrophobicContact CG2-CE1 3.94Å; V812-F1016 HydrophobicContact CG2-CE2 4.22Å; V812-F1016 HydrophobicContact CG2-CG 3.93Å; V812-F1016 HydrophobicContact CG2-CZ 4.13Å
813I92Very high88.4Confident69 Ų6939.5 Ų39.535%0.35423%0.232SC..Hα-helixtrans-63.7-48.6177.2-62.2169.9000109.7I809 L815 S816 L817 F1017I809-I813 HydrophobicContact CG2-CD1 4.1Å; I809-I813 WeakPolarHBondContact O-CG1 3.47Å; I809-I813 PolarHBondContact O-N 3.28Å; I813-L815 VanDerWaalsContact C-N 3.27Å; I813-L815 PolarHBondContact O-N 3.45Å; I813-S816 PolarHBondContact O-N 3.16Å; I813-S816 PolarHBondContact O-OG 3.49Å; I813-L817 HydrophobicContact CG2-CD1 3.93Å; I813-L817 HydrophobicContact CG2-CG 4.48Å; I813-L817 WeakPolarHBondContact O-CB 3.48Å; I813-L817 VanDerWaalsContact O-CG 3.29Å; I813-L817 WeakPolarHBondContact O-CG 3.36Å; I813-L817 PolarHBondContact O-N 3.24Å; I813-F1017 HydrophobicContact CD1-CZ 4.2Å
814L91.6Very high88.3Confident39 Ų3938.2 Ų38.220%0.20423%0.23CC..Hα-helixtrans-61.9-35.1177.2-72.2172000112.2P810 A818 F829 M833P810-L814 WeakPolarHBondContact O-CB 3.34Å; P810-L814 VanDerWaalsContact O-CG 3.23Å; P810-L814 WeakPolarHBondContact O-CG 3.27Å; P810-L814 PolarHBondContact O-N 3.27Å; L814-A818 WeakPolarHBondContact O-CB 3.37Å; L814-A818 PolarHBondContact O-N 3.1Å; L814-F829 HydrophobicContact CD2-CD1 3.89Å; L814-F829 HydrophobicContact CD2-CE1 4.18Å; L814-M833 HydrophobicContact CB-CE 4.35Å; L814-M833 HydrophobicContact CB-SD 3.44Å; L814-M833 WeakPolarHBondContact CB-SD 3.47Å; L814-M833 HydrophobicContact CD1-CG 4.47Å; L814-M833 HydrophobicContact CD1-SD 3.64Å; L814-M833 HydrophobicContact CG-SD 4.19Å
815L91.7Very high87.9Confident0 Ų036.3 Ų36.30%022%0.221CC..Hα-helixtrans-69-47.1177.2-177.364.1000112.7F793 I796 A797 I800 L811 V812 I813 L817 A818 I819 M833 F1069F793-L815 HydrophobicContact CB-CD1 3.79Å; F793-L815 HydrophobicContact CD1-CD1 3.75Å; F793-L815 HydrophobicContact CG-CD1 3.94Å; I796-L815 HydrophobicContact CG2-CD2 4.34Å; A797-L815 HydrophobicContact CB-CD2 3.92Å; I800-L815 HydrophobicContact CD1-CD2 4.2Å; L811-L815 VanDerWaalsContact O-CB 3.22Å; L811-L815 WeakPolarHBondContact O-CB 3.37Å; L811-L815 PolarHBondContact O-N 3.24Å; V812-L815 PolarHBondContact O-N 2.85Å; I813-L815 VanDerWaalsContact C-N 3.27Å; I813-L815 PolarHBondContact O-N 3.45Å; L815-L817 VanDerWaalsContact C-N 3.34Å; L815-L817 PolarHBondContact O-N 3.48Å; L815-A818 PolarHBondContact O-N 3.33Å; L815-I819 PolarHBondContact O-N 3.3Å; L815-I819 VanDerWaalsContact O-N 3.1Å; L815-M833 HydrophobicContact CB-CE 4.45Å; L815-F1069 HydrophobicContact CD1-CE2 4.34Å; L815-F1069 HydrophobicContact CD2-CD2 4.38Å; L815-F1069 HydrophobicContact CD2-CE2 3.83Å; L815-F1069 HydrophobicContact CG-CE2 4.07Å
816S91Very high87.4Confident9 Ų936.5 Ų36.56%0.06322%0.221CC..Hα-helixtrans-62.2-40.6176.861.60000111.9V812 I813 I819 C820V812-S816 PolarHBondContact O-N 3.19Å; V812-S816 PolarHBondContact O-OG 3.35Å; I813-S816 PolarHBondContact O-N 3.16Å; I813-S816 PolarHBondContact O-OG 3.49Å; S816-I819 PolarHBondContact O-N 3.2Å; S816-C820 PolarHBondContact O-N 3.23Å; S816-C820 PolarHBondContact O-SG 3.11Å
817L89.6Confident87Confident75 Ų7538 Ų3839%0.39324%0.238SC..Hα-helixtrans-66.3-40.2173.6-69.4174.6000112.3I813 L815 I819 C820 L821I813-L817 HydrophobicContact CG2-CD1 3.93Å; I813-L817 HydrophobicContact CG2-CG 4.48Å; I813-L817 WeakPolarHBondContact O-CB 3.48Å; I813-L817 VanDerWaalsContact O-CG 3.29Å; I813-L817 WeakPolarHBondContact O-CG 3.36Å; I813-L817 PolarHBondContact O-N 3.24Å; L815-L817 VanDerWaalsContact C-N 3.34Å; L815-L817 PolarHBondContact O-N 3.48Å; L817-I819 VanDerWaalsContact C-N 3.31Å; L817-I819 PolarHBondContact O-N 3.44Å; L817-C820 PolarHBondContact O-N 3.31Å; L817-L821 WeakPolarHBondContact O-CB 3.42Å; L817-L821 PolarHBondContact O-N 3.25Å
818A88.6Confident86.9Confident4 Ų442.4 Ų42.43%0.03326%0.261CS..Hα-helixtrans-64.7-32.4178.800000112.9F793 L814 L815 L821 A825 F829F793-A818 HydrophobicContact CE1-CB 3.89Å; F793-A818 HydrophobicContact CE2-CB 4.48Å; F793-A818 HydrophobicContact CZ-CB 3.7Å; L814-A818 WeakPolarHBondContact O-CB 3.37Å; L814-A818 PolarHBondContact O-N 3.1Å; L815-A818 PolarHBondContact O-N 3.33Å; A818-L821 CarbonylContact O-C 3.55Å; A818-A825 HydrophobicContact CB-CB 4.39Å; A818-F829 HydrophobicContact CB-CD2 4.28Å
819I89.1Confident86.7Confident15 Ų1544.3 Ų44.38%0.07727%0.269CS..Hα-helixtrans-72.7-40.4175-70.3166.6000111.4F793 L815 S816 L817 L821 F1069 S1076F793-I819 HydrophobicContact CD2-CG1 4.1Å; F793-I819 HydrophobicContact CE2-CG1 4.44Å; L815-I819 PolarHBondContact O-N 3.3Å; L815-I819 VanDerWaalsContact O-N 3.1Å; S816-I819 PolarHBondContact O-N 3.2Å; L817-I819 VanDerWaalsContact C-N 3.31Å; L817-I819 PolarHBondContact O-N 3.44Å; I819-L821 VanDerWaalsContact C-N 3.34Å; I819-F1069 HydrophobicContact CD1-CD2 4.05Å; I819-F1069 HydrophobicContact CD1-CE2 3.23Å; I819-F1069 HydrophobicContact CD1-CZ 3.74Å; I819-S1076 WeakPolarHBondContact CG2-OG 3.41Å
820C85.9Confident86.6Confident59 Ų5943 Ų4340%0.39926%0.264SS..Hα-helixtrans-71.6-29.2178.2-63.80000112.5S816 L817 P822S816-C820 PolarHBondContact O-N 3.23Å; S816-C820 PolarHBondContact O-SG 3.11Å; L817-C820 PolarHBondContact O-N 3.31Å; C820-P822 WeakPolarHBondContact O-CD 3.39Å
821L83.9Confident86.4Confident91 Ų9144 Ų4448%0.47627%0.266SS..  trans-123.775.2-175.4-61.4173.1000112.3L817 A818 I819 S823 A824L817-L821 WeakPolarHBondContact O-CB 3.42Å; L817-L821 PolarHBondContact O-N 3.25Å; A818-L821 CarbonylContact O-C 3.55Å; I819-L821 VanDerWaalsContact C-N 3.34Å; L821-S823 PolarHBondContact O-N 3.44Å; L821-S823 VanDerWaalsContact O-N 3.1Å; L821-A824 PolarHBondContact O-N 3.14Å
822P78.9Confident86.3Confident95 Ų9549.5 Ų49.562%0.61729%0.289SS*.Hα-helixtrans-65.9-16.1-173.624.8-34.7000115.1C820C820-P822 WeakPolarHBondContact O-CD 3.39Å
823S78.8Confident86.3Confident115 Ų11549.8 Ų49.880%0.80429%0.291SS*.Hα-helixtrans-74.6-32.9179.753.60000113.8L821L821-S823 PolarHBondContact O-N 3.44Å; L821-S823 VanDerWaalsContact O-N 3.1Å
824A83.7Confident86.2Confident32 Ų3246.8 Ų46.826%0.26428%0.276SS..Hα-helixtrans-92-16.5-178.400000113.4L821 D826 G827 I828 F829L821-A824 PolarHBondContact O-N 3.14Å; A824-D826 PolarHBondContact O-N 3.34Å; A824-G827 PolarHBondContact O-N 2.82Å; A824-I828 PolarHBondContact O-N 3.22Å; A824-F829 HydrophobicContact CB-CD2 3.9Å; A824-F829 HydrophobicContact CB-CE2 3.56Å; A824-F829 HydrophobicContact CB-CZ 4.3Å
825A78.9Confident86.1Confident3 Ų347.1 Ų47.13%0.02529%0.285CS..Iπ-helixtrans-53.1-53.2-179.100000114.5F793 A818 G827 S830F793-A825 HydrophobicContact CZ-CB 3.74Å; A818-A825 HydrophobicContact CB-CB 4.39Å; A825-G827 PolarHBondContact O-N 3.29Å; A825-S830 PolarHBondContact O-N 2.71Å
826D76.8Confident86.1Confident43 Ų4350.3 Ų50.323%0.2330%0.297CS..Iπ-helixtrans-72.1-16.2-170.6-72.4-28.6000114A824 S830 Q906 R927A824-D826 PolarHBondContact O-N 3.34Å; D826-S830 PolarHBondContact O-OG 3.43Å; D826-Q906 PolarHBondContact OD1-NE2 2.95Å; D826-R927 IonicContact OD2-CZ 2.66Å; D826-R927 IonicContact OD2-NH2 2.72Å; D826-R927 PolarHBondContact OD2-NH2 3.16Å
827G80.3Confident86.1Confident43 Ų4349.9 Ų49.944%0.44329%0.294SS..Iπ-helixtrans-105.3-92.1-17900000111.6A824 A825 S830 L831A824-G827 PolarHBondContact O-N 2.82Å; A825-G827 PolarHBondContact O-N 3.29Å; G827-S830 PolarHBondContact O-OG 3.19Å; G827-S830 VanDerWaalsContact O-OG 3.08Å; G827-L831 PolarHBondContact O-N 2.89Å
828I85.7Confident86.1Confident105 Ų10546.8 Ų46.854%0.53828%0.277SS..Iπ-helixtrans-67.9-48.8-165.9-61.5171.4000111.4A824 S830 L831 F832A824-I828 PolarHBondContact O-N 3.22Å; I828-S830 PolarHBondContact O-N 3.05Å; I828-L831 WeakPolarHBondContact O-CB 3.4Å; I828-L831 PolarHBondContact O-N 3.22Å; I828-F832 HydrophobicContact CG2-CD2 3.59Å; I828-F832 HydrophobicContact CG2-CE2 3.19Å; I828-F832 HydrophobicContact CG2-CZ 3.99Å; I828-F832 WeakPolarHBondContact O-CD2 3.26Å; I828-F832 PolarHBondContact O-N 2.66Å
829F88.8Confident86.2Confident40 Ų4052.2 Ų52.218%0.17531%0.305CS..Iπ-helixtrans-63.1-42.4-179.2-63.2-42.9000111.2L814 A818 A824 L831 F832 M833L814-F829 HydrophobicContact CD2-CD1 3.89Å; L814-F829 HydrophobicContact CD2-CE1 4.18Å; A818-F829 HydrophobicContact CB-CD2 4.28Å; A824-F829 HydrophobicContact CB-CD2 3.9Å; A824-F829 HydrophobicContact CB-CE2 3.56Å; A824-F829 HydrophobicContact CB-CZ 4.3Å; F829-L831 VanDerWaalsContact C-N 3.29Å; F829-L831 PolarHBondContact O-N 3.4Å; F829-F832 PolarHBondContact O-N 3.24Å; F829-M833 WeakPolarHBondContact O-CB 3.41Å; F829-M833 WeakPolarHBondContact O-CG 3.42Å; F829-M833 PolarHBondContact O-N 3.05Å
830S87.2Confident86.2Confident11 Ų1151.7 Ų51.78%0.07730%0.303CS..Hα-helixtrans-61.9-33176.787.30000114K632 A825 D826 G827 I828 C834K632-S830 PolarHBondContact NZ-OG 2.76Å; A825-S830 PolarHBondContact O-N 2.71Å; D826-S830 PolarHBondContact O-OG 3.43Å; G827-S830 PolarHBondContact O-OG 3.19Å; G827-S830 VanDerWaalsContact O-OG 3.08Å; I828-S830 PolarHBondContact O-N 3.05Å; S830-C834 WeakPolarHBondContact O-CB 3.49Å; S830-C834 PolarHBondContact O-N 3.43Å; S830-C834 VanDerWaalsContact O-N 3.15Å
831L87.9Confident86.3Confident73 Ų7348.9 Ų48.938%0.38228%0.284SS..Hα-helixtrans-69.9-48.3176.5-175.887.6000110.6G827 I828 F829 M833 C834 A835G827-L831 PolarHBondContact O-N 2.89Å; I828-L831 WeakPolarHBondContact O-CB 3.4Å; I828-L831 PolarHBondContact O-N 3.22Å; F829-L831 VanDerWaalsContact C-N 3.29Å; F829-L831 PolarHBondContact O-N 3.4Å; L831-M833 PolarHBondContact O-N 3.03Å; L831-C834 PolarHBondContact O-N 3.49Å; L831-A835 WeakPolarHBondContact O-CB 3.11Å; L831-A835 PolarHBondContact O-N 3.48Å
832F90.3Very high86.5Confident115 Ų11547 Ų4750%0.50427%0.274SS..Hα-helixtrans-63.9-40.3179-70.1-39.1000112.2I828 F829 C834 A835 Y836I828-F832 HydrophobicContact CG2-CD2 3.59Å; I828-F832 HydrophobicContact CG2-CE2 3.19Å; I828-F832 HydrophobicContact CG2-CZ 3.99Å; I828-F832 WeakPolarHBondContact O-CD2 3.26Å; I828-F832 PolarHBondContact O-N 2.66Å; F829-F832 PolarHBondContact O-N 3.24Å; F832-C834 VanDerWaalsContact C-N 3.34Å; F832-C834 PolarHBondContact O-N 3.46Å; F832-A835 PolarHBondContact O-N 3.05Å; F832-Y836 VanDerWaalsContact O-CB 3.23Å; F832-Y836 WeakPolarHBondContact O-CB 3.5Å; F832-Y836 PolarHBondContact O-N 3Å
833M90.8Very high86.9Confident9 Ų944.9 Ų44.94%0.04426%0.261CS..Hα-helixtrans-60.9-43.4174-60.7-75.5-89.100111I796 L811 L814 L815 F829 L831 L837 L903I796-M833 HydrophobicContact CD1-CE 4.07Å; I796-M833 HydrophobicContact CG2-CE 3.89Å; L811-M833 HydrophobicContact CD1-CB 4.36Å; L811-M833 HydrophobicContact CD1-CE 3.43Å; L811-M833 VanDerWaalsContact CD1-CE 3.43Å; L811-M833 HydrophobicContact CD1-CG 4.42Å; L811-M833 HydrophobicContact CD1-SD 3.26Å; L811-M833 WeakPolarHBondContact CD1-SD 3.35Å; L811-M833 HydrophobicContact CG-CE 3.53Å; L811-M833 HydrophobicContact CG-SD 3.95Å; L814-M833 HydrophobicContact CB-CE 4.35Å; L814-M833 HydrophobicContact CB-SD 3.44Å; L814-M833 WeakPolarHBondContact CB-SD 3.47Å; L814-M833 HydrophobicContact CD1-CG 4.47Å; L814-M833 HydrophobicContact CD1-SD 3.64Å; L814-M833 HydrophobicContact CG-SD 4.19Å; L815-M833 HydrophobicContact CB-CE 4.45Å; F829-M833 WeakPolarHBondContact O-CB 3.41Å; F829-M833 WeakPolarHBondContact O-CG 3.42Å; F829-M833 PolarHBondContact O-N 3.05Å; L831-M833 PolarHBondContact O-N 3.03Å; M833-L837 WeakPolarHBondContact O-CB 3.45Å; M833-L837 VanDerWaalsContact O-CG 3.22Å; M833-L837 WeakPolarHBondContact O-CG 3.44Å; M833-L837 PolarHBondContact O-N 3.32Å; M833-L903 HydrophobicContact CB-CD1 4.25Å
834C90.2Very high87.4Confident6 Ų640.1 Ų40.14%0.04123%0.226CC..Hα-helixtrans-66.2-47.4179.3-1650000112.3S830 L831 F832 Y836 L837 F838 L903S830-C834 WeakPolarHBondContact O-CB 3.49Å; S830-C834 PolarHBondContact O-N 3.43Å; S830-C834 VanDerWaalsContact O-N 3.15Å; L831-C834 PolarHBondContact O-N 3.49Å; F832-C834 VanDerWaalsContact C-N 3.34Å; F832-C834 PolarHBondContact O-N 3.46Å; C834-Y836 VanDerWaalsContact C-N 3.35Å; C834-Y836 PolarHBondContact O-N 3.24Å; C834-L837 PolarHBondContact O-N 3.46Å; C834-F838 WeakPolarHBondContact O-CD2 3.2Å; C834-F838 PolarHBondContact O-N 2.93Å; C834-F838 WeakPolarHBondContact SG-CE2 3.06Å; C834-L903 HydrophobicContact CB-CD1 3.93Å
835A89.5Confident87.5Confident47 Ų4738.9 Ų38.939%0.38822%0.215SC..Hα-helixtrans-62.8-41.3178.300000111.9L831 F832 F838 L839L831-A835 WeakPolarHBondContact O-CB 3.11Å; L831-A835 PolarHBondContact O-N 3.48Å; F832-A835 PolarHBondContact O-N 3.05Å; A835-F838 PolarHBondContact O-N 3.5Å; A835-L839 PolarHBondContact O-N 2.68Å; A835-L839 VanDerWaalsContact O-N 3.11Å
836Y92Very high87.8Confident66 Ų6642.9 Ų42.926%0.25924%0.235SC..Hα-helixtrans-64.5-44.1176.2-171.4-106000111.6L807 L811 F832 C834 F838 L839 V840L807-Y836 WeakPolarHBondContact O-CE1 3.45Å; L807-Y836 PolarHBondContact O-OH 3.23Å; L811-Y836 HydrophobicContact CD1-CD1 4.29Å; F832-Y836 VanDerWaalsContact O-CB 3.23Å; F832-Y836 WeakPolarHBondContact O-CB 3.5Å; F832-Y836 PolarHBondContact O-N 3Å; C834-Y836 VanDerWaalsContact C-N 3.35Å; C834-Y836 PolarHBondContact O-N 3.24Å; Y836-F838 VanDerWaalsContact C-N 3.32Å; Y836-F838 PolarHBondContact O-N 3.19Å; Y836-L839 PolarHBondContact O-N 3.05Å; Y836-V840 HydrophobicContact CD1-CG2 4.15Å; Y836-V840 HydrophobicContact CE1-CG2 3.88Å; Y836-V840 WeakPolarHBondContact O-CG2 3.48Å; Y836-V840 PolarHBondContact O-N 2.69Å
837L91.2Very high88.3Confident1 Ų142 Ų421%0.00523%0.228CC..Hα-helixtrans-62.6-35.1176.1-73.2171.3000113F799 L811 M833 C834 V840 A841 V896 I900 L903F799-L837 HydrophobicContact CE1-CD2 4.21Å; L811-L837 HydrophobicContact CD2-CD2 4.2Å; M833-L837 WeakPolarHBondContact O-CB 3.45Å; M833-L837 VanDerWaalsContact O-CG 3.22Å; M833-L837 WeakPolarHBondContact O-CG 3.44Å; M833-L837 PolarHBondContact O-N 3.32Å; C834-L837 PolarHBondContact O-N 3.46Å; L837-V840 PolarHBondContact O-N 3.32Å; L837-A841 PolarHBondContact O-N 3.35Å; L837-V896 HydrophobicContact CB-CG1 4.11Å; L837-V896 HydrophobicContact CD2-CG1 4.2Å; L837-V896 WeakPolarHBondContact O-CG1 3.2Å; L837-I900 HydrophobicContact CB-CD1 4.32Å; L837-I900 HydrophobicContact CB-CG1 4.01Å; L837-L903 HydrophobicContact CD1-CD1 3.94Å
838F89.8Confident88.6Confident10 Ų1041.4 Ų41.44%0.04421%0.214CC..Hα-helixtrans-66.3-42.6172.8-74.8-52.3000112.9A625 L628 I629 C834 A835 Y836 V840 A841 L842 I900A625-F838 HydrophobicContact CB-CD1 3.96Å; A625-F838 HydrophobicContact CB-CE1 3.97Å; L628-F838 HydrophobicContact CB-CZ 3.97Å; L628-F838 HydrophobicContact CD1-CZ 4.48Å; I629-F838 HydrophobicContact CD1-CD2 3.63Å; I629-F838 HydrophobicContact CD1-CE2 3.93Å; I629-F838 HydrophobicContact CD1-CG 4.24Å; I629-F838 HydrophobicContact CG1-CD2 3.53Å; I629-F838 HydrophobicContact CG1-CE2 3.28Å; I629-F838 HydrophobicContact CG1-CG 4.47Å; I629-F838 HydrophobicContact CG1-CZ 4.06Å; C834-F838 WeakPolarHBondContact O-CD2 3.2Å; C834-F838 PolarHBondContact O-N 2.93Å; C834-F838 WeakPolarHBondContact SG-CE2 3.06Å; A835-F838 PolarHBondContact O-N 3.5Å; Y836-F838 VanDerWaalsContact C-N 3.32Å; Y836-F838 PolarHBondContact O-N 3.19Å; F838-V840 VanDerWaalsContact C-N 3.32Å; F838-V840 PolarHBondContact O-N 3.08Å; F838-A841 PolarHBondContact O-N 3.35Å; F838-L842 PolarHBondContact O-N 3.43Å; F838-I900 HydrophobicContact CD1-CD1 3.55Å; F838-I900 HydrophobicContact CD1-CG1 4.25Å; F838-I900 HydrophobicContact CD1-CG2 4.43Å; F838-I900 HydrophobicContact CE1-CB 4.38Å; F838-I900 HydrophobicContact CE1-CD1 3.62Å; F838-I900 HydrophobicContact CE1-CG1 4.05Å; F838-I900 HydrophobicContact CE1-CG2 3.44Å; F838-I900 VanDerWaalsContact CE1-CG2 3.44Å; F838-I900 HydrophobicContact CE2-CG2 4.38Å; F838-I900 HydrophobicContact CG-CD1 4.35Å; F838-I900 HydrophobicContact CZ-CD1 4.45Å; F838-I900 HydrophobicContact CZ-CG1 4.42Å; F838-I900 HydrophobicContact CZ-CG2 3.4Å; F838-I900 VanDerWaalsContact CZ-CG2 3.4Å
839L90Very high88.3Confident118 Ų11836.9 Ų36.962%0.61819%0.191SC*.Hα-helixtrans-61.4-42.7175.4-75.6168.1000111.1A835 Y836 A841 L842 S843A835-L839 PolarHBondContact O-N 2.68Å; A835-L839 VanDerWaalsContact O-N 3.11Å; Y836-L839 PolarHBondContact O-N 3.05Å; L839-A841 PolarHBondContact O-N 2.92Å; L839-L842 PolarHBondContact O-N 2.71Å; L839-S843 WeakPolarHBondContact O-CB 3.29Å; L839-S843 PolarHBondContact O-N 3.47Å; L839-S843 PolarHBondContact O-OG 3.38Å
840V89.3Confident87.7Confident4 Ų441.8 Ų41.82%0.02422%0.219CC..Hα-helixtrans-61.1-40.9174.21660000112L807 Y808 Y836 L837 F838 S843 K844L807-V840 HydrophobicContact CD1-CG2 4.45Å; L807-V840 HydrophobicContact CD2-CB 4.11Å; L807-V840 HydrophobicContact CD2-CG1 3.43Å; L807-V840 VanDerWaalsContact CD2-CG1 3.43Å; L807-V840 HydrophobicContact CD2-CG2 3.62Å; L807-V840 HydrophobicContact CG-CG2 3.99Å; Y808-V840 HydrophobicContact CE1-CG1 4.48Å; Y836-V840 HydrophobicContact CD1-CG2 4.15Å; Y836-V840 HydrophobicContact CE1-CG2 3.88Å; Y836-V840 WeakPolarHBondContact O-CG2 3.48Å; Y836-V840 PolarHBondContact O-N 2.69Å; L837-V840 PolarHBondContact O-N 3.32Å; F838-V840 VanDerWaalsContact C-N 3.32Å; F838-V840 PolarHBondContact O-N 3.08Å; V840-S843 PolarHBondContact O-OG 2.95Å; V840-K844 HydrophobicContact CG1-CD 4.41Å; V840-K844 WeakPolarHBondContact O-CB 3.31Å; V840-K844 WeakPolarHBondContact O-CG 3.38Å; V840-K844 PolarHBondContact O-N 3.18Å; V840-K844 VanDerWaalsContact O-N 3.07Å
841A88.1Confident87.2Confident0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-66.6-44.1178.500000112.3F621 L837 F838 L839 K844 M845 L893 V896F621-A841 HydrophobicContact CE1-CB 4.13Å; F621-A841 HydrophobicContact CZ-CB 4.19Å; L837-A841 PolarHBondContact O-N 3.35Å; F838-A841 PolarHBondContact O-N 3.35Å; L839-A841 PolarHBondContact O-N 2.92Å; A841-K844 PolarHBondContact O-N 2.99Å; A841-M845 PolarHBondContact O-N 3.4Å; A841-L893 HydrophobicContact CB-CD2 3.94Å; A841-V896 HydrophobicContact CB-CG1 4.03Å
842L88.3Confident86.7Confident52 Ų5243.2 Ų43.227%0.27223%0.226SC..Hα-helixtrans-67.1-42.3177.5-74.8171.3000112F621 F838 L839 K844 M845 I846F621-L842 HydrophobicContact CD1-CD2 4.07Å; F621-L842 HydrophobicContact CE1-CD2 4.41Å; F838-L842 PolarHBondContact O-N 3.43Å; L839-L842 PolarHBondContact O-N 2.71Å; L842-K844 VanDerWaalsContact C-N 3.28Å; L842-K844 PolarHBondContact O-N 2.97Å; L842-M845 PolarHBondContact O-N 3.09Å; L842-I846 WeakPolarHBondContact O-CB 3.35Å; L842-I846 VanDerWaalsContact O-CG1 3.27Å; L842-I846 WeakPolarHBondContact O-CG1 3.44Å; L842-I846 PolarHBondContact O-N 3.4Å
843S87.8Confident85.8Confident49 Ų4941.7 Ų41.734%0.34323%0.228SC..Hα-helixtrans-62.2-39.1176.966.70000111.3L839 V840 Y847L839-S843 WeakPolarHBondContact O-CB 3.29Å; L839-S843 PolarHBondContact O-N 3.47Å; L839-S843 PolarHBondContact O-OG 3.38Å; V840-S843 PolarHBondContact O-OG 2.95Å; S843-Y847 WeakPolarHBondContact O-CB 3.46Å; S843-Y847 PolarHBondContact O-N 2.97Å; S843-Y847 VanDerWaalsContact O-N 3.11Å
844K88Confident84.7Confident16 Ų1645.2 Ų45.27%0.0724%0.244CC..Hα-helixtrans-63.5-44.8173.2-79.6-173.5167-166.20112.5Y808 V840 A841 L842 Y847 Q848 L880 M892 L893Y808-K844 PolarHBondContact OH-NZ 3.16Å; V840-K844 HydrophobicContact CG1-CD 4.41Å; V840-K844 WeakPolarHBondContact O-CB 3.31Å; V840-K844 WeakPolarHBondContact O-CG 3.38Å; V840-K844 PolarHBondContact O-N 3.18Å; V840-K844 VanDerWaalsContact O-N 3.07Å; A841-K844 PolarHBondContact O-N 2.99Å; L842-K844 VanDerWaalsContact C-N 3.28Å; L842-K844 PolarHBondContact O-N 2.97Å; K844-Y847 PolarHBondContact O-N 3.48Å; K844-Q848 WeakPolarHBondContact O-CG 3.46Å; K844-L880 HydrophobicContact CG-CD2 4.34Å; K844-M892 HydrophobicContact CB-CE 3.66Å; K844-M892 HydrophobicContact CB-SD 3.94Å; K844-M892 HydrophobicContact CD-CE 3.76Å; K844-M892 HydrophobicContact CD-SD 4.33Å; K844-M892 HydrophobicContact CG-CE 3.62Å; K844-M892 HydrophobicContact CG-SD 4.41Å; K844-L893 HydrophobicContact CB-CD2 4.1Å; K844-L893 HydrophobicContact CD-CD2 4.48Å
845M85.7Confident83.8Confident5 Ų548.6 Ų48.63%0.02526%0.262CS..Hα-helixtrans-67.2-38.6177.7-72.8-160.982.900113.5P613 I618 F621 A841 L842 Y847 Q848 L893P613-M845 HydrophobicContact CB-CE 4.38Å; I618-M845 HydrophobicContact CG1-CE 4.42Å; F621-M845 HydrophobicContact CB-SD 3.97Å; F621-M845 HydrophobicContact CD1-SD 3.6Å; F621-M845 HydrophobicContact CD2-SD 4.03Å; F621-M845 HydrophobicContact CE1-SD 4.04Å; F621-M845 HydrophobicContact CE2-SD 4.43Å; F621-M845 HydrophobicContact CG-SD 3.59Å; F621-M845 VanDerWaalsContact CG-SD 3.59Å; F621-M845 HydrophobicContact CZ-SD 4.44Å; A841-M845 PolarHBondContact O-N 3.4Å; L842-M845 PolarHBondContact O-N 3.09Å; M845-Y847 VanDerWaalsContact C-N 3.33Å; M845-Q848 PolarHBondContact O-N 2.9Å; M845-L893 HydrophobicContact CG-CD1 3.62Å; M845-L893 HydrophobicContact SD-CD1 3.91Å
846I87.2Confident82.6Confident88 Ų8847.9 Ų47.945%0.45125%0.254SS..Hα-helixtrans-66.8-37.7179-68.4166.5000110.7L842 Q848 L849L842-I846 WeakPolarHBondContact O-CB 3.35Å; L842-I846 VanDerWaalsContact O-CG1 3.27Å; L842-I846 WeakPolarHBondContact O-CG1 3.44Å; L842-I846 PolarHBondContact O-N 3.4Å; I846-Q848 PolarHBondContact O-N 3.01Å; I846-L849 HydrophobicContact CG2-CD1 4.49Å; I846-L849 PolarHBondContact O-N 3.39Å
847Y86.9Confident81.3Confident23 Ų2351.5 Ų51.59%0.0927%0.273CS..Hα-helixtrans-65.2-21.6177.7-166.8-106.8000113.5S843 K844 M845 L849 V852 L855 L880 K882S843-Y847 WeakPolarHBondContact O-CB 3.46Å; S843-Y847 PolarHBondContact O-N 2.97Å; S843-Y847 VanDerWaalsContact O-N 3.11Å; K844-Y847 PolarHBondContact O-N 3.48Å; M845-Y847 VanDerWaalsContact C-N 3.33Å; Y847-L849 VanDerWaalsContact C-N 3.35Å; Y847-V852 HydrophobicContact CD2-CG1 3.93Å; Y847-V852 HydrophobicContact CE2-CG1 4.02Å; Y847-L855 HydrophobicContact CE2-CD1 3.85Å; Y847-L855 PolarHBondContact OH-N 2.91Å; Y847-L880 HydrophobicContact CD1-CB 4.38Å; Y847-L880 HydrophobicContact CE1-CB 4.41Å; Y847-K882 HydrophobicContact CD1-CB 4.48Å; Y847-K882 HydrophobicContact CE1-CB 4.01Å; Y847-K882 HydrophobicContact CE1-CG 4.44Å
848Q85.4Confident80Confident32 Ų3257.1 Ų57.115%0.1530%0.302CS..THydrogen-bonded Turntrans-81.6-5.6176.8-61.2-60.9-14.100114.1P613 K844 M845 I846 K881 E883 M892P613-Q848 HydrophobicContact CG-CB 3.87Å; K844-Q848 WeakPolarHBondContact O-CG 3.46Å; M845-Q848 PolarHBondContact O-N 2.9Å; I846-Q848 PolarHBondContact O-N 3.01Å; Q848-K881 PolarHBondContact NE2-O 3.44Å; Q848-E883 VanDerWaalsContact OE1-N 3.16Å; Q848-M892 HydrophobicContact CG-SD 4.22Å; Q848-M892 VanDerWaalsContact NE2-CE 3.32Å; Q848-M892 PolarHBondContact NE2-SD 2.98Å; Q848-M892 VanDerWaalsContact NE2-SD 3.44Å
849L80.7Confident78.5Confident9 Ų961.2 Ų61.25%0.04733%0.325CS..SBendtrans-66.4138.9174.9-77.3158.2000110.8P613 I618 I846 Y847 I851 V852 K882P613-L849 VanDerWaalsContact O-CD2 3.31Å; P613-L849 WeakPolarHBondContact O-CD2 3.46Å; I618-L849 HydrophobicContact CD1-CD1 3.86Å; I618-L849 HydrophobicContact CD1-CD2 3.97Å; I618-L849 HydrophobicContact CD1-CG 3.92Å; I846-L849 HydrophobicContact CG2-CD1 4.49Å; I846-L849 PolarHBondContact O-N 3.39Å; Y847-L849 VanDerWaalsContact C-N 3.35Å; L849-I851 HydrophobicContact CB-CG1 4Å; L849-I851 PolarHBondContact O-N 3.42Å; L849-I851 VanDerWaalsContact O-N 3.12Å; L849-V852 HydrophobicContact CB-CG2 4.44Å; L849-V852 PolarHBondContact O-N 2.72Å; L849-K882 PolarHBondContact O-NZ 3.46Å
850D76.3Confident76.9Confident144 Ų14465.5 Ų65.577%0.7733%0.332SS*.THydrogen-bonded Turntrans-61-25.1179.7-68.6-22.2000113.2V852D850-V852 PolarHBondContact O-N 2.76Å
851I76.7Confident75.2Confident81 Ų8167.7 Ų67.742%0.41536%0.355SS..THydrogen-bonded Turntrans-66.2-18.3177.472.1165.9000113.8W682 A685 L849W682-I851 HydrophobicContact CH2-CD1 4.5Å; A685-I851 HydrophobicContact CB-CG2 4.08Å; L849-I851 HydrophobicContact CB-CG1 4Å; L849-I851 PolarHBondContact O-N 3.42Å; L849-I851 VanDerWaalsContact O-N 3.12Å
852V75.9Confident73.6Confident32 Ų3275.7 Ų75.719%0.19440%0.404CS..SBendtrans-91.8114.2-177.8-176.40000108.8Y847 L849 D850 K882Y847-V852 HydrophobicContact CD2-CG1 3.93Å; Y847-V852 HydrophobicContact CE2-CG1 4.02Å; L849-V852 HydrophobicContact CB-CG2 4.44Å; L849-V852 PolarHBondContact O-N 2.72Å; D850-V852 PolarHBondContact O-N 2.76Å; V852-K882 PolarHBondContact O-NZ 3.37Å
853P71.7Confident72Confident84 Ų8475.7 Ų75.755%0.54542%0.416SS..  trans-64.1150.7179.626.7-33.4000111L855P853-L855 PolarHBondContact O-N 3.4Å
854E68.7Low70.5Confident82 Ų8275.1 Ų75.138%0.38342%0.415SS..  trans-69.699.8178.4-141.3-171.6176.800109.4S856 Q857 K882E854-S856 WeakPolarHBondContact CG-OG 3.33Å; E854-S856 PolarHBondContact O-N 3.29Å; E854-Q857 HydrophobicContact CB-CG 4.43Å; E854-Q857 PolarHBondContact O-N 3.3Å; E854-Q857 PolarHBondContact OE2-NE2 3.46Å; E854-K882 HydrophobicContact CG-CB 4.38Å; E854-K882 HydrophobicContact CG-CD 4.41Å
855L69.8Low69.1Low78 Ų7882.1 Ų82.141%0.40845%0.453SS..G310 helixtrans-60.2-19.9-176.9-8795000112.9Y847 P853 Q857 I858 P875Y847-L855 HydrophobicContact CE2-CD1 3.85Å; Y847-L855 PolarHBondContact OH-N 2.91Å; P853-L855 PolarHBondContact O-N 3.4Å; L855-Q857 PolarHBondContact O-N 3.45Å; L855-I858 PolarHBondContact O-N 2.91Å; L855-P875 HydrophobicContact CB-CG 3.74Å
856S64.9Low67.9Low31 Ų3189.5 Ų89.522%0.21749%0.493CS..G310 helixtrans-59-24.4174.1580000113.6E854E854-S856 WeakPolarHBondContact CG-OG 3.33Å; E854-S856 PolarHBondContact O-N 3.29Å
857Q65.7Low66.7Low143 Ų14387.5 Ų87.567%0.66849%0.486SS*.G310 helixtrans-88-18.5-179.4-62.9-1739.200113.4E854 L855E854-Q857 HydrophobicContact CB-CG 4.43Å; E854-Q857 PolarHBondContact O-N 3.3Å; E854-Q857 PolarHBondContact OE2-NE2 3.46Å; L855-Q857 PolarHBondContact O-N 3.45Å
858I63.4Low65.4Low118 Ų11891.1 Ų91.161%0.60552%0.515SS*.THydrogen-bonded Turntrans-88.5-28.5-171-58.8175.6000112.1L855L855-I858 PolarHBondContact O-N 2.91Å
859D57.4Low64.3Low97 Ų9792.6 Ų92.652%0.51952%0.522SS..  trans-92.16.3-168.1-99.9-11.3000116.4G861D859-G861 VanDerWaalsContact C-N 3.26Å; D859-G861 PolarHBondContact O-N 2.81Å
860R56.6Low63.2Low208 Ų20894.1 Ų94.179%0.78554%0.54SS*.  trans-75.577.7173.7-65.9-172.8-172158.93.8111
861G54.6Low62.5Low49 Ų4995.3 Ų95.351%0.50555%0.546SS..  trans-62.7151.8175.100000113.1D859 G863 A864D859-G861 VanDerWaalsContact C-N 3.26Å; D859-G861 PolarHBondContact O-N 2.81Å; G861-G863 PolarHBondContact O-N 3.23Å; G861-A864 PolarHBondContact O-N 2.86Å; G861-A864 VanDerWaalsContact O-N 3.17Å
862V53.2Low62.1Low168 Ų16894.6 Ų94.6100%1.01854%0.542SS*.THydrogen-bonded Turntrans-58.996.4176.2-173.40000109.3
863G56.1Low61.8Low52 Ų5294 Ų9454%0.53654%0.54SS..THydrogen-bonded Turntrans148.4-19-174.300000114.4G861 D865G861-G863 PolarHBondContact O-N 3.23Å; G863-D865 VanDerWaalsContact C-N 3.26Å; G863-D865 PolarHBondContact O-N 3.23Å
864A55.2Low62.1Low38 Ų3893.6 Ų93.631%0.31453%0.531SS..G310 helixtrans-64.8-22-178.900000114.5G861 N866 C867G861-A864 PolarHBondContact O-N 2.86Å; G861-A864 VanDerWaalsContact O-N 3.17Å; A864-N866 PolarHBondContact O-N 2.91Å; A864-C867 PolarHBondContact O-N 3.28Å
865D59.3Low62.6Low163 Ų16390.4 Ų90.487%0.87252%0.518SS*.G310 helixtrans-65.7-22.9-175.4-65.1-20.7000114G863G863-D865 VanDerWaalsContact C-N 3.26Å; G863-D865 PolarHBondContact O-N 3.23Å
866N60.1Low63Low159 Ų15989.8 Ų89.885%0.8551%0.512SS*.G310 helixtrans-90.1-1.7176.7-84.2-8000113.6A864 S868A864-N866 PolarHBondContact O-N 2.91Å; N866-S868 PolarHBondContact O-N 3.44Å
867C62.4Low63.9Low46 Ų4691.1 Ų91.131%0.31151%0.513SS..  trans-91.7100.7-177.5-56.30000110.1A864 H869 C1027A864-C867 PolarHBondContact O-N 3.28Å; C867-H869 PolarHBondContact O-N 2.88Å; C867-H869 VanDerWaalsContact O-N 3.11Å; C867-C1027 HydrophobicContact CB-CB 4.15Å; C867-C1027 WeakPolarHBondContact CB-SG 3.19Å; C867-C1027 WeakPolarHBondContact SG-CB 3.37Å; C867-C1027 CovalentContact SG-SG 2.01Å; C867-C1027 PolarHBondContact SG-SG 2.9Å
868S60.4Low64.8Low100 Ų10088.4 Ų88.470%0.69950%0.499SS*.  trans-70.9-0179.258.40000114.3N866 G870N866-S868 PolarHBondContact O-N 3.44Å; S868-G870 PolarHBondContact O-N 3.18Å
869H60.3Low65.6Low63 Ų6383.1 Ų83.129%0.29247%0.474SS..SBendtrans-104.775.1-162.8-61.4-62.6000112.6C867 E1029 Y1056C867-H869 PolarHBondContact O-N 2.88Å; C867-H869 VanDerWaalsContact O-N 3.11Å; H869-E1029 IonicContact CD2-OE1 3.44Å; H869-E1029 IonicContact CE1-OE1 3.05Å; H869-E1029 IonicContact NE2-OE1 3.76Å; H869-E1029 PolarHBondContact NE2-OE1 3.42Å; H869-Y1056 HydrophobicContact CB-CD2 3.91Å; H869-Y1056 HydrophobicContact CB-CG 4.05Å
870G58.3Low66.8Low41 Ų4180.3 Ų80.342%0.42346%0.458SS..  trans77.7142.6160.800000117.6S868 I872S868-G870 PolarHBondContact O-N 3.18Å; G870-I872 PolarHBondContact O-N 3.41Å
871N61.9Low67.9Low168 Ų16875.7 Ų75.790%0.89844%0.444SS*.  trans-8815.7-174.9-74-12.3000115.1S873N871-S873 PolarHBondContact O-N 3.05Å
872I67.4Low69Low67 Ų6775.5 Ų75.534%0.34443%0.429SS..  trans-82.9111.5-172.8-54.4173.2000109.7G870 E876 W877 P1024G870-I872 PolarHBondContact O-N 3.41Å; I872-E876 HydrophobicContact CG2-CB 3.89Å; I872-E876 HydrophobicContact CG2-CG 3.95Å; I872-W877 HydrophobicContact CG2-CB 4.48Å; I872-P1024 HydrophobicContact CB-CG 3.97Å; I872-P1024 VanDerWaalsContact O-CG 3.3Å; I872-P1024 WeakPolarHBondContact O-CG 3.33Å
873S70.8Confident69.9Low20 Ų2071.6 Ų71.614%0.1440%0.4CS..  trans-69.5157.1178.663.80000113.3N871 E876 W877 D1025N871-S873 PolarHBondContact O-N 3.05Å; S873-E876 WeakPolarHBondContact O-CA 3.4Å; S873-E876 WeakPolarHBondContact O-CB 3.41Å; S873-E876 PolarHBondContact O-N 3.04Å; S873-W877 PolarHBondContact O-N 3.27Å; S873-D1025 WeakPolarHBondContact CA-OD2 3.5Å
874M77.6Confident70.4Confident75 Ų7574.9 Ų74.937%0.36941%0.409SS..Hα-helixtrans-51.5-46.4178.1-154.5-66.4175.700113.7E876 W877 F878 D1025M874-E876 VanDerWaalsContact C-N 3.25Å; M874-E876 PolarHBondContact O-N 3.29Å; M874-W877 HydrophobicContact CE-CE3 4.04Å; M874-W877 HydrophobicContact CE-CZ3 4Å; M874-W877 PolarHBondContact O-N 2.78Å; M874-W877 HydrophobicContact SD-CE3 4.44Å; M874-F878 PolarHBondContact O-N 3.3Å; M874-D1025 PolarHBondContact N-OD2 3.3Å
875P79.5Confident70.6Confident15 Ų1582.4 Ų82.410%0.09744%0.438CS..Hα-helixtrans-60.4-34.3175.2-22.234000113L855 F878 G879 L880L855-P875 HydrophobicContact CB-CG 3.74Å; P875-F878 PolarHBondContact O-N 2.81Å; P875-G879 PolarHBondContact O-N 2.91Å; P875-L880 CarbonylContact C-O 3.53Å; P875-L880 PolarHBondContact O-N 3.34Å
876E78.3Confident70.6Confident64 Ų6478.6 Ų78.630%0.29944%0.437SS..Hα-helixtrans-72.7-41.1178.3-167.4166.6-15400111.7I872 S873 M874 F878 G879 K881I872-E876 HydrophobicContact CG2-CB 3.89Å; I872-E876 HydrophobicContact CG2-CG 3.95Å; S873-E876 WeakPolarHBondContact O-CA 3.4Å; S873-E876 WeakPolarHBondContact O-CB 3.41Å; S873-E876 PolarHBondContact O-N 3.04Å; M874-E876 VanDerWaalsContact C-N 3.25Å; M874-E876 PolarHBondContact O-N 3.29Å; E876-F878 VanDerWaalsContact C-N 3.26Å; E876-F878 PolarHBondContact O-N 2.66Å; E876-G879 WeakPolarHBondContact O-CA 3.29Å; E876-G879 PolarHBondContact O-N 2.95Å; E876-G879 VanDerWaalsContact O-N 3.1Å; E876-K881 IonicContact OE1-NZ 3.15Å; E876-K881 PolarHBondContact OE1-NZ 2.89Å
877W82.7Confident70.8Confident60 Ų6074.3 Ų74.323%0.22742%0.417CS..Hα-helixtrans-58.8-39170.7176.785000111.8A806 I872 S873 M874 V1020 P1023A806-W877 HydrophobicContact CB-CD2 4.33Å; A806-W877 HydrophobicContact CB-CE3 4.08Å; A806-W877 HydrophobicContact CB-CH2 3.81Å; A806-W877 HydrophobicContact CB-CZ2 4.06Å; A806-W877 HydrophobicContact CB-CZ3 3.81Å; A806-W877 PolarHBondContact N-O 3.47Å; I872-W877 HydrophobicContact CG2-CB 4.48Å; S873-W877 PolarHBondContact O-N 3.27Å; M874-W877 HydrophobicContact CE-CE3 4.04Å; M874-W877 HydrophobicContact CE-CZ3 4Å; M874-W877 PolarHBondContact O-N 2.78Å; M874-W877 HydrophobicContact SD-CE3 4.44Å; W877-V1020 HydrophobicContact CZ2-CG1 4.02Å; W877-V1020 PolarHBondContact NE1-O 3.14Å; W877-P1023 HydrophobicContact CD2-CB 4.06Å; W877-P1023 HydrophobicContact CE3-CB 4.38Å; W877-P1023 HydrophobicContact CG-CB 4.27Å
878F85.7Confident71.1Confident86 Ų8676.3 Ų76.338%0.37742%0.422SS..Hα-helixtrans-68.3-38.3174.9-161.3-103.8000112A806 L807 M874 P875 E876 L880A806-F878 HydrophobicContact CB-CD2 4.36Å; L807-F878 WeakPolarHBondContact CB-O 3.25Å; L807-F878 HydrophobicContact CD1-CD1 4.06Å; L807-F878 HydrophobicContact CD1-CE1 3.48Å; L807-F878 VanDerWaalsContact CD1-CE1 3.48Å; L807-F878 HydrophobicContact CD1-CZ 4.09Å; L807-F878 PolarHBondContact N-O 3.45Å; L807-F878 VanDerWaalsContact N-O 3.1Å; M874-F878 PolarHBondContact O-N 3.3Å; P875-F878 PolarHBondContact O-N 2.81Å; E876-F878 VanDerWaalsContact C-N 3.26Å; E876-F878 PolarHBondContact O-N 2.66Å; F878-L880 HydrophobicContact CD1-CD1 4.16Å; F878-L880 HydrophobicContact CD1-CG 4.27Å
879G80.7Confident71.8Confident7 Ų772.7 Ų72.77%0.07240%0.395CS..THydrogen-bonded Turntrans116.918.1176.900000115.3N805 P875 E876N805-G879 WeakPolarHBondContact ND2-CA 3.38Å; P875-G879 PolarHBondContact O-N 2.91Å; E876-G879 WeakPolarHBondContact O-CA 3.29Å; E876-G879 PolarHBondContact O-N 2.95Å; E876-G879 VanDerWaalsContact O-N 3.1Å
880L82.8Confident72.7Confident38 Ų3872.2 Ų72.220%0.19939%0.394CS..  trans-106.5102.9176.1-63.7174.4000109.6K844 Y847 P875 F878K844-L880 HydrophobicContact CG-CD2 4.34Å; Y847-L880 HydrophobicContact CD1-CB 4.38Å; Y847-L880 HydrophobicContact CE1-CB 4.41Å; P875-L880 CarbonylContact C-O 3.53Å; P875-L880 PolarHBondContact O-N 3.34Å; F878-L880 HydrophobicContact CD1-CD1 4.16Å; F878-L880 HydrophobicContact CD1-CG 4.27Å
881K78.2Confident73.8Confident110 Ų11078.7 Ų78.748%0.47841%0.408SS..  trans-118.7132.7179.1-174.9171.3-173.9153.10109.8Q848 E876Q848-K881 PolarHBondContact NE2-O 3.44Å; E876-K881 IonicContact OE1-NZ 3.15Å; E876-K881 PolarHBondContact OE1-NZ 2.89Å
882K78.5Confident74.6Confident46 Ų4672.4 Ų72.420%0.237%0.373CS..PPolyproline II helixtrans-81.3122170.8-141.2173.6-174.5-177.90106.5Y847 L849 V852 E854Y847-K882 HydrophobicContact CD1-CB 4.48Å; Y847-K882 HydrophobicContact CE1-CB 4.01Å; Y847-K882 HydrophobicContact CE1-CG 4.44Å; L849-K882 PolarHBondContact O-NZ 3.46Å; V852-K882 PolarHBondContact O-NZ 3.37Å; E854-K882 HydrophobicContact CG-CB 4.38Å; E854-K882 HydrophobicContact CG-CD 4.41Å
883E72.1Confident75.5Confident85 Ų8569.2 Ų69.240%0.39736%0.357SS..PPolyproline II helixtrans-82153.5-177.1-76.3-95.7176.400109.8Q848 T887Q848-E883 VanDerWaalsContact OE1-N 3.16Å; E883-T887 VanDerWaalsContact CB-OG1 3.28Å; E883-T887 WeakPolarHBondContact CB-OG1 3.4Å
884V66.2Low76.2Confident121 Ų12174.5 Ų74.573%0.73338%0.377SS*.PPolyproline II helixtrans-65.3142.4-179.3-177.50000109.8G886 T887V884-G886 PolarHBondContact O-N 3.02Å; V884-T887 PolarHBondContact O-N 2.67Å
885E58.9Low76.5Confident197 Ų19772 Ų7292%0.92137%0.371SS*.THydrogen-bonded Turntrans-43.5115.7175.5-76-179.5157.600111.2
886G60.4Low76.9Confident82 Ų8271.4 Ų71.485%0.84537%0.367SS*.THydrogen-bonded Turntrans120.9-14.717400000116.7V884V884-G886 PolarHBondContact O-N 3.02Å
887T64.2Low77.4Confident70 Ų7068.9 Ų68.943%0.42936%0.356SS..  trans-80.9125.2174.456.40000111.5E883 V884E883-T887 VanDerWaalsContact CB-OG1 3.28Å; E883-T887 WeakPolarHBondContact CB-OG1 3.4Å; V884-T887 PolarHBondContact O-N 2.67Å
888E68.8Low77.7Confident88 Ų8868.7 Ų68.741%0.41136%0.361SS..  trans-64.5138.2177.9-65.5-177.4-171.400111.6I890 Y891E888-I890 HydrophobicContact CB-CG2 3.98Å; E888-I890 PolarHBondContact O-N 3.35Å; E888-Y891 HydrophobicContact CB-CD2 4.17Å; E888-Y891 HydrophobicContact CB-CE2 4.22Å; E888-Y891 PolarHBondContact O-N 3.29Å; E888-Y891 VanDerWaalsContact O-N 3.16Å
889P73.8Confident77.9Confident23 Ų2364.7 Ų64.715%0.14934%0.343CS..Hα-helixtrans-51.7-24.2179.4-24.627.3000114.9T609 Y891 M892 L893T609-P889 VanDerWaalsContact O-CD 3.28Å; T609-P889 WeakPolarHBondContact O-CD 3.49Å; T609-P889 WeakPolarHBondContact O-CG 3.31Å; P889-Y891 VanDerWaalsContact C-N 3.29Å; P889-Y891 PolarHBondContact O-N 2.85Å; P889-M892 PolarHBondContact O-N 3.4Å; P889-L893 PolarHBondContact O-N 3.04Å
890I79.1Confident78.3Confident53 Ų5364.4 Ų64.427%0.27234%0.34SS..Hα-helixtrans-61-35.1-178.1-160.8166.4000112.8E888 L893 F894E888-I890 HydrophobicContact CB-CG2 3.98Å; E888-I890 PolarHBondContact O-N 3.35Å; I890-L893 PolarHBondContact O-N 3.43Å; I890-F894 WeakPolarHBondContact O-CA 3.4Å; I890-F894 WeakPolarHBondContact O-CB 3.27Å; I890-F894 PolarHBondContact O-N 2.95Å
891Y81.3Confident78.5Confident178 Ų17866.6 Ų66.670%0.69835%0.352SS*.Hα-helixtrans-71.5-42.4-178.4-66.1-73.4000111.6E888 P889 L893 F894E888-Y891 HydrophobicContact CB-CD2 4.17Å; E888-Y891 HydrophobicContact CB-CE2 4.22Å; E888-Y891 PolarHBondContact O-N 3.29Å; E888-Y891 VanDerWaalsContact O-N 3.16Å; P889-Y891 VanDerWaalsContact C-N 3.29Å; P889-Y891 PolarHBondContact O-N 2.85Å; Y891-L893 VanDerWaalsContact C-N 3.28Å; Y891-L893 PolarHBondContact O-N 3.49Å; Y891-F894 PolarHBondContact O-N 3.14Å
892M80.1Confident79Confident35 Ų3562 Ų6217%0.17233%0.334CS..Hα-helixtrans-61.9-36.5176.8-168.6-155.3-16900112.2K844 Q848 P889K844-M892 HydrophobicContact CB-CE 3.66Å; K844-M892 HydrophobicContact CB-SD 3.94Å; K844-M892 HydrophobicContact CD-CE 3.76Å; K844-M892 HydrophobicContact CD-SD 4.33Å; K844-M892 HydrophobicContact CG-CE 3.62Å; K844-M892 HydrophobicContact CG-SD 4.41Å; Q848-M892 HydrophobicContact CG-SD 4.22Å; Q848-M892 VanDerWaalsContact NE2-CE 3.32Å; Q848-M892 PolarHBondContact NE2-SD 2.98Å; Q848-M892 VanDerWaalsContact NE2-SD 3.44Å; P889-M892 PolarHBondContact O-N 3.4Å
893L84.8Confident79.5Confident1 Ų160 Ų601%0.00533%0.325CS..Hα-helixtrans-97.1-6.1-175-66171.9000114F621 A841 K844 M845 P889 I890 Y891 G895 V896 I897F621-L893 HydrophobicContact CE2-CD1 4.47Å; F621-L893 HydrophobicContact CZ-CD1 4.36Å; A841-L893 HydrophobicContact CB-CD2 3.94Å; K844-L893 HydrophobicContact CB-CD2 4.1Å; K844-L893 HydrophobicContact CD-CD2 4.48Å; M845-L893 HydrophobicContact CG-CD1 3.62Å; M845-L893 HydrophobicContact SD-CD1 3.91Å; P889-L893 PolarHBondContact O-N 3.04Å; I890-L893 PolarHBondContact O-N 3.43Å; Y891-L893 VanDerWaalsContact C-N 3.28Å; Y891-L893 PolarHBondContact O-N 3.49Å; L893-G895 PolarHBondContact O-N 2.99Å; L893-V896 WeakPolarHBondContact O-CB 3.37Å; L893-V896 PolarHBondContact O-N 3.46Å; L893-I897 HydrophobicContact CB-CD1 3.78Å; L893-I897 HydrophobicContact CB-CG1 4.16Å; L893-I897 WeakPolarHBondContact O-CG1 3.47Å; L893-I897 PolarHBondContact O-N 3.29Å
894F86.6Confident80.2Confident130 Ų13056.3 Ų56.357%0.5731%0.31SS*.Hα-helixtrans-54.2-53-168.9-177.5-103.5000113.4I890 Y891 V896 I897 V898I890-F894 WeakPolarHBondContact O-CA 3.4Å; I890-F894 WeakPolarHBondContact O-CB 3.27Å; I890-F894 PolarHBondContact O-N 2.95Å; Y891-F894 PolarHBondContact O-N 3.14Å; F894-V896 VanDerWaalsContact C-N 3.26Å; F894-V896 PolarHBondContact O-N 3.42Å; F894-I897 PolarHBondContact O-N 3.45Å; F894-V898 HydrophobicContact CD1-CG2 4.34Å; F894-V898 HydrophobicContact CD2-CG2 4.44Å; F894-V898 HydrophobicContact CE1-CG2 3.97Å; F894-V898 HydrophobicContact CE2-CG2 4.08Å; F894-V898 HydrophobicContact CZ-CG2 3.84Å; F894-V898 WeakPolarHBondContact O-CG2 3.42Å; F894-V898 PolarHBondContact O-N 2.68Å
895G84.3Confident81.2Confident23 Ų2353.9 Ų53.924%0.23729%0.289CS..Hα-helixtrans-62.7-31.9-179.900000113.5L893 S899L893-G895 PolarHBondContact O-N 2.99Å; G895-S899 WeakPolarHBondContact O-CB 3.39Å; G895-S899 PolarHBondContact O-N 3.22Å; G895-S899 VanDerWaalsContact O-N 3.12Å; G895-S899 PolarHBondContact O-OG 3.41Å
896V88.4Confident82.7Confident2 Ų244.6 Ų44.61%0.01225%0.246CC..Hα-helixtrans-73-46.5176.4-177.60000110.4F799 L837 A841 L893 F894 V898 S899 I900F799-V896 HydrophobicContact CE2-CG2 4.24Å; F799-V896 HydrophobicContact CZ-CG2 3.68Å; L837-V896 HydrophobicContact CB-CG1 4.11Å; L837-V896 HydrophobicContact CD2-CG1 4.2Å; L837-V896 WeakPolarHBondContact O-CG1 3.2Å; A841-V896 HydrophobicContact CB-CG1 4.03Å; L893-V896 WeakPolarHBondContact O-CB 3.37Å; L893-V896 PolarHBondContact O-N 3.46Å; F894-V896 VanDerWaalsContact C-N 3.26Å; F894-V896 PolarHBondContact O-N 3.42Å; V896-V898 PolarHBondContact O-N 2.86Å; V896-S899 PolarHBondContact O-N 3.22Å; V896-I900 HydrophobicContact CG1-CD1 3.82Å; V896-I900 WeakPolarHBondContact O-CD1 3.47Å; V896-I900 VanDerWaalsContact O-CG1 3.28Å; V896-I900 WeakPolarHBondContact O-CG1 3.35Å; V896-I900 PolarHBondContact O-N 3.01Å
897I88Confident83.8Confident12 Ų1241.2 Ų41.26%0.06221%0.209CC..Hα-helixtrans-59.5-44.4176.5-68.1168.2000110.7L605 W624 L893 F894 I900 I901L605-I897 HydrophobicContact CD2-CG2 4.46Å; W624-I897 HydrophobicContact CH2-CG2 4.23Å; L893-I897 HydrophobicContact CB-CD1 3.78Å; L893-I897 HydrophobicContact CB-CG1 4.16Å; L893-I897 WeakPolarHBondContact O-CG1 3.47Å; L893-I897 PolarHBondContact O-N 3.29Å; F894-I897 PolarHBondContact O-N 3.45Å; I897-I900 PolarHBondContact O-N 2.94Å; I897-I901 HydrophobicContact CG2-CD1 3.77Å; I897-I901 HydrophobicContact CG2-CG1 4.42Å; I897-I901 VanDerWaalsContact O-CG1 3.3Å; I897-I901 WeakPolarHBondContact O-CG1 3.18Å; I897-I901 PolarHBondContact O-N 3.01Å
898V88.7Confident84.8Confident55 Ų5540.8 Ų40.833%0.33320%0.204SC..Hα-helixtrans-62.6-44.1177.4171.40000111.3I795 F894 V896 I900 I901 A902I795-V898 HydrophobicContact CG2-CG1 4.34Å; F894-V898 HydrophobicContact CD1-CG2 4.34Å; F894-V898 HydrophobicContact CD2-CG2 4.44Å; F894-V898 HydrophobicContact CE1-CG2 3.97Å; F894-V898 HydrophobicContact CE2-CG2 4.08Å; F894-V898 HydrophobicContact CZ-CG2 3.84Å; F894-V898 WeakPolarHBondContact O-CG2 3.42Å; F894-V898 PolarHBondContact O-N 2.68Å; V896-V898 PolarHBondContact O-N 2.86Å; V898-I900 VanDerWaalsContact C-N 3.34Å; V898-I900 PolarHBondContact O-N 3.49Å; V898-I901 PolarHBondContact O-N 3.23Å; V898-A902 WeakPolarHBondContact O-CB 3.28Å; V898-A902 PolarHBondContact O-N 3.46Å
899S89.6Confident85.7Confident2 Ų236.6 Ų36.61%0.01418%0.184CC..Hα-helixtrans-62.7-40.1177-61.40000111.9G895 V896 A902 L903G895-S899 WeakPolarHBondContact O-CB 3.39Å; G895-S899 PolarHBondContact O-N 3.22Å; G895-S899 VanDerWaalsContact O-N 3.12Å; G895-S899 PolarHBondContact O-OG 3.41Å; V896-S899 PolarHBondContact O-N 3.22Å; S899-A902 PolarHBondContact O-N 2.91Å; S899-L903 WeakPolarHBondContact O-CB 3.38Å; S899-L903 WeakPolarHBondContact O-CG 3.42Å; S899-L903 PolarHBondContact O-N 3.25Å
900I88.6Confident86.2Confident1 Ų137.7 Ų37.71%0.00519%0.188CC..Hα-helixtrans-64.2-46.2175.1-71.1161.6000111.2L628 L837 F838 V896 I897 V898 A902 L903 A904L628-I900 HydrophobicContact CD1-CG2 3.95Å; L837-I900 HydrophobicContact CB-CD1 4.32Å; L837-I900 HydrophobicContact CB-CG1 4.01Å; F838-I900 HydrophobicContact CD1-CD1 3.55Å; F838-I900 HydrophobicContact CD1-CG1 4.25Å; F838-I900 HydrophobicContact CD1-CG2 4.43Å; F838-I900 HydrophobicContact CE1-CB 4.38Å; F838-I900 HydrophobicContact CE1-CD1 3.62Å; F838-I900 HydrophobicContact CE1-CG1 4.05Å; F838-I900 HydrophobicContact CE1-CG2 3.44Å; F838-I900 VanDerWaalsContact CE1-CG2 3.44Å; F838-I900 HydrophobicContact CE2-CG2 4.38Å; F838-I900 HydrophobicContact CG-CD1 4.35Å; F838-I900 HydrophobicContact CZ-CD1 4.45Å; F838-I900 HydrophobicContact CZ-CG1 4.42Å; F838-I900 HydrophobicContact CZ-CG2 3.4Å; F838-I900 VanDerWaalsContact CZ-CG2 3.4Å; V896-I900 HydrophobicContact CG1-CD1 3.82Å; V896-I900 WeakPolarHBondContact O-CD1 3.47Å; V896-I900 VanDerWaalsContact O-CG1 3.28Å; V896-I900 WeakPolarHBondContact O-CG1 3.35Å; V896-I900 PolarHBondContact O-N 3.01Å; I897-I900 PolarHBondContact O-N 2.94Å; V898-I900 VanDerWaalsContact C-N 3.34Å; V898-I900 PolarHBondContact O-N 3.49Å; I900-A902 VanDerWaalsContact C-N 3.33Å; I900-A902 PolarHBondContact O-N 3.44Å; I900-L903 PolarHBondContact O-N 3.25Å; I900-A904 WeakPolarHBondContact O-CB 3.13Å; I900-A904 PolarHBondContact O-N 2.93Å
901I88Confident86.3Confident85 Ų8539.7 Ų39.744%0.43619%0.193SC..Hα-helixtrans-62.9-41.2177.5-68.9169.1000110.5I897 V898 A904 F905I897-I901 HydrophobicContact CG2-CD1 3.77Å; I897-I901 HydrophobicContact CG2-CG1 4.42Å; I897-I901 VanDerWaalsContact O-CG1 3.3Å; I897-I901 WeakPolarHBondContact O-CG1 3.18Å; I897-I901 PolarHBondContact O-N 3.01Å; V898-I901 PolarHBondContact O-N 3.23Å; I901-A904 PolarHBondContact O-N 3.28Å; I901-F905 VanDerWaalsContact O-CB 3.32Å; I901-F905 WeakPolarHBondContact O-CB 3.39Å; I901-F905 PolarHBondContact O-N 3.39Å
902A89.2Confident86.4Confident14 Ų1434.7 Ų34.712%0.11617%0.173CC..Hα-helixtrans-63.1-43.6177.500000111.8V792 I795 V898 S899 I900 F905 Q906V792-A902 HydrophobicContact CG2-CB 4.36Å; I795-A902 HydrophobicContact CD1-CB 4.04Å; V898-A902 WeakPolarHBondContact O-CB 3.28Å; V898-A902 PolarHBondContact O-N 3.46Å; S899-A902 PolarHBondContact O-N 2.91Å; I900-A902 VanDerWaalsContact C-N 3.33Å; I900-A902 PolarHBondContact O-N 3.44Å; A902-F905 PolarHBondContact O-N 3.24Å; A902-Q906 PolarHBondContact O-N 3.48Å
903L89.4Confident86.7Confident3 Ų333.2 Ų33.22%0.01617%0.166CC..Hα-helixtrans-62.9-43.1173.7-73.6166.2000111.5K632 V792 M833 C834 L837 S899 I900 Q906 S907K632-L903 VanDerWaalsContact CE-C 3.41Å; K632-L903 WeakPolarHBondContact CE-O 3.21Å; K632-L903 PolarHBondContact NZ-O 2.99Å; V792-L903 HydrophobicContact CG1-CD2 3.77Å; V792-L903 HydrophobicContact CG1-CG 4.28Å; M833-L903 HydrophobicContact CB-CD1 4.25Å; C834-L903 HydrophobicContact CB-CD1 3.93Å; L837-L903 HydrophobicContact CD1-CD1 3.94Å; S899-L903 WeakPolarHBondContact O-CB 3.38Å; S899-L903 WeakPolarHBondContact O-CG 3.42Å; S899-L903 PolarHBondContact O-N 3.25Å; I900-L903 PolarHBondContact O-N 3.25Å; L903-Q906 WeakPolarHBondContact O-CB 3.42Å; L903-Q906 PolarHBondContact O-N 3.35Å; L903-S907 PolarHBondContact O-N 3.36Å
904A85.6Confident86.6Confident8 Ų840.4 Ų40.47%0.06619%0.193CC..Hα-helixtrans-64.1-40.3175.700000111.9I900 I901 S907 I908I900-A904 WeakPolarHBondContact O-CB 3.13Å; I900-A904 PolarHBondContact O-N 2.93Å; I901-A904 PolarHBondContact O-N 3.28Å; A904-S907 PolarHBondContact O-N 3.44Å; A904-S907 PolarHBondContact O-OG 3.11Å; A904-I908 WeakPolarHBondContact O-CG1 3.48Å; A904-I908 PolarHBondContact O-N 2.92Å
905F87.9Confident86.2Confident69 Ų6939.6 Ų39.630%0.30319%0.19SC..Hα-helixtrans-65.2-39.4176.8-171.3-108.6000112.2W781 F784 I788 I901 A902 S907 I908 V909W781-F905 HydrophobicContact CH2-CE2 4.35Å; W781-F905 HydrophobicContact CH2-CZ 4.43Å; W781-F905 HydrophobicContact CZ3-CE2 4.46Å; W781-F905 HydrophobicContact CZ3-CZ 4.24Å; F784-F905 HydrophobicContact CD2-CE1 4.38Å; F784-F905 HydrophobicContact CD2-CZ 4.47Å; F784-F905 HydrophobicContact CE2-CE1 4.34Å; F784-F905 HydrophobicContact CE2-CZ 4.35Å; I788-F905 HydrophobicContact CD1-CD1 3.95Å; I788-F905 HydrophobicContact CD1-CE1 4.26Å; I901-F905 VanDerWaalsContact O-CB 3.32Å; I901-F905 WeakPolarHBondContact O-CB 3.39Å; I901-F905 PolarHBondContact O-N 3.39Å; A902-F905 PolarHBondContact O-N 3.24Å; F905-S907 VanDerWaalsContact C-N 3.26Å; F905-S907 PolarHBondContact O-N 2.97Å; F905-I908 PolarHBondContact O-N 3.15Å; F905-V909 HydrophobicContact CD1-CG2 3.88Å; F905-V909 HydrophobicContact CE1-CG2 3.54Å; F905-V909 HydrophobicContact CE2-CG2 4.35Å; F905-V909 HydrophobicContact CG-CG2 4.41Å; F905-V909 HydrophobicContact CZ-CG2 3.8Å; F905-V909 WeakPolarHBondContact O-CG2 3.47Å; F905-V909 PolarHBondContact O-N 3.01Å
906Q89.5Confident86Confident3 Ų341.9 Ų41.91%0.01419%0.192CC..Hα-helixtrans-52.7-45.5171.2-176-169.15.600111.2I788 V792 D826 A902 L903 I910I788-Q906 HydrophobicContact CG1-CB 4.06Å; I788-Q906 HydrophobicContact CG1-CG 4.19Å; I788-Q906 HydrophobicContact CG2-CG 4.22Å; V792-Q906 HydrophobicContact CG2-CB 4.24Å; D826-Q906 PolarHBondContact OD1-NE2 2.95Å; A902-Q906 PolarHBondContact O-N 3.48Å; L903-Q906 WeakPolarHBondContact O-CB 3.42Å; L903-Q906 PolarHBondContact O-N 3.35Å; Q906-I910 HydrophobicContact CG-CD1 4.06Å; Q906-I910 VanDerWaalsContact O-CG1 3.3Å; Q906-I910 WeakPolarHBondContact O-CG1 3.27Å; Q906-I910 PolarHBondContact O-N 2.91Å
907S84.4Confident85.7Confident11 Ų1143.6 Ų43.68%0.07720%0.199CC..Hα-helixtrans-66.8-39.6175.845.80000113K632 L903 A904 F905 V909 I910 Y911K632-S907 WeakPolarHBondContact CE-OG 3.41Å; L903-S907 PolarHBondContact O-N 3.36Å; A904-S907 PolarHBondContact O-N 3.44Å; A904-S907 PolarHBondContact O-OG 3.11Å; F905-S907 VanDerWaalsContact C-N 3.26Å; F905-S907 PolarHBondContact O-N 2.97Å; S907-V909 PolarHBondContact O-N 3.2Å; S907-I910 PolarHBondContact O-N 2.74Å; S907-Y911 WeakPolarHBondContact O-CB 3.08Å; S907-Y911 WeakPolarHBondContact O-CD2 3.32Å; S907-Y911 PolarHBondContact O-N 2.65Å
908I85.6Confident85.2Confident60 Ų6047 Ų4731%0.30823%0.228SC..Hα-helixtrans-62.2-44.5178-66.5166.5000111.2L631 A904 F905 Y911 R912L631-I908 HydrophobicContact CD2-CD1 4.27Å; L631-I908 HydrophobicContact CD2-CG1 4.38Å; A904-I908 WeakPolarHBondContact O-CG1 3.48Å; A904-I908 PolarHBondContact O-N 2.92Å; F905-I908 PolarHBondContact O-N 3.15Å; I908-Y911 PolarHBondContact O-N 3.27Å; I908-R912 WeakPolarHBondContact O-CB 3.43Å; I908-R912 PolarHBondContact O-N 2.72Å
909V87.3Confident84.6Confident0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-59.4-50.1177.8173.30000110.3W781 F784 F905 S907 R912 Q913W781-V909 HydrophobicContact CE3-CB 4.37Å; W781-V909 HydrophobicContact CE3-CG1 4.21Å; W781-V909 HydrophobicContact CE3-CG2 4.02Å; W781-V909 HydrophobicContact CZ3-CB 4.17Å; W781-V909 HydrophobicContact CZ3-CG2 3.6Å; F784-V909 HydrophobicContact CB-CG1 4.07Å; F784-V909 HydrophobicContact CB-CG2 4.39Å; F905-V909 HydrophobicContact CD1-CG2 3.88Å; F905-V909 HydrophobicContact CE1-CG2 3.54Å; F905-V909 HydrophobicContact CE2-CG2 4.35Å; F905-V909 HydrophobicContact CG-CG2 4.41Å; F905-V909 HydrophobicContact CZ-CG2 3.8Å; F905-V909 WeakPolarHBondContact O-CG2 3.47Å; F905-V909 PolarHBondContact O-N 3.01Å; S907-V909 PolarHBondContact O-N 3.2Å; V909-R912 PolarHBondContact O-N 2.81Å; V909-Q913 WeakPolarHBondContact O-CB 3.27Å; V909-Q913 PolarHBondContact O-N 3.35Å
910I83.1Confident84.1Confident46 Ų4652.6 Ų52.624%0.23626%0.262CS..Hα-helixtrans-64.9-43.6-178.9-65.7170000110.7Q906 S907 Q913 R914Q906-I910 HydrophobicContact CG-CD1 4.06Å; Q906-I910 VanDerWaalsContact O-CG1 3.3Å; Q906-I910 WeakPolarHBondContact O-CG1 3.27Å; Q906-I910 PolarHBondContact O-N 2.91Å; S907-I910 PolarHBondContact O-N 2.74Å; I910-Q913 PolarHBondContact O-N 3.5Å; I910-R914 VanDerWaalsContact O-CB 3.29Å; I910-R914 WeakPolarHBondContact O-CB 3.43Å; I910-R914 PolarHBondContact O-N 3.47Å
911Y82Confident83.5Confident95 Ų9555.9 Ų55.937%0.37330%0.296SS..Hα-helixtrans-66.5-42.6178.2-77.4-56.1000112.8S907 I908 R914 H915S907-Y911 WeakPolarHBondContact O-CB 3.08Å; S907-Y911 WeakPolarHBondContact O-CD2 3.32Å; S907-Y911 PolarHBondContact O-N 2.65Å; I908-Y911 PolarHBondContact O-N 3.27Å; Y911-R914 PolarHBondContact O-N 3.28Å; Y911-H915 WeakPolarHBondContact O-CB 3.3Å; Y911-H915 PolarHBondContact O-N 3.21Å
912R84.5Confident83Confident74 Ų7455.2 Ų55.228%0.27929%0.293SS..Hα-helixtrans-60-49.4175.8-178.1-166.8-178.6-93.73.1110.5E778 W781 I908 V909 H915 Y916E778-R912 IonicContact OE1-CZ 3.71Å; E778-R912 IonicContact OE1-NH1 3.04Å; E778-R912 PolarHBondContact OE1-NH1 3.47Å; E778-R912 IonicContact OE1-NH2 2.65Å; E778-R912 PolarHBondContact OE1-NH2 3.42Å; E778-R912 IonicContact OE2-CZ 2.78Å; E778-R912 IonicContact OE2-NH1 3.6Å; E778-R912 PolarHBondContact OE2-NH1 3.04Å; E778-R912 VanDerWaalsContact OE2-NH1 3.11Å; E778-R912 IonicContact OE2-NH2 2.65Å; W781-R912 VanDerWaalsContact CE2-CD 3.46Å; I908-R912 WeakPolarHBondContact O-CB 3.43Å; I908-R912 PolarHBondContact O-N 2.72Å; V909-R912 PolarHBondContact O-N 2.81Å; R912-H915 PolarHBondContact O-N 3.29Å; R912-Y916 WeakPolarHBondContact O-CB 3.26Å; R912-Y916 PolarHBondContact O-N 3.45Å
913Q84.6Confident82.5Confident4 Ų457.9 Ų57.92%0.01931%0.309CS..Hα-helixtrans-68.1-36.7-177.8-75.8-57.6-27.500112.2V909 I910 Y916 R917V909-Q913 WeakPolarHBondContact O-CB 3.27Å; V909-Q913 PolarHBondContact O-N 3.35Å; I910-Q913 PolarHBondContact O-N 3.5Å; Q913-Y916 PolarHBondContact O-N 2.85Å; Q913-R917 WeakPolarHBondContact O-CB 2.92Å; Q913-R917 WeakPolarHBondContact O-CG 3.48Å; Q913-R917 PolarHBondContact O-N 3.49Å
914R83Confident81.6Confident151 Ų15164.7 Ų64.757%0.5734%0.341SS*.Hα-helixtrans-62.5-43.5171.1-173.8178.5-85.2171.3-6.5111.7I910 Y911 A918I910-R914 VanDerWaalsContact O-CB 3.29Å; I910-R914 WeakPolarHBondContact O-CB 3.43Å; I910-R914 PolarHBondContact O-N 3.47Å; Y911-R914 PolarHBondContact O-N 3.28Å; R914-A918 VanDerWaalsContact O-CB 3.28Å; R914-A918 WeakPolarHBondContact O-CB 3.3Å; R914-A918 PolarHBondContact O-N 3.15Å
915H79Confident80.9Confident113 Ų11369.3 Ų69.352%0.52337%0.373SS..Hα-helixtrans-64.7-42.1175.1-178.9-83.2000111.9Y911 R912 A918 S919Y911-H915 WeakPolarHBondContact O-CB 3.3Å; Y911-H915 PolarHBondContact O-N 3.21Å; R912-H915 PolarHBondContact O-N 3.29Å; H915-A918 PolarHBondContact O-N 3.04Å; H915-S919 WeakPolarHBondContact O-CB 3.39Å; H915-S919 PolarHBondContact O-N 3.22Å; H915-S919 PolarHBondContact O-OG 3.26Å
916Y80.2Confident80.1Confident71 Ų7168.9 Ų68.928%0.27837%0.372SS..Hα-helixtrans-61.8-48.1178.3-176-105.9000111.4R912 Q913 S919 L920R912-Y916 WeakPolarHBondContact O-CB 3.26Å; R912-Y916 PolarHBondContact O-N 3.45Å; Q913-Y916 PolarHBondContact O-N 2.85Å; Y916-S919 PolarHBondContact O-N 3.11Å; Y916-S919 PolarHBondContact O-OG 3.15Å; Y916-L920 HydrophobicContact CD1-CD1 4.08Å; Y916-L920 HydrophobicContact CD2-CD1 4.17Å; Y916-L920 HydrophobicContact CE1-CD1 3.52Å; Y916-L920 HydrophobicContact CE2-CD1 3.63Å; Y916-L920 HydrophobicContact CG-CD1 4.37Å; Y916-L920 PolarHBondContact O-N 2.9Å; Y916-L920 WeakPolarHBondContact OH-CD1 3.42Å
917R81.7Confident79.3Confident39 Ų3974.4 Ų74.415%0.14739%0.393CS..Hα-helixtrans-62.3-42.2173.7-71.4-174.6-174.8122.112.9112.8E785 Q913 S919 L920 G921 L922E785-R917 IonicContact OE1-CZ 2.59Å; E785-R917 IonicContact OE1-NH1 3.27Å; E785-R917 PolarHBondContact OE1-NH1 3.47Å; E785-R917 IonicContact OE1-NH2 3.19Å; E785-R917 PolarHBondContact OE1-NH2 2.88Å; E785-R917 IonicContact OE2-CZ 3.73Å; E785-R917 IonicContact OE2-NH1 2.63Å; E785-R917 IonicContact OE2-NH2 2.61Å; E785-R917 PolarHBondContact OE2-NH2 2.89Å; Q913-R917 WeakPolarHBondContact O-CB 2.92Å; Q913-R917 WeakPolarHBondContact O-CG 3.48Å; Q913-R917 PolarHBondContact O-N 3.49Å; R917-S919 VanDerWaalsContact C-N 3.3Å; R917-S919 PolarHBondContact O-N 3.21Å; R917-L920 CarbonylContact O-C 3.48Å; R917-L920 PolarHBondContact O-N 3.04Å; R917-G921 WeakPolarHBondContact O-CA 3.28Å; R917-G921 PolarHBondContact O-N 3.42Å; R917-L922 HydrophobicContact CG-CB 4.3Å; R917-L922 PolarHBondContact O-N 3.49Å
918A77.9Confident78.8Confident82 Ų8277.4 Ų77.468%0.67842%0.418SS*.Hα-helixtrans-64.2-35.6177.700000112.1R914 H915 L920R914-A918 VanDerWaalsContact O-CB 3.28Å; R914-A918 WeakPolarHBondContact O-CB 3.3Å; R914-A918 PolarHBondContact O-N 3.15Å; H915-A918 PolarHBondContact O-N 3.04Å; A918-L920 VanDerWaalsContact C-N 3.32Å; A918-L920 PolarHBondContact O-N 3.31Å
919S75.9Confident78.5Confident78 Ų7879 Ų7955%0.54542%0.423SS..Hα-helixtrans-72.8-20.5175.967.60000114.2H915 Y916 R917H915-S919 WeakPolarHBondContact O-CB 3.39Å; H915-S919 PolarHBondContact O-N 3.22Å; H915-S919 PolarHBondContact O-OG 3.26Å; Y916-S919 PolarHBondContact O-N 3.11Å; Y916-S919 PolarHBondContact O-OG 3.15Å; R917-S919 VanDerWaalsContact C-N 3.3Å; R917-S919 PolarHBondContact O-N 3.21Å
920L79.3Confident78.2Confident98 Ų9879.3 Ų79.351%0.51343%0.425SS..Hα-helixtrans-113.4-11.3-177-69.4174.6000115.1Y916 R917 A918 L922Y916-L920 HydrophobicContact CD1-CD1 4.08Å; Y916-L920 HydrophobicContact CD2-CD1 4.17Å; Y916-L920 HydrophobicContact CE1-CD1 3.52Å; Y916-L920 HydrophobicContact CE2-CD1 3.63Å; Y916-L920 HydrophobicContact CG-CD1 4.37Å; Y916-L920 PolarHBondContact O-N 2.9Å; Y916-L920 WeakPolarHBondContact OH-CD1 3.42Å; R917-L920 CarbonylContact O-C 3.48Å; R917-L920 PolarHBondContact O-N 3.04Å; A918-L920 VanDerWaalsContact C-N 3.32Å; A918-L920 PolarHBondContact O-N 3.31Å; L920-L922 HydrophobicContact CB-CD1 4.29Å; L920-L922 HydrophobicContact CB-CG 4.22Å; L920-L922 HydrophobicContact CD1-CD1 4.32Å
921G75.3Confident78.3Confident70 Ų7079.2 Ų79.272%0.72242%0.423SS*.THydrogen-bonded Turntrans73.929.2-179.100000116.5R917R917-G921 WeakPolarHBondContact O-CA 3.28Å; R917-G921 PolarHBondContact O-N 3.42Å
922L78.7Confident77.8Confident70 Ų7076.4 Ų76.437%0.36642%0.417SS..  trans-87.4144.8-176.4-63.7169.1000113.9R917 L920 M926R917-L922 HydrophobicContact CG-CB 4.3Å; R917-L922 PolarHBondContact O-N 3.49Å; L920-L922 HydrophobicContact CB-CD1 4.29Å; L920-L922 HydrophobicContact CB-CG 4.22Å; L920-L922 HydrophobicContact CD1-CD1 4.32Å; L922-M926 HydrophobicContact CB-CE 4.28Å; L922-M926 HydrophobicContact CD2-CE 4.15Å
923P77.8Confident77.5Confident71 Ų7180.6 Ų80.646%0.46144%0.444SS..  trans-73.1153-178.428.5-36.5000115.2S925 M926P923-S925 PolarHBondContact O-N 2.85Å; P923-M926 VanDerWaalsContact CD-CE 3.44Å; P923-M926 HydrophobicContact CG-CE 3.51Å
924E71.4Confident77.4Confident146 Ų14681.1 Ų81.168%0.68245%0.447SS*.G310 helixtrans-73.4-19.2-178-68.7-162.4152.300115M926 R927E924-M926 PolarHBondContact O-N 2.87Å; E924-M926 VanDerWaalsContact O-N 3.1Å; E924-R927 WeakPolarHBondContact O-CB 3.22Å; E924-R927 PolarHBondContact O-N 3.31Å; E924-R927 VanDerWaalsContact O-N 3.12Å
925S69.2Low77.1Confident105 Ų10579.1 Ų79.173%0.73444%0.444SS*.G310 helixtrans-63.4-17.6-179.259.20000114.1P923 R927P923-S925 PolarHBondContact O-N 2.85Å; S925-R927 PolarHBondContact O-N 3.47Å
926M71.3Confident77Confident59 Ų5978.5 Ų78.529%0.29144%0.441SS..G310 helixtrans-72.1-3.9175.1-74.5-168.8-107.500114.1L922 P923 E924 A928 P932L922-M926 HydrophobicContact CB-CE 4.28Å; L922-M926 HydrophobicContact CD2-CE 4.15Å; P923-M926 VanDerWaalsContact CD-CE 3.44Å; P923-M926 HydrophobicContact CG-CE 3.51Å; E924-M926 PolarHBondContact O-N 2.87Å; E924-M926 VanDerWaalsContact O-N 3.1Å; M926-A928 VanDerWaalsContact C-N 3.26Å; M926-A928 PolarHBondContact O-N 3.33Å; M926-P932 HydrophobicContact CG-CB 4.17Å; M926-P932 HydrophobicContact SD-CB 3.87Å; M926-P932 HydrophobicContact SD-CG 4.13Å
927R73.5Confident76.9Confident119 Ų11978.6 Ų78.645%0.44945%0.452SS..G310 helixtrans-62-24.2-177.8-171.8176.1-177.8-159.6-4.4114.7E785 V786 D826 E924 S925E785-R927 HydrophobicContact CG-CG 4.48Å; V786-R927 WeakPolarHBondContact CG2-O 3.33Å; D826-R927 IonicContact OD2-CZ 2.66Å; D826-R927 IonicContact OD2-NH2 2.72Å; D826-R927 PolarHBondContact OD2-NH2 3.16Å; E924-R927 WeakPolarHBondContact O-CB 3.22Å; E924-R927 PolarHBondContact O-N 3.31Å; E924-R927 VanDerWaalsContact O-N 3.12Å; S925-R927 PolarHBondContact O-N 3.47Å
928A74.2Confident77Confident74 Ų7479.9 Ų79.961%0.61246%0.46SS*.G310 helixtrans-96.4-8.2-171.400000115.8M926M926-A928 VanDerWaalsContact C-N 3.26Å; M926-A928 PolarHBondContact O-N 3.33Å
929K78.3Confident77.2Confident93 Ų9378.3 Ų78.340%0.40444%0.437SS..  trans-122.2141.9-176.8-66-178.4177.7-179.20110.5
930V82.2Confident77.3Confident8 Ų875.4 Ų75.45%0.04842%0.416CS..SBendtrans-79-41.7175.5-178.80000110.1L779 V786 P932 I951 D952L779-V930 HydrophobicContact CD1-CG1 4.3Å; V786-V930 HydrophobicContact CG2-CG2 4.22Å; V930-P932 VanDerWaalsContact O-CD 3.3Å; V930-P932 WeakPolarHBondContact O-CD 3.28Å; V930-I951 HydrophobicContact CB-CG2 4.41Å; V930-I951 HydrophobicContact CG2-CG2 4.32Å; V930-D952 PolarHBondContact N-OD1 2.94Å; V930-D952 VanDerWaalsContact N-OD1 3.11Å
931F84Confident77.3Confident43 Ų4379.4 Ų79.419%0.18942%0.424CS..  trans-111.890.4178.9-57-79.8000111.4L779 D933 F934 Q948 I951L779-F931 HydrophobicContact CD1-CD1 4.09Å; L779-F931 HydrophobicContact CD1-CE1 3.39Å; L779-F931 HydrophobicContact CD1-CZ 3.91Å; L779-F931 HydrophobicContact CD2-CZ 4.5Å; F931-D933 PolarHBondContact O-N 3.39Å; F931-D933 VanDerWaalsContact O-N 3.15Å; F931-F934 HydrophobicContact CB-CB 4.4Å; F931-F934 PolarHBondContact O-N 2.97Å; F931-Q948 HydrophobicContact CD2-CG 4.19Å; F931-Q948 HydrophobicContact CE2-CG 4.38Å; F931-Q948 HydrophobicContact CG-CG 4.28Å; F931-I951 HydrophobicContact CE2-CB 4.38Å; F931-I951 HydrophobicContact CE2-CD1 3.87Å; F931-I951 HydrophobicContact CE2-CG2 4.15Å; F931-I951 HydrophobicContact CZ-CD1 4.48Å
932P72.6Confident77.5Confident37 Ų3778 Ų7824%0.2440%0.403CS..THydrogen-bonded Turntrans-64-21.2-177.424-32.7000114.1M926 V930M926-P932 HydrophobicContact CG-CB 4.17Å; M926-P932 HydrophobicContact SD-CB 3.87Å; M926-P932 HydrophobicContact SD-CG 4.13Å; V930-P932 VanDerWaalsContact O-CD 3.3Å; V930-P932 WeakPolarHBondContact O-CD 3.28Å
933D78.5Confident77.5Confident161 Ų16180 Ų8086%0.86141%0.413SS*.THydrogen-bonded Turntrans-84-7-174.9-52-32.1000114.5F931F931-D933 PolarHBondContact O-N 3.39Å; F931-D933 VanDerWaalsContact O-N 3.15Å
934F81.3Confident77.8Confident16 Ų1683.3 Ų83.37%0.0742%0.421CS..  trans-94.2135.5-170.5178.3-100.6000114.3F931 H938 F939 N945 Q948 F949 Y953F931-F934 HydrophobicContact CB-CB 4.4Å; F931-F934 PolarHBondContact O-N 2.97Å; F934-H938 HydrophobicContact CE2-CB 4.12Å; F934-F939 HydrophobicContact CZ-CB 4.43Å; F934-N945 HydrophobicContact CE2-CB 3.85Å; F934-N945 WeakPolarHBondContact CE2-O 3.28Å; F934-N945 WeakPolarHBondContact CZ-O 3.07Å; F934-Q948 HydrophobicContact CB-CB 4.46Å; F934-Q948 HydrophobicContact CD1-CB 4.27Å; F934-Q948 HydrophobicContact CD2-CB 3.94Å; F934-Q948 HydrophobicContact CE2-CB 4.33Å; F934-Q948 HydrophobicContact CG-CB 3.93Å; F934-F949 VanDerWaalsContact CE1-CA 3.49Å; F934-F949 HydrophobicContact CE1-CB 3.65Å; F934-F949 HydrophobicContact CE1-CD2 4.14Å; F934-F949 HydrophobicContact CE1-CG 4.41Å; F934-F949 HydrophobicContact CZ-CB 3.68Å; F934-F949 HydrophobicContact CZ-CD2 4.5Å; F934-Y953 HydrophobicContact CD1-CE2 4.39Å; F934-Y953 HydrophobicContact CE1-CE2 4.43Å
935H77.5Confident78.5Confident108 Ų10877.8 Ų77.850%0.540%0.396SS..  trans-118.2141.6177.5-159.7-83.2000112.3S937 H938H935-S937 VanDerWaalsContact C-N 3.3Å; H935-S937 PolarHBondContact ND1-OG 3.33Å; H935-S937 PolarHBondContact O-N 3.34Å; H935-S937 VanDerWaalsContact O-N 3.16Å; H935-H938 PolarHBondContact O-N 3.02Å
936H76Confident79.2Confident101 Ų10174 Ų7447%0.46837%0.371SS..G310 helixtrans-62.7-27.4-16866-121.5000115.1H938 F939 F949H936-H938 PolarHBondContact O-N 2.91Å; H936-F939 WeakPolarHBondContact O-CD1 3.27Å; H936-F939 PolarHBondContact O-N 3.44Å; H936-F949 HydrophobicContact CB-CD2 4.42Å; H936-F949 HydrophobicContact CB-CE2 4.28Å
937S79.1Confident79.8Confident73 Ų7375.5 Ų75.551%0.5138%0.379SS..G310 helixtrans-69.9-14.1-179.2500000113.4H935H935-S937 VanDerWaalsContact C-N 3.3Å; H935-S937 PolarHBondContact ND1-OG 3.33Å; H935-S937 PolarHBondContact O-N 3.34Å; H935-S937 VanDerWaalsContact O-N 3.16Å
938H83.7Confident80.4Confident66 Ų6671.3 Ų71.331%0.30637%0.365SS..G310 helixtrans-89.40.4-177.2-69-113.4000113.6F934 H935 H936 D940 R941 N945F934-H938 HydrophobicContact CE2-CB 4.12Å; H935-H938 PolarHBondContact O-N 3.02Å; H936-H938 PolarHBondContact O-N 2.91Å; H938-D940 VanDerWaalsContact C-N 3.27Å; H938-D940 PolarHBondContact O-N 3.28Å; H938-R941 PolarHBondContact O-N 2.82Å; H938-N945 WeakPolarHBondContact O-CB 3.43Å; H938-N945 PolarHBondContact O-ND2 3.22Å
939F81.3Confident81Confident48 Ų4869.6 Ų69.621%0.21134%0.344CS..THydrogen-bonded Turntrans-62.6-30.9-170.789.8-82.3000113.3F934 H936 F949 Y1279F934-F939 HydrophobicContact CZ-CB 4.43Å; H936-F939 WeakPolarHBondContact O-CD1 3.27Å; H936-F939 PolarHBondContact O-N 3.44Å; F939-F949 HydrophobicContact CB-CB 4.02Å; F939-F949 HydrophobicContact CB-CD2 4.32Å; F939-F949 HydrophobicContact CB-CG 4.05Å; F939-Y1279 VanDerWaalsContact CZ-OH 3.27Å; F939-Y1279 WeakPolarHBondContact CZ-OH 3.46Å
940D77.4Confident81.4Confident18 Ų1870.6 Ų70.610%0.09635%0.353CS..THydrogen-bonded Turntrans-80.9-14.6-177.7-80.3-22.1000115.7H938 K1121H938-D940 VanDerWaalsContact C-N 3.27Å; H938-D940 PolarHBondContact O-N 3.28Å; D940-K1121 WeakPolarHBondContact OD1-CE 3.47Å; D940-K1121 IonicContact OD1-NZ 2.66Å; D940-K1121 PolarHBondContact OD1-NZ 3.34Å; D940-K1121 IonicContact OD2-NZ 2.71Å; D940-K1121 PolarHBondContact OD2-NZ 2.9Å
941R79.8Confident81.5Confident181 Ų18174.2 Ų74.268%0.68337%0.371SS*.THydrogen-bonded Turntrans-73.4-36.9-172.7-65.8-172-179.4-174.11.7113.4H938H938-R941 PolarHBondContact O-N 2.82Å
942S80.7Confident81.6Confident41 Ų4174 Ų7429%0.28737%0.372SS..  trans-153.7156.9-17876.70000112.3K944 N945 A946S942-K944 PolarHBondContact O-N 2.98Å; S942-N945 PolarHBondContact O-N 3.35Å; S942-N945 VanDerWaalsContact O-N 3.13Å; S942-N945 PolarHBondContact OG-N 3.5Å; S942-N945 PolarHBondContact OG-OD1 3.3Å; S942-A946 PolarHBondContact O-N 3.47Å
943L78.6Confident82.2Confident111 Ų11174.6 Ų74.658%0.58137%0.37SS*.Hα-helixtrans-56.6-37.2174.1-168.284.3000112.1N945 A946 I947L943-N945 VanDerWaalsContact C-N 3.34Å; L943-N945 PolarHBondContact O-N 3.47Å; L943-A946 PolarHBondContact O-N 2.93Å; L943-I947 HydrophobicContact CD2-CD1 4.32Å; L943-I947 HydrophobicContact CG-CD1 4.22Å; L943-I947 WeakPolarHBondContact O-CG1 3.43Å; L943-I947 PolarHBondContact O-N 2.87Å
944K83.3Confident82.5Confident142 Ų14267.3 Ų67.362%0.61733%0.333SS*.Hα-helixtrans-59.5-46177.1-178.9-173.3175-172.30111.2S942 A946 I947 Q948S942-K944 PolarHBondContact O-N 2.98Å; K944-A946 VanDerWaalsContact C-N 3.34Å; K944-I947 PolarHBondContact O-N 2.91Å; K944-Q948 WeakPolarHBondContact O-CG 3.31Å; K944-Q948 PolarHBondContact O-N 3Å
945N85.9Confident82.9Confident30 Ų3069.3 Ų69.316%0.1634%0.341CS..Hα-helixtrans-67.6-36.1178.9-67.6-2.8000111.5F934 H938 S942 L943 Q948 F949F934-N945 HydrophobicContact CE2-CB 3.85Å; F934-N945 WeakPolarHBondContact CE2-O 3.28Å; F934-N945 WeakPolarHBondContact CZ-O 3.07Å; H938-N945 WeakPolarHBondContact O-CB 3.43Å; H938-N945 PolarHBondContact O-ND2 3.22Å; S942-N945 PolarHBondContact O-N 3.35Å; S942-N945 VanDerWaalsContact O-N 3.13Å; S942-N945 PolarHBondContact OG-N 3.5Å; S942-N945 PolarHBondContact OG-OD1 3.3Å; L943-N945 VanDerWaalsContact C-N 3.34Å; L943-N945 PolarHBondContact O-N 3.47Å; N945-Q948 PolarHBondContact O-N 3.05Å; N945-F949 WeakPolarHBondContact O-CB 3.46Å; N945-F949 PolarHBondContact O-N 3.07Å
946A83.6Confident83.4Confident26 Ų2666.7 Ų66.722%0.21533%0.327CS..Hα-helixtrans-64-38.9173.800000112.3S942 L943 K944 F949 L950S942-A946 PolarHBondContact O-N 3.47Å; L943-A946 PolarHBondContact O-N 2.93Å; K944-A946 VanDerWaalsContact C-N 3.34Å; A946-F949 WeakPolarHBondContact O-CB 3.43Å; A946-F949 PolarHBondContact O-N 2.99Å; A946-L950 WeakPolarHBondContact O-CB 3.28Å; A946-L950 PolarHBondContact O-N 3.42Å
947I84.7Confident83.9Confident89 Ų8964.3 Ų64.346%0.45632%0.316SS..Hα-helixtrans-69.4-43.3175.7-67.1166.7000111.1L943 K944 F949 L950 I951L943-I947 HydrophobicContact CD2-CD1 4.32Å; L943-I947 HydrophobicContact CG-CD1 4.22Å; L943-I947 WeakPolarHBondContact O-CG1 3.43Å; L943-I947 PolarHBondContact O-N 2.87Å; K944-I947 PolarHBondContact O-N 2.91Å; I947-F949 VanDerWaalsContact C-N 3.29Å; I947-F949 PolarHBondContact O-N 2.04Å; I947-L950 PolarHBondContact O-N 3.3Å; I947-L950 VanDerWaalsContact O-N 3.13Å; I947-I951 HydrophobicContact CG2-CD1 3.96Å; I947-I951 HydrophobicContact CG2-CG1 4.5Å; I947-I951 WeakPolarHBondContact O-CG1 3.35Å; I947-I951 PolarHBondContact O-N 2.83Å
948Q86.5Confident84.3Confident31 Ų3164.7 Ų64.715%0.14531%0.308CS..Hα-helixtrans-59.1-42.7174.3-72.7177.6-28.900111.2F931 F934 K944 N945 L950 I951 D952F931-Q948 HydrophobicContact CD2-CG 4.19Å; F931-Q948 HydrophobicContact CE2-CG 4.38Å; F931-Q948 HydrophobicContact CG-CG 4.28Å; F934-Q948 HydrophobicContact CB-CB 4.46Å; F934-Q948 HydrophobicContact CD1-CB 4.27Å; F934-Q948 HydrophobicContact CD2-CB 3.94Å; F934-Q948 HydrophobicContact CE2-CB 4.33Å; F934-Q948 HydrophobicContact CG-CB 3.93Å; K944-Q948 WeakPolarHBondContact O-CG 3.31Å; K944-Q948 PolarHBondContact O-N 3Å; N945-Q948 PolarHBondContact O-N 3.05Å; Q948-L950 VanDerWaalsContact C-N 3.34Å; Q948-L950 PolarHBondContact O-N 3.47Å; Q948-I951 PolarHBondContact O-N 2.99Å; Q948-D952 PolarHBondContact O-N 3.17Å; Q948-D952 VanDerWaalsContact O-N 3.13Å
949F86.8Confident84.6Confident39 Ų3961.5 Ų61.517%0.17129%0.294CS..Hα-helixtrans-58.8-43.6172.7176.1-100000112.4F934 H936 F939 N945 A946 I947 Y953 K957F934-F949 VanDerWaalsContact CE1-CA 3.49Å; F934-F949 HydrophobicContact CE1-CB 3.65Å; F934-F949 HydrophobicContact CE1-CD2 4.14Å; F934-F949 HydrophobicContact CE1-CG 4.41Å; F934-F949 HydrophobicContact CZ-CB 3.68Å; F934-F949 HydrophobicContact CZ-CD2 4.5Å; H936-F949 HydrophobicContact CB-CD2 4.42Å; H936-F949 HydrophobicContact CB-CE2 4.28Å; F939-F949 HydrophobicContact CB-CB 4.02Å; F939-F949 HydrophobicContact CB-CD2 4.32Å; F939-F949 HydrophobicContact CB-CG 4.05Å; N945-F949 WeakPolarHBondContact O-CB 3.46Å; N945-F949 PolarHBondContact O-N 3.07Å; A946-F949 WeakPolarHBondContact O-CB 3.43Å; A946-F949 PolarHBondContact O-N 2.99Å; I947-F949 VanDerWaalsContact C-N 3.29Å; I947-F949 PolarHBondContact O-N 2.04Å; F949-Y953 AromaticContact CD2-CD2 3.94Å; F949-Y953 HydrophobicContact CD2-CD2 3.94Å; F949-Y953 HydrophobicContact CD2-CG 4.33Å; F949-Y953 HydrophobicContact CE2-CD2 4.25Å; F949-Y953 HydrophobicContact CE2-CG 4.22Å; F949-Y953 WeakPolarHBondContact O-CA 3.26Å; F949-Y953 WeakPolarHBondContact O-CB 3.44Å; F949-Y953 PolarHBondContact O-N 3.26Å; F949-K957 HydrophobicContact CZ-CG 4.16Å
950L85.4Confident85.1Confident113 Ų11359.8 Ų59.859%0.59229%0.287SS*.Hα-helixtrans-68.6-35.8-178.9-165140000112.7A946 I947 Q948 G954A946-L950 WeakPolarHBondContact O-CB 3.28Å; A946-L950 PolarHBondContact O-N 3.42Å; I947-L950 PolarHBondContact O-N 3.3Å; I947-L950 VanDerWaalsContact O-N 3.13Å; Q948-L950 VanDerWaalsContact C-N 3.34Å; Q948-L950 PolarHBondContact O-N 3.47Å; L950-G954 WeakPolarHBondContact O-CA 3.47Å; L950-G954 PolarHBondContact O-N 2.91Å
951I84.8Confident85.7Confident85 Ų8559.5 Ų59.544%0.43628%0.284SS..Hα-helixtrans-69.7-46.3177.7-67.7169.5000111.5V930 F931 I947 Q948V930-I951 HydrophobicContact CB-CG2 4.41Å; V930-I951 HydrophobicContact CG2-CG2 4.32Å; F931-I951 HydrophobicContact CE2-CB 4.38Å; F931-I951 HydrophobicContact CE2-CD1 3.87Å; F931-I951 HydrophobicContact CE2-CG2 4.15Å; F931-I951 HydrophobicContact CZ-CD1 4.48Å; I947-I951 HydrophobicContact CG2-CD1 3.96Å; I947-I951 HydrophobicContact CG2-CG1 4.5Å; I947-I951 WeakPolarHBondContact O-CG1 3.35Å; I947-I951 PolarHBondContact O-N 2.83Å; Q948-I951 PolarHBondContact O-N 2.99Å
952D85.4Confident86.3Confident37 Ų3753.9 Ų53.920%0.19827%0.267CS..Hα-helixtrans-83.8-34.2-176.2-71-35.4000113V930 Q948V930-D952 PolarHBondContact N-OD1 2.94Å; V930-D952 VanDerWaalsContact N-OD1 3.11Å; Q948-D952 PolarHBondContact O-N 3.17Å; Q948-D952 VanDerWaalsContact O-N 3.13Å
953Y85.6Confident86.9Confident51 Ų5152.1 Ų52.120%0.226%0.255CS..Hα-helixtrans-119.80.3-173.6-61.9-84.5000115.3F934 F949 F955 Y956 K957F934-Y953 HydrophobicContact CD1-CE2 4.39Å; F934-Y953 HydrophobicContact CE1-CE2 4.43Å; F949-Y953 AromaticContact CD2-CD2 3.94Å; F949-Y953 HydrophobicContact CD2-CD2 3.94Å; F949-Y953 HydrophobicContact CD2-CG 4.33Å; F949-Y953 HydrophobicContact CE2-CD2 4.25Å; F949-Y953 HydrophobicContact CE2-CG 4.22Å; F949-Y953 WeakPolarHBondContact O-CA 3.26Å; F949-Y953 WeakPolarHBondContact O-CB 3.44Å; F949-Y953 PolarHBondContact O-N 3.26Å; Y953-F955 PolarHBondContact O-N 3.25Å; Y953-Y956 HydrophobicContact CD1-CD1 4.5Å; Y953-Y956 WeakPolarHBondContact O-CB 3.42Å; Y953-Y956 PolarHBondContact O-N 3.46Å; Y953-Y956 VanDerWaalsContact O-N 3.15Å; Y953-K957 PolarHBondContact O-N 3.03Å; Y953-K957 VanDerWaalsContact O-N 3.11Å
954G86.1Confident87.6Confident8 Ų847.5 Ų47.58%0.08223%0.231CC..Hα-helixtrans-58.4-52.7-17600000113.6L950 Y956 K957 F958L950-G954 WeakPolarHBondContact O-CA 3.47Å; L950-G954 PolarHBondContact O-N 2.91Å; G954-Y956 VanDerWaalsContact C-N 3.25Å; G954-Y956 PolarHBondContact O-N 3.45Å; G954-K957 PolarHBondContact O-N 3.21Å; G954-F958 PolarHBondContact O-N 3.39Å
955F88.7Confident88Confident58 Ų5842.1 Ų42.125%0.25421%0.208SC..Hα-helixtrans-67.6-25.9177.3-165.3-96.1000112.5Y953 G959 I962 L1074 C1077 Q1078 V1081Y953-F955 PolarHBondContact O-N 3.25Å; F955-G959 WeakPolarHBondContact O-CA 3.5Å; F955-G959 PolarHBondContact O-N 2.89Å; F955-I962 HydrophobicContact CD2-CD1 4.26Å; F955-I962 HydrophobicContact CE2-CG2 4.37Å; F955-L1074 HydrophobicContact CE2-CD2 3.85Å; F955-L1074 HydrophobicContact CZ-CD2 4.28Å; F955-C1077 HydrophobicContact CD1-CB 4.3Å; F955-C1077 HydrophobicContact CE1-CB 3.47Å; F955-C1077 VanDerWaalsContact CE1-CB 3.47Å; F955-C1077 HydrophobicContact CZ-CB 3.82Å; F955-Q1078 HydrophobicContact CE1-CB 4.34Å; F955-Q1078 HydrophobicContact CZ-CB 4.32Å; F955-V1081 HydrophobicContact CD1-CG2 4.04Å; F955-V1081 HydrophobicContact CE1-CG2 4.26Å
956Y87.5Confident88.4Confident53 Ų5341.6 Ų41.621%0.20821%0.208CC..Hα-helixtrans-67.9-35.6175178.3-95000112.6Y953 G954 V1081 N1089Y953-Y956 HydrophobicContact CD1-CD1 4.5Å; Y953-Y956 WeakPolarHBondContact O-CB 3.42Å; Y953-Y956 PolarHBondContact O-N 3.46Å; Y953-Y956 VanDerWaalsContact O-N 3.15Å; G954-Y956 VanDerWaalsContact C-N 3.25Å; G954-Y956 PolarHBondContact O-N 3.45Å; Y956-V1081 HydrophobicContact CD2-CG1 3.79Å; Y956-V1081 HydrophobicContact CE2-CG1 4.22Å; Y956-V1081 HydrophobicContact CG-CG1 4.46Å; Y956-N1089 PolarHBondContact O-ND2 2.91Å
957K86.6Confident88.9Confident51 Ų5140.4 Ų40.422%0.22220%0.198CC..Hα-helixtrans-88.6-37.3-180-72.5-60.7-170.7179.10114.1F949 Y953 G954 D1088 N1089F949-K957 HydrophobicContact CZ-CG 4.16Å; Y953-K957 PolarHBondContact O-N 3.03Å; Y953-K957 VanDerWaalsContact O-N 3.11Å; G954-K957 PolarHBondContact O-N 3.21Å; K957-D1088 PolarHBondContact NZ-O 2.75Å; K957-N1089 WeakPolarHBondContact CD-OD1 3.28Å; K957-N1089 WeakPolarHBondContact CE-OD1 3.05Å; K957-N1089 PolarHBondContact NZ-OD1 2.99Å
958F88.8Confident89.3Confident80 Ų8036.3 Ų36.335%0.35118%0.177SC..Hα-helixtrans-113.89.9-172.7-58-68.3000114.6G954 L960 E961 I962 F1270G954-F958 PolarHBondContact O-N 3.39Å; F958-L960 VanDerWaalsContact C-N 3.34Å; F958-L960 PolarHBondContact O-N 3.02Å; F958-E961 VanDerWaalsContact C-OE2 3.25Å; F958-E961 WeakPolarHBondContact CA-OE2 3.48Å; F958-E961 PolarHBondContact O-N 3.09Å; F958-I962 HydrophobicContact CB-CD1 4.09Å; F958-I962 HydrophobicContact CB-CG1 4.44Å; F958-I962 VanDerWaalsContact O-CG1 3.27Å; F958-I962 WeakPolarHBondContact O-CG1 3.44Å; F958-I962 PolarHBondContact O-N 3.39Å; F958-F1270 HydrophobicContact CD1-CE1 4.25Å
959G89.8Confident89.6Confident0 Ų038.7 Ų38.70%019%0.191CC..Hα-helixtrans-60.7-37.5-172.300000114.3F955 I962 T963 Q1078F955-G959 WeakPolarHBondContact O-CA 3.5Å; F955-G959 PolarHBondContact O-N 2.89Å; G959-I962 PolarHBondContact O-N 3.1Å; G959-T963 WeakPolarHBondContact O-CG2 3.37Å; G959-T963 PolarHBondContact O-N 2.98Å; G959-T963 PolarHBondContact O-OG1 2.65Å; G959-T963 VanDerWaalsContact O-OG1 3.06Å; G959-Q1078 VanDerWaalsContact CA-OE1 3.3Å
960L90.5Very high89.8Confident12 Ų1237 Ų376%0.06318%0.183CC..Hα-helixtrans-65.1-46.717817761.2000111.4F958 T963 M964 R994 V997 W1001 F1082F958-L960 VanDerWaalsContact C-N 3.34Å; F958-L960 PolarHBondContact O-N 3.02Å; L960-T963 WeakPolarHBondContact CA-OG1 3.17Å; L960-T963 PolarHBondContact O-N 3.3Å; L960-T963 PolarHBondContact O-OG1 2.7Å; L960-M964 HydrophobicContact CG-CE 4.14Å; L960-M964 WeakPolarHBondContact O-CG 2.98Å; L960-M964 PolarHBondContact O-N 3.43Å; L960-R994 HydrophobicContact CD2-CG 4.16Å; L960-V997 HydrophobicContact CD1-CG1 3.83Å; L960-W1001 HydrophobicContact CD1-CH2 4.27Å; L960-W1001 HydrophobicContact CD1-CZ3 3.96Å; L960-F1082 HydrophobicContact CD1-CZ 4.27Å
961E91.4Very high90.2Very high11 Ų1131.7 Ų31.75%0.05116%0.155CC..Hα-helixtrans-62.3-44.4177.9-62.181.6174.500110.9F958 T963 M964 I965 V1269 R1273F958-E961 VanDerWaalsContact C-OE2 3.25Å; F958-E961 WeakPolarHBondContact CA-OE2 3.48Å; F958-E961 PolarHBondContact O-N 3.09Å; E961-T963 VanDerWaalsContact C-N 3.34Å; E961-T963 PolarHBondContact O-N 3.44Å; E961-M964 HydrophobicContact CG-CE 4.42Å; E961-M964 PolarHBondContact O-N 2.89Å; E961-I965 VanDerWaalsContact O-CG1 3.31Å; E961-I965 WeakPolarHBondContact O-CG1 3.41Å; E961-I965 PolarHBondContact O-N 3.35Å; E961-V1269 HydrophobicContact CB-CG1 4.06Å; E961-V1269 HydrophobicContact CG-CG1 3.87Å; E961-R1273 WeakPolarHBondContact OE1-CD 3.46Å; E961-R1273 IonicContact OE1-NE 3.16Å
962I91.8Very high90.4Very high63 Ų6331.2 Ų31.232%0.32315%0.15SC..Hα-helixtrans-61.7-42176.1-67.3166.3000111F955 F958 G959 I965 A966 L1074F955-I962 HydrophobicContact CD2-CD1 4.26Å; F955-I962 HydrophobicContact CE2-CG2 4.37Å; F958-I962 HydrophobicContact CB-CD1 4.09Å; F958-I962 HydrophobicContact CB-CG1 4.44Å; F958-I962 VanDerWaalsContact O-CG1 3.27Å; F958-I962 WeakPolarHBondContact O-CG1 3.44Å; F958-I962 PolarHBondContact O-N 3.39Å; G959-I962 PolarHBondContact O-N 3.1Å; I962-I965 PolarHBondContact O-N 3.07Å; I962-A966 WeakPolarHBondContact O-CB 3.42Å; I962-A966 PolarHBondContact O-N 3.19Å; I962-L1074 HydrophobicContact CG2-CD1 4.5Å
963T93.1Very high90.6Very high5 Ų533 Ų333%0.03116%0.16CC..Hα-helixtrans-67.1-38.2177.650.70000113G959 L960 E961 I965 A966 I967 W1001 L1074 Q1078G959-T963 WeakPolarHBondContact O-CG2 3.37Å; G959-T963 PolarHBondContact O-N 2.98Å; G959-T963 PolarHBondContact O-OG1 2.65Å; G959-T963 VanDerWaalsContact O-OG1 3.06Å; L960-T963 WeakPolarHBondContact CA-OG1 3.17Å; L960-T963 PolarHBondContact O-N 3.3Å; L960-T963 PolarHBondContact O-OG1 2.7Å; E961-T963 VanDerWaalsContact C-N 3.34Å; E961-T963 PolarHBondContact O-N 3.44Å; T963-I965 VanDerWaalsContact C-N 3.35Å; T963-A966 PolarHBondContact O-N 2.97Å; T963-I967 VanDerWaalsContact O-CG1 3.32Å; T963-I967 WeakPolarHBondContact O-CG1 3.39Å; T963-I967 PolarHBondContact O-N 3.33Å; T963-W1001 HydrophobicContact CG2-CH2 4.4Å; T963-W1001 HydrophobicContact CG2-CZ2 4.02Å; T963-W1001 VanDerWaalsContact OG1-CH2 3.31Å; T963-W1001 WeakPolarHBondContact OG1-CH2 3.4Å; T963-L1074 HydrophobicContact CG2-CB 3.87Å; T963-Q1078 HydrophobicContact CG2-CB 4.06Å; T963-Q1078 HydrophobicContact CG2-CG 4.5Å
964M92.8Very high90.7Very high14 Ų1430.5 Ų30.57%0.06915%0.15CC..Hα-helixtrans-65.6-38.9175.9-71.2-175.3-63.100111.8L960 E961 I967 G968 L986 F989 V1269L960-M964 HydrophobicContact CG-CE 4.14Å; L960-M964 WeakPolarHBondContact O-CG 2.98Å; L960-M964 PolarHBondContact O-N 3.43Å; E961-M964 HydrophobicContact CG-CE 4.42Å; E961-M964 PolarHBondContact O-N 2.89Å; M964-I967 PolarHBondContact O-N 3.44Å; M964-G968 PolarHBondContact O-N 2.68Å; M964-L986 HydrophobicContact CB-CD1 4.07Å; M964-L986 HydrophobicContact CG-CD1 4.47Å; M964-F989 HydrophobicContact CG-CB 4.37Å; M964-F989 HydrophobicContact SD-CB 4.15Å; M964-V1269 HydrophobicContact CE-CG1 3.73Å
965I92.8Very high90.8Very high28 Ų2830.6 Ų30.614%0.14415%0.148CC..Hα-helixtrans-65.4-41.8174.1-65.7166.6000110.3E961 I962 T963 I967 G968 I969 F1270E961-I965 VanDerWaalsContact O-CG1 3.31Å; E961-I965 WeakPolarHBondContact O-CG1 3.41Å; E961-I965 PolarHBondContact O-N 3.35Å; I962-I965 PolarHBondContact O-N 3.07Å; T963-I965 VanDerWaalsContact C-N 3.35Å; I965-I967 VanDerWaalsContact C-N 3.32Å; I965-I967 PolarHBondContact O-N 3.36Å; I965-G968 PolarHBondContact O-N 3.48Å; I965-G968 VanDerWaalsContact O-N 3.13Å; I965-I969 HydrophobicContact CG2-CD1 3.97Å; I965-I969 HydrophobicContact CG2-CG1 4.47Å; I965-I969 WeakPolarHBondContact O-CG1 3.44Å; I965-I969 PolarHBondContact O-N 3.16Å; I965-F1270 HydrophobicContact CD1-CD2 4.21Å; I965-F1270 HydrophobicContact CD1-CE2 3.55Å; I965-F1270 HydrophobicContact CD1-CZ 4.24Å
966A93.2Very high90.7Very high19 Ų1928.1 Ų28.116%0.15714%0.138CC..Hα-helixtrans-61.3-38.717600000112.4I962 T963 I969 D970 V1071 L1074I962-A966 WeakPolarHBondContact O-CB 3.42Å; I962-A966 PolarHBondContact O-N 3.19Å; T963-A966 PolarHBondContact O-N 2.97Å; A966-I969 PolarHBondContact O-N 2.85Å; A966-D970 PolarHBondContact O-N 3.23Å; A966-V1071 HydrophobicContact CB-CG2 4.49Å; A966-L1074 HydrophobicContact CB-CD1 3.82Å
967I94.4Very high90.7Very high2 Ų226.7 Ų26.71%0.0114%0.137CC..Hα-helixtrans-63.4-44.2172.2-65.8166.2000110.6T963 M964 I965 I969 D970 I971 Q982 L986 F989 Y1004 V1071T963-I967 VanDerWaalsContact O-CG1 3.32Å; T963-I967 WeakPolarHBondContact O-CG1 3.39Å; T963-I967 PolarHBondContact O-N 3.33Å; M964-I967 PolarHBondContact O-N 3.44Å; I965-I967 VanDerWaalsContact C-N 3.32Å; I965-I967 PolarHBondContact O-N 3.36Å; I967-I969 VanDerWaalsContact C-N 3.3Å; I967-I969 PolarHBondContact O-N 3.42Å; I967-D970 PolarHBondContact O-N 3.43Å; I967-I971 HydrophobicContact CG2-CD1 3.83Å; I967-I971 HydrophobicContact CG2-CG1 4.45Å; I967-I971 WeakPolarHBondContact O-CD1 3.42Å; I967-I971 VanDerWaalsContact O-CG1 3.27Å; I967-I971 WeakPolarHBondContact O-CG1 3.43Å; I967-I971 PolarHBondContact O-N 3.12Å; I967-Q982 HydrophobicContact CG2-CB 4.29Å; I967-L986 HydrophobicContact CB-CD1 4.47Å; I967-L986 HydrophobicContact CG2-CB 4.09Å; I967-L986 HydrophobicContact CG2-CD1 4.33Å; I967-F989 HydrophobicContact CD1-CD2 4.11Å; I967-F989 HydrophobicContact CD1-CE2 4.08Å; I967-Y1004 HydrophobicContact CD1-CE1 4.23Å; I967-V1071 HydrophobicContact CG1-CG1 4.26Å
968G92.9Very high90.9Very high2 Ų225.5 Ų25.52%0.02113%0.133CC..Hα-helixtrans-60.3-36.4175.400000113.7M964 I965 F972 V1262M964-G968 PolarHBondContact O-N 2.68Å; I965-G968 PolarHBondContact O-N 3.48Å; I965-G968 VanDerWaalsContact O-N 3.13Å; G968-F972 PolarHBondContact O-N 3.39Å; G968-F972 VanDerWaalsContact O-N 3.14Å; G968-V1262 WeakPolarHBondContact O-CG2 3.29Å
969I92.7Very high91Very high82 Ų8221.7 Ų21.742%0.42112%0.116SC..Hα-helixtrans-70.5-40.9175.4-67.3166.7000111.1I965 A966 I967 F972 N973 V1262I965-I969 HydrophobicContact CG2-CD1 3.97Å; I965-I969 HydrophobicContact CG2-CG1 4.47Å; I965-I969 WeakPolarHBondContact O-CG1 3.44Å; I965-I969 PolarHBondContact O-N 3.16Å; A966-I969 PolarHBondContact O-N 2.85Å; I967-I969 VanDerWaalsContact C-N 3.3Å; I967-I969 PolarHBondContact O-N 3.42Å; I969-F972 WeakPolarHBondContact O-CB 3.21Å; I969-F972 PolarHBondContact O-N 3.24Å; I969-N973 PolarHBondContact O-N 3.07Å; I969-V1262 HydrophobicContact CG1-CG1 4.32Å
970D92.1Very high91Very high4 Ų423.1 Ų23.12%0.02113%0.128CC..Hα-helixtrans-62.7-44.4176.2-172.859.2000111.6A966 I967 F972 N973 R974 V1071A966-D970 PolarHBondContact O-N 3.23Å; I967-D970 PolarHBondContact O-N 3.43Å; D970-F972 VanDerWaalsContact C-N 3.29Å; D970-F972 PolarHBondContact O-N 3.22Å; D970-N973 PolarHBondContact O-N 3.25Å; D970-R974 WeakPolarHBondContact O-CB 3.47Å; D970-R974 WeakPolarHBondContact O-CG 3.41Å; D970-R974 PolarHBondContact O-N 3.1Å; D970-R974 WeakPolarHBondContact OD2-CD 3.43Å; D970-V1071 HydrophobicContact CB-CG2 4.08Å
971I92.7Very high91Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-56.8-43.7173.6-68.4161.6000111.2I967 R974 M975 A979 Q982 C983 L986 I1193 V1197 I1258I967-I971 HydrophobicContact CG2-CD1 3.83Å; I967-I971 HydrophobicContact CG2-CG1 4.45Å; I967-I971 WeakPolarHBondContact O-CD1 3.42Å; I967-I971 VanDerWaalsContact O-CG1 3.27Å; I967-I971 WeakPolarHBondContact O-CG1 3.43Å; I967-I971 PolarHBondContact O-N 3.12Å; I971-R974 PolarHBondContact O-N 3.43Å; I971-M975 PolarHBondContact O-N 3.05Å; I971-A979 HydrophobicContact CB-CB 4.5Å; I971-A979 HydrophobicContact CG2-CB 4.26Å; I971-Q982 HydrophobicContact CD1-CB 4.02Å; I971-Q982 HydrophobicContact CG1-CB 3.69Å; I971-C983 HydrophobicContact CD1-CB 4.46Å; I971-C983 VanDerWaalsContact CG2-SG 3.53Å; I971-L986 HydrophobicContact CD1-CB 4.29Å; I971-L986 HydrophobicContact CD1-CD2 3.8Å; I971-I1193 HydrophobicContact CG2-CG2 4.28Å; I971-V1197 HydrophobicContact CG2-CG2 3.81Å; I971-I1258 HydrophobicContact CG2-CD1 3.78Å
972F90.6Very high91.1Very high76 Ų7625.8 Ų25.833%0.33314%0.142SC..Hα-helixtrans-62-40.7177.6168.7-123.4000113.4G968 I969 D970 M975 I1258 V1262G968-F972 PolarHBondContact O-N 3.39Å; G968-F972 VanDerWaalsContact O-N 3.14Å; I969-F972 WeakPolarHBondContact O-CB 3.21Å; I969-F972 PolarHBondContact O-N 3.24Å; D970-F972 VanDerWaalsContact C-N 3.29Å; D970-F972 PolarHBondContact O-N 3.22Å; F972-M975 WeakPolarHBondContact O-CG 3.3Å; F972-I1258 HydrophobicContact CB-CD1 3.97Å; F972-I1258 HydrophobicContact CB-CG1 4.01Å; F972-I1258 HydrophobicContact CD2-CG1 3.69Å; F972-I1258 HydrophobicContact CG-CG1 4.3Å; F972-V1262 HydrophobicContact CB-CG2 4.26Å
973N88.1Confident91.1Very high73 Ų7322.9 Ų22.939%0.3913%0.127SC..Hα-helixtrans-74-36.7179.7-72.8-16.3000112.3I969 D970 Y1064I969-N973 PolarHBondContact O-N 3.07Å; D970-N973 PolarHBondContact O-N 3.25Å; N973-Y1064 WeakPolarHBondContact O-CE1 3.26Å
974R88.1Confident91.1Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-82.5-50.4-172.5-69-177.967.7129.927.1113.9D970 I971 D976 L978 A979 Y1064 D1068D970-R974 WeakPolarHBondContact O-CB 3.47Å; D970-R974 WeakPolarHBondContact O-CG 3.41Å; D970-R974 PolarHBondContact O-N 3.1Å; D970-R974 WeakPolarHBondContact OD2-CD 3.43Å; I971-R974 PolarHBondContact O-N 3.43Å; R974-D976 IonicContact CZ-OD2 2.68Å; R974-D976 IonicContact NE-OD1 3.66Å; R974-D976 PolarHBondContact NE-OD1 3.03Å; R974-D976 IonicContact NE-OD2 3.78Å; R974-D976 PolarHBondContact NE-OD2 3.5Å; R974-D976 IonicContact NH2-OD1 3.11Å; R974-D976 IonicContact NH2-OD2 3.48Å; R974-D976 PolarHBondContact NH2-OD2 3.41Å; R974-D976 PolarHBondContact O-N 3.45Å; R974-L978 VanDerWaalsContact CZ-CB 3.47Å; R974-A979 HydrophobicContact CB-CB 3.93Å; R974-Y1064 HydrophobicContact CG-CD1 4.09Å; R974-Y1064 HydrophobicContact CG-CG 4.31Å; R974-D1068 IonicContact CZ-OD2 3.98Å; R974-D1068 IonicContact NH1-OD1 3.74Å; R974-D1068 PolarHBondContact NH1-OD1 3.2Å; R974-D1068 IonicContact NH1-OD2 3.87Å; R974-D1068 PolarHBondContact NH1-OD2 3.5Å
975M87.4Confident91.1Very high9 Ų930.7 Ų30.74%0.04416%0.159CC..  trans45.831.3-176.6-61.6-71.4-85.900114.7I971 F972 V1197 Q1200 I1258I971-M975 PolarHBondContact O-N 3.05Å; F972-M975 WeakPolarHBondContact O-CG 3.3Å; M975-V1197 HydrophobicContact SD-CG2 3.77Å; M975-Q1200 HydrophobicContact CE-CG 3.85Å; M975-I1258 HydrophobicContact CE-CG1 4.17Å; M975-I1258 HydrophobicContact CE-CG2 3.9Å; M975-I1258 HydrophobicContact SD-CD1 3.59Å; M975-I1258 VanDerWaalsContact SD-CD1 3.59Å; M975-I1258 HydrophobicContact SD-CG1 3.7Å; M975-I1258 HydrophobicContact SD-CG2 4.29Å
976D87.7Confident91.2Very high7 Ų729.5 Ų29.54%0.03715%0.153CC..SBendtrans-113.4-172.5-175.967.5-0.3000111.7R974 L978 A979 A980R974-D976 IonicContact CZ-OD2 2.68Å; R974-D976 IonicContact NE-OD1 3.66Å; R974-D976 PolarHBondContact NE-OD1 3.03Å; R974-D976 IonicContact NE-OD2 3.78Å; R974-D976 PolarHBondContact NE-OD2 3.5Å; R974-D976 IonicContact NH2-OD1 3.11Å; R974-D976 IonicContact NH2-OD2 3.48Å; R974-D976 PolarHBondContact NH2-OD2 3.41Å; R974-D976 PolarHBondContact O-N 3.45Å; D976-L978 VanDerWaalsContact C-N 3.3Å; D976-L978 PolarHBondContact O-N 3.39Å; D976-L978 PolarHBondContact OD1-N 2.72Å; D976-A979 WeakPolarHBondContact O-CB 3.28Å; D976-A979 PolarHBondContact O-N 3.1Å; D976-A979 WeakPolarHBondContact OD1-CB 3.44Å; D976-A979 PolarHBondContact OD1-N 3.19Å; D976-A980 PolarHBondContact O-N 3.42Å
977A87.9Confident91.2Very high23 Ų2330.6 Ų30.619%0.1916%0.158CC..Hα-helixtrans-63.7-33.5177.200000113.1A980 I981 L1050 L1051A977-A980 WeakPolarHBondContact O-CB 3.37Å; A977-A980 PolarHBondContact O-N 3.32Å; A977-I981 WeakPolarHBondContact O-CG1 3.29Å; A977-I981 PolarHBondContact O-N 3.42Å; A977-I981 VanDerWaalsContact O-N 3.1Å; A977-L1050 VanDerWaalsContact CB-O 3.31Å; A977-L1050 WeakPolarHBondContact CB-O 3.3Å; A977-L1050 PolarHBondContact N-O 2.91Å; A977-L1051 HydrophobicContact CB-CD2 4.13Å
978L89.6Confident91Very high25 Ų2532.4 Ų32.413%0.13117%0.167CC..Hα-helixtrans-70-34.9175.3-75.9171.1000110.9R974 D976 A980 I981 Q982 L1011 N1052R974-L978 VanDerWaalsContact CZ-CB 3.47Å; D976-L978 VanDerWaalsContact C-N 3.3Å; D976-L978 PolarHBondContact O-N 3.39Å; D976-L978 PolarHBondContact OD1-N 2.72Å; L978-A980 VanDerWaalsContact C-N 3.34Å; L978-I981 HydrophobicContact CD2-CD1 4.28Å; L978-I981 PolarHBondContact O-N 3.47Å; L978-Q982 VanDerWaalsContact O-CG 3.3Å; L978-Q982 WeakPolarHBondContact O-CG 3.4Å; L978-Q982 PolarHBondContact O-N 2.72Å; L978-L1011 HydrophobicContact CD1-CD1 4.38Å; L978-L1011 HydrophobicContact CD2-CD1 4.03Å; L978-N1052 HydrophobicContact CD1-CB 4.22Å; L978-N1052 WeakPolarHBondContact CD1-ND2 3.27Å
979A90.8Very high91Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-62-40.417000000111.5I971 R974 D976 I981 Q982 C983 V1197I971-A979 HydrophobicContact CB-CB 4.5Å; I971-A979 HydrophobicContact CG2-CB 4.26Å; R974-A979 HydrophobicContact CB-CB 3.93Å; D976-A979 WeakPolarHBondContact O-CB 3.28Å; D976-A979 PolarHBondContact O-N 3.1Å; D976-A979 WeakPolarHBondContact OD1-CB 3.44Å; D976-A979 PolarHBondContact OD1-N 3.19Å; A979-I981 VanDerWaalsContact C-N 3.31Å; A979-I981 PolarHBondContact O-N 2.93Å; A979-Q982 CarbonylContact O-C 3.59Å; A979-Q982 PolarHBondContact O-N 3.05Å; A979-C983 PolarHBondContact O-N 3.49Å; A979-C983 PolarHBondContact O-SG 2.72Å; A979-C983 VanDerWaalsContact O-SG 3.34Å; A979-V1197 HydrophobicContact CB-CG1 4.31Å
980A90.1Very high90.9Very high30 Ų3029.7 Ų29.725%0.24816%0.156CC..Hα-helixtrans-62.1-38.1173.900000112.3D976 A977 L978 C983 F984 V1197D976-A980 PolarHBondContact O-N 3.42Å; A977-A980 WeakPolarHBondContact O-CB 3.37Å; A977-A980 PolarHBondContact O-N 3.32Å; L978-A980 VanDerWaalsContact C-N 3.34Å; A980-C983 WeakPolarHBondContact O-CB 3.31Å; A980-C983 PolarHBondContact O-N 2.71Å; A980-F984 PolarHBondContact O-N 3.23Å; A980-V1197 HydrophobicContact CB-CG1 4.08Å
981I91.5Very high90.7Very high80 Ų8034.2 Ų34.241%0.4118%0.18SC..Hα-helixtrans-68-39.7173.1-65.5166.9000110.8A977 L978 A979 C983 F984 W985A977-I981 WeakPolarHBondContact O-CG1 3.29Å; A977-I981 PolarHBondContact O-N 3.42Å; A977-I981 VanDerWaalsContact O-N 3.1Å; L978-I981 HydrophobicContact CD2-CD1 4.28Å; L978-I981 PolarHBondContact O-N 3.47Å; A979-I981 VanDerWaalsContact C-N 3.31Å; A979-I981 PolarHBondContact O-N 2.93Å; I981-C983 VanDerWaalsContact C-N 3.33Å; I981-C983 PolarHBondContact O-N 3.35Å; I981-F984 WeakPolarHBondContact O-CB 3.42Å; I981-F984 PolarHBondContact O-N 2.9Å; I981-W985 PolarHBondContact O-N 3.41Å
982Q92.3Very high90.4Very high0 Ų037.6 Ų37.60%020%0.198CC..Hα-helixtrans-65.3-34.5174.2-67.7-66.66.900112.2I967 I971 L978 A979 F984 W985 L986 Y1004 M1008I967-Q982 HydrophobicContact CG2-CB 4.29Å; I971-Q982 HydrophobicContact CD1-CB 4.02Å; I971-Q982 HydrophobicContact CG1-CB 3.69Å; L978-Q982 VanDerWaalsContact O-CG 3.3Å; L978-Q982 WeakPolarHBondContact O-CG 3.4Å; L978-Q982 PolarHBondContact O-N 2.72Å; A979-Q982 CarbonylContact O-C 3.59Å; A979-Q982 PolarHBondContact O-N 3.05Å; Q982-F984 VanDerWaalsContact C-N 3.28Å; Q982-F984 PolarHBondContact O-N 3.46Å; Q982-W985 PolarHBondContact O-N 2.97Å; Q982-L986 WeakPolarHBondContact O-CB 3.4Å; Q982-L986 PolarHBondContact O-N 3.04Å; Q982-Y1004 PolarHBondContact OE1-OH 2.92Å; Q982-M1008 PolarHBondContact NE2-SD 3.41Å
983C92.8Very high90Very high1 Ų141.4 Ų41.41%0.00721%0.214CC..Hα-helixtrans-58.1-41.5171.9-75.30000111.1I971 A979 A980 I981 L986 V987 T1194I971-C983 HydrophobicContact CD1-CB 4.46Å; I971-C983 VanDerWaalsContact CG2-SG 3.53Å; A979-C983 PolarHBondContact O-N 3.49Å; A979-C983 PolarHBondContact O-SG 2.72Å; A979-C983 VanDerWaalsContact O-SG 3.34Å; A980-C983 WeakPolarHBondContact O-CB 3.31Å; A980-C983 PolarHBondContact O-N 2.71Å; I981-C983 VanDerWaalsContact C-N 3.33Å; I981-C983 PolarHBondContact O-N 3.35Å; C983-L986 PolarHBondContact O-N 3.32Å; C983-V987 WeakPolarHBondContact O-CB 3.43Å; C983-V987 VanDerWaalsContact O-CG2 3.26Å; C983-V987 WeakPolarHBondContact O-CG2 3.4Å; C983-V987 PolarHBondContact O-N 3.47Å; C983-T1194 HydrophobicContact CB-CG2 4.45Å
984F92.6Very high89.9Confident133 Ų13339.6 Ų39.658%0.58320%0.202SC*.Hα-helixtrans-62-44.4176179.2-97.4000111.8A980 I981 Q982 V987 L988A980-F984 PolarHBondContact O-N 3.23Å; I981-F984 WeakPolarHBondContact O-CB 3.42Å; I981-F984 PolarHBondContact O-N 2.9Å; Q982-F984 VanDerWaalsContact C-N 3.28Å; Q982-F984 PolarHBondContact O-N 3.46Å; F984-V987 PolarHBondContact O-N 3.05Å; F984-L988 WeakPolarHBondContact O-CB 3.46Å; F984-L988 PolarHBondContact O-N 3Å
985W93.6Very high89.7Confident50 Ų5042.5 Ų42.519%0.18922%0.22CC..Hα-helixtrans-61.9-42.3173.6-73.4114.8000112.3I981 Q982 L988 F989 I1000 Y1004I981-W985 PolarHBondContact O-N 3.41Å; Q982-W985 PolarHBondContact O-N 2.97Å; W985-L988 HydrophobicContact CE3-CD2 3.99Å; W985-L988 HydrophobicContact CZ3-CD2 3.96Å; W985-L988 WeakPolarHBondContact O-CB 3.32Å; W985-L988 PolarHBondContact O-N 3.16Å; W985-F989 HydrophobicContact CB-CE2 3.98Å; W985-F989 HydrophobicContact CB-CZ 4.32Å; W985-F989 HydrophobicContact CD2-CZ 4.33Å; W985-F989 AromaticContact CE3-CE1 3.92Å; W985-F989 HydrophobicContact CE3-CE1 3.92Å; W985-F989 HydrophobicContact CE3-CE2 4.41Å; W985-F989 AromaticContact CE3-CZ 3.61Å; W985-F989 HydrophobicContact CE3-CZ 3.61Å; W985-F989 HydrophobicContact CZ3-CE1 4.4Å; W985-F989 HydrophobicContact CZ3-CZ 4.32Å; W985-F989 WeakPolarHBondContact O-CD2 3.32Å; W985-F989 WeakPolarHBondContact O-CG 3.38Å; W985-F989 PolarHBondContact O-N 3.19Å; W985-I1000 HydrophobicContact CH2-CG2 4.42Å; W985-I1000 HydrophobicContact CZ3-CG2 3.71Å; W985-Y1004 HydrophobicContact CB-CE2 4.29Å; W985-Y1004 HydrophobicContact CD2-CD2 4.04Å; W985-Y1004 HydrophobicContact CE3-CD2 4.41Å; W985-Y1004 HydrophobicContact CG-CD2 4.1Å; W985-Y1004 HydrophobicContact CG-CE2 4.09Å
986L93.9Very high89.8Confident3 Ų346.5 Ų46.52%0.01624%0.237CC..Hα-helixtrans-62.5-45178.1-176.562.9000111.9M964 I967 I971 Q982 C983 L988 F989 A990 L1190 L1265M964-L986 HydrophobicContact CB-CD1 4.07Å; M964-L986 HydrophobicContact CG-CD1 4.47Å; I967-L986 HydrophobicContact CB-CD1 4.47Å; I967-L986 HydrophobicContact CG2-CB 4.09Å; I967-L986 HydrophobicContact CG2-CD1 4.33Å; I971-L986 HydrophobicContact CD1-CB 4.29Å; I971-L986 HydrophobicContact CD1-CD2 3.8Å; Q982-L986 WeakPolarHBondContact O-CB 3.4Å; Q982-L986 PolarHBondContact O-N 3.04Å; C983-L986 PolarHBondContact O-N 3.32Å; L986-L988 VanDerWaalsContact C-N 3.34Å; L986-F989 PolarHBondContact O-N 2.96Å; L986-A990 VanDerWaalsContact O-CB 3.26Å; L986-A990 WeakPolarHBondContact O-CB 3.36Å; L986-A990 PolarHBondContact O-N 3.29Å; L986-L1190 HydrophobicContact CD2-CD2 4.19Å; L986-L1190 HydrophobicContact CG-CD2 4.08Å; L986-L1265 HydrophobicContact CD2-CD2 3.87Å
987V92.5Very high89.9Confident43 Ų4346.3 Ų46.326%0.26124%0.236SC..Hα-helixtrans-60.6-44.5174.5171.10000110.6C983 F984 F989 L991 L1190C983-V987 WeakPolarHBondContact O-CB 3.43Å; C983-V987 VanDerWaalsContact O-CG2 3.26Å; C983-V987 WeakPolarHBondContact O-CG2 3.4Å; C983-V987 PolarHBondContact O-N 3.47Å; F984-V987 PolarHBondContact O-N 3.05Å; V987-F989 VanDerWaalsContact C-N 3.34Å; V987-F989 PolarHBondContact O-N 3.37Å; V987-L991 HydrophobicContact CG1-CD1 3.77Å; V987-L991 HydrophobicContact CG1-CG 4.47Å; V987-L991 WeakPolarHBondContact O-CB 3.45Å; V987-L991 WeakPolarHBondContact O-CG 3.49Å; V987-L991 PolarHBondContact O-N 3.42Å; V987-L1190 HydrophobicContact CG2-CB 4.22Å
988L92.3Very high90Very high39 Ų3949.5 Ų49.520%0.20424%0.243CC..Hα-helixtrans-62.2-40.1177.9-168.8105.2000111.9F984 W985 L986 N992 F996 I1000F984-L988 WeakPolarHBondContact O-CB 3.46Å; F984-L988 PolarHBondContact O-N 3Å; W985-L988 HydrophobicContact CE3-CD2 3.99Å; W985-L988 HydrophobicContact CZ3-CD2 3.96Å; W985-L988 WeakPolarHBondContact O-CB 3.32Å; W985-L988 PolarHBondContact O-N 3.16Å; L986-L988 VanDerWaalsContact C-N 3.34Å; L988-N992 WeakPolarHBondContact O-CB 3.4Å; L988-N992 PolarHBondContact O-ND2 3.25Å; L988-F996 HydrophobicContact CD2-CE1 4.5Å; L988-F996 HydrophobicContact CG-CE1 4.49Å; L988-I1000 HydrophobicContact CD2-CD1 4.13Å; L988-I1000 HydrophobicContact CD2-CG2 4.17Å
989F92.4Very high90Very high5 Ų557.3 Ų57.32%0.02227%0.271CS..Hα-helixtrans-76.1-39.8180-60-30.5000112.8M964 I967 W985 L986 V987 V997 I1000 W1001 Y1004M964-F989 HydrophobicContact CG-CB 4.37Å; M964-F989 HydrophobicContact SD-CB 4.15Å; I967-F989 HydrophobicContact CD1-CD2 4.11Å; I967-F989 HydrophobicContact CD1-CE2 4.08Å; W985-F989 HydrophobicContact CB-CE2 3.98Å; W985-F989 HydrophobicContact CB-CZ 4.32Å; W985-F989 HydrophobicContact CD2-CZ 4.33Å; W985-F989 AromaticContact CE3-CE1 3.92Å; W985-F989 HydrophobicContact CE3-CE1 3.92Å; W985-F989 HydrophobicContact CE3-CE2 4.41Å; W985-F989 AromaticContact CE3-CZ 3.61Å; W985-F989 HydrophobicContact CE3-CZ 3.61Å; W985-F989 HydrophobicContact CZ3-CE1 4.4Å; W985-F989 HydrophobicContact CZ3-CZ 4.32Å; W985-F989 WeakPolarHBondContact O-CD2 3.32Å; W985-F989 WeakPolarHBondContact O-CG 3.38Å; W985-F989 PolarHBondContact O-N 3.19Å; L986-F989 PolarHBondContact O-N 2.96Å; V987-F989 VanDerWaalsContact C-N 3.34Å; V987-F989 PolarHBondContact O-N 3.37Å; F989-V997 HydrophobicContact CD1-CG1 3.88Å; F989-V997 HydrophobicContact CD1-CG2 4.39Å; F989-V997 HydrophobicContact CE1-CG1 4.46Å; F989-V997 HydrophobicContact CG-CG1 4.34Å; F989-I1000 HydrophobicContact CE1-CG2 4.32Å; F989-W1001 HydrophobicContact CD1-CZ3 4.48Å; F989-W1001 AromaticContact CD2-CZ3 3.87Å; F989-W1001 HydrophobicContact CD2-CZ3 3.87Å; F989-W1001 HydrophobicContact CE1-CE3 4.29Å; F989-W1001 HydrophobicContact CE1-CZ3 4.38Å; F989-W1001 HydrophobicContact CE2-CE3 4.32Å; F989-W1001 HydrophobicContact CE2-CH2 4.49Å; F989-W1001 AromaticContact CE2-CZ3 3.75Å; F989-W1001 HydrophobicContact CE2-CZ3 3.75Å; F989-W1001 HydrophobicContact CG-CZ3 4.25Å; F989-W1001 HydrophobicContact CZ-CE3 4.12Å; F989-W1001 HydrophobicContact CZ-CZ3 4.02Å; F989-Y1004 HydrophobicContact CE2-CD1 4.49Å; F989-Y1004 HydrophobicContact CE2-CD2 4.09Å; F989-Y1004 HydrophobicContact CE2-CE2 4.29Å; F989-Y1004 HydrophobicContact CE2-CG 4.2Å; F989-Y1004 AromaticContact CZ-CD2 3.96Å; F989-Y1004 HydrophobicContact CZ-CD2 3.96Å; F989-Y1004 AromaticContact CZ-CG 3.94Å; F989-Y1004 HydrophobicContact CZ-CG 3.94Å
990A90.3Very high90.1Very high23 Ų2359 Ų5919%0.1928%0.279CS..Hα-helixtrans-76.1-32.3-174.100000114.1L986 L1190L986-A990 VanDerWaalsContact O-CB 3.26Å; L986-A990 WeakPolarHBondContact O-CB 3.36Å; L986-A990 PolarHBondContact O-N 3.29Å; A990-L1190 HydrophobicContact CB-CD1 3.71Å; A990-L1190 HydrophobicContact CB-CD2 4.43Å
991L87.7Confident90.2Very high99 Ų9957.5 Ų57.552%0.51827%0.267SS..Hα-helixtrans-89.1-13.6-177.9-62.7-179.2000114.1V987 L1190V987-L991 HydrophobicContact CG1-CD1 3.77Å; V987-L991 HydrophobicContact CG1-CG 4.47Å; V987-L991 WeakPolarHBondContact O-CB 3.45Å; V987-L991 WeakPolarHBondContact O-CG 3.49Å; V987-L991 PolarHBondContact O-N 3.42Å; L991-L1190 HydrophobicContact CD2-CD1 4.04Å; L991-L1190 HydrophobicContact CG-CD1 4.17Å
992N86Confident90.2Very high71 Ų7156.4 Ų56.438%0.3826%0.264SS..SBendtrans-103159.8-175.8-72.9-50.3000113.4L988 F996L988-N992 WeakPolarHBondContact O-CB 3.4Å; L988-N992 PolarHBondContact O-ND2 3.25Å; N992-F996 HydrophobicContact CB-CD1 3.66Å; N992-F996 HydrophobicContact CB-CE1 4.28Å; N992-F996 HydrophobicContact CB-CG 4.45Å
993K82Confident90.3Very high156 Ų15663.1 Ų63.168%0.67829%0.294SS*.  trans-70148.2177.6-62.9-175.7179.2-175.50111.9V995 F996 V997K993-V995 VanDerWaalsContact C-N 3.27Å; K993-V995 PolarHBondContact O-N 2.89Å; K993-V995 VanDerWaalsContact O-N 3.11Å; K993-F996 WeakPolarHBondContact O-CB 3.03Å; K993-F996 PolarHBondContact O-N 3.39Å; K993-V997 PolarHBondContact O-N 2.94Å
994R86.2Confident90.3Very high35 Ų3563.1 Ų63.113%0.13229%0.293CS..Hα-helixtrans-50.2-38.8-179.4-171.5178.8-175119.6-2.2114.3L960 F996 V997 R998 E1085 N1089L960-R994 HydrophobicContact CD2-CG 4.16Å; R994-F996 VanDerWaalsContact C-N 3.3Å; R994-F996 PolarHBondContact O-N 3.42Å; R994-V997 PolarHBondContact O-N 3.31Å; R994-R998 PolarHBondContact O-N 3.05Å; R994-E1085 IonicContact CZ-OE1 3.29Å; R994-E1085 VanDerWaalsContact CZ-OE1 3.24Å; R994-E1085 IonicContact NE-OE1 2.83Å; R994-E1085 PolarHBondContact NE-OE1 3.08Å; R994-E1085 VanDerWaalsContact NE-OE1 3.15Å; R994-E1085 IonicContact NE-OE2 2.7Å; R994-E1085 IonicContact NH2-OE1 2.86Å; R994-E1085 PolarHBondContact NH2-OE1 2.98Å; R994-E1085 IonicContact NH2-OE2 3.89Å; R994-N1089 PolarHBondContact NH2-ND2 3.47Å
995V84.4Confident90.3Very high61 Ų6157.2 Ų57.237%0.3727%0.268SS..Hα-helixtrans-62-37.9179.3-179.80000112.1K993K993-V995 VanDerWaalsContact C-N 3.27Å; K993-V995 PolarHBondContact O-N 2.89Å; K993-V995 VanDerWaalsContact O-N 3.11Å
996F89.1Confident90.2Very high93 Ų9359 Ų5941%0.40828%0.281SS..Hα-helixtrans-70.5-45.8177.3-179-101.8000110.8L988 N992 K993 R994 R998 R999 I1000L988-F996 HydrophobicContact CD2-CE1 4.5Å; L988-F996 HydrophobicContact CG-CE1 4.49Å; N992-F996 HydrophobicContact CB-CD1 3.66Å; N992-F996 HydrophobicContact CB-CE1 4.28Å; N992-F996 HydrophobicContact CB-CG 4.45Å; K993-F996 WeakPolarHBondContact O-CB 3.03Å; K993-F996 PolarHBondContact O-N 3.39Å; R994-F996 VanDerWaalsContact C-N 3.3Å; R994-F996 PolarHBondContact O-N 3.42Å; F996-R998 VanDerWaalsContact C-N 3.3Å; F996-R998 PolarHBondContact O-N 2.69Å; F996-R999 PolarHBondContact O-N 2.89Å; F996-R999 VanDerWaalsContact O-N 3.13Å; F996-I1000 HydrophobicContact CD1-CD1 4.04Å; F996-I1000 HydrophobicContact CE1-CD1 3.35Å; F996-I1000 HydrophobicContact CE2-CD1 3.89Å; F996-I1000 HydrophobicContact CZ-CD1 3.27Å; F996-I1000 HydrophobicContact CZ-CG1 4.49Å; F996-I1000 PolarHBondContact O-N 3.45Å
997V90.5Very high90.2Very high2 Ų261.7 Ų61.71%0.01229%0.291CS..Hα-helixtrans-57.6-42.8177.1-179.50000111.4L960 F989 K993 R994 R999 I1000 W1001L960-V997 HydrophobicContact CD1-CG1 3.83Å; F989-V997 HydrophobicContact CD1-CG1 3.88Å; F989-V997 HydrophobicContact CD1-CG2 4.39Å; F989-V997 HydrophobicContact CE1-CG1 4.46Å; F989-V997 HydrophobicContact CG-CG1 4.34Å; K993-V997 PolarHBondContact O-N 2.94Å; R994-V997 PolarHBondContact O-N 3.31Å; V997-R999 VanDerWaalsContact C-N 3.28Å; V997-R999 PolarHBondContact O-N 3.39Å; V997-I1000 PolarHBondContact O-N 3Å; V997-W1001 HydrophobicContact CG1-CE3 3.77Å; V997-W1001 HydrophobicContact CG1-CZ3 4.1Å; V997-W1001 WeakPolarHBondContact O-CB 3.45Å; V997-W1001 PolarHBondContact O-N 3.38Å
998R90Very high90.2Very high90 Ų9059.6 Ų59.634%0.3428%0.278SS..Hα-helixtrans-56.9-36.9177.8-177.6174.263.2-176.8-2.7113.4R994 F996 F1082R994-R998 PolarHBondContact O-N 3.05Å; F996-R998 VanDerWaalsContact C-N 3.3Å; F996-R998 PolarHBondContact O-N 2.69Å; R998-F1082 HydrophobicContact CB-CD1 4.24Å; R998-F1082 HydrophobicContact CB-CE1 4.27Å; R998-F1082 HydrophobicContact CG-CB 4.1Å; R998-F1082 HydrophobicContact CG-CD1 3.9Å; R998-F1082 HydrophobicContact CG-CE1 4.43Å; R998-F1082 HydrophobicContact CG-CG 3.96Å
999R89.6Confident90.1Very high189 Ų18958.6 Ų58.671%0.71328%0.276SS*.Hα-helixtrans-73.9-38.8179.7-69.6-177.7-177.1170.51.6112F996 V997F996-R999 PolarHBondContact O-N 2.89Å; F996-R999 VanDerWaalsContact O-N 3.13Å; V997-R999 VanDerWaalsContact C-N 3.28Å; V997-R999 PolarHBondContact O-N 3.39Å
1000I91.8Very high90.2Very high35 Ų3563 Ų6318%0.17930%0.299CS..Hα-helixtrans-80.2-22.9-177.2-67.2-178.4000112.3W985 L988 F989 F996 V997 V1002 F1003 Y1004W985-I1000 HydrophobicContact CH2-CG2 4.42Å; W985-I1000 HydrophobicContact CZ3-CG2 3.71Å; L988-I1000 HydrophobicContact CD2-CD1 4.13Å; L988-I1000 HydrophobicContact CD2-CG2 4.17Å; F989-I1000 HydrophobicContact CE1-CG2 4.32Å; F996-I1000 HydrophobicContact CD1-CD1 4.04Å; F996-I1000 HydrophobicContact CE1-CD1 3.35Å; F996-I1000 HydrophobicContact CE2-CD1 3.89Å; F996-I1000 HydrophobicContact CZ-CD1 3.27Å; F996-I1000 HydrophobicContact CZ-CG1 4.49Å; F996-I1000 PolarHBondContact O-N 3.45Å; V997-I1000 PolarHBondContact O-N 3Å; I1000-V1002 VanDerWaalsContact C-N 3.27Å; I1000-V1002 PolarHBondContact O-N 3.49Å; I1000-V1002 VanDerWaalsContact O-N 3.12Å; I1000-F1003 WeakPolarHBondContact O-CB 2.98Å; I1000-F1003 PolarHBondContact O-N 2.79Å; I1000-Y1004 PolarHBondContact O-N 3.46Å
1001W93.4Very high90.2Very high0 Ų063 Ų630%030%0.295CS..Hα-helixtrans-56.4-32.8-174.3-158.1-98.7000115.2L960 T963 F989 V997 F1003 Y1004 V1005 A1075 Q1078 F1082L960-W1001 HydrophobicContact CD1-CH2 4.27Å; L960-W1001 HydrophobicContact CD1-CZ3 3.96Å; T963-W1001 HydrophobicContact CG2-CH2 4.4Å; T963-W1001 HydrophobicContact CG2-CZ2 4.02Å; T963-W1001 VanDerWaalsContact OG1-CH2 3.31Å; T963-W1001 WeakPolarHBondContact OG1-CH2 3.4Å; F989-W1001 HydrophobicContact CD1-CZ3 4.48Å; F989-W1001 AromaticContact CD2-CZ3 3.87Å; F989-W1001 HydrophobicContact CD2-CZ3 3.87Å; F989-W1001 HydrophobicContact CE1-CE3 4.29Å; F989-W1001 HydrophobicContact CE1-CZ3 4.38Å; F989-W1001 HydrophobicContact CE2-CE3 4.32Å; F989-W1001 HydrophobicContact CE2-CH2 4.49Å; F989-W1001 AromaticContact CE2-CZ3 3.75Å; F989-W1001 HydrophobicContact CE2-CZ3 3.75Å; F989-W1001 HydrophobicContact CG-CZ3 4.25Å; F989-W1001 HydrophobicContact CZ-CE3 4.12Å; F989-W1001 HydrophobicContact CZ-CZ3 4.02Å; V997-W1001 HydrophobicContact CG1-CE3 3.77Å; V997-W1001 HydrophobicContact CG1-CZ3 4.1Å; V997-W1001 WeakPolarHBondContact O-CB 3.45Å; V997-W1001 PolarHBondContact O-N 3.38Å; W1001-F1003 VanDerWaalsContact C-N 3.28Å; W1001-F1003 PolarHBondContact O-N 3.03Å; W1001-Y1004 HydrophobicContact CZ2-CD1 4.47Å; W1001-Y1004 WeakPolarHBondContact O-CB 3.49Å; W1001-Y1004 PolarHBondContact O-N 3.28Å; W1001-V1005 WeakPolarHBondContact O-CG2 3.07Å; W1001-V1005 PolarHBondContact O-N 3.29Å; W1001-A1075 HydrophobicContact CZ2-CB 4.14Å; W1001-A1075 PolarHBondContact NE1-O 2.93Å; W1001-Q1078 HydrophobicContact CZ2-CB 4.15Å; W1001-Q1078 HydrophobicContact CZ2-CG 3.95Å; W1001-F1082 HydrophobicContact CB-CD2 4.05Å; W1001-F1082 HydrophobicContact CB-CE2 3.94Å; W1001-F1082 AromaticContact CD1-CD2 3.83Å; W1001-F1082 AromaticContact CD1-CE2 3.95Å; W1001-F1082 HydrophobicContact CD2-CD2 4.41Å; W1001-F1082 AromaticContact CD2-CE2 3.76Å; W1001-F1082 HydrophobicContact CD2-CE2 3.76Å; W1001-F1082 HydrophobicContact CE3-CE2 4.26Å; W1001-F1082 AromaticContact CG-CD2 3.82Å; W1001-F1082 HydrophobicContact CG-CD2 3.82Å; W1001-F1082 AromaticContact CG-CE2 3.6Å; W1001-F1082 HydrophobicContact CG-CE2 3.6Å
1002V91.3Very high90.4Very high57 Ų5758.5 Ų58.535%0.34527%0.271SS..Hα-helixtrans-60.8-41.3177.8-179.90000110.8I1000 Y1004 V1005 I1006 L1079I1000-V1002 VanDerWaalsContact C-N 3.27Å; I1000-V1002 PolarHBondContact O-N 3.49Å; I1000-V1002 VanDerWaalsContact O-N 3.12Å; V1002-Y1004 VanDerWaalsContact C-N 3.31Å; V1002-Y1004 PolarHBondContact O-N 3.28Å; V1002-V1005 PolarHBondContact O-N 2.92Å; V1002-I1006 HydrophobicContact CG1-CD1 4.06Å; V1002-I1006 WeakPolarHBondContact O-CG1 3.46Å; V1002-I1006 PolarHBondContact O-N 2.88Å; V1002-I1006 VanDerWaalsContact O-N 3.13Å; V1002-L1079 HydrophobicContact CG2-CD1 3.81Å
1003F93.1Very high90.7Very high141 Ų14155.9 Ų55.962%0.61826%0.258SS*.Hα-helixtrans-66.4-36.3177.7-58.6-65.5000111.4I1000 W1001 I1006 Y1007I1000-F1003 WeakPolarHBondContact O-CB 2.98Å; I1000-F1003 PolarHBondContact O-N 2.79Å; W1001-F1003 VanDerWaalsContact C-N 3.28Å; W1001-F1003 PolarHBondContact O-N 3.03Å; F1003-I1006 PolarHBondContact O-N 2.79Å; F1003-Y1007 VanDerWaalsContact O-CB 3.29Å; F1003-Y1007 WeakPolarHBondContact O-CB 3.32Å; F1003-Y1007 PolarHBondContact O-N 3.4Å
1004Y93.3Very high91.1Very high1 Ų153 Ų530%0.00425%0.25CC..Hα-helixtrans-65.3-41.7175.6-176-103.7000112.8I967 Q982 W985 F989 I1000 W1001 V1002 Y1007 M1008 V1071 A1075I967-Y1004 HydrophobicContact CD1-CE1 4.23Å; Q982-Y1004 PolarHBondContact OE1-OH 2.92Å; W985-Y1004 HydrophobicContact CB-CE2 4.29Å; W985-Y1004 HydrophobicContact CD2-CD2 4.04Å; W985-Y1004 HydrophobicContact CE3-CD2 4.41Å; W985-Y1004 HydrophobicContact CG-CD2 4.1Å; W985-Y1004 HydrophobicContact CG-CE2 4.09Å; F989-Y1004 HydrophobicContact CE2-CD1 4.49Å; F989-Y1004 HydrophobicContact CE2-CD2 4.09Å; F989-Y1004 HydrophobicContact CE2-CE2 4.29Å; F989-Y1004 HydrophobicContact CE2-CG 4.2Å; F989-Y1004 AromaticContact CZ-CD2 3.96Å; F989-Y1004 HydrophobicContact CZ-CD2 3.96Å; F989-Y1004 AromaticContact CZ-CG 3.94Å; F989-Y1004 HydrophobicContact CZ-CG 3.94Å; I1000-Y1004 PolarHBondContact O-N 3.46Å; W1001-Y1004 HydrophobicContact CZ2-CD1 4.47Å; W1001-Y1004 WeakPolarHBondContact O-CB 3.49Å; W1001-Y1004 PolarHBondContact O-N 3.28Å; V1002-Y1004 VanDerWaalsContact C-N 3.31Å; V1002-Y1004 PolarHBondContact O-N 3.28Å; Y1004-Y1007 HydrophobicContact CD2-CD1 4.2Å; Y1004-Y1007 HydrophobicContact CE2-CD1 4.22Å; Y1004-Y1007 HydrophobicContact CE2-CE1 4.48Å; Y1004-Y1007 WeakPolarHBondContact O-CB 3.47Å; Y1004-Y1007 PolarHBondContact O-N 3.25Å; Y1004-M1008 HydrophobicContact CE1-CG 3.99Å; Y1004-M1008 HydrophobicContact CE2-CG 4.27Å; Y1004-M1008 PolarHBondContact O-N 2.93Å; Y1004-V1071 HydrophobicContact CE1-CG1 4.19Å; Y1004-V1071 WeakPolarHBondContact OH-CG1 3.4Å; Y1004-A1075 HydrophobicContact CD1-CB 4.18Å; Y1004-A1075 HydrophobicContact CE1-CB 4.05Å
1005V93Very high91.3Very high9 Ų951.4 Ų51.46%0.05524%0.244CC..Hα-helixtrans-65.3-41.2176.6-179.60000111.5W1001 V1002 M1008 A1009 L1072 A1075 L1079W1001-V1005 WeakPolarHBondContact O-CG2 3.07Å; W1001-V1005 PolarHBondContact O-N 3.29Å; V1002-V1005 PolarHBondContact O-N 2.92Å; V1005-M1008 PolarHBondContact O-N 3.48Å; V1005-A1009 VanDerWaalsContact O-CB 3.29Å; V1005-A1009 WeakPolarHBondContact O-CB 3.43Å; V1005-A1009 PolarHBondContact O-N 3.42Å; V1005-L1072 HydrophobicContact CG1-CD1 4.47Å; V1005-A1075 HydrophobicContact CG2-CB 4.06Å; V1005-L1079 HydrophobicContact CB-CD2 4.27Å; V1005-L1079 HydrophobicContact CG1-CD2 4.25Å; V1005-L1079 HydrophobicContact CG2-CB 4.1Å; V1005-L1079 HydrophobicContact CG2-CD2 4.06Å
1006I92.1Very high91.7Very high88 Ų8848.6 Ų48.645%0.45123%0.227SC..Hα-helixtrans-64.6-43.7176-67.3169.3000110.5V1002 F1003 M1008 A1009 I1010V1002-I1006 HydrophobicContact CG1-CD1 4.06Å; V1002-I1006 WeakPolarHBondContact O-CG1 3.46Å; V1002-I1006 PolarHBondContact O-N 2.88Å; V1002-I1006 VanDerWaalsContact O-N 3.13Å; F1003-I1006 PolarHBondContact O-N 2.79Å; I1006-M1008 PolarHBondContact O-N 3.38Å; I1006-A1009 PolarHBondContact O-N 3.4Å; I1006-I1010 HydrophobicContact CG2-CD1 3.72Å; I1006-I1010 HydrophobicContact CG2-CG1 4.49Å; I1006-I1010 WeakPolarHBondContact O-CG1 3.41Å; I1006-I1010 PolarHBondContact O-N 2.89Å
1007Y92.9Very high91.7Very high58 Ų5848.4 Ų48.423%0.22723%0.226CC..Hα-helixtrans-54.1-52.1174.3165-104.5000111.2F1003 Y1004 A1009 I1010 L1011F1003-Y1007 VanDerWaalsContact O-CB 3.29Å; F1003-Y1007 WeakPolarHBondContact O-CB 3.32Å; F1003-Y1007 PolarHBondContact O-N 3.4Å; Y1004-Y1007 HydrophobicContact CD2-CD1 4.2Å; Y1004-Y1007 HydrophobicContact CE2-CD1 4.22Å; Y1004-Y1007 HydrophobicContact CE2-CE1 4.48Å; Y1004-Y1007 WeakPolarHBondContact O-CB 3.47Å; Y1004-Y1007 PolarHBondContact O-N 3.25Å; Y1007-A1009 PolarHBondContact O-N 3.35Å; Y1007-I1010 PolarHBondContact O-N 3.47Å; Y1007-L1011 HydrophobicContact CE1-CD2 4.06Å; Y1007-L1011 HydrophobicContact CE2-CD2 4.49Å; Y1007-L1011 WeakPolarHBondContact O-CB 3.29Å; Y1007-L1011 PolarHBondContact O-N 2.82Å
1008M92.6Very high91.5Very high0 Ų050.5 Ų50.50%024%0.24CC..Hα-helixtrans-66.7-36.2178.8-69.6-58.1-63.700113.4Q982 Y1004 V1005 I1006 I1010 L1011 Y1012 D1068 V1071 L1072Q982-M1008 PolarHBondContact NE2-SD 3.41Å; Y1004-M1008 HydrophobicContact CE1-CG 3.99Å; Y1004-M1008 HydrophobicContact CE2-CG 4.27Å; Y1004-M1008 PolarHBondContact O-N 2.93Å; V1005-M1008 PolarHBondContact O-N 3.48Å; I1006-M1008 PolarHBondContact O-N 3.38Å; M1008-I1010 VanDerWaalsContact C-N 3.28Å; M1008-I1010 PolarHBondContact O-N 3.14Å; M1008-L1011 HydrophobicContact CE-CD2 4.47Å; M1008-L1011 PolarHBondContact O-N 3.01Å; M1008-L1011 HydrophobicContact SD-CD2 4.01Å; M1008-Y1012 WeakPolarHBondContact O-CB 3.44Å; M1008-Y1012 PolarHBondContact O-N 3.36Å; M1008-D1068 HydrophobicContact CE-CB 4.06Å; M1008-V1071 HydrophobicContact CE-CB 4.1Å; M1008-V1071 HydrophobicContact CE-CG1 3.92Å; M1008-V1071 HydrophobicContact CG-CG1 4.43Å; M1008-V1071 HydrophobicContact SD-CG1 4.44Å; M1008-L1072 HydrophobicContact CB-CB 4.32Å; M1008-L1072 HydrophobicContact CB-CD1 3.88Å
1009A91.3Very high91.5Very high18 Ų1846.9 Ų46.915%0.14923%0.227CC..Hα-helixtrans-68.1-27.7179.200000113V1005 I1006 Y1007 P1013 L1072V1005-A1009 VanDerWaalsContact O-CB 3.29Å; V1005-A1009 WeakPolarHBondContact O-CB 3.43Å; V1005-A1009 PolarHBondContact O-N 3.42Å; I1006-A1009 PolarHBondContact O-N 3.4Å; Y1007-A1009 PolarHBondContact O-N 3.35Å; A1009-P1013 WeakPolarHBondContact O-CD 3.48Å; A1009-P1013 WeakPolarHBondContact O-CG 3.46Å; A1009-L1072 HydrophobicContact CB-CD1 4.02Å
1010I92.6Very high91.3Very high98 Ų9838.8 Ų38.850%0.50320%0.199SC..Hα-helixtrans-87-39.6174.7-67.4170.7000110.9I1006 Y1007 M1008 Y1012 P1013 L1014I1006-I1010 HydrophobicContact CG2-CD1 3.72Å; I1006-I1010 HydrophobicContact CG2-CG1 4.49Å; I1006-I1010 WeakPolarHBondContact O-CG1 3.41Å; I1006-I1010 PolarHBondContact O-N 2.89Å; Y1007-I1010 PolarHBondContact O-N 3.47Å; M1008-I1010 VanDerWaalsContact C-N 3.28Å; M1008-I1010 PolarHBondContact O-N 3.14Å; I1010-Y1012 PolarHBondContact O-N 3.23Å; I1010-P1013 WeakPolarHBondContact O-CD 3.49Å; I1010-L1014 HydrophobicContact CG2-CD1 3.67Å; I1010-L1014 WeakPolarHBondContact O-CB 3.35Å; I1010-L1014 PolarHBondContact O-N 3.49Å
1011L91.6Very high90.9Very high23 Ų2338 Ų3812%0.1220%0.199CC..Hα-helixtrans-61.7-43.2179.5-175.569.8000111.7L978 Y1007 M1008 L1014 Q1015L978-L1011 HydrophobicContact CD1-CD1 4.38Å; L978-L1011 HydrophobicContact CD2-CD1 4.03Å; Y1007-L1011 HydrophobicContact CE1-CD2 4.06Å; Y1007-L1011 HydrophobicContact CE2-CD2 4.49Å; Y1007-L1011 WeakPolarHBondContact O-CB 3.29Å; Y1007-L1011 PolarHBondContact O-N 2.82Å; M1008-L1011 HydrophobicContact CE-CD2 4.47Å; M1008-L1011 PolarHBondContact O-N 3.01Å; M1008-L1011 HydrophobicContact SD-CD2 4.01Å; L1011-L1014 PolarHBondContact O-N 3.25Å; L1011-Q1015 VanDerWaalsContact O-CB 3.28Å; L1011-Q1015 WeakPolarHBondContact O-CB 3.33Å; L1011-Q1015 PolarHBondContact O-N 2.87Å
1012Y91.9Very high90.4Very high3 Ų341.7 Ų41.71%0.01222%0.218CC..Hα-helixtrans-60.9-49.8-175.6178.5-104.7000113.5V812 M1008 I1010 F1016 L1065 D1068 F1069V812-Y1012 HydrophobicContact CG1-CD1 4.12Å; V812-Y1012 HydrophobicContact CG1-CE1 3.84Å; M1008-Y1012 WeakPolarHBondContact O-CB 3.44Å; M1008-Y1012 PolarHBondContact O-N 3.36Å; I1010-Y1012 PolarHBondContact O-N 3.23Å; Y1012-F1016 PolarHBondContact O-N 3.31Å; Y1012-F1016 VanDerWaalsContact O-N 3.15Å; Y1012-L1065 HydrophobicContact CD2-CD2 4.19Å; Y1012-L1065 HydrophobicContact CE2-CB 4.3Å; Y1012-L1065 HydrophobicContact CE2-CD2 3.99Å; Y1012-L1065 VanDerWaalsContact CE2-O 3.32Å; Y1012-L1065 WeakPolarHBondContact CE2-O 3.17Å; Y1012-D1068 HydrophobicContact CD2-CB 4.3Å; Y1012-F1069 HydrophobicContact CD2-CB 4.44Å; Y1012-F1069 HydrophobicContact CE1-CD2 4.33Å; Y1012-F1069 HydrophobicContact CE2-CB 3.86Å
1013P91.5Very high89.7Confident17 Ų1740.5 Ų40.511%0.1121%0.211CC..Hα-helixtrans-62.4-42170.2-22.833.2000113.7V812 A1009 I1010 Q1015 F1016 F1017V812-P1013 HydrophobicContact CG1-CB 4.49Å; A1009-P1013 WeakPolarHBondContact O-CD 3.48Å; A1009-P1013 WeakPolarHBondContact O-CG 3.46Å; I1010-P1013 WeakPolarHBondContact O-CD 3.49Å; P1013-Q1015 VanDerWaalsContact C-N 3.32Å; P1013-Q1015 PolarHBondContact O-N 3.45Å; P1013-F1016 PolarHBondContact O-N 2.83Å; P1013-F1017 HydrophobicContact CB-CD2 4.48Å; P1013-F1017 HydrophobicContact CB-CE2 4.17Å; P1013-F1017 WeakPolarHBondContact O-CD2 3.21Å; P1013-F1017 WeakPolarHBondContact O-CG 3.18Å; P1013-F1017 PolarHBondContact O-N 3.44Å
1014L90.8Very high88.6Confident94 Ų9434.5 Ų34.549%0.49219%0.187SC..Hα-helixtrans-61.6-38.7179.4-91.6168.8000112.9I1010 L1011 F1017 S1018I1010-L1014 HydrophobicContact CG2-CD1 3.67Å; I1010-L1014 WeakPolarHBondContact O-CB 3.35Å; I1010-L1014 PolarHBondContact O-N 3.49Å; L1011-L1014 PolarHBondContact O-N 3.25Å; L1014-F1017 PolarHBondContact O-N 3.29Å; L1014-S1018 WeakPolarHBondContact O-CB 3.26Å; L1014-S1018 PolarHBondContact O-N 3.42Å; L1014-S1018 PolarHBondContact O-OG 3.3Å
1015Q91.2Very high87.4Confident3 Ų337.8 Ų37.81%0.01421%0.205CC..Hα-helixtrans-68.5-42.5176.2-172.2176.3-3.600110.8L1011 P1013 F1017 S1018 Y1019 L1065 D1068L1011-Q1015 VanDerWaalsContact O-CB 3.28Å; L1011-Q1015 WeakPolarHBondContact O-CB 3.33Å; L1011-Q1015 PolarHBondContact O-N 2.87Å; P1013-Q1015 VanDerWaalsContact C-N 3.32Å; P1013-Q1015 PolarHBondContact O-N 3.45Å; Q1015-F1017 VanDerWaalsContact C-N 3.32Å; Q1015-F1017 PolarHBondContact O-N 2.82Å; Q1015-S1018 PolarHBondContact O-N 3.33Å; Q1015-Y1019 HydrophobicContact CG-CD1 4.42Å; Q1015-Y1019 HydrophobicContact CG-CE1 3.8Å; Q1015-Y1019 HydrophobicContact CG-CE2 4.02Å; Q1015-Y1019 PolarHBondContact NE2-OH 3.43Å; Q1015-Y1019 WeakPolarHBondContact O-CD1 3.5Å; Q1015-Y1019 VanDerWaalsContact O-CG 3.3Å; Q1015-Y1019 PolarHBondContact O-N 3.14Å; Q1015-L1065 HydrophobicContact CB-CD2 4.31Å; Q1015-L1065 HydrophobicContact CG-CD2 4.04Å; Q1015-D1068 VanDerWaalsContact CD-OD2 3.25Å; Q1015-D1068 PolarHBondContact NE2-OD2 2.89Å; Q1015-D1068 PolarHBondContact OE1-OD2 3.49Å
1016F91.4Very high86.4Confident2 Ų239.9 Ų39.91%0.00922%0.219CC..Hα-helixtrans-60.8-41.4173.2-168.5-93.2000111.8I800 I804 I809 V812 Y1012 P1013 Y1019 V1020 L1065I800-F1016 HydrophobicContact CG2-CD2 4.17Å; I800-F1016 HydrophobicContact CG2-CE2 3.39Å; I800-F1016 HydrophobicContact CG2-CZ 3.6Å; I804-F1016 HydrophobicContact CB-CE2 4.47Å; I804-F1016 HydrophobicContact CG1-CE2 4.38Å; I804-F1016 HydrophobicContact CG2-CE2 4.15Å; I804-F1016 HydrophobicContact CG2-CZ 4.32Å; I809-F1016 HydrophobicContact CG1-CD1 4.33Å; I809-F1016 HydrophobicContact CG1-CE1 4.02Å; V812-F1016 HydrophobicContact CG1-CB 4.34Å; V812-F1016 HydrophobicContact CG1-CG 4.46Å; V812-F1016 HydrophobicContact CG2-CD1 3.85Å; V812-F1016 HydrophobicContact CG2-CD2 4.11Å; V812-F1016 HydrophobicContact CG2-CE1 3.94Å; V812-F1016 HydrophobicContact CG2-CE2 4.22Å; V812-F1016 HydrophobicContact CG2-CG 3.93Å; V812-F1016 HydrophobicContact CG2-CZ 4.13Å; Y1012-F1016 PolarHBondContact O-N 3.31Å; Y1012-F1016 VanDerWaalsContact O-N 3.15Å; P1013-F1016 PolarHBondContact O-N 2.83Å; F1016-Y1019 PolarHBondContact O-N 3.25Å; F1016-V1020 HydrophobicContact CD1-CG2 4.05Å; F1016-V1020 HydrophobicContact CE1-CG2 3.71Å; F1016-V1020 HydrophobicContact CZ-CG2 4.21Å; F1016-V1020 WeakPolarHBondContact O-CG2 3.42Å; F1016-V1020 PolarHBondContact O-N 2.99Å; F1016-L1065 HydrophobicContact CB-CD2 4.46Å; F1016-L1065 HydrophobicContact CD2-CD1 3.91Å
1017F90.2Very high85.5Confident88 Ų8838.3 Ų38.339%0.38622%0.216SC..Hα-helixtrans-61.9-42.8173.8-71.7-52.9000112.7I809 I813 P1013 L1014 Q1015 Y1019 V1020 G1021I809-F1017 HydrophobicContact CB-CE1 4.31Å; I809-F1017 HydrophobicContact CD1-CD1 4.18Å; I809-F1017 HydrophobicContact CD1-CE1 3.99Å; I809-F1017 HydrophobicContact CG1-CD1 4.33Å; I809-F1017 HydrophobicContact CG1-CE1 3.99Å; I809-F1017 HydrophobicContact CG2-CE1 3.43Å; I809-F1017 VanDerWaalsContact CG2-CE1 3.43Å; I809-F1017 HydrophobicContact CG2-CZ 3.9Å; I813-F1017 HydrophobicContact CD1-CZ 4.2Å; P1013-F1017 HydrophobicContact CB-CD2 4.48Å; P1013-F1017 HydrophobicContact CB-CE2 4.17Å; P1013-F1017 WeakPolarHBondContact O-CD2 3.21Å; P1013-F1017 WeakPolarHBondContact O-CG 3.18Å; P1013-F1017 PolarHBondContact O-N 3.44Å; L1014-F1017 PolarHBondContact O-N 3.29Å; Q1015-F1017 VanDerWaalsContact C-N 3.32Å; Q1015-F1017 PolarHBondContact O-N 2.82Å; F1017-Y1019 VanDerWaalsContact C-N 3.29Å; F1017-Y1019 PolarHBondContact O-N 3.15Å; F1017-V1020 PolarHBondContact O-N 3.09Å; F1017-G1021 PolarHBondContact O-N 2.8Å; F1017-G1021 VanDerWaalsContact O-N 3.08Å
1018S86.6Confident84.6Confident46 Ų4640.1 Ų40.132%0.32223%0.228SC..Hα-helixtrans-64.9-35.2178.3-55.40000111.4L1014 Q1015 S1054L1014-S1018 WeakPolarHBondContact O-CB 3.26Å; L1014-S1018 PolarHBondContact O-N 3.42Å; L1014-S1018 PolarHBondContact O-OG 3.3Å; Q1015-S1018 PolarHBondContact O-N 3.33Å; S1018-S1054 WeakPolarHBondContact O-CB 3.34Å
1019Y88.6Confident83.7Confident15 Ų1543.5 Ų43.56%0.05924%0.244CC..Hα-helixtrans-74.6-35.2178.7-67.81.4000113I804 Q1015 F1016 F1017 G1021 N1052 W1060 L1065I804-Y1019 HydrophobicContact CD1-CD2 4.37Å; Q1015-Y1019 HydrophobicContact CG-CD1 4.42Å; Q1015-Y1019 HydrophobicContact CG-CE1 3.8Å; Q1015-Y1019 HydrophobicContact CG-CE2 4.02Å; Q1015-Y1019 PolarHBondContact NE2-OH 3.43Å; Q1015-Y1019 WeakPolarHBondContact O-CD1 3.5Å; Q1015-Y1019 VanDerWaalsContact O-CG 3.3Å; Q1015-Y1019 PolarHBondContact O-N 3.14Å; F1016-Y1019 PolarHBondContact O-N 3.25Å; F1017-Y1019 VanDerWaalsContact C-N 3.29Å; F1017-Y1019 PolarHBondContact O-N 3.15Å; Y1019-G1021 VanDerWaalsContact C-N 3.34Å; Y1019-N1052 VanDerWaalsContact CE1-OD1 3.27Å; Y1019-N1052 WeakPolarHBondContact CE1-OD1 3.34Å; Y1019-N1052 PolarHBondContact OH-OD1 3.1Å; Y1019-W1060 HydrophobicContact CD1-CB 4.21Å; Y1019-W1060 AromaticContact CD1-CD1 3.81Å; Y1019-W1060 AromaticContact CD1-CD2 3.53Å; Y1019-W1060 HydrophobicContact CD1-CD2 3.53Å; Y1019-W1060 AromaticContact CD1-CE2 3.77Å; Y1019-W1060 HydrophobicContact CD1-CE3 4.05Å; Y1019-W1060 AromaticContact CD1-CG 3.58Å; Y1019-W1060 HydrophobicContact CD1-CG 3.58Å; Y1019-W1060 HydrophobicContact CD1-CZ2 4.46Å; Y1019-W1060 AromaticContact CD1-NE1 3.91Å; Y1019-W1060 HydrophobicContact CD2-CB 3.52Å; Y1019-W1060 HydrophobicContact CD2-CD2 4.44Å; Y1019-W1060 AromaticContact CD2-CG 3.82Å; Y1019-W1060 HydrophobicContact CD2-CG 3.82Å; Y1019-W1060 HydrophobicContact CE1-CB 4.44Å; Y1019-W1060 AromaticContact CE1-CD2 3.58Å; Y1019-W1060 HydrophobicContact CE1-CD2 3.58Å; Y1019-W1060 AromaticContact CE1-CE3 3.58Å; Y1019-W1060 HydrophobicContact CE1-CE3 3.58Å; Y1019-W1060 AromaticContact CE1-CG 3.97Å; Y1019-W1060 HydrophobicContact CE1-CG 3.97Å; Y1019-W1060 HydrophobicContact CE1-CZ3 4.09Å; Y1019-W1060 HydrophobicContact CE2-CB 3.76Å; Y1019-W1060 HydrophobicContact CE2-CD2 4.45Å; Y1019-W1060 HydrophobicContact CE2-CG 4.15Å; Y1019-W1060 HydrophobicContact CG-CB 3.77Å; Y1019-W1060 AromaticContact CG-CD1 3.69Å; Y1019-W1060 HydrophobicContact CG-CD2 4.01Å; Y1019-W1060 AromaticContact CG-CG 3.52Å; Y1019-W1060 HydrophobicContact CG-CG 3.52Å; Y1019-W1060 AromaticContact CZ-CE3 3.84Å; Y1019-L1065 HydrophobicContact CD2-CD1 3.72Å; Y1019-L1065 HydrophobicContact CD2-CD2 4.46Å; Y1019-L1065 HydrophobicContact CD2-CG 4.01Å; Y1019-L1065 HydrophobicContact CE2-CD1 4.03Å; Y1019-L1065 HydrophobicContact CE2-CD2 4.34Å; Y1019-L1065 HydrophobicContact CE2-CG 3.82Å
1020V87.1Confident83.1Confident19 Ų1943.5 Ų43.512%0.11524%0.24CC..Hα-helixtrans-66.8-37.9173.4172.40000111.1I804 A806 W877 F1016 F1017I804-V1020 HydrophobicContact CG2-CG2 3.71Å; A806-V1020 HydrophobicContact CB-CG1 4.44Å; W877-V1020 HydrophobicContact CZ2-CG1 4.02Å; W877-V1020 PolarHBondContact NE1-O 3.14Å; F1016-V1020 HydrophobicContact CD1-CG2 4.05Å; F1016-V1020 HydrophobicContact CE1-CG2 3.71Å; F1016-V1020 HydrophobicContact CZ-CG2 4.21Å; F1016-V1020 WeakPolarHBondContact O-CG2 3.42Å; F1016-V1020 PolarHBondContact O-N 2.99Å; F1017-V1020 PolarHBondContact O-N 3.09Å
1021G82.7Confident82.6Confident18 Ų1842.7 Ų42.719%0.18624%0.241CC..  trans65.1-172.3177.400000114.6F1017 Y1019 Y1030F1017-G1021 PolarHBondContact O-N 2.8Å; F1017-G1021 VanDerWaalsContact O-N 3.08Å; Y1019-G1021 VanDerWaalsContact C-N 3.34Å; G1021-Y1030 VanDerWaalsContact CA-OH 3.26Å; G1021-Y1030 WeakPolarHBondContact CA-OH 3.49Å
1022L82.3Confident82.1Confident78 Ų7844.7 Ų44.741%0.40825%0.247SC..SBendtrans-79.1153.2171-68.1172.1000110.5Y1030 Y1056L1022-Y1030 HydrophobicContact CB-CE1 4.17Å; L1022-Y1030 HydrophobicContact CD1-CD1 4.23Å; L1022-Y1030 HydrophobicContact CD1-CE1 3.86Å; L1022-Y1030 HydrophobicContact CG-CE1 3.96Å; L1022-Y1030 PolarHBondContact N-OH 3.24Å; L1022-Y1056 WeakPolarHBondContact O-CE1 3.4Å
1023P77.6Confident81.3Confident31 Ų3145.8 Ų45.820%0.20126%0.256CS..  trans-66.9124.3177.625.1-32.1000110.7W877 D1025 S1026W877-P1023 HydrophobicContact CD2-CB 4.06Å; W877-P1023 HydrophobicContact CE3-CB 4.38Å; W877-P1023 HydrophobicContact CG-CB 4.27Å; P1023-D1025 VanDerWaalsContact C-N 3.3Å; P1023-D1025 PolarHBondContact O-N 2.97Å; P1023-S1026 WeakPolarHBondContact O-CB 3.46Å; P1023-S1026 PolarHBondContact O-N 2.97Å; P1023-S1026 VanDerWaalsContact O-N 3.08Å; P1023-S1026 PolarHBondContact O-OG 3.05Å
1024P70Confident80.7Confident16 Ų1652 Ų5210%0.10428%0.278CS..G310 helixtrans-65.4-29.4-174.622.7-30.9000113.6I872 S1026 C1027 Y1056I872-P1024 HydrophobicContact CB-CG 3.97Å; I872-P1024 VanDerWaalsContact O-CG 3.3Å; I872-P1024 WeakPolarHBondContact O-CG 3.33Å; P1024-S1026 PolarHBondContact O-N 3.36Å; P1024-C1027 PolarHBondContact O-N 3.19Å; P1024-Y1056 HydrophobicContact CB-CD1 3.91Å; P1024-Y1056 HydrophobicContact CB-CE1 4.05Å
1025D67.7Low79.9Confident70 Ų7058 Ų5837%0.37429%0.294SS..G310 helixtrans-58.9-16.4173.4-83.8-15.9000113.5S873 M874 P1023 C1027S873-D1025 WeakPolarHBondContact CA-OD2 3.5Å; M874-D1025 PolarHBondContact N-OD2 3.3Å; P1023-D1025 VanDerWaalsContact C-N 3.3Å; P1023-D1025 PolarHBondContact O-N 2.97Å; D1025-C1027 VanDerWaalsContact C-N 3.28Å; D1025-C1027 PolarHBondContact O-N 3.47Å
1026S71.5Confident79Confident52 Ų5258.9 Ų58.936%0.36430%0.299SS..G310 helixtrans-76.9-9.2174.567.20000114.3P1023 P1024 I1028P1023-S1026 WeakPolarHBondContact O-CB 3.46Å; P1023-S1026 PolarHBondContact O-N 2.97Å; P1023-S1026 VanDerWaalsContact O-N 3.08Å; P1023-S1026 PolarHBondContact O-OG 3.05Å; P1024-S1026 PolarHBondContact O-N 3.36Å; S1026-I1028 PolarHBondContact O-N 3.43Å; S1026-I1028 VanDerWaalsContact O-N 3.1Å
1027C72.5Confident77.8Confident56 Ų5663.4 Ų63.438%0.37833%0.328SS..  trans53.324.2-179.3-68.70000115.7C867 P1024 D1025C867-C1027 HydrophobicContact CB-CB 4.15Å; C867-C1027 WeakPolarHBondContact CB-SG 3.19Å; C867-C1027 WeakPolarHBondContact SG-CB 3.37Å; C867-C1027 CovalentContact SG-SG 2.01Å; C867-C1027 PolarHBondContact SG-SG 2.9Å; P1024-C1027 PolarHBondContact O-N 3.19Å; D1025-C1027 VanDerWaalsContact C-N 3.28Å; D1025-C1027 PolarHBondContact O-N 3.47Å
1028I75.6Confident77Confident95 Ų9563.7 Ų63.749%0.48734%0.341SS..  trans-89.9110.4178.8-62.6166.7000109S1026 Y1056S1026-I1028 PolarHBondContact O-N 3.43Å; S1026-I1028 VanDerWaalsContact O-N 3.1Å; I1028-Y1056 WeakPolarHBondContact O-CE2 3.27Å; I1028-Y1056 PolarHBondContact O-OH 3.36Å
1029E72.8Confident76.4Confident71 Ų7165.9 Ų65.933%0.33234%0.343SS..  trans-66.2140.2171.4-64.8-16615700111.2H869 Y1034H869-E1029 IonicContact CD2-OE1 3.44Å; H869-E1029 IonicContact CE1-OE1 3.05Å; H869-E1029 IonicContact NE2-OE1 3.76Å; H869-E1029 PolarHBondContact NE2-OE1 3.42Å; E1029-Y1034 HydrophobicContact CB-CE2 4.22Å; E1029-Y1034 PolarHBondContact OE2-OH 3.49Å
1030Y78.7Confident75.8Confident18 Ų1867.3 Ų67.37%0.07136%0.356CS..  trans-66.7144177.5-68.3-72.1000111.5G1021 L1022 W1032 S1033 S1054 Y1056G1021-Y1030 VanDerWaalsContact CA-OH 3.26Å; G1021-Y1030 WeakPolarHBondContact CA-OH 3.49Å; L1022-Y1030 HydrophobicContact CB-CE1 4.17Å; L1022-Y1030 HydrophobicContact CD1-CD1 4.23Å; L1022-Y1030 HydrophobicContact CD1-CE1 3.86Å; L1022-Y1030 HydrophobicContact CG-CE1 3.96Å; L1022-Y1030 PolarHBondContact N-OH 3.24Å; Y1030-W1032 AromaticContact CD1-CH2 3.64Å; Y1030-W1032 HydrophobicContact CD1-CH2 3.64Å; Y1030-W1032 AromaticContact CD1-CZ2 3.4Å; Y1030-W1032 HydrophobicContact CD1-CZ2 3.4Å; Y1030-W1032 VanDerWaalsContact CD1-CZ2 3.4Å; Y1030-W1032 HydrophobicContact CD2-CZ2 4.01Å; Y1030-W1032 HydrophobicContact CE1-CH2 4.35Å; Y1030-W1032 HydrophobicContact CE1-CZ2 4.16Å; Y1030-W1032 AromaticContact CG-CE2 3.77Å; Y1030-W1032 HydrophobicContact CG-CH2 4.02Å; Y1030-W1032 AromaticContact CG-CZ2 3.32Å; Y1030-W1032 HydrophobicContact CG-CZ2 3.32Å; Y1030-W1032 PolarHBondContact O-N 3.15Å; Y1030-S1033 WeakPolarHBondContact O-CB 3.27Å; Y1030-S1033 PolarHBondContact O-N 2.96Å; Y1030-S1033 PolarHBondContact O-OG 3.43Å; Y1030-S1054 WeakPolarHBondContact CD1-OG 3.41Å; Y1030-S1054 WeakPolarHBondContact CD2-O 3.35Å; Y1030-S1054 WeakPolarHBondContact CE1-OG 3.26Å; Y1030-S1054 WeakPolarHBondContact CE2-O 3.29Å; Y1030-Y1056 AromaticContact CD2-CD2 3.87Å; Y1030-Y1056 HydrophobicContact CD2-CD2 3.87Å; Y1030-Y1056 AromaticContact CD2-CE2 3.62Å; Y1030-Y1056 HydrophobicContact CD2-CE2 3.62Å; Y1030-Y1056 HydrophobicContact CE2-CD1 4.01Å; Y1030-Y1056 AromaticContact CE2-CD2 3.63Å; Y1030-Y1056 HydrophobicContact CE2-CD2 3.63Å; Y1030-Y1056 AromaticContact CE2-CE1 3.83Å; Y1030-Y1056 HydrophobicContact CE2-CE1 3.83Å; Y1030-Y1056 AromaticContact CE2-CE2 3.43Å; Y1030-Y1056 HydrophobicContact CE2-CE2 3.43Å; Y1030-Y1056 VanDerWaalsContact CE2-CE2 3.43Å; Y1030-Y1056 AromaticContact CE2-CG 3.92Å; Y1030-Y1056 HydrophobicContact CE2-CG 3.92Å; Y1030-Y1056 AromaticContact CE2-CZ 3.54Å; Y1030-Y1056 HydrophobicContact CG-CE2 4.45Å; Y1030-Y1056 AromaticContact CZ-CE1 3.96Å; Y1030-Y1056 AromaticContact CZ-CZ 3.78Å
1031P82.9Confident75.5Confident81 Ų8171.8 Ų71.853%0.52638%0.379SS..THydrogen-bonded Turntrans-56.3-30.4-174.3-26.233.5000115.4S1033 Y1034P1031-S1033 VanDerWaalsContact C-N 3.29Å; P1031-S1033 PolarHBondContact O-N 2.89Å; P1031-Y1034 PolarHBondContact O-N 2.66Å
1032W81.1Confident75.5Confident65 Ų6572.8 Ų72.825%0.24638%0.38CS..Hα-helixtrans-74.2-13.7-179.847.680.5000114.3Y1030 Y1034 W1035 I1036 L1053 S1054Y1030-W1032 AromaticContact CD1-CH2 3.64Å; Y1030-W1032 HydrophobicContact CD1-CH2 3.64Å; Y1030-W1032 AromaticContact CD1-CZ2 3.4Å; Y1030-W1032 HydrophobicContact CD1-CZ2 3.4Å; Y1030-W1032 VanDerWaalsContact CD1-CZ2 3.4Å; Y1030-W1032 HydrophobicContact CD2-CZ2 4.01Å; Y1030-W1032 HydrophobicContact CE1-CH2 4.35Å; Y1030-W1032 HydrophobicContact CE1-CZ2 4.16Å; Y1030-W1032 AromaticContact CG-CE2 3.77Å; Y1030-W1032 HydrophobicContact CG-CH2 4.02Å; Y1030-W1032 AromaticContact CG-CZ2 3.32Å; Y1030-W1032 HydrophobicContact CG-CZ2 3.32Å; Y1030-W1032 PolarHBondContact O-N 3.15Å; W1032-Y1034 PolarHBondContact O-N 2.74Å; W1032-W1035 PolarHBondContact O-N 2.98Å; W1032-I1036 HydrophobicContact CB-CD1 4.36Å; W1032-I1036 PolarHBondContact O-N 3.49Å; W1032-L1053 HydrophobicContact CB-CD1 4.11Å; W1032-L1053 HydrophobicContact CD2-CB 4.06Å; W1032-L1053 HydrophobicContact CD2-CD1 4.13Å; W1032-L1053 HydrophobicContact CD2-CD2 4.2Å; W1032-L1053 HydrophobicContact CD2-CG 4.37Å; W1032-L1053 HydrophobicContact CE3-CD2 3.99Å; W1032-L1053 HydrophobicContact CG-CB 4.39Å; W1032-L1053 HydrophobicContact CG-CD1 3.9Å; W1032-L1053 HydrophobicContact CZ2-CB 4.17Å; W1032-L1053 HydrophobicContact CZ3-CD2 4.22Å; W1032-S1054 VanDerWaalsContact CE2-O 3.26Å; W1032-S1054 VanDerWaalsContact CH2-OG 3.22Å; W1032-S1054 WeakPolarHBondContact CH2-OG 3.31Å; W1032-S1054 VanDerWaalsContact CZ2-N 3.31Å; W1032-S1054 WeakPolarHBondContact CZ2-O 3.17Å; W1032-S1054 WeakPolarHBondContact CZ2-OG 3.24Å; W1032-S1054 PolarHBondContact NE1-O 3.39Å
1033S75Confident75.5Confident27 Ų2769.2 Ų69.219%0.18936%0.362CS..Hα-helixtrans-59.4-33.6172.167.10000111.5Y1030 P1031 R1044Y1030-S1033 WeakPolarHBondContact O-CB 3.27Å; Y1030-S1033 PolarHBondContact O-N 2.96Å; Y1030-S1033 PolarHBondContact O-OG 3.43Å; P1031-S1033 VanDerWaalsContact C-N 3.29Å; P1031-S1033 PolarHBondContact O-N 2.89Å; S1033-R1044 PolarHBondContact O-NH1 3.33Å
1034Y78.3Confident75.8Confident147 Ų14771.6 Ų71.658%0.57637%0.367SS*.Hα-helixtrans-88.8-27.2178.3-56.4-68.5000114E1029 P1031 W1032 I1036 P1037E1029-Y1034 HydrophobicContact CB-CE2 4.22Å; E1029-Y1034 PolarHBondContact OE2-OH 3.49Å; P1031-Y1034 PolarHBondContact O-N 2.66Å; W1032-Y1034 PolarHBondContact O-N 2.74Å; Y1034-I1036 VanDerWaalsContact C-N 3.32Å; Y1034-P1037 VanDerWaalsContact O-CD 3.31Å; Y1034-P1037 WeakPolarHBondContact O-CD 3.3Å
1035W73.8Confident76.6Confident219 Ų21972.7 Ų72.783%0.8337%0.37SS*.Hα-helixtrans-78.4-17.7-176.3-73.122.4000113.1W1032 P1037W1032-W1035 PolarHBondContact O-N 2.98Å; W1035-P1037 VanDerWaalsContact O-CD 3.28Å; W1035-P1037 WeakPolarHBondContact O-CD 3.38Å
1036I73.4Confident77.5Confident22 Ų2269.4 Ų69.411%0.11335%0.353CS..  trans-116.652.4-177.4-47.4173.8000111.3W1032 Y1034 Y1039 R1044 L1047W1032-I1036 HydrophobicContact CB-CD1 4.36Å; W1032-I1036 PolarHBondContact O-N 3.49Å; Y1034-I1036 VanDerWaalsContact C-N 3.32Å; I1036-Y1039 HydrophobicContact CG2-CD2 3.86Å; I1036-Y1039 HydrophobicContact CG2-CE2 4.36Å; I1036-R1044 HydrophobicContact CB-CG 4.26Å; I1036-R1044 HydrophobicContact CG2-CG 4.1Å; I1036-R1044 WeakPolarHBondContact O-CD 3.39Å; I1036-L1047 HydrophobicContact CD1-CD2 4.33Å; I1036-L1047 HydrophobicContact CG2-CD2 3.65Å
1037P65.7Low78.3Confident97 Ų9768.1 Ų68.163%0.6334%0.341SS*.THydrogen-bonded Turntrans-87.5-8-172.234.8-33000114Y1034 W1035 Y1039Y1034-P1037 VanDerWaalsContact O-CD 3.31Å; Y1034-P1037 WeakPolarHBondContact O-CD 3.3Å; W1035-P1037 VanDerWaalsContact O-CD 3.28Å; W1035-P1037 WeakPolarHBondContact O-CD 3.38Å; P1037-Y1039 VanDerWaalsContact C-N 3.32Å; P1037-Y1039 PolarHBondContact O-N 3.07Å
1038S72.1Confident79Confident94 Ų9465.9 Ų65.966%0.65733%0.326SS*.THydrogen-bonded Turntrans-868.3-170.986.50000115.5
1039Y74.8Confident79.6Confident92 Ų9261.5 Ų61.536%0.36130%0.304SS..SBendtrans-125.4157-174.4-59.1-75000110.6I1036 P1037 L1047 F1206I1036-Y1039 HydrophobicContact CG2-CD2 3.86Å; I1036-Y1039 HydrophobicContact CG2-CE2 4.36Å; P1037-Y1039 VanDerWaalsContact C-N 3.32Å; P1037-Y1039 PolarHBondContact O-N 3.07Å; Y1039-L1047 HydrophobicContact CE2-CD2 4.47Å; Y1039-F1206 HydrophobicContact CE1-CD1 4.35Å; Y1039-F1206 AromaticContact CE1-CE1 3.7Å; Y1039-F1206 HydrophobicContact CE1-CE1 3.7Å; Y1039-F1206 HydrophobicContact CE1-CZ 4.49Å; Y1039-F1206 AromaticContact CZ-CE1 3.85Å; Y1039-F1206 WeakPolarHBondContact OH-CE1 3.41Å
1040S76.8Confident80.3Confident46 Ų4658.3 Ų58.332%0.32229%0.289SS..  trans-5815517358.60000110.9D1042 A1043 R1044S1040-D1042 PolarHBondContact O-N 3.24Å; S1040-A1043 PolarHBondContact O-N 2.95Å; S1040-A1043 WeakPolarHBondContact OG-CB 3.49Å; S1040-R1044 PolarHBondContact O-N 3.33Å
1041D79.9Confident80.6Confident112 Ų11261.2 Ų61.260%0.59931%0.305SS*.Hα-helixtrans-55.3-40.3-175.8-75.7-41.8000112.6R1044 F1045D1041-R1044 PolarHBondContact O-N 3.46Å; D1041-R1044 IonicContact OD1-CZ 3.47Å; D1041-R1044 IonicContact OD1-NE 3.15Å; D1041-R1044 IonicContact OD1-NH2 2.65Å; D1041-R1044 PolarHBondContact OD1-NH2 2.98Å; D1041-F1045 WeakPolarHBondContact O-CB 3.49Å; D1041-F1045 PolarHBondContact O-N 3.35Å
1042D82.9Confident80.8Confident39 Ų3958.2 Ų58.221%0.20929%0.285CS..Hα-helixtrans-66.1-40.9176.1-68.8-36.5000112.1S1040 F1045 N1046 H1237 L1239S1040-D1042 PolarHBondContact O-N 3.24Å; D1042-F1045 PolarHBondContact O-N 3.09Å; D1042-N1046 WeakPolarHBondContact O-CB 3.45Å; D1042-N1046 PolarHBondContact O-N 3Å; D1042-N1046 PolarHBondContact O-OD1 2.98Å; D1042-H1237 HydrophobicContact CB-CB 4.1Å; D1042-H1237 IonicContact OD1-CG 3.09Å; D1042-H1237 IonicContact OD1-ND1 3.31Å; D1042-H1237 PolarHBondContact OD1-ND1 2.95Å; D1042-L1239 HydrophobicContact CB-CD2 4.27Å
1043A81.7Confident81Confident4 Ų457.3 Ų57.33%0.03329%0.285CS..Hα-helixtrans-68.4-37.7176.500000112S1040 N1046 L1047 V1205 L1239S1040-A1043 PolarHBondContact O-N 2.95Å; S1040-A1043 WeakPolarHBondContact OG-CB 3.49Å; A1043-N1046 PolarHBondContact O-N 3.18Å; A1043-L1047 VanDerWaalsContact O-CB 3.32Å; A1043-L1047 WeakPolarHBondContact O-CB 3.12Å; A1043-L1047 PolarHBondContact O-N 2.97Å; A1043-V1205 HydrophobicContact CB-CG1 4.49Å; A1043-L1239 HydrophobicContact CB-CD2 3.9Å
1044R84.6Confident81.5Confident80 Ų8056.7 Ų56.730%0.30228%0.28SS..Hα-helixtrans-64.2-43.7174.3-177.7173.263.4160.7-7.2110.8S1033 I1036 S1040 D1041 L1047 S1048S1033-R1044 PolarHBondContact O-NH1 3.33Å; I1036-R1044 HydrophobicContact CB-CG 4.26Å; I1036-R1044 HydrophobicContact CG2-CG 4.1Å; I1036-R1044 WeakPolarHBondContact O-CD 3.39Å; S1040-R1044 PolarHBondContact O-N 3.33Å; D1041-R1044 PolarHBondContact O-N 3.46Å; D1041-R1044 IonicContact OD1-CZ 3.47Å; D1041-R1044 IonicContact OD1-NE 3.15Å; D1041-R1044 IonicContact OD1-NH2 2.65Å; D1041-R1044 PolarHBondContact OD1-NH2 2.98Å; R1044-L1047 PolarHBondContact O-N 3.43Å; R1044-S1048 WeakPolarHBondContact O-CB 3.19Å; R1044-S1048 PolarHBondContact O-N 3.08Å; R1044-S1048 PolarHBondContact O-OG 3.46Å; R1044-S1048 VanDerWaalsContact O-OG 3.08Å
1045F86.2Confident81.5Confident40 Ų4051.3 Ų51.318%0.17526%0.261CS..Hα-helixtrans-58.8-53.8173.4-179.2-91.5000111.1D1041 D1042 L1047 S1048 Y1049 I1055 V1058 H1237D1041-F1045 WeakPolarHBondContact O-CB 3.49Å; D1041-F1045 PolarHBondContact O-N 3.35Å; D1042-F1045 PolarHBondContact O-N 3.09Å; F1045-L1047 VanDerWaalsContact C-N 3.31Å; F1045-L1047 PolarHBondContact O-N 3.32Å; F1045-S1048 WeakPolarHBondContact CA-OG 3.38Å; F1045-S1048 PolarHBondContact O-N 3.45Å; F1045-S1048 VanDerWaalsContact O-N 3.13Å; F1045-S1048 PolarHBondContact O-OG 3.03Å; F1045-Y1049 WeakPolarHBondContact O-CB 3.37Å; F1045-Y1049 PolarHBondContact O-N 3.28Å; F1045-I1055 HydrophobicContact CD2-CD1 4.46Å; F1045-I1055 HydrophobicContact CD2-CG2 4.47Å; F1045-I1055 HydrophobicContact CE2-CD1 4.34Å; F1045-I1055 HydrophobicContact CE2-CG2 4.3Å; F1045-V1058 HydrophobicContact CE2-CG2 3.44Å; F1045-V1058 VanDerWaalsContact CE2-CG2 3.44Å; F1045-V1058 HydrophobicContact CZ-CG2 3.64Å; F1045-H1237 HydrophobicContact CD1-CB 4.47Å; F1045-H1237 AromaticContact CD1-CD2 3.59Å; F1045-H1237 AromaticContact CD1-CE1 3.95Å; F1045-H1237 AromaticContact CD1-CG 3.78Å; F1045-H1237 AromaticContact CD1-NE2 3.74Å; F1045-H1237 AromaticContact CE1-CD2 3.43Å; F1045-H1237 VanDerWaalsContact CE1-CD2 3.43Å; F1045-H1237 WeakPolarHBondContact CE1-CD2 3.48Å; F1045-H1237 AromaticContact CE1-NE2 3.46Å; F1045-H1237 WeakPolarHBondContact CE1-NE2 3.5Å; F1045-H1237 AromaticContact CZ-NE2 3.75Å
1046N88.2Confident81.8Confident1 Ų142.6 Ų42.61%0.00523%0.228CC..Hα-helixtrans-56.9-43.4179.5-71-5.5000112.3D1042 A1043 Y1049 L1050 C1204 V1205 C1236 H1237D1042-N1046 WeakPolarHBondContact O-CB 3.45Å; D1042-N1046 PolarHBondContact O-N 3Å; D1042-N1046 PolarHBondContact O-OD1 2.98Å; A1043-N1046 PolarHBondContact O-N 3.18Å; N1046-Y1049 PolarHBondContact O-N 2.8Å; N1046-L1050 WeakPolarHBondContact O-CB 3.17Å; N1046-L1050 WeakPolarHBondContact O-CD1 3.34Å; N1046-L1050 WeakPolarHBondContact O-CG 3.43Å; N1046-L1050 PolarHBondContact O-N 3.17Å; N1046-C1204 PolarHBondContact ND2-O 3.3Å; N1046-V1205 HydrophobicContact CB-CG2 4.19Å; N1046-C1236 HydrophobicContact CB-CB 4.41Å; N1046-C1236 VanDerWaalsContact OD1-CA 3.29Å; N1046-C1236 WeakPolarHBondContact OD1-CA 3.09Å; N1046-C1236 WeakPolarHBondContact OD1-CB 3.34Å; N1046-H1237 PolarHBondContact ND2-O 3.41Å; N1046-H1237 PolarHBondContact OD1-N 2.99Å
1047L87.2Confident81.7Confident24 Ų2444.5 Ų44.513%0.12625%0.253CS..Hα-helixtrans-65.3-44.3178.2-177.958.9000111.6I1036 Y1039 A1043 R1044 F1045 Y1049 L1050 L1051 V1205I1036-L1047 HydrophobicContact CD1-CD2 4.33Å; I1036-L1047 HydrophobicContact CG2-CD2 3.65Å; Y1039-L1047 HydrophobicContact CE2-CD2 4.47Å; A1043-L1047 VanDerWaalsContact O-CB 3.32Å; A1043-L1047 WeakPolarHBondContact O-CB 3.12Å; A1043-L1047 PolarHBondContact O-N 2.97Å; R1044-L1047 PolarHBondContact O-N 3.43Å; F1045-L1047 VanDerWaalsContact C-N 3.31Å; F1045-L1047 PolarHBondContact O-N 3.32Å; L1047-Y1049 VanDerWaalsContact C-N 3.34Å; L1047-Y1049 PolarHBondContact O-N 3.15Å; L1047-L1050 PolarHBondContact O-N 3.45Å; L1047-L1051 HydrophobicContact CD1-CD1 3.88Å; L1047-L1051 HydrophobicContact CD1-CG 4.16Å; L1047-L1051 HydrophobicContact CG-CD1 3.99Å; L1047-L1051 WeakPolarHBondContact O-CB 3.33Å; L1047-L1051 VanDerWaalsContact O-CG 3.29Å; L1047-L1051 WeakPolarHBondContact O-CG 3.46Å; L1047-L1051 PolarHBondContact O-N 3.29Å; L1047-V1205 HydrophobicContact CB-CG1 4.19Å; L1047-V1205 HydrophobicContact CB-CG2 3.94Å; L1047-V1205 HydrophobicContact CD1-CG2 4.26Å
1048S87.3Confident82.2Confident9 Ų941.1 Ų41.16%0.06323%0.231CC..Hα-helixtrans-64.6-38.2177.459.50000112.7R1044 F1045 N1052 L1053 I1055R1044-S1048 WeakPolarHBondContact O-CB 3.19Å; R1044-S1048 PolarHBondContact O-N 3.08Å; R1044-S1048 PolarHBondContact O-OG 3.46Å; R1044-S1048 VanDerWaalsContact O-OG 3.08Å; F1045-S1048 WeakPolarHBondContact CA-OG 3.38Å; F1045-S1048 PolarHBondContact O-N 3.45Å; F1045-S1048 VanDerWaalsContact O-N 3.13Å; F1045-S1048 PolarHBondContact O-OG 3.03Å; S1048-N1052 PolarHBondContact O-N 3.1Å; S1048-L1053 PolarHBondContact O-N 3.32Å; S1048-L1053 VanDerWaalsContact O-N 3.08Å; S1048-I1055 WeakPolarHBondContact OG-CD1 3.46Å
1049Y88.1Confident82.5Confident3 Ų343.5 Ų43.51%0.01224%0.236CC..Hα-helixtrans-66.1-48.7175.7-172.5-86.7000111.5F1045 N1046 L1047 L1051 N1052 V1058 W1060 E1235F1045-Y1049 WeakPolarHBondContact O-CB 3.37Å; F1045-Y1049 PolarHBondContact O-N 3.28Å; N1046-Y1049 PolarHBondContact O-N 2.8Å; L1047-Y1049 VanDerWaalsContact C-N 3.34Å; L1047-Y1049 PolarHBondContact O-N 3.15Å; Y1049-L1051 VanDerWaalsContact C-N 3.29Å; Y1049-L1051 PolarHBondContact O-N 3.4Å; Y1049-N1052 WeakPolarHBondContact O-CA 3.42Å; Y1049-N1052 PolarHBondContact O-N 3.12Å; Y1049-V1058 HydrophobicContact CD2-CG1 4.25Å; Y1049-V1058 HydrophobicContact CE2-CG1 4.07Å; Y1049-W1060 HydrophobicContact CD2-CH2 4.21Å; Y1049-W1060 AromaticContact CD2-CZ3 4Å; Y1049-W1060 HydrophobicContact CD2-CZ3 4Å; Y1049-W1060 HydrophobicContact CE2-CE3 4.07Å; Y1049-W1060 HydrophobicContact CE2-CH2 4.4Å; Y1049-W1060 AromaticContact CE2-CZ3 3.78Å; Y1049-W1060 HydrophobicContact CE2-CZ3 3.78Å; Y1049-E1235 HydrophobicContact CD1-CB 4.35Å; Y1049-E1235 HydrophobicContact CE1-CB 3.62Å; Y1049-E1235 HydrophobicContact CE1-CG 4.39Å; Y1049-E1235 HydrophobicContact CE2-CB 3.8Å; Y1049-E1235 HydrophobicContact CE2-CG 4.47Å; Y1049-E1235 WeakPolarHBondContact OH-CB 3.39Å; Y1049-E1235 VanDerWaalsContact OH-CG 3.28Å; Y1049-E1235 WeakPolarHBondContact OH-CG 3.4Å
1050L86.9Confident83Confident4 Ų440 Ų402%0.02122%0.222CC..Hα-helixtrans-63.7-30.9178.5-80.6161.7000113.4A977 N1046 L1047 C1204 V1205A977-L1050 VanDerWaalsContact CB-O 3.31Å; A977-L1050 WeakPolarHBondContact CB-O 3.3Å; A977-L1050 PolarHBondContact N-O 2.91Å; N1046-L1050 WeakPolarHBondContact O-CB 3.17Å; N1046-L1050 WeakPolarHBondContact O-CD1 3.34Å; N1046-L1050 WeakPolarHBondContact O-CG 3.43Å; N1046-L1050 PolarHBondContact O-N 3.17Å; L1047-L1050 PolarHBondContact O-N 3.45Å; L1050-C1204 HydrophobicContact CD1-CB 3.66Å; L1050-V1205 HydrophobicContact CD1-CG2 4.02Å
1051L86.8Confident83.5Confident80 Ų8039.2 Ų39.242%0.41922%0.217SC..THydrogen-bonded Turntrans-80.6-2.6174.1-69.4172.9000113.3A977 L1047 Y1049 L1053A977-L1051 HydrophobicContact CB-CD2 4.13Å; L1047-L1051 HydrophobicContact CD1-CD1 3.88Å; L1047-L1051 HydrophobicContact CD1-CG 4.16Å; L1047-L1051 HydrophobicContact CG-CD1 3.99Å; L1047-L1051 WeakPolarHBondContact O-CB 3.33Å; L1047-L1051 VanDerWaalsContact O-CG 3.29Å; L1047-L1051 WeakPolarHBondContact O-CG 3.46Å; L1047-L1051 PolarHBondContact O-N 3.29Å; Y1049-L1051 VanDerWaalsContact C-N 3.29Å; Y1049-L1051 PolarHBondContact O-N 3.4Å; L1051-L1053 VanDerWaalsContact C-N 3.3Å; L1051-L1053 HydrophobicContact CB-CD1 3.99Å; L1051-L1053 HydrophobicContact CB-CG 3.97Å; L1051-L1053 HydrophobicContact CD1-CD1 4.19Å; L1051-L1053 PolarHBondContact O-N 3.37Å
1052N86.7Confident83.9Confident17 Ų1735.6 Ų35.69%0.09120%0.2CC..THydrogen-bonded Turntrans59.135.9-177.9-152.942000113.8L978 Y1019 S1048 Y1049 W1060L978-N1052 HydrophobicContact CD1-CB 4.22Å; L978-N1052 WeakPolarHBondContact CD1-ND2 3.27Å; Y1019-N1052 VanDerWaalsContact CE1-OD1 3.27Å; Y1019-N1052 WeakPolarHBondContact CE1-OD1 3.34Å; Y1019-N1052 PolarHBondContact OH-OD1 3.1Å; S1048-N1052 PolarHBondContact O-N 3.1Å; Y1049-N1052 WeakPolarHBondContact O-CA 3.42Å; Y1049-N1052 PolarHBondContact O-N 3.12Å; N1052-W1060 WeakPolarHBondContact OD1-CZ3 3.37Å
1053L84.3Confident84.1Confident47 Ų4736.1 Ų36.125%0.24621%0.21CC..  trans-85.3150177-64.7170.4000110.3W1032 S1048 L1051 W1060W1032-L1053 HydrophobicContact CB-CD1 4.11Å; W1032-L1053 HydrophobicContact CD2-CB 4.06Å; W1032-L1053 HydrophobicContact CD2-CD1 4.13Å; W1032-L1053 HydrophobicContact CD2-CD2 4.2Å; W1032-L1053 HydrophobicContact CD2-CG 4.37Å; W1032-L1053 HydrophobicContact CE3-CD2 3.99Å; W1032-L1053 HydrophobicContact CG-CB 4.39Å; W1032-L1053 HydrophobicContact CG-CD1 3.9Å; W1032-L1053 HydrophobicContact CZ2-CB 4.17Å; W1032-L1053 HydrophobicContact CZ3-CD2 4.22Å; S1048-L1053 PolarHBondContact O-N 3.32Å; S1048-L1053 VanDerWaalsContact O-N 3.08Å; L1051-L1053 VanDerWaalsContact C-N 3.3Å; L1051-L1053 HydrophobicContact CB-CD1 3.99Å; L1051-L1053 HydrophobicContact CB-CG 3.97Å; L1051-L1053 HydrophobicContact CD1-CD1 4.19Å; L1051-L1053 PolarHBondContact O-N 3.37Å; L1053-W1060 WeakPolarHBondContact O-CH2 3.3Å; L1053-W1060 VanDerWaalsContact O-CZ2 3.24Å; L1053-W1060 WeakPolarHBondContact O-CZ2 3.31Å
1054S84.9Confident84.5Confident14 Ų1436.9 Ų36.910%0.09821%0.212CC..  trans-70.5134.5-178.454.60000112.3S1018 Y1030 W1032S1018-S1054 WeakPolarHBondContact O-CB 3.34Å; Y1030-S1054 WeakPolarHBondContact CD1-OG 3.41Å; Y1030-S1054 WeakPolarHBondContact CD2-O 3.35Å; Y1030-S1054 WeakPolarHBondContact CE1-OG 3.26Å; Y1030-S1054 WeakPolarHBondContact CE2-O 3.29Å; W1032-S1054 VanDerWaalsContact CE2-O 3.26Å; W1032-S1054 VanDerWaalsContact CH2-OG 3.22Å; W1032-S1054 WeakPolarHBondContact CH2-OG 3.31Å; W1032-S1054 VanDerWaalsContact CZ2-N 3.31Å; W1032-S1054 WeakPolarHBondContact CZ2-O 3.17Å; W1032-S1054 WeakPolarHBondContact CZ2-OG 3.24Å; W1032-S1054 PolarHBondContact NE1-O 3.39Å
1055I80.1Confident84.8Confident34 Ų3433.1 Ų33.117%0.17420%0.198CC..  trans-133.8134.6-178-52.5162000107.1F1045 S1048 V1058F1045-I1055 HydrophobicContact CD2-CD1 4.46Å; F1045-I1055 HydrophobicContact CD2-CG2 4.47Å; F1045-I1055 HydrophobicContact CE2-CD1 4.34Å; F1045-I1055 HydrophobicContact CE2-CG2 4.3Å; S1048-I1055 WeakPolarHBondContact OG-CD1 3.46Å; I1055-V1058 HydrophobicContact CB-CG2 4.03Å; I1055-V1058 HydrophobicContact CG2-CG2 3.95Å
1056Y79.6Confident85Confident35 Ų3533.1 Ų33.114%0.13720%0.199CC..THydrogen-bonded Turntrans-68.3138175.2-66.9-66000110.6H869 L1022 P1024 I1028 Y1030 V1058H869-Y1056 HydrophobicContact CB-CD2 3.91Å; H869-Y1056 HydrophobicContact CB-CG 4.05Å; L1022-Y1056 WeakPolarHBondContact O-CE1 3.4Å; P1024-Y1056 HydrophobicContact CB-CD1 3.91Å; P1024-Y1056 HydrophobicContact CB-CE1 4.05Å; I1028-Y1056 WeakPolarHBondContact O-CE2 3.27Å; I1028-Y1056 PolarHBondContact O-OH 3.36Å; Y1030-Y1056 AromaticContact CD2-CD2 3.87Å; Y1030-Y1056 HydrophobicContact CD2-CD2 3.87Å; Y1030-Y1056 AromaticContact CD2-CE2 3.62Å; Y1030-Y1056 HydrophobicContact CD2-CE2 3.62Å; Y1030-Y1056 HydrophobicContact CE2-CD1 4.01Å; Y1030-Y1056 AromaticContact CE2-CD2 3.63Å; Y1030-Y1056 HydrophobicContact CE2-CD2 3.63Å; Y1030-Y1056 AromaticContact CE2-CE1 3.83Å; Y1030-Y1056 HydrophobicContact CE2-CE1 3.83Å; Y1030-Y1056 AromaticContact CE2-CE2 3.43Å; Y1030-Y1056 HydrophobicContact CE2-CE2 3.43Å; Y1030-Y1056 VanDerWaalsContact CE2-CE2 3.43Å; Y1030-Y1056 AromaticContact CE2-CG 3.92Å; Y1030-Y1056 HydrophobicContact CE2-CG 3.92Å; Y1030-Y1056 AromaticContact CE2-CZ 3.54Å; Y1030-Y1056 HydrophobicContact CG-CE2 4.45Å; Y1030-Y1056 AromaticContact CZ-CE1 3.96Å; Y1030-Y1056 AromaticContact CZ-CZ 3.78Å; Y1056-V1058 PolarHBondContact O-N 3.03Å
1057G70.9Confident85.1Confident62 Ų6233.8 Ų33.864%0.63921%0.206SC*.THydrogen-bonded Turntrans84.7-3174.300000116.7
1058V75.6Confident85.3Confident27 Ų2732.7 Ų32.716%0.16420%0.201CC..  trans-94.9124177.3-177.40000110.6F1045 Y1049 I1055 Y1056 W1060F1045-V1058 HydrophobicContact CE2-CG2 3.44Å; F1045-V1058 VanDerWaalsContact CE2-CG2 3.44Å; F1045-V1058 HydrophobicContact CZ-CG2 3.64Å; Y1049-V1058 HydrophobicContact CD2-CG1 4.25Å; Y1049-V1058 HydrophobicContact CE2-CG1 4.07Å; I1055-V1058 HydrophobicContact CB-CG2 4.03Å; I1055-V1058 HydrophobicContact CG2-CG2 3.95Å; Y1056-V1058 PolarHBondContact O-N 3.03Å; V1058-W1060 PolarHBondContact O-N 3.48Å
1059N79.1Confident85.6Confident143 Ų14332.4 Ų32.477%0.76520%0.198SC*.  trans-85.5105.9171.9-71.3-28.6000109.7
1060W85.5Confident85.8Confident18 Ų1836.3 Ų36.37%0.06822%0.215CC..  trans-64.8134.7179.3-64.292.9000112I804 Y1019 Y1049 N1052 L1053 V1058 S1062I804-W1060 HydrophobicContact CD1-CB 4.38Å; Y1019-W1060 HydrophobicContact CD1-CB 4.21Å; Y1019-W1060 AromaticContact CD1-CD1 3.81Å; Y1019-W1060 AromaticContact CD1-CD2 3.53Å; Y1019-W1060 HydrophobicContact CD1-CD2 3.53Å; Y1019-W1060 AromaticContact CD1-CE2 3.77Å; Y1019-W1060 HydrophobicContact CD1-CE3 4.05Å; Y1019-W1060 AromaticContact CD1-CG 3.58Å; Y1019-W1060 HydrophobicContact CD1-CG 3.58Å; Y1019-W1060 HydrophobicContact CD1-CZ2 4.46Å; Y1019-W1060 AromaticContact CD1-NE1 3.91Å; Y1019-W1060 HydrophobicContact CD2-CB 3.52Å; Y1019-W1060 HydrophobicContact CD2-CD2 4.44Å; Y1019-W1060 AromaticContact CD2-CG 3.82Å; Y1019-W1060 HydrophobicContact CD2-CG 3.82Å; Y1019-W1060 HydrophobicContact CE1-CB 4.44Å; Y1019-W1060 AromaticContact CE1-CD2 3.58Å; Y1019-W1060 HydrophobicContact CE1-CD2 3.58Å; Y1019-W1060 AromaticContact CE1-CE3 3.58Å; Y1019-W1060 HydrophobicContact CE1-CE3 3.58Å; Y1019-W1060 AromaticContact CE1-CG 3.97Å; Y1019-W1060 HydrophobicContact CE1-CG 3.97Å; Y1019-W1060 HydrophobicContact CE1-CZ3 4.09Å; Y1019-W1060 HydrophobicContact CE2-CB 3.76Å; Y1019-W1060 HydrophobicContact CE2-CD2 4.45Å; Y1019-W1060 HydrophobicContact CE2-CG 4.15Å; Y1019-W1060 HydrophobicContact CG-CB 3.77Å; Y1019-W1060 AromaticContact CG-CD1 3.69Å; Y1019-W1060 HydrophobicContact CG-CD2 4.01Å; Y1019-W1060 AromaticContact CG-CG 3.52Å; Y1019-W1060 HydrophobicContact CG-CG 3.52Å; Y1019-W1060 AromaticContact CZ-CE3 3.84Å; Y1049-W1060 HydrophobicContact CD2-CH2 4.21Å; Y1049-W1060 AromaticContact CD2-CZ3 4Å; Y1049-W1060 HydrophobicContact CD2-CZ3 4Å; Y1049-W1060 HydrophobicContact CE2-CE3 4.07Å; Y1049-W1060 HydrophobicContact CE2-CH2 4.4Å; Y1049-W1060 AromaticContact CE2-CZ3 3.78Å; Y1049-W1060 HydrophobicContact CE2-CZ3 3.78Å; N1052-W1060 WeakPolarHBondContact OD1-CZ3 3.37Å; L1053-W1060 WeakPolarHBondContact O-CH2 3.3Å; L1053-W1060 VanDerWaalsContact O-CZ2 3.24Å; L1053-W1060 WeakPolarHBondContact O-CZ2 3.31Å; V1058-W1060 PolarHBondContact O-N 3.48Å; W1060-S1062 PolarHBondContact O-N 2.9Å
1061P85.9Confident86.1Confident31 Ų3136.5 Ų36.520%0.20122%0.216CC..  trans-68.5127.5-179.126.3-33.7000111.4A1063 Y1064P1061-A1063 PolarHBondContact O-N 3.2Å; P1061-A1063 VanDerWaalsContact O-N 3.12Å; P1061-Y1064 HydrophobicContact CG-CD1 4.38Å; P1061-Y1064 HydrophobicContact CG-CD2 3.58Å; P1061-Y1064 HydrophobicContact CG-CE1 4.12Å; P1061-Y1064 HydrophobicContact CG-CE2 3.29Å; P1061-Y1064 HydrophobicContact CG-CG 4.13Å; P1061-Y1064 PolarHBondContact O-N 3.23Å
1062S88.5Confident86.4Confident36 Ų3632.7 Ų32.725%0.25220%0.197SC..Hα-helixtrans-63.6-20.6-177.365.30000113.6A801 N802 W1060 Y1064 L1065 I1066A801-S1062 WeakPolarHBondContact O-CB 2.99Å; N802-S1062 WeakPolarHBondContact OD1-CB 3.45Å; N802-S1062 PolarHBondContact OD1-OG 2.95Å; W1060-S1062 PolarHBondContact O-N 2.9Å; S1062-Y1064 VanDerWaalsContact C-N 3.28Å; S1062-Y1064 PolarHBondContact O-N 3.47Å; S1062-L1065 PolarHBondContact O-N 3.37Å; S1062-I1066 VanDerWaalsContact O-CG1 3.31Å; S1062-I1066 WeakPolarHBondContact O-CG1 3.34Å; S1062-I1066 PolarHBondContact O-N 3.41Å; S1062-I1066 VanDerWaalsContact O-N 3.11Å
1063A88.3Confident86.7Confident50 Ų5032.9 Ų32.941%0.41320%0.198SC..Hα-helixtrans-58.9-34.9178.200000113.3P1061 I1066 G1067P1061-A1063 PolarHBondContact O-N 3.2Å; P1061-A1063 VanDerWaalsContact O-N 3.12Å; A1063-I1066 PolarHBondContact O-N 2.8Å; A1063-G1067 PolarHBondContact O-N 2.91Å
1064Y90.4Very high87.1Confident19 Ų1932.7 Ų32.78%0.07520%0.197CC..Hα-helixtrans-66.9-50-179.7-59.7-14.9000110.7N973 R974 P1061 S1062 I1066 G1067 D1068N973-Y1064 WeakPolarHBondContact O-CE1 3.26Å; R974-Y1064 HydrophobicContact CG-CD1 4.09Å; R974-Y1064 HydrophobicContact CG-CG 4.31Å; P1061-Y1064 HydrophobicContact CG-CD1 4.38Å; P1061-Y1064 HydrophobicContact CG-CD2 3.58Å; P1061-Y1064 HydrophobicContact CG-CE1 4.12Å; P1061-Y1064 HydrophobicContact CG-CE2 3.29Å; P1061-Y1064 HydrophobicContact CG-CG 4.13Å; P1061-Y1064 PolarHBondContact O-N 3.23Å; S1062-Y1064 VanDerWaalsContact C-N 3.28Å; S1062-Y1064 PolarHBondContact O-N 3.47Å; Y1064-I1066 VanDerWaalsContact C-N 3.28Å; Y1064-I1066 PolarHBondContact O-N 3.1Å; Y1064-G1067 PolarHBondContact O-N 3.24Å; Y1064-G1067 VanDerWaalsContact O-N 3.15Å; Y1064-D1068 PolarHBondContact O-N 2.9Å; Y1064-D1068 VanDerWaalsContact O-OD2 3.05Å
1065L90.6Very high87.4Confident1 Ų132.1 Ų32.11%0.00519%0.192CC..Hα-helixtrans-60.8-36.7176-76.1168.7000112.4A801 I804 Y1012 Q1015 F1016 Y1019 S1062 F1069A801-L1065 HydrophobicContact CB-CB 4.24Å; I804-L1065 HydrophobicContact CD1-CD1 4.37Å; Y1012-L1065 HydrophobicContact CD2-CD2 4.19Å; Y1012-L1065 HydrophobicContact CE2-CB 4.3Å; Y1012-L1065 HydrophobicContact CE2-CD2 3.99Å; Y1012-L1065 VanDerWaalsContact CE2-O 3.32Å; Y1012-L1065 WeakPolarHBondContact CE2-O 3.17Å; Q1015-L1065 HydrophobicContact CB-CD2 4.31Å; Q1015-L1065 HydrophobicContact CG-CD2 4.04Å; F1016-L1065 HydrophobicContact CB-CD2 4.46Å; F1016-L1065 HydrophobicContact CD2-CD1 3.91Å; Y1019-L1065 HydrophobicContact CD2-CD1 3.72Å; Y1019-L1065 HydrophobicContact CD2-CD2 4.46Å; Y1019-L1065 HydrophobicContact CD2-CG 4.01Å; Y1019-L1065 HydrophobicContact CE2-CD1 4.03Å; Y1019-L1065 HydrophobicContact CE2-CD2 4.34Å; Y1019-L1065 HydrophobicContact CE2-CG 3.82Å; S1062-L1065 PolarHBondContact O-N 3.37Å; L1065-F1069 WeakPolarHBondContact O-CB 3.2Å; L1065-F1069 PolarHBondContact O-N 3.24Å
1066I91Very high88Confident41 Ų4131.5 Ų31.521%0.2119%0.191CC..Hα-helixtrans-67.2-43.7176.7-67.1167.3000110.7I798 A801 S1062 A1063 Y1064 F1069 F1070I798-I1066 HydrophobicContact CG1-CD1 4.49Å; A801-I1066 HydrophobicContact CB-CD1 4.26Å; A801-I1066 HydrophobicContact CB-CG1 3.84Å; S1062-I1066 VanDerWaalsContact O-CG1 3.31Å; S1062-I1066 WeakPolarHBondContact O-CG1 3.34Å; S1062-I1066 PolarHBondContact O-N 3.41Å; S1062-I1066 VanDerWaalsContact O-N 3.11Å; A1063-I1066 PolarHBondContact O-N 2.8Å; Y1064-I1066 VanDerWaalsContact C-N 3.28Å; Y1064-I1066 PolarHBondContact O-N 3.1Å; I1066-F1069 PolarHBondContact O-N 3.15Å; I1066-F1070 HydrophobicContact CG2-CD2 3.7Å; I1066-F1070 HydrophobicContact CG2-CE2 3.57Å; I1066-F1070 VanDerWaalsContact O-CD2 3.23Å; I1066-F1070 WeakPolarHBondContact O-CD2 2.87Å; I1066-F1070 PolarHBondContact O-N 3.07Å
1067G90.3Very high88.4Confident15 Ų1531.2 Ų31.216%0.15519%0.194CC..Hα-helixtrans-57.2-51.6174.800000112A1063 Y1064 F1069 F1070 V1071A1063-G1067 PolarHBondContact O-N 2.91Å; Y1064-G1067 PolarHBondContact O-N 3.24Å; Y1064-G1067 VanDerWaalsContact O-N 3.15Å; G1067-F1069 VanDerWaalsContact C-N 3.32Å; G1067-F1069 PolarHBondContact O-N 3.33Å; G1067-F1070 PolarHBondContact O-N 3.3Å; G1067-F1070 VanDerWaalsContact O-N 3.14Å; G1067-V1071 WeakPolarHBondContact O-CG2 3.09Å; G1067-V1071 PolarHBondContact O-N 3.26Å
1068D91.3Very high89.4Confident1 Ų128.3 Ų28.31%0.00516%0.164CC..Hα-helixtrans-59.8-40.3177.6-70-51.3000112.1R974 M1008 Y1012 Q1015 Y1064 V1071 L1072R974-D1068 IonicContact CZ-OD2 3.98Å; R974-D1068 IonicContact NH1-OD1 3.74Å; R974-D1068 PolarHBondContact NH1-OD1 3.2Å; R974-D1068 IonicContact NH1-OD2 3.87Å; R974-D1068 PolarHBondContact NH1-OD2 3.5Å; M1008-D1068 HydrophobicContact CE-CB 4.06Å; Y1012-D1068 HydrophobicContact CD2-CB 4.3Å; Q1015-D1068 VanDerWaalsContact CD-OD2 3.25Å; Q1015-D1068 PolarHBondContact NE2-OD2 2.89Å; Q1015-D1068 PolarHBondContact OE1-OD2 3.49Å; Y1064-D1068 PolarHBondContact O-N 2.9Å; Y1064-D1068 VanDerWaalsContact O-OD2 3.05Å; D1068-V1071 PolarHBondContact O-N 3.41Å; D1068-L1072 WeakPolarHBondContact O-CB 3.32Å; D1068-L1072 PolarHBondContact O-N 2.78Å
1069F92.5Very high90.2Very high3 Ų328 Ų281%0.01316%0.161CC..Hα-helixtrans-63.2-43.1174.9175.5-93.9000112.5F793 V794 A797 L815 I819 Y1012 L1065 I1066 G1067 L1072 L1073F793-F1069 HydrophobicContact CB-CZ 4.14Å; V794-F1069 HydrophobicContact CG2-CE1 3.98Å; A797-F1069 HydrophobicContact CB-CD1 3.83Å; A797-F1069 HydrophobicContact CB-CD2 3.76Å; A797-F1069 HydrophobicContact CB-CE1 3.76Å; A797-F1069 HydrophobicContact CB-CE2 3.65Å; A797-F1069 HydrophobicContact CB-CG 3.84Å; A797-F1069 HydrophobicContact CB-CZ 3.67Å; L815-F1069 HydrophobicContact CD1-CE2 4.34Å; L815-F1069 HydrophobicContact CD2-CD2 4.38Å; L815-F1069 HydrophobicContact CD2-CE2 3.83Å; L815-F1069 HydrophobicContact CG-CE2 4.07Å; I819-F1069 HydrophobicContact CD1-CD2 4.05Å; I819-F1069 HydrophobicContact CD1-CE2 3.23Å; I819-F1069 HydrophobicContact CD1-CZ 3.74Å; Y1012-F1069 HydrophobicContact CD2-CB 4.44Å; Y1012-F1069 HydrophobicContact CE1-CD2 4.33Å; Y1012-F1069 HydrophobicContact CE2-CB 3.86Å; L1065-F1069 WeakPolarHBondContact O-CB 3.2Å; L1065-F1069 PolarHBondContact O-N 3.24Å; I1066-F1069 PolarHBondContact O-N 3.15Å; G1067-F1069 VanDerWaalsContact C-N 3.32Å; G1067-F1069 PolarHBondContact O-N 3.33Å; F1069-L1072 PolarHBondContact O-N 3.19Å; F1069-L1073 HydrophobicContact CE1-CD2 4.38Å; F1069-L1073 WeakPolarHBondContact O-CB 3.32Å; F1069-L1073 PolarHBondContact O-N 3.42Å
1070F92.7Very high90.5Very high85 Ų8523.5 Ų23.537%0.37314%0.144SC..Hα-helixtrans-66.6-40.9176.8-85-67.6000111.8V794 I1066 G1067 L1072 L1073 L1074V794-F1070 HydrophobicContact CG1-CZ 4.36Å; V794-F1070 HydrophobicContact CG2-CE1 4.37Å; I1066-F1070 HydrophobicContact CG2-CD2 3.7Å; I1066-F1070 HydrophobicContact CG2-CE2 3.57Å; I1066-F1070 VanDerWaalsContact O-CD2 3.23Å; I1066-F1070 WeakPolarHBondContact O-CD2 2.87Å; I1066-F1070 PolarHBondContact O-N 3.07Å; G1067-F1070 PolarHBondContact O-N 3.3Å; G1067-F1070 VanDerWaalsContact O-N 3.14Å; F1070-L1072 VanDerWaalsContact C-N 3.32Å; F1070-L1072 PolarHBondContact O-N 3.31Å; F1070-L1073 PolarHBondContact O-N 3.42Å; F1070-L1074 WeakPolarHBondContact O-CB 3.47Å; F1070-L1074 VanDerWaalsContact O-CG 3.27Å; F1070-L1074 WeakPolarHBondContact O-CG 3.36Å; F1070-L1074 PolarHBondContact O-N 3.03Å
1071V93.6Very high90.7Very high7 Ų723.3 Ų23.34%0.04214%0.144CC..Hα-helixtrans-60.5-43.2173.6173.60000110.2A966 I967 D970 Y1004 M1008 G1067 D1068 L1074 A1075A966-V1071 HydrophobicContact CB-CG2 4.49Å; I967-V1071 HydrophobicContact CG1-CG1 4.26Å; D970-V1071 HydrophobicContact CB-CG2 4.08Å; Y1004-V1071 HydrophobicContact CE1-CG1 4.19Å; Y1004-V1071 WeakPolarHBondContact OH-CG1 3.4Å; M1008-V1071 HydrophobicContact CE-CB 4.1Å; M1008-V1071 HydrophobicContact CE-CG1 3.92Å; M1008-V1071 HydrophobicContact CG-CG1 4.43Å; M1008-V1071 HydrophobicContact SD-CG1 4.44Å; G1067-V1071 WeakPolarHBondContact O-CG2 3.09Å; G1067-V1071 PolarHBondContact O-N 3.26Å; D1068-V1071 PolarHBondContact O-N 3.41Å; V1071-L1074 PolarHBondContact O-N 2.94Å; V1071-A1075 WeakPolarHBondContact O-CB 3.44Å; V1071-A1075 PolarHBondContact O-N 2.81Å
1072L93.6Very high90.8Very high0 Ų022.5 Ų22.50%014%0.138CC..Hα-helixtrans-63.1-44.4174.8177.160.1000112.7V1005 M1008 A1009 D1068 F1069 F1070 S1076V1005-L1072 HydrophobicContact CG1-CD1 4.47Å; M1008-L1072 HydrophobicContact CB-CB 4.32Å; M1008-L1072 HydrophobicContact CB-CD1 3.88Å; A1009-L1072 HydrophobicContact CB-CD1 4.02Å; D1068-L1072 WeakPolarHBondContact O-CB 3.32Å; D1068-L1072 PolarHBondContact O-N 2.78Å; F1069-L1072 PolarHBondContact O-N 3.19Å; F1070-L1072 VanDerWaalsContact C-N 3.32Å; F1070-L1072 PolarHBondContact O-N 3.31Å; L1072-S1076 VanDerWaalsContact O-CB 3.3Å; L1072-S1076 WeakPolarHBondContact O-CB 3.36Å; L1072-S1076 PolarHBondContact O-N 3.36Å; L1072-S1076 PolarHBondContact O-OG 3.14Å
1073L91.6Very high90.8Very high22 Ų2229.9 Ų29.912%0.11516%0.16CC..Hα-helixtrans-63.6-44.1178.2-179.365.6000111.6V794 F1069 F1070 S1076 C1077V794-L1073 HydrophobicContact CG2-CD2 4.4Å; F1069-L1073 HydrophobicContact CE1-CD2 4.38Å; F1069-L1073 WeakPolarHBondContact O-CB 3.32Å; F1069-L1073 PolarHBondContact O-N 3.42Å; F1070-L1073 PolarHBondContact O-N 3.42Å; L1073-S1076 PolarHBondContact O-OG 3.45Å; L1073-C1077 WeakPolarHBondContact O-CB 3.23Å; L1073-C1077 PolarHBondContact O-N 3.29Å; L1073-C1077 PolarHBondContact O-SG 3.33Å
1074L92.6Very high90.6Very high43 Ų4336.9 Ų36.923%0.22518%0.176CC..Hα-helixtrans-71.9-40.7178.6-65.8175.2000111.4F955 I962 T963 A966 F1070 V1071 S1076 C1077 Q1078F955-L1074 HydrophobicContact CE2-CD2 3.85Å; F955-L1074 HydrophobicContact CZ-CD2 4.28Å; I962-L1074 HydrophobicContact CG2-CD1 4.5Å; T963-L1074 HydrophobicContact CG2-CB 3.87Å; A966-L1074 HydrophobicContact CB-CD1 3.82Å; F1070-L1074 WeakPolarHBondContact O-CB 3.47Å; F1070-L1074 VanDerWaalsContact O-CG 3.27Å; F1070-L1074 WeakPolarHBondContact O-CG 3.36Å; F1070-L1074 PolarHBondContact O-N 3.03Å; V1071-L1074 PolarHBondContact O-N 2.94Å; L1074-S1076 PolarHBondContact O-N 2.99Å; L1074-C1077 PolarHBondContact O-N 3.17Å; L1074-Q1078 WeakPolarHBondContact O-CB 3.29Å; L1074-Q1078 PolarHBondContact O-N 2.94Å
1075A92.8Very high90.1Very high1 Ų137 Ų371%0.00818%0.177CC..Hα-helixtrans-64-39.8177.100000112.1W1001 Y1004 V1005 V1071 Q1078 L1079W1001-A1075 HydrophobicContact CZ2-CB 4.14Å; W1001-A1075 PolarHBondContact NE1-O 2.93Å; Y1004-A1075 HydrophobicContact CD1-CB 4.18Å; Y1004-A1075 HydrophobicContact CE1-CB 4.05Å; V1005-A1075 HydrophobicContact CG2-CB 4.06Å; V1071-A1075 WeakPolarHBondContact O-CB 3.44Å; V1071-A1075 PolarHBondContact O-N 2.81Å; A1075-Q1078 PolarHBondContact O-N 2.97Å; A1075-L1079 WeakPolarHBondContact O-CB 3.42Å; A1075-L1079 PolarHBondContact O-N 3.34Å
1076S91.2Very high89.3Confident21 Ų2139 Ų3915%0.14720%0.198CC..Hα-helixtrans-68.9-38.1174.559.90000112.5I819 L1072 L1073 L1074 L1079 A1080I819-S1076 WeakPolarHBondContact CG2-OG 3.41Å; L1072-S1076 VanDerWaalsContact O-CB 3.3Å; L1072-S1076 WeakPolarHBondContact O-CB 3.36Å; L1072-S1076 PolarHBondContact O-N 3.36Å; L1072-S1076 PolarHBondContact O-OG 3.14Å; L1073-S1076 PolarHBondContact O-OG 3.45Å; L1074-S1076 PolarHBondContact O-N 2.99Å; S1076-L1079 PolarHBondContact O-N 3.38Å; S1076-A1080 PolarHBondContact O-N 3.3Å; S1076-A1080 VanDerWaalsContact O-N 3.09Å
1077C89.4Confident88.5Confident30 Ų3045.1 Ų45.120%0.20323%0.226CC..Hα-helixtrans-62.9-42.2170.7-710000111.6F955 L1073 L1074 L1079 A1080 V1081F955-C1077 HydrophobicContact CD1-CB 4.3Å; F955-C1077 HydrophobicContact CE1-CB 3.47Å; F955-C1077 VanDerWaalsContact CE1-CB 3.47Å; F955-C1077 HydrophobicContact CZ-CB 3.82Å; L1073-C1077 WeakPolarHBondContact O-CB 3.23Å; L1073-C1077 PolarHBondContact O-N 3.29Å; L1073-C1077 PolarHBondContact O-SG 3.33Å; L1074-C1077 PolarHBondContact O-N 3.17Å; C1077-L1079 VanDerWaalsContact C-N 3.33Å; C1077-A1080 WeakPolarHBondContact O-CB 3.35Å; C1077-A1080 PolarHBondContact O-N 3.31Å; C1077-A1080 VanDerWaalsContact O-N 3.15Å; C1077-V1081 PolarHBondContact O-N 3.08Å; C1077-V1081 VanDerWaalsContact O-N 3.09Å
1078Q91.6Very high87.6Confident0 Ų049.8 Ų49.80%025%0.247CC..Hα-helixtrans-68.1-33.9178.418057.517.800111.6F955 G959 T963 W1001 L1074 A1075 A1080 V1081 F1082F955-Q1078 HydrophobicContact CE1-CB 4.34Å; F955-Q1078 HydrophobicContact CZ-CB 4.32Å; G959-Q1078 VanDerWaalsContact CA-OE1 3.3Å; T963-Q1078 HydrophobicContact CG2-CB 4.06Å; T963-Q1078 HydrophobicContact CG2-CG 4.5Å; W1001-Q1078 HydrophobicContact CZ2-CB 4.15Å; W1001-Q1078 HydrophobicContact CZ2-CG 3.95Å; L1074-Q1078 WeakPolarHBondContact O-CB 3.29Å; L1074-Q1078 PolarHBondContact O-N 2.94Å; A1075-Q1078 PolarHBondContact O-N 2.97Å; Q1078-A1080 VanDerWaalsContact C-N 3.32Å; Q1078-A1080 PolarHBondContact O-N 3.32Å; Q1078-V1081 WeakPolarHBondContact O-CB 3.43Å; Q1078-V1081 PolarHBondContact O-N 2.87Å; Q1078-V1081 VanDerWaalsContact O-N 3.14Å; Q1078-F1082 HydrophobicContact CG-CD2 3.99Å; Q1078-F1082 HydrophobicContact CG-CE2 3.67Å; Q1078-F1082 HydrophobicContact CG-CZ 4.15Å; Q1078-F1082 PolarHBondContact O-N 2.93Å
1079L91.1Very high86.9Confident22 Ų2249.8 Ų49.812%0.11525%0.247CC..Hα-helixtrans-62.3-39.6170.5179.560.6000111.6V1002 V1005 A1075 S1076 C1077 V1081 F1082 R1083V1002-L1079 HydrophobicContact CG2-CD1 3.81Å; V1005-L1079 HydrophobicContact CB-CD2 4.27Å; V1005-L1079 HydrophobicContact CG1-CD2 4.25Å; V1005-L1079 HydrophobicContact CG2-CB 4.1Å; V1005-L1079 HydrophobicContact CG2-CD2 4.06Å; A1075-L1079 WeakPolarHBondContact O-CB 3.42Å; A1075-L1079 PolarHBondContact O-N 3.34Å; S1076-L1079 PolarHBondContact O-N 3.38Å; C1077-L1079 VanDerWaalsContact C-N 3.33Å; L1079-V1081 VanDerWaalsContact C-N 3.27Å; L1079-V1081 PolarHBondContact O-N 2.96Å; L1079-F1082 PolarHBondContact O-N 3.15Å; L1079-R1083 WeakPolarHBondContact O-CG 3.44Å; L1079-R1083 PolarHBondContact O-N 3.42Å; L1079-R1083 VanDerWaalsContact O-N 3.09Å
1080A87Confident85.9Confident47 Ų4753 Ų5339%0.38826%0.264SS..Hα-helixtrans-65.3-30.8174.100000112.6S1076 C1077 Q1078 R1084S1076-A1080 PolarHBondContact O-N 3.3Å; S1076-A1080 VanDerWaalsContact O-N 3.09Å; C1077-A1080 WeakPolarHBondContact O-CB 3.35Å; C1077-A1080 PolarHBondContact O-N 3.31Å; C1077-A1080 VanDerWaalsContact O-N 3.15Å; Q1078-A1080 VanDerWaalsContact C-N 3.32Å; Q1078-A1080 PolarHBondContact O-N 3.32Å; A1080-R1084 WeakPolarHBondContact O-CG 3.02Å
1081V88.3Confident85Confident14 Ų1450.6 Ų50.69%0.08526%0.258CS..Hα-helixtrans-71.1-49.3172.4173.80000110.9F955 Y956 C1077 Q1078 L1079 R1083 R1084 E1085F955-V1081 HydrophobicContact CD1-CG2 4.04Å; F955-V1081 HydrophobicContact CE1-CG2 4.26Å; Y956-V1081 HydrophobicContact CD2-CG1 3.79Å; Y956-V1081 HydrophobicContact CE2-CG1 4.22Å; Y956-V1081 HydrophobicContact CG-CG1 4.46Å; C1077-V1081 PolarHBondContact O-N 3.08Å; C1077-V1081 VanDerWaalsContact O-N 3.09Å; Q1078-V1081 WeakPolarHBondContact O-CB 3.43Å; Q1078-V1081 PolarHBondContact O-N 2.87Å; Q1078-V1081 VanDerWaalsContact O-N 3.14Å; L1079-V1081 VanDerWaalsContact C-N 3.27Å; L1079-V1081 PolarHBondContact O-N 2.96Å; V1081-R1083 PolarHBondContact O-N 3.11Å; V1081-R1084 PolarHBondContact O-N 2.89Å; V1081-E1085 WeakPolarHBondContact O-CB 3.49Å; V1081-E1085 PolarHBondContact O-N 3.42Å
1082F89.4Confident84.2Confident15 Ų1552.1 Ų52.17%0.06627%0.266CS..Hα-helixtrans-58.9-29.4178.4-77.5-38.6000113.4L960 R998 W1001 Q1078 L1079 R1084 E1085L960-F1082 HydrophobicContact CD1-CZ 4.27Å; R998-F1082 HydrophobicContact CB-CD1 4.24Å; R998-F1082 HydrophobicContact CB-CE1 4.27Å; R998-F1082 HydrophobicContact CG-CB 4.1Å; R998-F1082 HydrophobicContact CG-CD1 3.9Å; R998-F1082 HydrophobicContact CG-CE1 4.43Å; R998-F1082 HydrophobicContact CG-CG 3.96Å; W1001-F1082 HydrophobicContact CB-CD2 4.05Å; W1001-F1082 HydrophobicContact CB-CE2 3.94Å; W1001-F1082 AromaticContact CD1-CD2 3.83Å; W1001-F1082 AromaticContact CD1-CE2 3.95Å; W1001-F1082 HydrophobicContact CD2-CD2 4.41Å; W1001-F1082 AromaticContact CD2-CE2 3.76Å; W1001-F1082 HydrophobicContact CD2-CE2 3.76Å; W1001-F1082 HydrophobicContact CE3-CE2 4.26Å; W1001-F1082 AromaticContact CG-CD2 3.82Å; W1001-F1082 HydrophobicContact CG-CD2 3.82Å; W1001-F1082 AromaticContact CG-CE2 3.6Å; W1001-F1082 HydrophobicContact CG-CE2 3.6Å; Q1078-F1082 HydrophobicContact CG-CD2 3.99Å; Q1078-F1082 HydrophobicContact CG-CE2 3.67Å; Q1078-F1082 HydrophobicContact CG-CZ 4.15Å; Q1078-F1082 PolarHBondContact O-N 2.93Å; L1079-F1082 PolarHBondContact O-N 3.15Å; F1082-R1084 VanDerWaalsContact C-N 3.35Å; F1082-E1085 WeakPolarHBondContact CD1-OE2 3.38Å
1083R86.9Confident83.2Confident191 Ų19153.2 Ų53.272%0.72127%0.27SS*.THydrogen-bonded Turntrans-74.8-20.1173.5-72.5-179.5-176.2173.52.6114.1L1079 V1081L1079-R1083 WeakPolarHBondContact O-CG 3.44Å; L1079-R1083 PolarHBondContact O-N 3.42Å; L1079-R1083 VanDerWaalsContact O-N 3.09Å; V1081-R1083 PolarHBondContact O-N 3.11Å
1084R84.9Confident82Confident196 Ų19656.8 Ų56.874%0.7429%0.289SS*.THydrogen-bonded Turntrans-102.3-15.6-179.5-69.6179.4179.8170.21.5113.7A1080 V1081 F1082A1080-R1084 WeakPolarHBondContact O-CG 3.02Å; V1081-R1084 PolarHBondContact O-N 2.89Å; F1082-R1084 VanDerWaalsContact C-N 3.35Å
1085E80.8Confident80.8Confident21 Ų2162 Ų6210%0.09832%0.317CS..  trans-75.3129.9-171.5-178.5179.4-132.100113.4R994 V1081 F1082 N1089R994-E1085 IonicContact CZ-OE1 3.29Å; R994-E1085 VanDerWaalsContact CZ-OE1 3.24Å; R994-E1085 IonicContact NE-OE1 2.83Å; R994-E1085 PolarHBondContact NE-OE1 3.08Å; R994-E1085 VanDerWaalsContact NE-OE1 3.15Å; R994-E1085 IonicContact NE-OE2 2.7Å; R994-E1085 IonicContact NH2-OE1 2.86Å; R994-E1085 PolarHBondContact NH2-OE1 2.98Å; R994-E1085 IonicContact NH2-OE2 3.89Å; V1081-E1085 WeakPolarHBondContact O-CB 3.49Å; V1081-E1085 PolarHBondContact O-N 3.42Å; F1082-E1085 WeakPolarHBondContact CD1-OE2 3.38Å; E1085-N1089 HydrophobicContact CG-CB 4.3Å; E1085-N1089 WeakPolarHBondContact OE1-CB 3.46Å; E1085-N1089 VanDerWaalsContact OE1-CG 3.25Å; E1085-N1089 PolarHBondContact OE1-ND2 3.41Å
1086G73.3Confident79.5Confident43 Ų4364 Ų6444%0.44334%0.339SS..  trans-99.6-143.4168.300000112.9D1088G1086-D1088 VanDerWaalsContact C-N 3.3Å; G1086-D1088 PolarHBondContact O-N 2.88Å
1087E72.9Confident78.4Confident170 Ų17069.1 Ų69.179%0.79436%0.364SS*.G310 helixtrans-76.4-10-179.2-63.2-177.5167.600114.3N1089 D1090E1087-N1089 PolarHBondContact O-N 2.84Å; E1087-D1090 PolarHBondContact O-N 3.44Å
1088D71.3Confident77.6Confident113 Ų11369 Ų6960%0.60436%0.361SS*.G310 helixtrans-60-14-170.6-78.2-5.7000116.9K957 G1086K957-D1088 PolarHBondContact NZ-O 2.75Å; G1086-D1088 VanDerWaalsContact C-N 3.3Å; G1086-D1088 PolarHBondContact O-N 2.88Å
1089N77.2Confident76.6Confident1 Ų173.9 Ų73.91%0.00539%0.39CS..G310 helixtrans-119.20.6-171.2-80.5-14.8000114.2Y956 K957 R994 E1085 E1087 R1273Y956-N1089 PolarHBondContact O-ND2 2.91Å; K957-N1089 WeakPolarHBondContact CD-OD1 3.28Å; K957-N1089 WeakPolarHBondContact CE-OD1 3.05Å; K957-N1089 PolarHBondContact NZ-OD1 2.99Å; R994-N1089 PolarHBondContact NH2-ND2 3.47Å; E1085-N1089 HydrophobicContact CG-CB 4.3Å; E1085-N1089 WeakPolarHBondContact OE1-CB 3.46Å; E1085-N1089 VanDerWaalsContact OE1-CG 3.25Å; E1085-N1089 PolarHBondContact OE1-ND2 3.41Å; E1087-N1089 PolarHBondContact O-N 2.84Å; N1089-R1273 PolarHBondContact O-NH1 3.13Å
1090D71Confident75.9Confident70 Ų7073.1 Ų73.137%0.37439%0.386SS..  trans-68.5158.1176.5-73.3-23.3000112E1087E1087-D1090 PolarHBondContact O-N 3.44Å
1091S75.4Confident75.4Confident36 Ų3676.2 Ų76.225%0.25239%0.391SS..  trans-83.2160.3-175.676.70000112.2Y1093 N1094S1091-Y1093 PolarHBondContact O-N 3.2Å; S1091-Y1093 VanDerWaalsContact O-N 3.15Å; S1091-Y1093 PolarHBondContact OG-N 2.71Å; S1091-N1094 VanDerWaalsContact O-CG 3.3Å; S1091-N1094 PolarHBondContact O-OD1 2.83Å; S1091-N1094 PolarHBondContact OG-OD1 3.24Å
1092I76.4Confident74.7Confident39 Ų3979.7 Ų79.720%0.241%0.414CS..THydrogen-bonded Turntrans-67-13.3171.9-58.4168.9000112.1F1098 H1276 W1278I1092-F1098 HydrophobicContact CG2-CE2 4.32Å; I1092-H1276 WeakPolarHBondContact CD1-O 3.22Å; I1092-H1276 WeakPolarHBondContact CG1-O 3.06Å; I1092-W1278 VanDerWaalsContact CD1-CA 3.48Å; I1092-W1278 HydrophobicContact CD1-CB 4.06Å; I1092-W1278 HydrophobicContact CD1-CD2 3.47Å; I1092-W1278 VanDerWaalsContact CD1-CD2 3.47Å; I1092-W1278 HydrophobicContact CD1-CE3 3.95Å; I1092-W1278 HydrophobicContact CD1-CG 3.5Å; I1092-W1278 HydrophobicContact CD1-CZ2 4.47Å; I1092-W1278 VanDerWaalsContact CD1-N 3.27Å; I1092-W1278 HydrophobicContact CG1-CD2 3.93Å; I1092-W1278 HydrophobicContact CG1-CG 4.2Å; I1092-W1278 HydrophobicContact CG1-CZ2 4.05Å; I1092-W1278 HydrophobicContact CG2-CH2 4.36Å; I1092-W1278 HydrophobicContact CG2-CZ2 4.48Å
1093Y72.4Confident74.1Confident23 Ų2387.2 Ų87.29%0.0945%0.449CS..THydrogen-bonded Turntrans-103.437.8-170.4-61.3-107.2000112.1S1091 D1095 G1096 F1098 F1175 F1275 H1276S1091-Y1093 PolarHBondContact O-N 3.2Å; S1091-Y1093 VanDerWaalsContact O-N 3.15Å; S1091-Y1093 PolarHBondContact OG-N 2.71Å; Y1093-D1095 VanDerWaalsContact C-N 3.31Å; Y1093-D1095 PolarHBondContact O-N 3.34Å; Y1093-G1096 PolarHBondContact O-N 3.29Å; Y1093-F1098 HydrophobicContact CD1-CB 3.8Å; Y1093-F1098 AromaticContact CD1-CD2 3.66Å; Y1093-F1098 HydrophobicContact CD1-CD2 3.66Å; Y1093-F1098 HydrophobicContact CD1-CG 4.07Å; Y1093-F1098 HydrophobicContact CD2-CD2 4.33Å; Y1093-F1098 HydrophobicContact CE1-CB 3.44Å; Y1093-F1098 VanDerWaalsContact CE1-CB 3.44Å; Y1093-F1098 HydrophobicContact CE1-CD1 4.35Å; Y1093-F1098 AromaticContact CE1-CD2 3.02Å; Y1093-F1098 HydrophobicContact CE1-CD2 3.02Å; Y1093-F1098 AromaticContact CE1-CE2 3.8Å; Y1093-F1098 HydrophobicContact CE1-CE2 3.8Å; Y1093-F1098 AromaticContact CE1-CG 3.34Å; Y1093-F1098 HydrophobicContact CE1-CG 3.34Å; Y1093-F1098 AromaticContact CE2-CD2 3.79Å; Y1093-F1098 HydrophobicContact CE2-CD2 3.79Å; Y1093-F1098 AromaticContact CE2-CE2 3.83Å; Y1093-F1098 HydrophobicContact CE2-CE2 3.83Å; Y1093-F1098 HydrophobicContact CG-CD2 4.28Å; Y1093-F1098 AromaticContact CZ-CD2 3.11Å; Y1093-F1098 AromaticContact CZ-CE2 3.34Å; Y1093-F1098 AromaticContact CZ-CG 3.8Å; Y1093-F1098 WeakPolarHBondContact OH-CD2 3.39Å; Y1093-F1098 WeakPolarHBondContact OH-CE2 3.48Å; Y1093-F1175 AromaticContact CE1-CD1 3.42Å; Y1093-F1175 HydrophobicContact CE1-CD1 3.42Å; Y1093-F1175 VanDerWaalsContact CE1-CD1 3.42Å; Y1093-F1175 AromaticContact CE1-CE1 3.55Å; Y1093-F1175 HydrophobicContact CE1-CE1 3.55Å; Y1093-F1175 HydrophobicContact CE1-CG 4.45Å; Y1093-F1175 AromaticContact CZ-CD1 3.81Å; Y1093-F1175 AromaticContact CZ-CE1 3.49Å; Y1093-F1175 VanDerWaalsContact CZ-CE1 3.49Å; Y1093-F1175 WeakPolarHBondContact OH-CD1 3.47Å; Y1093-F1175 WeakPolarHBondContact OH-CE1 3.49Å; Y1093-F1175 WeakPolarHBondContact OH-CZ 3.32Å; Y1093-F1275 VanDerWaalsContact CE2-O 3.31Å; Y1093-F1275 WeakPolarHBondContact CE2-O 3.32Å; Y1093-F1275 PolarHBondContact OH-O 3.18Å; Y1093-F1275 VanDerWaalsContact OH-O 3.07Å; Y1093-H1276 AromaticContact CD2-CE1 3.75Å; Y1093-H1276 AromaticContact CD2-ND1 3.02Å; Y1093-H1276 WeakPolarHBondContact CD2-ND1 3.47Å; Y1093-H1276 AromaticContact CE2-ND1 3.48Å; Y1093-H1276 WeakPolarHBondContact CE2-ND1 3.33Å; Y1093-H1276 AromaticContact CG-CE1 3.96Å; Y1093-H1276 AromaticContact CG-ND1 3.67Å
1094N67.1Low73.8Confident97 Ų9779.4 Ų79.452%0.51942%0.421SS..THydrogen-bonded Turntrans-60.6-39-175.5-75.5-8.9000112.6S1091S1091-N1094 VanDerWaalsContact O-CG 3.3Å; S1091-N1094 PolarHBondContact O-OD1 2.83Å; S1091-N1094 PolarHBondContact OG-OD1 3.24Å
1095D66.3Low73.5Confident151 Ų15174.6 Ų74.681%0.80742%0.416SS*.THydrogen-bonded Turntrans-902.2-174.9-58.2-24.4000114.4Y1093 N1097Y1093-D1095 VanDerWaalsContact C-N 3.31Å; Y1093-D1095 PolarHBondContact O-N 3.34Å; D1095-N1097 PolarHBondContact O-N 3.23Å; D1095-N1097 VanDerWaalsContact O-N 3.15Å
1096G65.9Low73.5Confident45 Ų4576.5 Ų76.546%0.46442%0.424SS..SBendtrans77.2-17.5-175.500000115.5Y1093Y1093-G1096 PolarHBondContact O-N 3.29Å
1097N67.9Low74Confident127 Ų12778.1 Ų78.168%0.67942%0.418SS*.  trans-100.2121.2174.5-73.6-25.7000111.4D1095D1095-N1097 PolarHBondContact O-N 3.23Å; D1095-N1097 VanDerWaalsContact O-N 3.15Å
1098F71.7Confident74.4Confident29 Ų2971.7 Ų71.713%0.12739%0.389CS..  trans-88.5113.5174.4-172.7-108.8000111.3I1092 Y1093 I1100 M1168 F1175 M1284I1092-F1098 HydrophobicContact CG2-CE2 4.32Å; Y1093-F1098 HydrophobicContact CD1-CB 3.8Å; Y1093-F1098 AromaticContact CD1-CD2 3.66Å; Y1093-F1098 HydrophobicContact CD1-CD2 3.66Å; Y1093-F1098 HydrophobicContact CD1-CG 4.07Å; Y1093-F1098 HydrophobicContact CD2-CD2 4.33Å; Y1093-F1098 HydrophobicContact CE1-CB 3.44Å; Y1093-F1098 VanDerWaalsContact CE1-CB 3.44Å; Y1093-F1098 HydrophobicContact CE1-CD1 4.35Å; Y1093-F1098 AromaticContact CE1-CD2 3.02Å; Y1093-F1098 HydrophobicContact CE1-CD2 3.02Å; Y1093-F1098 AromaticContact CE1-CE2 3.8Å; Y1093-F1098 HydrophobicContact CE1-CE2 3.8Å; Y1093-F1098 AromaticContact CE1-CG 3.34Å; Y1093-F1098 HydrophobicContact CE1-CG 3.34Å; Y1093-F1098 AromaticContact CE2-CD2 3.79Å; Y1093-F1098 HydrophobicContact CE2-CD2 3.79Å; Y1093-F1098 AromaticContact CE2-CE2 3.83Å; Y1093-F1098 HydrophobicContact CE2-CE2 3.83Å; Y1093-F1098 HydrophobicContact CG-CD2 4.28Å; Y1093-F1098 AromaticContact CZ-CD2 3.11Å; Y1093-F1098 AromaticContact CZ-CE2 3.34Å; Y1093-F1098 AromaticContact CZ-CG 3.8Å; Y1093-F1098 WeakPolarHBondContact OH-CD2 3.39Å; Y1093-F1098 WeakPolarHBondContact OH-CE2 3.48Å; F1098-I1100 HydrophobicContact CE1-CG1 3.88Å; F1098-M1168 HydrophobicContact CD1-CE 3.99Å; F1098-M1168 HydrophobicContact CD1-SD 4.15Å; F1098-M1168 HydrophobicContact CE1-SD 4.37Å; F1098-F1175 HydrophobicContact CB-CB 4.28Å; F1098-F1175 HydrophobicContact CD1-CB 4.02Å; F1098-F1175 HydrophobicContact CD1-CG 4.23Å; F1098-F1175 HydrophobicContact CG-CB 4.42Å; F1098-M1284 HydrophobicContact CE1-CE 3.93Å; F1098-M1284 HydrophobicContact CE1-SD 3.76Å; F1098-M1284 HydrophobicContact CZ-SD 4.1Å
1099V71.8Confident75.2Confident102 Ų10266.4 Ų66.462%0.61836%0.36SS*.  trans-115123.9174.3-1760000108.5K1101V1099-K1101 PolarHBondContact O-N 3.33Å
1100I75.6Confident75.5Confident5 Ų567.3 Ų67.33%0.02637%0.365CS..  trans-67.3104.2173.7-58.1177.7000107.4F1098 M1168 Q1281 M1284 V1285F1098-I1100 HydrophobicContact CE1-CG1 3.88Å; I1100-M1168 HydrophobicContact CD1-SD 3.95Å; I1100-M1168 HydrophobicContact CG1-SD 4.26Å; I1100-Q1281 HydrophobicContact CG2-CG 3.94Å; I1100-Q1281 VanDerWaalsContact CG2-NE2 3.31Å; I1100-M1284 HydrophobicContact CD1-CE 4.37Å; I1100-V1285 HydrophobicContact CG2-CG2 4.44Å
1101K75.9Confident75.8Confident113 Ų11366.5 Ų66.549%0.49136%0.361SS..  trans-72.2125.6177.8-67.2-173179.2-176.80110.1V1099 E1103 W1278 Q1281V1099-K1101 PolarHBondContact O-N 3.33Å; K1101-E1103 PolarHBondContact O-N 3.42Å; K1101-W1278 HydrophobicContact CD-CH2 4.16Å; K1101-W1278 HydrophobicContact CD-CZ3 4.28Å; K1101-Q1281 VanDerWaalsContact N-NE2 3.19Å; K1101-Q1281 PolarHBondContact O-NE2 3.37Å
1102P74Confident75.7Confident87 Ų8767.5 Ų67.557%0.56537%0.366SS*.SBendtrans-59.5-31.6178.120.8-29.9000112.3
1103E77.1Confident75.7Confident172 Ų17270 Ų7080%0.80438%0.375SS*.  trans-98.9102.9175.4-62.4-175.2173.100111.5K1101K1101-E1103 PolarHBondContact O-N 3.42Å
1104N80.9Confident75.8Confident28 Ų2877 Ų7715%0.1541%0.406CS..  trans-93.8128.8171.9-173.5-19.2000109.6Q1106 W1278 H1282N1104-Q1106 PolarHBondContact O-N 3.14Å; N1104-Q1106 VanDerWaalsContact O-N 3.15Å; N1104-Q1106 PolarHBondContact OD1-N 3.4Å; N1104-Q1106 VanDerWaalsContact OD1-N 3.13Å; N1104-W1278 PolarHBondContact ND2-O 3.36Å; N1104-H1282 PolarHBondContact ND2-CD2 3.33Å; N1104-H1282 PolarHBondContact ND2-NE2 2.91Å
1105P79.4Confident76.2Confident95 Ų9573.4 Ų73.462%0.61739%0.388SS*.SBendtrans-63.9-17.4-179.825.2-35.8000114.3W1278P1105-W1278 HydrophobicContact CG-CD2 4.06Å; P1105-W1278 HydrophobicContact CG-CE3 4.16Å; P1105-W1278 HydrophobicContact CG-CG 4.47Å; P1105-W1278 HydrophobicContact CG-CZ3 4.47Å
1106Q80.1Confident76.8Confident60 Ų6074.2 Ų74.228%0.2838%0.381SS..SBendtrans-100.7139.5176.9-60.9-63.6-17.200111.1N1104 W1278 Y1279 H1282N1104-Q1106 PolarHBondContact O-N 3.14Å; N1104-Q1106 VanDerWaalsContact O-N 3.15Å; N1104-Q1106 PolarHBondContact OD1-N 3.4Å; N1104-Q1106 VanDerWaalsContact OD1-N 3.13Å; Q1106-W1278 HydrophobicContact CG-CB 4.46Å; Q1106-Y1279 HydrophobicContact CB-CE1 4.08Å; Q1106-Y1279 HydrophobicContact CG-CE1 3.99Å; Q1106-H1282 PolarHBondContact O-NE2 3.41Å
1107Y83.3Confident77.6Confident78 Ų7872.5 Ų72.531%0.30636%0.362SS..  trans-66.4154.7178.868.3-89.6000112.5F1109 D1118Y1107-F1109 HydrophobicContact CE2-CB 4.19Å; Y1107-F1109 PolarHBondContact O-N 3Å; Y1107-F1109 VanDerWaalsContact O-N 3.1Å; Y1107-D1118 PolarHBondContact OH-OD1 3.19Å; Y1107-D1118 PolarHBondContact OH-OD2 2.65Å
1108D81.5Confident78.4Confident35 Ų3566.5 Ų66.519%0.18733%0.33CS..  trans-72.9102.4177.4-171.4-6.8000111.1I1110 T1112 K1505D1108-I1110 VanDerWaalsContact C-N 3.34Å; D1108-I1110 WeakPolarHBondContact OD1-CB 3.47Å; D1108-I1110 PolarHBondContact OD1-N 3.4Å; D1108-T1112 PolarHBondContact O-N 3.12Å; D1108-T1112 PolarHBondContact O-OG1 3.25Å; D1108-K1505 IonicContact OD2-NZ 3.11Å
1109F87.4Confident78.9Confident1 Ų169.8 Ų69.80%0.00434%0.342CS..THydrogen-bonded Turntrans-79.8-11.3179.264.9-89000113.5Y1107 K1113 D1118 K1121 F1125 Y1279 H1282Y1107-F1109 HydrophobicContact CE2-CB 4.19Å; Y1107-F1109 PolarHBondContact O-N 3Å; Y1107-F1109 VanDerWaalsContact O-N 3.1Å; F1109-K1113 WeakPolarHBondContact O-CG 3.13Å; F1109-D1118 HydrophobicContact CB-CB 4.26Å; F1109-K1121 HydrophobicContact CD2-CB 3.86Å; F1109-K1121 HydrophobicContact CE2-CB 4.14Å; F1109-K1121 HydrophobicContact CG-CB 4.28Å; F1109-K1121 HydrophobicContact CG-CD 4.43Å; F1109-F1125 HydrophobicContact CE2-CB 4.49Å; F1109-F1125 HydrophobicContact CZ-CB 4.05Å; F1109-F1125 HydrophobicContact CZ-CD2 4.22Å; F1109-F1125 HydrophobicContact CZ-CG 4.46Å; F1109-Y1279 HydrophobicContact CD1-CD1 4.01Å; F1109-Y1279 AromaticContact CE1-CD1 3.8Å; F1109-Y1279 HydrophobicContact CE1-CD1 3.8Å; F1109-Y1279 HydrophobicContact CE1-CG 4.28Å; F1109-H1282 HydrophobicContact CE1-CB 4.26Å
1110I83.8Confident79.4Confident21 Ų2171.3 Ų71.311%0.10834%0.341CS..THydrogen-bonded Turntrans-79.3-48.4-179-58.8177.7000109.7D1108 K1113 H1282 C1283 E1286D1108-I1110 VanDerWaalsContact C-N 3.34Å; D1108-I1110 WeakPolarHBondContact OD1-CB 3.47Å; D1108-I1110 PolarHBondContact OD1-N 3.4Å; I1110-K1113 VanDerWaalsContact O-CE 3.31Å; I1110-K1113 WeakPolarHBondContact O-CE 3.48Å; I1110-H1282 HydrophobicContact CD1-CB 4.19Å; I1110-C1283 HydrophobicContact CD1-CB 4.39Å; I1110-E1286 HydrophobicContact CD1-CB 4.21Å; I1110-E1286 HydrophobicContact CG2-CG 4.44Å
1111D77.2Confident80Confident53 Ų5371.7 Ų71.728%0.28334%0.342SS..THydrogen-bonded Turntrans-83.3-40.2-178.9-69.5-5.4000112.1K1505D1111-K1505 IonicContact OD1-NZ 3.13Å; D1111-K1505 PolarHBondContact OD1-NZ 3.26Å; D1111-K1505 WeakPolarHBondContact OD2-CD 3.2Å; D1111-K1505 IonicContact OD2-NZ 3.23Å; D1111-K1505 PolarHBondContact OD2-NZ 3.21Å
1112T73.3Confident80.5Confident57 Ų5766.8 Ų66.835%0.3532%0.322SS..  trans-108.482.8-178.366.70000112.1D1108 K1114D1108-T1112 PolarHBondContact O-N 3.12Å; D1108-T1112 PolarHBondContact O-OG1 3.25Å; T1112-K1114 PolarHBondContact O-N 3.27Å; T1112-K1114 VanDerWaalsContact O-N 3.16Å
1113K77.3Confident81.1Confident91 Ų9168 Ų6840%0.39632%0.318SS..  trans-81.590.4178-61.6-179.6-175.3-179.50110.9F1109 I1110 Y1119F1109-K1113 WeakPolarHBondContact O-CG 3.13Å; I1110-K1113 VanDerWaalsContact O-CE 3.31Å; I1110-K1113 WeakPolarHBondContact O-CE 3.48Å; K1113-Y1119 HydrophobicContact CB-CE2 3.97Å; K1113-Y1119 HydrophobicContact CD-CD1 4.04Å; K1113-Y1119 HydrophobicContact CD-CE1 3.66Å; K1113-Y1119 HydrophobicContact CD-CE2 4.3Å
1114K74.6Confident81.6Confident170 Ų17062 Ų6274%0.73929%0.293SS*.  trans-89-35.3-177-64.9179.7-176.7175.30112.9T1112 D1118T1112-K1114 PolarHBondContact O-N 3.27Å; T1112-K1114 VanDerWaalsContact O-N 3.16Å; K1114-D1118 PolarHBondContact N-OD2 3.43Å
1115S75.8Confident82Confident22 Ų2262 Ų6215%0.15429%0.292CS..SBendtrans-122.5156.9-174.7178.60000111.8V1117 D1118S1115-V1117 PolarHBondContact O-N 3Å; S1115-V1117 PolarHBondContact OG-N 3.2Å; S1115-D1118 PolarHBondContact N-OD2 3.42Å; S1115-D1118 WeakPolarHBondContact O-CB 3.24Å; S1115-D1118 PolarHBondContact O-N 3.02Å
1116Y77.6Confident82.3Confident167 Ų16758.1 Ų58.166%0.65527%0.266SS*.Hα-helixtrans-58.7-27.4168.4-76.5-75.6000112.3D1118 Y1119 F1120Y1116-D1118 PolarHBondContact O-N 3.48Å; Y1116-Y1119 PolarHBondContact O-N 2.83Å; Y1116-F1120 PolarHBondContact O-N 3.17Å
1117V83.9Confident82.7Confident10 Ų1059.7 Ų59.76%0.06127%0.27CS..Hα-helixtrans-62.5-32.8173.3-178.20000110.9S1115 F1120 K1121S1115-V1117 PolarHBondContact O-N 3Å; S1115-V1117 PolarHBondContact OG-N 3.2Å; V1117-F1120 WeakPolarHBondContact O-CB 3.27Å; V1117-F1120 PolarHBondContact O-N 3.19Å; V1117-K1121 HydrophobicContact CG1-CG 4.44Å; V1117-K1121 WeakPolarHBondContact O-CG 3.47Å; V1117-K1121 PolarHBondContact O-N 2.96Å
1118D85.2Confident82.9Confident0 Ų056.4 Ų56.40%026%0.259CS..Hα-helixtrans-69.2-35.7178.3-60.6-32.5000112.1Y1107 F1109 K1114 S1115 Y1116 F1120 K1121 S1122Y1107-D1118 PolarHBondContact OH-OD1 3.19Å; Y1107-D1118 PolarHBondContact OH-OD2 2.65Å; F1109-D1118 HydrophobicContact CB-CB 4.26Å; K1114-D1118 PolarHBondContact N-OD2 3.43Å; S1115-D1118 PolarHBondContact N-OD2 3.42Å; S1115-D1118 WeakPolarHBondContact O-CB 3.24Å; S1115-D1118 PolarHBondContact O-N 3.02Å; Y1116-D1118 PolarHBondContact O-N 3.48Å; D1118-F1120 VanDerWaalsContact C-N 3.33Å; D1118-K1121 PolarHBondContact O-N 3.07Å; D1118-S1122 WeakPolarHBondContact O-CB 3.48Å; D1118-S1122 PolarHBondContact O-N 3.26Å
1119Y80.9Confident83.1Confident99 Ų9954.8 Ų54.839%0.38825%0.251SS..Hα-helixtrans-63.4-41.9171.6-74.2-89.9000111.2K1113 Y1116 S1122 F1123K1113-Y1119 HydrophobicContact CB-CE2 3.97Å; K1113-Y1119 HydrophobicContact CD-CD1 4.04Å; K1113-Y1119 HydrophobicContact CD-CE1 3.66Å; K1113-Y1119 HydrophobicContact CD-CE2 4.3Å; Y1116-Y1119 PolarHBondContact O-N 2.83Å; Y1119-S1122 PolarHBondContact O-N 2.95Å; Y1119-F1123 PolarHBondContact O-N 2.93Å
1120F83.9Confident83.2Confident134 Ų13457.1 Ų57.159%0.58826%0.259SS*.Hα-helixtrans-66.1-42.2176.3-174.7-104.4000112Y1116 V1117 D1118 S1122 F1123 V1124Y1116-F1120 PolarHBondContact O-N 3.17Å; V1117-F1120 WeakPolarHBondContact O-CB 3.27Å; V1117-F1120 PolarHBondContact O-N 3.19Å; D1118-F1120 VanDerWaalsContact C-N 3.33Å; F1120-S1122 PolarHBondContact O-N 3.29Å; F1120-F1123 WeakPolarHBondContact O-CB 3.23Å; F1120-F1123 PolarHBondContact O-N 3.11Å; F1120-V1124 HydrophobicContact CD1-CG2 4.4Å; F1120-V1124 HydrophobicContact CE1-CG2 3.99Å; F1120-V1124 HydrophobicContact CE2-CG2 4.39Å; F1120-V1124 HydrophobicContact CZ-CG2 3.99Å; F1120-V1124 WeakPolarHBondContact O-CG2 3.2Å; F1120-V1124 PolarHBondContact O-N 3.03Å
1121K87.9Confident83.4Confident12 Ų1259.3 Ų59.35%0.05227%0.271CS..Hα-helixtrans-58.6-46.1171.6-73.9179.5177.5-175.40111.7D940 F1109 V1117 D1118 F1123 V1124 F1125 Y1279D940-K1121 WeakPolarHBondContact OD1-CE 3.47Å; D940-K1121 IonicContact OD1-NZ 2.66Å; D940-K1121 PolarHBondContact OD1-NZ 3.34Å; D940-K1121 IonicContact OD2-NZ 2.71Å; D940-K1121 PolarHBondContact OD2-NZ 2.9Å; F1109-K1121 HydrophobicContact CD2-CB 3.86Å; F1109-K1121 HydrophobicContact CE2-CB 4.14Å; F1109-K1121 HydrophobicContact CG-CB 4.28Å; F1109-K1121 HydrophobicContact CG-CD 4.43Å; V1117-K1121 HydrophobicContact CG1-CG 4.44Å; V1117-K1121 WeakPolarHBondContact O-CG 3.47Å; V1117-K1121 PolarHBondContact O-N 2.96Å; D1118-K1121 PolarHBondContact O-N 3.07Å; K1121-F1123 VanDerWaalsContact C-N 3.29Å; K1121-F1123 PolarHBondContact O-N 3.44Å; K1121-V1124 PolarHBondContact O-N 3.39Å; K1121-F1125 HydrophobicContact CB-CD2 4.02Å; K1121-F1125 HydrophobicContact CB-CE2 4.27Å; K1121-F1125 HydrophobicContact CG-CD2 4.44Å; K1121-F1125 HydrophobicContact CG-CE2 4.19Å; K1121-F1125 WeakPolarHBondContact O-CB 3.28Å; K1121-F1125 VanDerWaalsContact O-CD2 3.23Å; K1121-F1125 WeakPolarHBondContact O-CD2 3.35Å; K1121-F1125 PolarHBondContact O-N 3.48Å; K1121-Y1279 HydrophobicContact CD-CE1 4.39Å
1122S85.7Confident84Confident11 Ų1157 Ų578%0.07726%0.258CS..Hα-helixtrans-58-42.1176.3-175.80000111.5D1118 Y1119 F1120 H1126D1118-S1122 WeakPolarHBondContact O-CB 3.48Å; D1118-S1122 PolarHBondContact O-N 3.26Å; Y1119-S1122 PolarHBondContact O-N 2.95Å; F1120-S1122 PolarHBondContact O-N 3.29Å; S1122-H1126 WeakPolarHBondContact O-CB 3.16Å; S1122-H1126 PolarHBondContact O-N 3.48Å
1123F86.1Confident84.8Confident111 Ų11154.6 Ų54.649%0.48724%0.244SC..Iπ-helixtrans-61.6-50.8175.5-179-103.3000112.9Y1119 F1120 K1121 Y1127 G1128 I1131Y1119-F1123 PolarHBondContact O-N 2.93Å; F1120-F1123 WeakPolarHBondContact O-CB 3.23Å; F1120-F1123 PolarHBondContact O-N 3.11Å; K1121-F1123 VanDerWaalsContact C-N 3.29Å; K1121-F1123 PolarHBondContact O-N 3.44Å; F1123-Y1127 HydrophobicContact CD2-CD2 4.49Å; F1123-Y1127 PolarHBondContact O-N 2.97Å; F1123-G1128 PolarHBondContact O-N 2.98Å; F1123-I1131 HydrophobicContact CE1-CD1 4.29Å; F1123-I1131 HydrophobicContact CE2-CD1 4.47Å; F1123-I1131 HydrophobicContact CZ-CD1 3.85Å
1124V87.8Confident85.2Confident46 Ų4652.9 Ų52.928%0.27924%0.238SC..Iπ-helixtrans-67.5-50.5-177.2175.70000112F1120 K1121 G1128 I1274F1120-V1124 HydrophobicContact CD1-CG2 4.4Å; F1120-V1124 HydrophobicContact CE1-CG2 3.99Å; F1120-V1124 HydrophobicContact CE2-CG2 4.39Å; F1120-V1124 HydrophobicContact CZ-CG2 3.99Å; F1120-V1124 WeakPolarHBondContact O-CG2 3.2Å; F1120-V1124 PolarHBondContact O-N 3.03Å; K1121-V1124 PolarHBondContact O-N 3.39Å; V1124-G1128 WeakPolarHBondContact O-CA 3.46Å; V1124-G1128 PolarHBondContact O-N 3.02Å; V1124-I1274 HydrophobicContact CG1-CD1 3.94Å
1125F89.7Confident85.9Confident30 Ų3045.6 Ų45.613%0.13221%0.208CC..Iπ-helixtrans-82.8-35.6-171.3-65.2-66.5000113.6F1109 K1121 I1274 S1277 Y1279F1109-F1125 HydrophobicContact CE2-CB 4.49Å; F1109-F1125 HydrophobicContact CZ-CB 4.05Å; F1109-F1125 HydrophobicContact CZ-CD2 4.22Å; F1109-F1125 HydrophobicContact CZ-CG 4.46Å; K1121-F1125 HydrophobicContact CB-CD2 4.02Å; K1121-F1125 HydrophobicContact CB-CE2 4.27Å; K1121-F1125 HydrophobicContact CG-CD2 4.44Å; K1121-F1125 HydrophobicContact CG-CE2 4.19Å; K1121-F1125 WeakPolarHBondContact O-CB 3.28Å; K1121-F1125 VanDerWaalsContact O-CD2 3.23Å; K1121-F1125 WeakPolarHBondContact O-CD2 3.35Å; K1121-F1125 PolarHBondContact O-N 3.48Å; F1125-I1274 HydrophobicContact CD1-CB 4.49Å; F1125-I1274 HydrophobicContact CD1-CG1 4.24Å; F1125-I1274 HydrophobicContact CD1-CG2 3.79Å; F1125-I1274 HydrophobicContact CE1-CG1 4.14Å; F1125-I1274 HydrophobicContact CE1-CG2 4.35Å; F1125-S1277 WeakPolarHBondContact CE1-OG 3.42Å; F1125-Y1279 HydrophobicContact CD2-CD2 4.38Å; F1125-Y1279 AromaticContact CD2-CG 3.99Å; F1125-Y1279 HydrophobicContact CD2-CG 3.99Å; F1125-Y1279 AromaticContact CE1-CD2 3.89Å; F1125-Y1279 HydrophobicContact CE1-CD2 3.89Å; F1125-Y1279 HydrophobicContact CE1-CG 4.24Å; F1125-Y1279 HydrophobicContact CE2-CD1 4.35Å; F1125-Y1279 AromaticContact CE2-CD2 3.58Å; F1125-Y1279 HydrophobicContact CE2-CD2 3.58Å; F1125-Y1279 HydrophobicContact CE2-CE2 4.33Å; F1125-Y1279 AromaticContact CE2-CG 3.6Å; F1125-Y1279 HydrophobicContact CE2-CG 3.6Å; F1125-Y1279 HydrophobicContact CG-CG 4.48Å; F1125-Y1279 AromaticContact CZ-CD2 3.3Å; F1125-Y1279 HydrophobicContact CZ-CD2 3.3Å; F1125-Y1279 HydrophobicContact CZ-CE2 4.11Å; F1125-Y1279 AromaticContact CZ-CG 3.75Å; F1125-Y1279 HydrophobicContact CZ-CG 3.75Å
1126H86.5Confident86.5Confident12 Ų1244.6 Ų44.66%0.05620%0.201CC..Iπ-helixtrans-88.2-39.7-177-172.469.5000112.9S1122 H1129 Y1287S1122-H1126 WeakPolarHBondContact O-CB 3.16Å; S1122-H1126 PolarHBondContact O-N 3.48Å; H1126-H1129 PolarHBondContact O-CE1 3.3Å; H1126-H1129 PolarHBondContact O-ND1 3.29Å; H1126-Y1287 AromaticContact CE1-CE1 3.39Å; H1126-Y1287 WeakPolarHBondContact CE1-CE1 3.43Å; H1126-Y1287 AromaticContact CE1-CZ 3.83Å; H1126-Y1287 AromaticContact ND1-CE1 3.82Å; H1126-Y1287 AromaticContact ND1-CZ 3.77Å; H1126-Y1287 PolarHBondContact ND1-OH 3.16Å; H1126-Y1287 PolarHBondContact O-OH 3.06Å
1127Y87.3Confident87.1Confident94 Ų9437 Ų3737%0.36917%0.172SC..Iπ-helixtrans-102-12.3-177.2-60.9-61000114.5F1123 H1129 W1130F1123-Y1127 HydrophobicContact CD2-CD2 4.49Å; F1123-Y1127 PolarHBondContact O-N 2.97Å; Y1127-H1129 VanDerWaalsContact C-N 3.26Å; Y1127-H1129 PolarHBondContact O-N 3.48Å; Y1127-H1129 VanDerWaalsContact O-N 3.15Å; Y1127-W1130 PolarHBondContact O-N 3.3Å; Y1127-W1130 VanDerWaalsContact O-N 3.1Å
1128G87.2Confident87.2Confident8 Ų838.7 Ų38.78%0.08219%0.187CC..Hα-helixtrans-55.5-33.8-175.500000115.3F1123 V1124 W1130 I1131 T1132F1123-G1128 PolarHBondContact O-N 2.98Å; V1124-G1128 WeakPolarHBondContact O-CA 3.46Å; V1124-G1128 PolarHBondContact O-N 3.02Å; G1128-W1130 PolarHBondContact O-N 2.9Å; G1128-I1131 WeakPolarHBondContact O-CB 3.44Å; G1128-I1131 PolarHBondContact O-N 3.34Å; G1128-T1132 WeakPolarHBondContact O-CG2 3.44Å; G1128-T1132 PolarHBondContact O-N 3.3Å
1129H87.2Confident87.2Confident2 Ų239.1 Ų39.11%0.00919%0.19CC..Hα-helixtrans-65.6-35.5179.273.1-88000113.2H1126 Y1127 I1131 T1132 L1133 Y1166 Y1287H1126-H1129 PolarHBondContact O-CE1 3.3Å; H1126-H1129 PolarHBondContact O-ND1 3.29Å; Y1127-H1129 VanDerWaalsContact C-N 3.26Å; Y1127-H1129 PolarHBondContact O-N 3.48Å; Y1127-H1129 VanDerWaalsContact O-N 3.15Å; H1129-I1131 VanDerWaalsContact C-N 3.34Å; H1129-T1132 WeakPolarHBondContact CA-OG1 3.45Å; H1129-T1132 PolarHBondContact O-N 3.4Å; H1129-T1132 PolarHBondContact O-OG1 2.97Å; H1129-L1133 WeakPolarHBondContact O-CG 3.29Å; H1129-L1133 PolarHBondContact O-N 2.98Å; H1129-L1133 VanDerWaalsContact O-N 3.13Å; H1129-Y1166 WeakPolarHBondContact CB-OH 3.49Å; H1129-Y1166 AromaticContact CD2-CE2 3.54Å; H1129-Y1166 AromaticContact CD2-CZ 3.86Å; H1129-Y1166 PolarHBondContact CD2-OH 3.36Å; H1129-Y1166 AromaticContact CG-CE2 3.88Å; H1129-Y1166 AromaticContact CG-CZ 3.94Å; H1129-Y1166 AromaticContact NE2-CE2 3.63Å; H1129-Y1287 PolarHBondContact CE1-OH 2.67Å; H1129-Y1287 VanDerWaalsContact CE1-OH 3.26Å
1130W88.2Confident87.4Confident49 Ų4934.4 Ų34.419%0.18617%0.171CC..Hα-helixtrans-63-45.2173.8-67.3105.6000109.8Y1127 G1128 T1132 L1133 M1134 L1159 N1163Y1127-W1130 PolarHBondContact O-N 3.3Å; Y1127-W1130 VanDerWaalsContact O-N 3.1Å; G1128-W1130 PolarHBondContact O-N 2.9Å; W1130-T1132 VanDerWaalsContact C-N 3.3Å; W1130-T1132 PolarHBondContact O-N 3.01Å; W1130-L1133 PolarHBondContact O-N 2.86Å; W1130-L1133 VanDerWaalsContact O-N 3.12Å; W1130-M1134 WeakPolarHBondContact O-CE 3.34Å; W1130-M1134 VanDerWaalsContact O-CG 3.29Å; W1130-M1134 WeakPolarHBondContact O-CG 3.19Å; W1130-M1134 PolarHBondContact O-N 3.27Å; W1130-L1159 HydrophobicContact CE3-CD1 3.86Å; W1130-L1159 HydrophobicContact CZ3-CD1 3.48Å; W1130-L1159 VanDerWaalsContact CZ3-CD1 3.48Å; W1130-L1159 HydrophobicContact CZ3-CG 4.46Å; W1130-N1163 WeakPolarHBondContact CZ2-OD1 3.44Å
1131I88.1Confident87.4Confident67 Ų6730.1 Ų30.134%0.34415%0.154SC..Hα-helixtrans-58.3-43.2178.8-59.3174.8000111.1F1123 G1128 H1129 L1133 M1134 S1135 F1267F1123-I1131 HydrophobicContact CE1-CD1 4.29Å; F1123-I1131 HydrophobicContact CE2-CD1 4.47Å; F1123-I1131 HydrophobicContact CZ-CD1 3.85Å; G1128-I1131 WeakPolarHBondContact O-CB 3.44Å; G1128-I1131 PolarHBondContact O-N 3.34Å; H1129-I1131 VanDerWaalsContact C-N 3.34Å; I1131-L1133 PolarHBondContact O-N 2.88Å; I1131-M1134 WeakPolarHBondContact O-CB 3.5Å; I1131-M1134 PolarHBondContact O-N 3.48Å; I1131-S1135 PolarHBondContact O-N 3.46Å; I1131-F1267 HydrophobicContact CG2-CE1 4.09Å
1132T90.5Very high87.1Confident4 Ų431.7 Ų31.73%0.02517%0.169CC..Hα-helixtrans-64.6-38.6178.160.30000112.7G1128 H1129 W1130 M1134 S1135 T1136 W1182 F1267 Q1271G1128-T1132 WeakPolarHBondContact O-CG2 3.44Å; G1128-T1132 PolarHBondContact O-N 3.3Å; H1129-T1132 WeakPolarHBondContact CA-OG1 3.45Å; H1129-T1132 PolarHBondContact O-N 3.4Å; H1129-T1132 PolarHBondContact O-OG1 2.97Å; W1130-T1132 VanDerWaalsContact C-N 3.3Å; W1130-T1132 PolarHBondContact O-N 3.01Å; T1132-M1134 VanDerWaalsContact C-N 3.34Å; T1132-M1134 PolarHBondContact O-N 3.12Å; T1132-S1135 WeakPolarHBondContact O-CB 3.41Å; T1132-S1135 PolarHBondContact O-N 3.38Å; T1132-T1136 PolarHBondContact O-N 3.47Å; T1132-T1136 PolarHBondContact O-OG1 3.49Å; T1132-W1182 VanDerWaalsContact OG1-CH2 3.24Å; T1132-W1182 WeakPolarHBondContact OG1-CH2 3.44Å; T1132-F1267 HydrophobicContact CG2-CB 3.9Å; T1132-F1267 HydrophobicContact CG2-CD1 4.22Å; T1132-F1267 HydrophobicContact CG2-CG 4.49Å; T1132-Q1271 HydrophobicContact CG2-CB 3.67Å; T1132-Q1271 HydrophobicContact CG2-CG 3.93Å
1133L89.2Confident86.6Confident8 Ų831.6 Ų31.64%0.04217%0.17CC..Hα-helixtrans-65.1-36.9173.4-69.2176.2000112H1129 W1130 I1131 S1135 T1136 L1137 M1158 L1159 W1182H1129-L1133 WeakPolarHBondContact O-CG 3.29Å; H1129-L1133 PolarHBondContact O-N 2.98Å; H1129-L1133 VanDerWaalsContact O-N 3.13Å; W1130-L1133 PolarHBondContact O-N 2.86Å; W1130-L1133 VanDerWaalsContact O-N 3.12Å; I1131-L1133 PolarHBondContact O-N 2.88Å; L1133-S1135 VanDerWaalsContact C-N 3.34Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.47Å; L1133-T1136 PolarHBondContact O-N 2.84Å; L1133-T1136 PolarHBondContact O-OG1 2.98Å; L1133-L1137 WeakPolarHBondContact O-CB 3.35Å; L1133-L1137 PolarHBondContact O-N 2.77Å; L1133-M1158 HydrophobicContact CD1-CB 4.36Å; L1133-M1158 HydrophobicContact CD2-CB 3.78Å; L1133-M1158 HydrophobicContact CD2-CG 4.41Å; L1133-L1159 HydrophobicContact CD1-CD1 4.48Å; L1133-W1182 HydrophobicContact CD2-CH2 3.82Å; L1133-W1182 HydrophobicContact CD2-CZ2 4.3Å; L1133-W1182 HydrophobicContact CD2-CZ3 4.49Å; L1133-W1182 HydrophobicContact CG-CH2 4.01Å; L1133-W1182 HydrophobicContact CG-CZ2 4.47Å
1134M86.1Confident86.2Confident55 Ų5527.4 Ų27.427%0.27115%0.154SC..Hα-helixtrans-62.2-43.6173.2-51.3-5684.300110.8W1130 I1131 T1132 T1136 L1137 A1138 L1159 F1676W1130-M1134 WeakPolarHBondContact O-CE 3.34Å; W1130-M1134 VanDerWaalsContact O-CG 3.29Å; W1130-M1134 WeakPolarHBondContact O-CG 3.19Å; W1130-M1134 PolarHBondContact O-N 3.27Å; I1131-M1134 WeakPolarHBondContact O-CB 3.5Å; I1131-M1134 PolarHBondContact O-N 3.48Å; T1132-M1134 VanDerWaalsContact C-N 3.34Å; T1132-M1134 PolarHBondContact O-N 3.12Å; M1134-T1136 PolarHBondContact O-N 3.2Å; M1134-L1137 PolarHBondContact O-N 3.19Å; M1134-A1138 WeakPolarHBondContact O-CB 3.48Å; M1134-A1138 PolarHBondContact O-N 3.38Å; M1134-L1159 HydrophobicContact CE-CD1 4.22Å; M1134-F1676 HydrophobicContact CE-CD1 3.61Å; M1134-F1676 HydrophobicContact CE-CE1 2.94Å; M1134-F1676 HydrophobicContact CE-CE2 4.2Å; M1134-F1676 HydrophobicContact CE-CZ 3.27Å; M1134-F1676 HydrophobicContact CG-CZ 4.45Å; M1134-F1676 HydrophobicContact SD-CD1 3.46Å; M1134-F1676 WeakPolarHBondContact SD-CD1 3.49Å; M1134-F1676 HydrophobicContact SD-CD2 3.75Å; M1134-F1676 HydrophobicContact SD-CE1 3.14Å; M1134-F1676 WeakPolarHBondContact SD-CE1 3.42Å; M1134-F1676 HydrophobicContact SD-CE2 3.33Å; M1134-F1676 WeakPolarHBondContact SD-CE2 3.28Å; M1134-F1676 HydrophobicContact SD-CG 3.8Å; M1134-F1676 HydrophobicContact SD-CZ 3.02Å; M1134-F1676 WeakPolarHBondContact SD-CZ 3.26Å
1135S88.7Confident86.1Confident16 Ų1625.4 Ų25.411%0.11214%0.142CC..Hα-helixtrans-62.7-41.3179.7-174.40000111.9I1131 T1132 L1133 A1138 A1139 F1267I1131-S1135 PolarHBondContact O-N 3.46Å; T1132-S1135 WeakPolarHBondContact O-CB 3.41Å; T1132-S1135 PolarHBondContact O-N 3.38Å; L1133-S1135 VanDerWaalsContact C-N 3.34Å; S1135-A1138 PolarHBondContact O-N 3.42Å; S1135-A1139 PolarHBondContact O-N 3.04Å; S1135-A1139 VanDerWaalsContact O-N 3.11Å; S1135-F1267 WeakPolarHBondContact OG-CD2 3.49Å
1136T89.9Confident85.9Confident1 Ų127.2 Ų27.21%0.00615%0.153CC..Hα-helixtrans-71.2-33.2176.348.30000112.2T1132 L1133 M1134 A1139 G1140 T1155 L1185 A1264 L1268T1132-T1136 PolarHBondContact O-N 3.47Å; T1132-T1136 PolarHBondContact O-OG1 3.49Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.47Å; L1133-T1136 PolarHBondContact O-N 2.84Å; L1133-T1136 PolarHBondContact O-OG1 2.98Å; M1134-T1136 PolarHBondContact O-N 3.2Å; T1136-A1139 PolarHBondContact O-N 2.91Å; T1136-G1140 PolarHBondContact O-N 3.05Å; T1136-T1155 WeakPolarHBondContact OG1-CG2 3.42Å; T1136-L1185 HydrophobicContact CG2-CD2 4.14Å; T1136-A1264 HydrophobicContact CG2-CB 4.23Å; T1136-L1268 HydrophobicContact CG2-CD1 4.21Å; T1136-L1268 HydrophobicContact CG2-CD2 4.34Å; T1136-L1268 HydrophobicContact CG2-CG 4.32Å
1137L89.3Confident86Confident9 Ų927.5 Ų27.55%0.04715%0.154CC..Hα-helixtrans-68.8-40.9174.3-175.971000110.2L1133 M1134 A1139 G1140 I1141 I1152 T1155 I1672 F1676L1133-L1137 WeakPolarHBondContact O-CB 3.35Å; L1133-L1137 PolarHBondContact O-N 2.77Å; M1134-L1137 PolarHBondContact O-N 3.19Å; L1137-A1139 VanDerWaalsContact C-N 3.31Å; L1137-A1139 PolarHBondContact O-N 2.88Å; L1137-G1140 CarbonylContact O-C 3.44Å; L1137-G1140 WeakPolarHBondContact O-CA 3.5Å; L1137-G1140 PolarHBondContact O-N 2.62Å; L1137-I1141 HydrophobicContact CD1-CD1 4.46Å; L1137-I1141 HydrophobicContact CD2-CD1 4.12Å; L1137-I1141 HydrophobicContact CG-CD1 3.7Å; L1137-I1141 HydrophobicContact CG-CG1 4.39Å; L1137-I1141 WeakPolarHBondContact O-CD1 3.45Å; L1137-I1141 WeakPolarHBondContact O-CG1 3.44Å; L1137-I1141 PolarHBondContact O-N 2.98Å; L1137-I1152 HydrophobicContact CD1-CG1 4.26Å; L1137-I1152 HydrophobicContact CD1-CG2 4.46Å; L1137-T1155 HydrophobicContact CB-CG2 4.31Å; L1137-T1155 VanDerWaalsContact CD1-OG1 3.29Å; L1137-T1155 WeakPolarHBondContact CD1-OG1 3.44Å; L1137-I1672 HydrophobicContact CD2-CG2 3.94Å; L1137-F1676 HydrophobicContact CD2-CE1 4.28Å; L1137-F1676 HydrophobicContact CD2-CE2 3.95Å; L1137-F1676 HydrophobicContact CD2-CZ 3.37Å
1138A85.4Confident86.1Confident45 Ų4523.2 Ų23.237%0.37214%0.138SC..Hα-helixtrans-58.7-41.2175.300000112M1134 S1135 G1140 I1141 A1142M1134-A1138 WeakPolarHBondContact O-CB 3.48Å; M1134-A1138 PolarHBondContact O-N 3.38Å; S1135-A1138 PolarHBondContact O-N 3.42Å; A1138-G1140 PolarHBondContact O-N 3.02Å; A1138-I1141 PolarHBondContact O-N 3.15Å; A1138-A1142 WeakPolarHBondContact O-CB 3.47Å; A1138-A1142 PolarHBondContact O-N 3.46Å
1139A85.6Confident86.1Confident8 Ų824.8 Ų24.87%0.06614%0.144CC..Hα-helixtrans-61.1-31.7172.200000112.7S1135 T1136 L1137 Y1151 F1260 A1264S1135-A1139 PolarHBondContact O-N 3.04Å; S1135-A1139 VanDerWaalsContact O-N 3.11Å; T1136-A1139 PolarHBondContact O-N 2.91Å; L1137-A1139 VanDerWaalsContact C-N 3.31Å; L1137-A1139 PolarHBondContact O-N 2.88Å; A1139-Y1151 HydrophobicContact CB-CD2 4.27Å; A1139-Y1151 HydrophobicContact CB-CE2 4.25Å; A1139-F1260 HydrophobicContact CB-CB 4.19Å; A1139-A1264 HydrophobicContact CB-CB 4.33Å
1140G84.8Confident86.2Confident0 Ų025.3 Ų25.30%015%0.15CC..Hα-helixtrans-77.6-23.3174.100000115.4T1136 L1137 A1138 A1148T1136-G1140 PolarHBondContact O-N 3.05Å; L1137-G1140 CarbonylContact O-C 3.44Å; L1137-G1140 WeakPolarHBondContact O-CA 3.5Å; L1137-G1140 PolarHBondContact O-N 2.62Å; A1138-G1140 PolarHBondContact O-N 3.02Å; G1140-A1148 WeakPolarHBondContact CA-O 3.31Å; G1140-A1148 WeakPolarHBondContact O-CB 3.46Å
1141I84.7Confident86.3Confident45 Ų4523.1 Ų23.123%0.23114%0.142CC..Hα-helixtrans-90.5-26.5179.1-61.1148.6000111.5L1137 A1138 G1143 I1672L1137-I1141 HydrophobicContact CD1-CD1 4.46Å; L1137-I1141 HydrophobicContact CD2-CD1 4.12Å; L1137-I1141 HydrophobicContact CG-CD1 3.7Å; L1137-I1141 HydrophobicContact CG-CG1 4.39Å; L1137-I1141 WeakPolarHBondContact O-CD1 3.45Å; L1137-I1141 WeakPolarHBondContact O-CG1 3.44Å; L1137-I1141 PolarHBondContact O-N 2.98Å; A1138-I1141 PolarHBondContact O-N 3.15Å; I1141-G1143 PolarHBondContact O-N 3.35Å; I1141-G1143 VanDerWaalsContact O-N 3.08Å; I1141-I1672 HydrophobicContact CD1-CD1 3.11Å; I1141-I1672 HydrophobicContact CD1-CG1 3.98Å; I1141-I1672 HydrophobicContact CG1-CD1 3.71Å; I1141-I1672 HydrophobicContact CG2-CD1 4.1Å
1142A80.3Confident86.4Confident44 Ų4420.1 Ų20.136%0.36413%0.126SC..SBendtrans-65.1-10.8-17400000115A1138 F1260A1138-A1142 WeakPolarHBondContact O-CB 3.47Å; A1138-A1142 PolarHBondContact O-N 3.46Å; A1142-F1260 HydrophobicContact CB-CB 4.49Å; A1142-F1260 HydrophobicContact CB-CD1 4.35Å; A1142-F1260 HydrophobicContact CB-CD2 3.43Å; A1142-F1260 VanDerWaalsContact CB-CD2 3.43Å; A1142-F1260 HydrophobicContact CB-CE1 4.47Å; A1142-F1260 HydrophobicContact CB-CE2 3.58Å; A1142-F1260 HydrophobicContact CB-CG 3.85Å; A1142-F1260 HydrophobicContact CB-CZ 4.11Å
1143G75.4Confident86.3Confident10 Ų1024.4 Ų24.410%0.10315%0.148CC..  trans-156.8165.6174.200000112.4I1141 A1148I1141-G1143 PolarHBondContact O-N 3.35Å; I1141-G1143 VanDerWaalsContact O-N 3.08Å; G1143-A1148 WeakPolarHBondContact O-CB 3.42Å
1144T78.3Confident86.3Confident23 Ų2328 Ų2814%0.14116%0.164CC..  trans-107.450.4-177.768.80000111.7E1255 Q1633 F1634T1144-E1255 WeakPolarHBondContact CA-OE1 3.45Å; T1144-E1255 VanDerWaalsContact CB-OE1 3.3Å; T1144-E1255 WeakPolarHBondContact CB-OE1 3.36Å; T1144-E1255 PolarHBondContact N-OE1 3.41Å; T1144-E1255 PolarHBondContact OG1-OE1 2.9Å; T1144-Q1633 HydrophobicContact CG2-CB 3.66Å; T1144-Q1633 HydrophobicContact CG2-CG 4.35Å; T1144-F1634 WeakPolarHBondContact O-CD1 3.36Å; T1144-F1634 WeakPolarHBondContact O-CE1 3.26Å
1145S85.1Confident86.5Confident4 Ų425.6 Ų25.63%0.02815%0.152CC..SBendtrans-103.2162.5175.165.60000112.2F1147 A1148 L1149S1145-F1147 PolarHBondContact O-N 3.28Å; S1145-A1148 WeakPolarHBondContact O-CB 3.49Å; S1145-A1148 PolarHBondContact O-N 2.89Å; S1145-A1148 PolarHBondContact OG-N 3.13Å; S1145-L1149 PolarHBondContact O-N 3.09Å; S1145-L1149 VanDerWaalsContact O-N 3.13Å
1146L86.6Confident86.5Confident67 Ų6726 Ų2635%0.35115%0.153SC..Hα-helixtrans-57.7-34170-171.669.6000112.1A1148 L1149 G1150 L1226 F1227L1146-A1148 VanDerWaalsContact C-N 3.28Å; L1146-A1148 PolarHBondContact O-N 3.41Å; L1146-L1149 HydrophobicContact CD1-CD2 4.27Å; L1146-L1149 PolarHBondContact O-N 3.22Å; L1146-G1150 PolarHBondContact O-N 3.3Å; L1146-L1226 HydrophobicContact CB-CG 4.19Å; L1146-L1226 HydrophobicContact CD2-CD2 4.15Å; L1146-L1226 PolarHBondContact N-O 3.5Å; L1146-F1227 HydrophobicContact CD2-CE1 3.82Å; L1146-F1227 HydrophobicContact CD2-CZ 4.05Å
1147F89.2Confident86.3Confident19 Ų1930 Ų308%0.08318%0.177CC..Hα-helixtrans-62.8-37.4175.4-60.2-59.3000111.8S1145 G1150 Y1151 Y1188 F1191 T1192 M1195 K1196 L1199 F1227S1145-F1147 PolarHBondContact O-N 3.28Å; F1147-G1150 PolarHBondContact O-N 3.47Å; F1147-Y1151 WeakPolarHBondContact O-CD2 3.33Å; F1147-Y1151 PolarHBondContact O-N 3.07Å; F1147-Y1188 VanDerWaalsContact CA-OH 3.31Å; F1147-Y1188 WeakPolarHBondContact CA-OH 3.01Å; F1147-Y1188 PolarHBondContact O-OH 3.45Å; F1147-F1191 HydrophobicContact CE1-CE1 4.37Å; F1147-T1192 HydrophobicContact CB-CG2 4.04Å; F1147-T1192 HydrophobicContact CD1-CG2 3.93Å; F1147-T1192 HydrophobicContact CG-CG2 4.26Å; F1147-M1195 HydrophobicContact CE1-CB 4.35Å; F1147-M1195 HydrophobicContact CZ-CB 4.14Å; F1147-K1196 HydrophobicContact CD2-CG 4.45Å; F1147-K1196 HydrophobicContact CE2-CG 4.48Å; F1147-L1199 HydrophobicContact CE2-CD1 3.99Å; F1147-L1199 HydrophobicContact CZ-CD1 4.07Å; F1147-F1227 HydrophobicContact CE2-CD1 4.03Å; F1147-F1227 AromaticContact CZ-CD1 3.88Å; F1147-F1227 HydrophobicContact CZ-CD1 3.88Å; F1147-F1227 HydrophobicContact CZ-CE1 4.38Å
1148A87.6Confident86.2Confident4 Ų430 Ų303%0.03318%0.177CC..Hα-helixtrans-69.4-40.3177.900000112G1140 G1143 S1145 L1146 G1150 Y1151 I1152 F1630G1140-A1148 WeakPolarHBondContact CA-O 3.31Å; G1140-A1148 WeakPolarHBondContact O-CB 3.46Å; G1143-A1148 WeakPolarHBondContact O-CB 3.42Å; S1145-A1148 WeakPolarHBondContact O-CB 3.49Å; S1145-A1148 PolarHBondContact O-N 2.89Å; S1145-A1148 PolarHBondContact OG-N 3.13Å; L1146-A1148 VanDerWaalsContact C-N 3.28Å; L1146-A1148 PolarHBondContact O-N 3.41Å; A1148-G1150 VanDerWaalsContact C-N 3.28Å; A1148-G1150 PolarHBondContact O-N 3.41Å; A1148-Y1151 WeakPolarHBondContact O-CB 3.35Å; A1148-Y1151 PolarHBondContact O-N 3.41Å; A1148-Y1151 VanDerWaalsContact O-N 3.12Å; A1148-I1152 PolarHBondContact O-N 3.23Å; A1148-I1152 VanDerWaalsContact O-N 3.17Å; A1148-F1630 HydrophobicContact CB-CE2 4.32Å; A1148-F1630 HydrophobicContact CB-CZ 4.19Å
1149L88.3Confident86.3Confident41 Ų4128.2 Ų28.222%0.21516%0.161CC..Hα-helixtrans-56.8-41173.5-176.967.1000112S1145 L1146 Y1151 I1152 I1153 F1630S1145-L1149 PolarHBondContact O-N 3.09Å; S1145-L1149 VanDerWaalsContact O-N 3.13Å; L1146-L1149 HydrophobicContact CD1-CD2 4.27Å; L1146-L1149 PolarHBondContact O-N 3.22Å; L1149-Y1151 VanDerWaalsContact C-N 3.33Å; L1149-Y1151 PolarHBondContact O-N 3.27Å; L1149-I1152 PolarHBondContact O-N 3.17Å; L1149-I1153 HydrophobicContact CD1-CD1 4.34Å; L1149-I1153 HydrophobicContact CD2-CD1 4.4Å; L1149-I1153 HydrophobicContact CG-CD1 3.94Å; L1149-I1153 HydrophobicContact CG-CG1 4.47Å; L1149-I1153 WeakPolarHBondContact O-CG1 3.37Å; L1149-I1153 PolarHBondContact O-N 2.91Å; L1149-F1630 HydrophobicContact CB-CE1 3.81Å; L1149-F1630 HydrophobicContact CB-CZ 4.11Å; L1149-F1630 HydrophobicContact CD1-CD1 3.94Å; L1149-F1630 HydrophobicContact CD1-CE1 3.83Å; L1149-F1630 HydrophobicContact CG-CE1 4.34Å
1150G88.9Confident86.3Confident13 Ų1333.5 Ų33.513%0.13418%0.18CC..Hα-helixtrans-61.1-39.9177.300000112.9L1146 F1147 A1148 I1153 F1154 Y1188L1146-G1150 PolarHBondContact O-N 3.3Å; F1147-G1150 PolarHBondContact O-N 3.47Å; A1148-G1150 VanDerWaalsContact C-N 3.28Å; A1148-G1150 PolarHBondContact O-N 3.41Å; G1150-I1153 PolarHBondContact O-N 3.03Å; G1150-F1154 WeakPolarHBondContact O-CD2 3.46Å; G1150-F1154 PolarHBondContact O-N 2.76Å; G1150-Y1188 WeakPolarHBondContact CA-OH 3.41Å
1151Y91.2Very high86.2Confident2 Ų234.7 Ų34.71%0.00819%0.188CC..Hα-helixtrans-61.8-44.2172.7-73.4-60.6000112.3A1139 F1147 A1148 L1149 I1153 F1154 T1155 L1185 Y1188 T1189 T1192 D1261A1139-Y1151 HydrophobicContact CB-CD2 4.27Å; A1139-Y1151 HydrophobicContact CB-CE2 4.25Å; F1147-Y1151 WeakPolarHBondContact O-CD2 3.33Å; F1147-Y1151 PolarHBondContact O-N 3.07Å; A1148-Y1151 WeakPolarHBondContact O-CB 3.35Å; A1148-Y1151 PolarHBondContact O-N 3.41Å; A1148-Y1151 VanDerWaalsContact O-N 3.12Å; L1149-Y1151 VanDerWaalsContact C-N 3.33Å; L1149-Y1151 PolarHBondContact O-N 3.27Å; Y1151-I1153 PolarHBondContact O-N 3.19Å; Y1151-F1154 PolarHBondContact O-N 3.19Å; Y1151-T1155 WeakPolarHBondContact O-CB 3.17Å; Y1151-T1155 WeakPolarHBondContact O-CG2 3.49Å; Y1151-T1155 PolarHBondContact O-N 3.25Å; Y1151-T1155 PolarHBondContact O-OG1 3.49Å; Y1151-L1185 HydrophobicContact CD1-CD1 4.47Å; Y1151-Y1188 AromaticContact CD1-CD1 3.91Å; Y1151-Y1188 HydrophobicContact CD1-CD1 3.91Å; Y1151-Y1188 AromaticContact CD1-CE1 3.86Å; Y1151-Y1188 HydrophobicContact CD1-CE1 3.86Å; Y1151-Y1188 HydrophobicContact CD2-CE1 4.15Å; Y1151-Y1188 AromaticContact CE1-CD1 3.72Å; Y1151-Y1188 HydrophobicContact CE1-CD1 3.72Å; Y1151-Y1188 AromaticContact CE1-CE1 3.9Å; Y1151-Y1188 HydrophobicContact CE1-CE1 3.9Å; Y1151-Y1188 HydrophobicContact CE2-CE1 4.2Å; Y1151-Y1188 AromaticContact CG-CE1 4Å; Y1151-Y1188 HydrophobicContact CG-CE1 4Å; Y1151-T1189 WeakPolarHBondContact CE1-OG1 3.44Å; Y1151-T1189 PolarHBondContact OH-OG1 2.62Å; Y1151-T1192 HydrophobicContact CE2-CG2 4.41Å; Y1151-T1192 PolarHBondContact OH-OG1 3.02Å; Y1151-D1261 WeakPolarHBondContact CE2-OD1 3.33Å; Y1151-D1261 VanDerWaalsContact CZ-OD1 3.25Å; Y1151-D1261 PolarHBondContact OH-OD1 3.5Å
1152I88.8Confident85.8Confident4 Ų433.1 Ų33.12%0.02118%0.183CC..Hα-helixtrans-60.1-46.1177.8-63.2174.1000110.3L1137 A1148 L1149 T1155 L1156 F1630L1137-I1152 HydrophobicContact CD1-CG1 4.26Å; L1137-I1152 HydrophobicContact CD1-CG2 4.46Å; A1148-I1152 PolarHBondContact O-N 3.23Å; A1148-I1152 VanDerWaalsContact O-N 3.17Å; L1149-I1152 PolarHBondContact O-N 3.17Å; I1152-T1155 WeakPolarHBondContact CA-OG1 3.34Å; I1152-T1155 PolarHBondContact O-N 3.44Å; I1152-T1155 PolarHBondContact O-OG1 3.4Å; I1152-L1156 HydrophobicContact CG2-CD1 3.67Å; I1152-L1156 HydrophobicContact CG2-CG 4.13Å; I1152-L1156 WeakPolarHBondContact O-CB 3.31Å; I1152-L1156 VanDerWaalsContact O-CG 3.24Å; I1152-L1156 WeakPolarHBondContact O-CG 3.37Å; I1152-L1156 PolarHBondContact O-N 3.42Å; I1152-F1630 HydrophobicContact CD1-CD2 3.54Å; I1152-F1630 HydrophobicContact CD1-CE2 3.71Å; I1152-F1630 HydrophobicContact CD1-CG 4.1Å; I1152-F1630 HydrophobicContact CD1-CZ 4.39Å
1153I89.2Confident85.8Confident94 Ų9432 Ų3248%0.48217%0.171SC..Hα-helixtrans-64.5-47.9-179.8-66.8170.4000111.5L1149 G1150 Y1151 T1155 T1157L1149-I1153 HydrophobicContact CD1-CD1 4.34Å; L1149-I1153 HydrophobicContact CD2-CD1 4.4Å; L1149-I1153 HydrophobicContact CG-CD1 3.94Å; L1149-I1153 HydrophobicContact CG-CG1 4.47Å; L1149-I1153 WeakPolarHBondContact O-CG1 3.37Å; L1149-I1153 PolarHBondContact O-N 2.91Å; G1150-I1153 PolarHBondContact O-N 3.03Å; Y1151-I1153 PolarHBondContact O-N 3.19Å; I1153-T1155 VanDerWaalsContact C-N 3.32Å; I1153-T1155 PolarHBondContact O-N 2.7Å; I1153-T1157 WeakPolarHBondContact O-CB 3.45Å; I1153-T1157 PolarHBondContact O-N 3.38Å; I1153-T1157 PolarHBondContact O-OG1 3.31Å
1154F89.9Confident86Confident85 Ų8536 Ų3637%0.37319%0.19SC..Hα-helixtrans-61.7-42178.9-83.7-63.4000111.7G1150 Y1151 M1158 L1185 Y1188G1150-F1154 WeakPolarHBondContact O-CD2 3.46Å; G1150-F1154 PolarHBondContact O-N 2.76Å; Y1151-F1154 PolarHBondContact O-N 3.19Å; F1154-M1158 WeakPolarHBondContact O-CB 3.41Å; F1154-M1158 VanDerWaalsContact O-CG 3.26Å; F1154-M1158 WeakPolarHBondContact O-CG 3.4Å; F1154-M1158 PolarHBondContact O-N 2.9Å; F1154-L1185 HydrophobicContact CB-CD1 4.04Å; F1154-L1185 HydrophobicContact CG-CD1 4.4Å; F1154-Y1188 HydrophobicContact CD2-CD1 4.32Å; F1154-Y1188 HydrophobicContact CD2-CG 4.27Å; F1154-Y1188 HydrophobicContact CE2-CD1 4.44Å; F1154-Y1188 AromaticContact CE2-CD2 3.93Å; F1154-Y1188 HydrophobicContact CE2-CD2 3.93Å; F1154-Y1188 HydrophobicContact CE2-CE2 4.38Å; F1154-Y1188 AromaticContact CE2-CG 3.97Å; F1154-Y1188 HydrophobicContact CE2-CG 3.97Å
1155T89.4Confident86Confident4 Ų435.8 Ų35.83%0.02519%0.187CC..Hα-helixtrans-70.1-46.1-179.552.60000112.5T1136 L1137 Y1151 I1152 I1153 T1157 M1158 L1159T1136-T1155 WeakPolarHBondContact OG1-CG2 3.42Å; L1137-T1155 HydrophobicContact CB-CG2 4.31Å; L1137-T1155 VanDerWaalsContact CD1-OG1 3.29Å; L1137-T1155 WeakPolarHBondContact CD1-OG1 3.44Å; Y1151-T1155 WeakPolarHBondContact O-CB 3.17Å; Y1151-T1155 WeakPolarHBondContact O-CG2 3.49Å; Y1151-T1155 PolarHBondContact O-N 3.25Å; Y1151-T1155 PolarHBondContact O-OG1 3.49Å; I1152-T1155 WeakPolarHBondContact CA-OG1 3.34Å; I1152-T1155 PolarHBondContact O-N 3.44Å; I1152-T1155 PolarHBondContact O-OG1 3.4Å; I1153-T1155 VanDerWaalsContact C-N 3.32Å; I1153-T1155 PolarHBondContact O-N 2.7Å; T1155-T1157 VanDerWaalsContact C-N 3.29Å; T1155-T1157 PolarHBondContact O-N 3.19Å; T1155-M1158 PolarHBondContact O-N 3.01Å; T1155-L1159 WeakPolarHBondContact O-CB 3.39Å; T1155-L1159 PolarHBondContact O-N 3.02Å
1156L87.9Confident85.9Confident24 Ų2435.8 Ų35.813%0.12619%0.187CC..Hα-helixtrans-59.9-39.5175.1-69.9178.7000111.6I1152 L1159 W1160 E1623 L1675I1152-L1156 HydrophobicContact CG2-CD1 3.67Å; I1152-L1156 HydrophobicContact CG2-CG 4.13Å; I1152-L1156 WeakPolarHBondContact O-CB 3.31Å; I1152-L1156 VanDerWaalsContact O-CG 3.24Å; I1152-L1156 WeakPolarHBondContact O-CG 3.37Å; I1152-L1156 PolarHBondContact O-N 3.42Å; L1156-L1159 PolarHBondContact O-N 2.65Å; L1156-W1160 WeakPolarHBondContact O-CB 3.32Å; L1156-W1160 PolarHBondContact O-N 2.92Å; L1156-E1623 HydrophobicContact CD2-CG 4.28Å; L1156-L1675 HydrophobicContact CD2-CD2 3.81Å
1157T86.5Confident85.3Confident84 Ų8433.3 Ų33.352%0.51517%0.174SC..Hα-helixtrans-64.5-43.7176.4-560000111.9I1153 T1155 S1161I1153-T1157 WeakPolarHBondContact O-CB 3.45Å; I1153-T1157 PolarHBondContact O-N 3.38Å; I1153-T1157 PolarHBondContact O-OG1 3.31Å; T1155-T1157 VanDerWaalsContact C-N 3.29Å; T1155-T1157 PolarHBondContact O-N 3.19Å; T1157-S1161 PolarHBondContact O-N 3.34Å
1158M88Confident84.5Confident11 Ų1133.1 Ų33.15%0.05417%0.174CC..Hα-helixtrans-67.9-40.8176.2-70.5-72.7-116.100111.5L1133 F1154 T1155 S1161 G1162 L1165 R1181 W1182L1133-M1158 HydrophobicContact CD1-CB 4.36Å; L1133-M1158 HydrophobicContact CD2-CB 3.78Å; L1133-M1158 HydrophobicContact CD2-CG 4.41Å; F1154-M1158 WeakPolarHBondContact O-CB 3.41Å; F1154-M1158 VanDerWaalsContact O-CG 3.26Å; F1154-M1158 WeakPolarHBondContact O-CG 3.4Å; F1154-M1158 PolarHBondContact O-N 2.9Å; T1155-M1158 PolarHBondContact O-N 3.01Å; M1158-S1161 PolarHBondContact O-N 2.69Å; M1158-S1161 PolarHBondContact O-OG 3.08Å; M1158-G1162 PolarHBondContact O-N 3.41Å; M1158-L1165 HydrophobicContact CE-CD2 3.99Å; M1158-L1165 HydrophobicContact SD-CD2 3.7Å; M1158-R1181 HydrophobicContact CE-CB 3.75Å; M1158-R1181 HydrophobicContact SD-CB 4.16Å; M1158-W1182 HydrophobicContact CE-CD2 4.02Å; M1158-W1182 HydrophobicContact CE-CG 4.06Å; M1158-W1182 HydrophobicContact CE-CZ2 4.42Å
1159L86.2Confident83.4Confident7 Ų736.3 Ų36.34%0.03719%0.191CC..Hα-helixtrans-64.9-40.4179.1-161.774.3000112W1130 L1133 M1134 T1155 L1156 S1161 G1162 L1675 F1676 F1679W1130-L1159 HydrophobicContact CE3-CD1 3.86Å; W1130-L1159 HydrophobicContact CZ3-CD1 3.48Å; W1130-L1159 VanDerWaalsContact CZ3-CD1 3.48Å; W1130-L1159 HydrophobicContact CZ3-CG 4.46Å; L1133-L1159 HydrophobicContact CD1-CD1 4.48Å; M1134-L1159 HydrophobicContact CE-CD1 4.22Å; T1155-L1159 WeakPolarHBondContact O-CB 3.39Å; T1155-L1159 PolarHBondContact O-N 3.02Å; L1156-L1159 PolarHBondContact O-N 2.65Å; L1159-S1161 VanDerWaalsContact C-N 3.28Å; L1159-S1161 PolarHBondContact O-N 2.67Å; L1159-G1162 PolarHBondContact O-N 3.44Å; L1159-L1675 HydrophobicContact CD2-CD2 4.36Å; L1159-F1676 HydrophobicContact CD1-CE1 4.27Å; L1159-F1676 HydrophobicContact CD2-CD1 4.49Å; L1159-F1676 HydrophobicContact CD2-CE1 4.03Å; L1159-F1679 HydrophobicContact CB-CE1 4.49Å; L1159-F1679 HydrophobicContact CB-CZ 4.37Å; L1159-F1679 HydrophobicContact CD2-CD1 4.31Å; L1159-F1679 HydrophobicContact CD2-CD2 3.35Å; L1159-F1679 HydrophobicContact CD2-CE1 4.27Å; L1159-F1679 HydrophobicContact CD2-CE2 3.31Å; L1159-F1679 HydrophobicContact CD2-CG 3.88Å; L1159-F1679 HydrophobicContact CD2-CZ 3.79Å; L1159-F1679 HydrophobicContact CG-CD1 3.94Å; L1159-F1679 HydrophobicContact CG-CD2 3.91Å; L1159-F1679 HydrophobicContact CG-CE1 3.91Å; L1159-F1679 HydrophobicContact CG-CE2 3.89Å; L1159-F1679 HydrophobicContact CG-CG 3.94Å; L1159-F1679 HydrophobicContact CG-CZ 3.89Å; L1159-F1679 WeakPolarHBondContact O-CE1 3.23Å
1160W85.5Confident82.2Confident119 Ų11935.7 Ų35.745%0.45119%0.189SC..Hα-helixtrans-59.1-40.5174-174.9-99.6000112.2L1156 I1619 R1682L1156-W1160 WeakPolarHBondContact O-CB 3.32Å; L1156-W1160 PolarHBondContact O-N 2.92Å; W1160-I1619 HydrophobicContact CZ3-CG2 4.3Å; W1160-R1682 PolarHBondContact O-NH2 3Å
1161S82.3Confident80.9Confident24 Ų2440 Ų4017%0.16821%0.213CC..Hα-helixtrans-70.2-40.4176.7790000112.5T1157 M1158 L1159 N1164T1157-S1161 PolarHBondContact O-N 3.34Å; M1158-S1161 PolarHBondContact O-N 2.69Å; M1158-S1161 PolarHBondContact O-OG 3.08Å; L1159-S1161 VanDerWaalsContact C-N 3.28Å; L1159-S1161 PolarHBondContact O-N 2.67Å; S1161-N1164 WeakPolarHBondContact O-CB 3.5Å; S1161-N1164 PolarHBondContact O-N 3.2Å
1162G78.2Confident79.3Confident12 Ų1244.3 Ų44.312%0.12424%0.236CC..G310 helixtrans53-138.4176.100000113.2M1158 L1159 N1164 L1165M1158-G1162 PolarHBondContact O-N 3.41Å; L1159-G1162 PolarHBondContact O-N 3.44Å; G1162-N1164 PolarHBondContact O-N 3.43Å; G1162-N1164 VanDerWaalsContact O-N 3.1Å; G1162-L1165 VanDerWaalsContact O-CB 3.31Å; G1162-L1165 WeakPolarHBondContact O-CB 3.28Å; G1162-L1165 PolarHBondContact O-N 2.99Å; G1162-L1165 VanDerWaalsContact O-N 3.09Å
1163N80.1Confident77.7Confident22 Ų2253.1 Ų53.112%0.11827%0.269CS..G310 helixtrans-61.4-21.5-178.9-66.13.1000114.1W1130 L1165 Y1166 V1167 Y1287 Y1683W1130-N1163 WeakPolarHBondContact CZ2-OD1 3.44Å; N1163-L1165 PolarHBondContact O-N 3.47Å; N1163-L1165 VanDerWaalsContact O-N 3.14Å; N1163-Y1166 PolarHBondContact O-N 3.32Å; N1163-Y1166 VanDerWaalsContact O-N 3.11Å; N1163-V1167 PolarHBondContact O-N 2.93Å; N1163-Y1287 HydrophobicContact CB-CD1 4.27Å; N1163-Y1683 VanDerWaalsContact ND2-CE2 3.26Å; N1163-Y1683 WeakPolarHBondContact ND2-CE2 3.46Å
1164N78.8Confident76.4Confident93 Ų9350.5 Ų50.550%0.49726%0.259SS..G310 helixtrans-64.2-17.8177.3-69.1-21.1000112.2S1161 G1162 Y1166S1161-N1164 WeakPolarHBondContact O-CB 3.5Å; S1161-N1164 PolarHBondContact O-N 3.2Å; G1162-N1164 PolarHBondContact O-N 3.43Å; G1162-N1164 VanDerWaalsContact O-N 3.1Å; N1164-Y1166 VanDerWaalsContact C-N 3.3Å
1165L78.8Confident75.8Confident18 Ų1846.6 Ų46.69%0.09424%0.242CC..G310 helixtrans-67.9-28.4175.2-173.165.3000113M1158 G1162 N1163 T1178M1158-L1165 HydrophobicContact CE-CD2 3.99Å; M1158-L1165 HydrophobicContact SD-CD2 3.7Å; G1162-L1165 VanDerWaalsContact O-CB 3.31Å; G1162-L1165 WeakPolarHBondContact O-CB 3.28Å; G1162-L1165 PolarHBondContact O-N 2.99Å; G1162-L1165 VanDerWaalsContact O-N 3.09Å; N1163-L1165 PolarHBondContact O-N 3.47Å; N1163-L1165 VanDerWaalsContact O-N 3.14Å; L1165-T1178 HydrophobicContact CD1-CG2 4.23Å; L1165-T1178 HydrophobicContact CD2-CG2 4.02Å; L1165-T1178 HydrophobicContact CG-CG2 3.72Å; L1165-T1178 PolarHBondContact O-OG1 3Å
1166Y82.2Confident75.1Confident4 Ų450.5 Ų50.52%0.01626%0.26CS..THydrogen-bonded Turntrans-97.6-15.8-178.6-50.6-63.4000112.8H1129 N1163 N1164 M1168 T1178 F1275 F1280 Y1287H1129-Y1166 WeakPolarHBondContact CB-OH 3.49Å; H1129-Y1166 AromaticContact CD2-CE2 3.54Å; H1129-Y1166 AromaticContact CD2-CZ 3.86Å; H1129-Y1166 PolarHBondContact CD2-OH 3.36Å; H1129-Y1166 AromaticContact CG-CE2 3.88Å; H1129-Y1166 AromaticContact CG-CZ 3.94Å; H1129-Y1166 AromaticContact NE2-CE2 3.63Å; N1163-Y1166 PolarHBondContact O-N 3.32Å; N1163-Y1166 VanDerWaalsContact O-N 3.11Å; N1164-Y1166 VanDerWaalsContact C-N 3.3Å; Y1166-M1168 PolarHBondContact O-N 3.48Å; Y1166-T1178 HydrophobicContact CD1-CG2 4.18Å; Y1166-T1178 HydrophobicContact CE1-CG2 4.12Å; Y1166-F1275 AromaticContact CE1-CE1 3.91Å; Y1166-F1275 HydrophobicContact CE1-CE1 3.91Å; Y1166-F1275 AromaticContact CE1-CZ 3.87Å; Y1166-F1275 HydrophobicContact CE1-CZ 3.87Å; Y1166-F1280 AromaticContact CD1-CZ 3.79Å; Y1166-F1280 HydrophobicContact CD1-CZ 3.79Å; Y1166-F1280 HydrophobicContact CE1-CZ 4.19Å; Y1166-F1280 HydrophobicContact CG-CZ 4.27Å; Y1166-Y1287 HydrophobicContact CD2-CD2 4.26Å; Y1166-Y1287 AromaticContact CD2-CE2 3.93Å; Y1166-Y1287 HydrophobicContact CD2-CE2 3.93Å; Y1166-Y1287 HydrophobicContact CG-CD2 4.34Å; Y1166-Y1287 HydrophobicContact CG-CE2 4.23Å
1167V74.3Confident74.7Confident15 Ų1553.1 Ų53.19%0.09127%0.271CS..SBendtrans-75.990.6172-179.60000107.4N1163 N1169 R1288 V1291 L1519N1163-V1167 PolarHBondContact O-N 2.93Å; V1167-N1169 PolarHBondContact O-N 3.14Å; V1167-R1288 HydrophobicContact CG1-CG 4.41Å; V1167-V1291 HydrophobicContact CG2-CG2 4.05Å; V1167-L1519 HydrophobicContact CG1-CD1 4.06Å; V1167-L1519 HydrophobicContact CG1-CD2 3.65Å
1168M71.7Confident74.5Confident16 Ų1649.6 Ų49.68%0.07925%0.25CC..  trans-53.899.9175.9-64.2172.990.600109.5F1098 I1100 Y1166 F1175 M1284 R1288 T1515F1098-M1168 HydrophobicContact CD1-CE 3.99Å; F1098-M1168 HydrophobicContact CD1-SD 4.15Å; F1098-M1168 HydrophobicContact CE1-SD 4.37Å; I1100-M1168 HydrophobicContact CD1-SD 3.95Å; I1100-M1168 HydrophobicContact CG1-SD 4.26Å; Y1166-M1168 PolarHBondContact O-N 3.48Å; M1168-F1175 HydrophobicContact CE-CB 3.63Å; M1168-F1175 HydrophobicContact SD-CB 4.32Å; M1168-M1284 HydrophobicContact CG-CE 3.68Å; M1168-M1284 HydrophobicContact SD-CE 3.42Å; M1168-M1284 WeakPolarHBondContact SD-CE 2.97Å; M1168-R1288 PolarHBondContact O-NH1 3.19Å; M1168-T1515 HydrophobicContact CB-CG2 3.73Å; M1168-T1515 HydrophobicContact CE-CG2 4.11Å; M1168-T1515 HydrophobicContact SD-CG2 4.22Å
1169N66.2Low74.3Confident71 Ų7150.3 Ų50.338%0.3825%0.254SS..  trans-85.4145.1-179.4-162-1.7000109.1V1167 T1171 L1172V1167-N1169 PolarHBondContact O-N 3.14Å; N1169-T1171 PolarHBondContact O-N 3.26Å; N1169-T1171 VanDerWaalsContact O-N 3.08Å; N1169-L1172 CarbonylContact O-C 3.49Å; N1169-L1172 PolarHBondContact O-N 3.31Å
1170S61.9Low74.2Confident27 Ų2755.5 Ų55.519%0.18928%0.276CS..G310 helixtrans-56.3-31.4-176.269.50000113.1K1518S1170-K1518 WeakPolarHBondContact OG-CG 3.16Å
1171T62.4Low74.3Confident103 Ų10354.6 Ų54.663%0.63227%0.272SS*.G310 helixtrans-75-24.3-179.550.70000112.9N1169N1169-T1171 PolarHBondContact O-N 3.26Å; N1169-T1171 VanDerWaalsContact O-N 3.08Å
1172L57.3Low74.7Confident93 Ų9353.5 Ų53.549%0.48727%0.265SS..G310 helixtrans-116.957.1179.6-75.7124.1000109.6N1169 S1174N1169-L1172 CarbonylContact O-C 3.49Å; N1169-L1172 PolarHBondContact O-N 3.31Å; L1172-S1174 PolarHBondContact O-N 2.78Å
1173R54.7Low75.3Confident190 Ų19056 Ų5672%0.71728%0.275SS*.  trans-54.214-166.1-145.7-176.9-168176.33.7117.8
1174S62.3Low75.8Confident39 Ų3957.3 Ų57.327%0.27329%0.289SS..  trans-142.2119.3-177-157.90000112.5L1172 E1176 H1177L1172-S1174 PolarHBondContact O-N 2.78Å; S1174-E1176 PolarHBondContact O-N 2.89Å; S1174-E1176 VanDerWaalsContact O-N 3.1Å; S1174-E1176 WeakPolarHBondContact OG-CB 3.39Å; S1174-E1176 PolarHBondContact OG-N 3.41Å; S1174-E1176 PolarHBondContact OG-OE2 3.48Å; S1174-H1177 WeakPolarHBondContact O-CB 3.39Å; S1174-H1177 PolarHBondContact O-N 2.97Å
1175F77.4Confident76.4Confident3 Ų353 Ų531%0.01327%0.266CS..Hα-helixtrans-54.7-20.8162.9176.1-91.7000111.4Y1093 F1098 M1168 H1177 T1178 L1179 F1275 F1280 M1284Y1093-F1175 AromaticContact CE1-CD1 3.42Å; Y1093-F1175 HydrophobicContact CE1-CD1 3.42Å; Y1093-F1175 VanDerWaalsContact CE1-CD1 3.42Å; Y1093-F1175 AromaticContact CE1-CE1 3.55Å; Y1093-F1175 HydrophobicContact CE1-CE1 3.55Å; Y1093-F1175 HydrophobicContact CE1-CG 4.45Å; Y1093-F1175 AromaticContact CZ-CD1 3.81Å; Y1093-F1175 AromaticContact CZ-CE1 3.49Å; Y1093-F1175 VanDerWaalsContact CZ-CE1 3.49Å; Y1093-F1175 WeakPolarHBondContact OH-CD1 3.47Å; Y1093-F1175 WeakPolarHBondContact OH-CE1 3.49Å; Y1093-F1175 WeakPolarHBondContact OH-CZ 3.32Å; F1098-F1175 HydrophobicContact CB-CB 4.28Å; F1098-F1175 HydrophobicContact CD1-CB 4.02Å; F1098-F1175 HydrophobicContact CD1-CG 4.23Å; F1098-F1175 HydrophobicContact CG-CB 4.42Å; M1168-F1175 HydrophobicContact CE-CB 3.63Å; M1168-F1175 HydrophobicContact SD-CB 4.32Å; F1175-H1177 PolarHBondContact O-N 3.41Å; F1175-T1178 HydrophobicContact CE2-CG2 4.47Å; F1175-T1178 WeakPolarHBondContact O-CA 3.49Å; F1175-T1178 WeakPolarHBondContact O-CB 3.01Å; F1175-T1178 PolarHBondContact O-N 2.9Å; F1175-L1179 HydrophobicContact CD1-CB 4.42Å; F1175-L1179 HydrophobicContact CE1-CB 4.23Å; F1175-L1179 HydrophobicContact CE1-CD1 4.23Å; F1175-L1179 PolarHBondContact O-N 3.25Å; F1175-F1275 HydrophobicContact CZ-CB 4.04Å; F1175-F1275 HydrophobicContact CZ-CG 4.26Å; F1175-F1280 AromaticContact CE2-CE1 3.92Å; F1175-F1280 HydrophobicContact CE2-CE1 3.92Å; F1175-F1280 HydrophobicContact CZ-CE1 4.33Å; F1175-M1284 HydrophobicContact CD2-CE 3.93Å; F1175-M1284 HydrophobicContact CD2-SD 4.36Å; F1175-M1284 HydrophobicContact CE2-CE 4.43Å; F1175-M1284 HydrophobicContact CE2-SD 4.34Å
1176E75.4Confident77.1Confident85 Ų8552.3 Ų52.340%0.39726%0.263SS..Hα-helixtrans-54.4-31.5168.7-164-165.9164.100112.6S1174 L1179 K1180S1174-E1176 PolarHBondContact O-N 2.89Å; S1174-E1176 VanDerWaalsContact O-N 3.1Å; S1174-E1176 WeakPolarHBondContact OG-CB 3.39Å; S1174-E1176 PolarHBondContact OG-N 3.41Å; S1174-E1176 PolarHBondContact OG-OE2 3.48Å; E1176-L1179 PolarHBondContact O-N 3.22Å; E1176-K1180 HydrophobicContact CG-CD 4.26Å; E1176-K1180 HydrophobicContact CG-CG 4.45Å; E1176-K1180 WeakPolarHBondContact O-CA 2.9Å; E1176-K1180 WeakPolarHBondContact O-CB 3.47Å; E1176-K1180 WeakPolarHBondContact O-CG 3.49Å; E1176-K1180 PolarHBondContact O-N 3.02Å; E1176-K1180 WeakPolarHBondContact OE1-CE 3.29Å; E1176-K1180 IonicContact OE1-NZ 3.86Å; E1176-K1180 PolarHBondContact OE1-NZ 3.32Å
1177H78.2Confident77.5Confident79 Ų7953.3 Ų53.337%0.36627%0.274SS..Hα-helixtrans-70.2-38.2176.1-166.4-88.8000111.6S1174 F1175 K1180 R1181S1174-H1177 WeakPolarHBondContact O-CB 3.39Å; S1174-H1177 PolarHBondContact O-N 2.97Å; F1175-H1177 PolarHBondContact O-N 3.41Å; H1177-K1180 PolarHBondContact O-N 3.47Å; H1177-R1181 PolarHBondContact CE1-NE 2.96Å; H1177-R1181 WeakPolarHBondContact O-CG 3.49Å; H1177-R1181 PolarHBondContact O-N 2.64Å
1178T81.8Confident78.4Confident11 Ų1154.6 Ų54.67%0.06728%0.277CS..Hα-helixtrans-65.3-47.3172.6-60.90000110.2L1165 Y1166 F1175 K1180 R1181 W1182L1165-T1178 HydrophobicContact CD1-CG2 4.23Å; L1165-T1178 HydrophobicContact CD2-CG2 4.02Å; L1165-T1178 HydrophobicContact CG-CG2 3.72Å; L1165-T1178 PolarHBondContact O-OG1 3Å; Y1166-T1178 HydrophobicContact CD1-CG2 4.18Å; Y1166-T1178 HydrophobicContact CE1-CG2 4.12Å; F1175-T1178 HydrophobicContact CE2-CG2 4.47Å; F1175-T1178 WeakPolarHBondContact O-CA 3.49Å; F1175-T1178 WeakPolarHBondContact O-CB 3.01Å; F1175-T1178 PolarHBondContact O-N 2.9Å; T1178-K1180 VanDerWaalsContact C-N 3.33Å; T1178-K1180 PolarHBondContact O-N 3.05Å; T1178-R1181 PolarHBondContact O-N 2.93Å; T1178-W1182 VanDerWaalsContact O-CD1 3.24Å; T1178-W1182 PolarHBondContact O-N 3.3Å
1179L84.1Confident79.5Confident25 Ų2553.8 Ų53.813%0.13127%0.274CS..Hα-helixtrans-64-36.9176.7-161.270.7000111.9F1175 E1176 R1181 W1182 N1183F1175-L1179 HydrophobicContact CD1-CB 4.42Å; F1175-L1179 HydrophobicContact CE1-CB 4.23Å; F1175-L1179 HydrophobicContact CE1-CD1 4.23Å; F1175-L1179 PolarHBondContact O-N 3.25Å; E1176-L1179 PolarHBondContact O-N 3.22Å; L1179-R1181 PolarHBondContact O-N 2.9Å; L1179-W1182 PolarHBondContact O-N 3.44Å; L1179-N1183 VanDerWaalsContact O-CB 3.24Å; L1179-N1183 WeakPolarHBondContact O-CB 3.18Å; L1179-N1183 PolarHBondContact O-N 2.84Å
1180K85.4Confident80.8Confident116 Ų11650.7 Ų50.750%0.50426%0.257SS..Hα-helixtrans-62.4-39.9173.1-83.1172.6179.8167.80111.7E1176 H1177 T1178 A1184E1176-K1180 HydrophobicContact CG-CD 4.26Å; E1176-K1180 HydrophobicContact CG-CG 4.45Å; E1176-K1180 WeakPolarHBondContact O-CA 2.9Å; E1176-K1180 WeakPolarHBondContact O-CB 3.47Å; E1176-K1180 WeakPolarHBondContact O-CG 3.49Å; E1176-K1180 PolarHBondContact O-N 3.02Å; E1176-K1180 WeakPolarHBondContact OE1-CE 3.29Å; E1176-K1180 IonicContact OE1-NZ 3.86Å; E1176-K1180 PolarHBondContact OE1-NZ 3.32Å; H1177-K1180 PolarHBondContact O-N 3.47Å; T1178-K1180 VanDerWaalsContact C-N 3.33Å; T1178-K1180 PolarHBondContact O-N 3.05Å; K1180-A1184 WeakPolarHBondContact O-CB 3.49Å; K1180-A1184 PolarHBondContact O-N 3.44Å
1181R87.6Confident82.2Confident100 Ų10054.3 Ų54.338%0.37727%0.27SS..Hα-helixtrans-66.4-41.5174.6-73.8179.6175.3-175.2-0.1112.3M1158 H1177 T1178 L1179 A1184 L1185M1158-R1181 HydrophobicContact CE-CB 3.75Å; M1158-R1181 HydrophobicContact SD-CB 4.16Å; H1177-R1181 PolarHBondContact CE1-NE 2.96Å; H1177-R1181 WeakPolarHBondContact O-CG 3.49Å; H1177-R1181 PolarHBondContact O-N 2.64Å; T1178-R1181 PolarHBondContact O-N 2.93Å; L1179-R1181 PolarHBondContact O-N 2.9Å; R1181-A1184 PolarHBondContact O-N 3.29Å; R1181-L1185 PolarHBondContact O-N 3.43Å
1182W90.5Very high83.6Confident1 Ų149.4 Ų49.40%0.00424%0.24CC..Hα-helixtrans-69.2-38.9175.1-78.6101.5000112.7T1132 L1133 M1158 T1178 L1179 A1184 L1185 L1186 L1268 Q1271 F1275T1132-W1182 VanDerWaalsContact OG1-CH2 3.24Å; T1132-W1182 WeakPolarHBondContact OG1-CH2 3.44Å; L1133-W1182 HydrophobicContact CD2-CH2 3.82Å; L1133-W1182 HydrophobicContact CD2-CZ2 4.3Å; L1133-W1182 HydrophobicContact CD2-CZ3 4.49Å; L1133-W1182 HydrophobicContact CG-CH2 4.01Å; L1133-W1182 HydrophobicContact CG-CZ2 4.47Å; M1158-W1182 HydrophobicContact CE-CD2 4.02Å; M1158-W1182 HydrophobicContact CE-CG 4.06Å; M1158-W1182 HydrophobicContact CE-CZ2 4.42Å; T1178-W1182 VanDerWaalsContact O-CD1 3.24Å; T1178-W1182 PolarHBondContact O-N 3.3Å; L1179-W1182 PolarHBondContact O-N 3.44Å; W1182-A1184 VanDerWaalsContact C-N 3.33Å; W1182-L1185 HydrophobicContact CE3-CD2 4.21Å; W1182-L1185 HydrophobicContact CZ3-CD2 4.18Å; W1182-L1185 WeakPolarHBondContact O-CB 3.38Å; W1182-L1185 PolarHBondContact O-N 2.96Å; W1182-L1186 PolarHBondContact O-N 3.44Å; W1182-L1268 HydrophobicContact CE3-CD2 3.61Å; W1182-L1268 HydrophobicContact CZ3-CD2 3.58Å; W1182-Q1271 HydrophobicContact CH2-CG 4.45Å; W1182-Q1271 HydrophobicContact CZ3-CG 4.41Å; W1182-F1275 AromaticContact CD1-CE2 3.61Å; W1182-F1275 AromaticContact CD2-CE2 3.84Å; W1182-F1275 HydrophobicContact CD2-CE2 3.84Å; W1182-F1275 HydrophobicContact CD2-CZ 4.39Å; W1182-F1275 AromaticContact CE2-CE2 3.74Å; W1182-F1275 AromaticContact CE2-CZ 3.83Å; W1182-F1275 AromaticContact CG-CE2 3.78Å; W1182-F1275 HydrophobicContact CG-CE2 3.78Å; W1182-F1275 HydrophobicContact CZ2-CE2 4.42Å; W1182-F1275 HydrophobicContact CZ2-CZ 4.17Å; W1182-F1275 AromaticContact NE1-CE2 3.59Å; W1182-F1275 AromaticContact NE1-CZ 3.67Å
1183N90Very high85.2Confident65 Ų6545.1 Ų45.135%0.34822%0.217SC..Hα-helixtrans-69.3-30.8173.5-73-13.2000111.8L1179 G1187L1179-N1183 VanDerWaalsContact O-CB 3.24Å; L1179-N1183 WeakPolarHBondContact O-CB 3.18Å; L1179-N1183 PolarHBondContact O-N 2.84Å; N1183-G1187 PolarHBondContact O-N 2.87Å
1184A90.5Very high87Confident50 Ų5037.7 Ų37.741%0.41319%0.193SC..Hα-helixtrans-66.9-38.5170.400000111.1K1180 R1181 W1182 G1187 Y1188K1180-A1184 WeakPolarHBondContact O-CB 3.49Å; K1180-A1184 PolarHBondContact O-N 3.44Å; R1181-A1184 PolarHBondContact O-N 3.29Å; W1182-A1184 VanDerWaalsContact C-N 3.33Å; A1184-G1187 PolarHBondContact O-N 2.96Å; A1184-Y1188 WeakPolarHBondContact O-CB 3.34Å; A1184-Y1188 PolarHBondContact O-N 3.32Å
1185L91.8Very high88.4Confident1 Ų139.1 Ų39.11%0.00520%0.196CC..Hα-helixtrans-67.5-43.4173.2-176.157.8000112.1T1136 Y1151 F1154 R1181 W1182 Y1188 T1189 L1268T1136-L1185 HydrophobicContact CG2-CD2 4.14Å; Y1151-L1185 HydrophobicContact CD1-CD1 4.47Å; F1154-L1185 HydrophobicContact CB-CD1 4.04Å; F1154-L1185 HydrophobicContact CG-CD1 4.4Å; R1181-L1185 PolarHBondContact O-N 3.43Å; W1182-L1185 HydrophobicContact CE3-CD2 4.21Å; W1182-L1185 HydrophobicContact CZ3-CD2 4.18Å; W1182-L1185 WeakPolarHBondContact O-CB 3.38Å; W1182-L1185 PolarHBondContact O-N 2.96Å; L1185-Y1188 WeakPolarHBondContact O-CB 3.17Å; L1185-Y1188 PolarHBondContact O-N 2.95Å; L1185-T1189 PolarHBondContact O-N 2.98Å; L1185-T1189 PolarHBondContact O-OG1 2.92Å; L1185-L1268 HydrophobicContact CD2-CD2 3.92Å; L1185-L1268 HydrophobicContact CG-CD1 4.24Å; L1185-L1268 HydrophobicContact CG-CD2 4.14Å
1186L92.4Very high89Confident5 Ų540.1 Ų40.13%0.02620%0.2CC..Hα-helixtrans-60.3-45.1172.1177.267.2000111.3W1182 Y1188 T1189 L1190 L1265 L1268 V1269 I1272W1182-L1186 PolarHBondContact O-N 3.44Å; L1186-Y1188 VanDerWaalsContact C-N 3.31Å; L1186-Y1188 PolarHBondContact O-N 3.48Å; L1186-T1189 PolarHBondContact O-N 2.87Å; L1186-L1190 HydrophobicContact CD1-CD1 4.31Å; L1186-L1190 HydrophobicContact CD1-CG 4.41Å; L1186-L1190 HydrophobicContact CG-CD1 4.03Å; L1186-L1190 WeakPolarHBondContact O-CG 3.43Å; L1186-L1190 PolarHBondContact O-N 2.73Å; L1186-L1265 HydrophobicContact CD1-CD1 3.53Å; L1186-L1268 HydrophobicContact CD1-CB 4.21Å; L1186-V1269 HydrophobicContact CD1-CG2 4.46Å; L1186-I1272 HydrophobicContact CB-CD1 4.24Å; L1186-I1272 HydrophobicContact CD2-CD1 3.66Å; L1186-I1272 HydrophobicContact CG-CD1 4.43Å
1187G92Very high89.7Confident25 Ų2536.2 Ų36.226%0.25818%0.182SC..Hα-helixtrans-61-39.617600000112N1183 A1184 L1190 F1191N1183-G1187 PolarHBondContact O-N 2.87Å; A1184-G1187 PolarHBondContact O-N 2.96Å; G1187-L1190 PolarHBondContact O-N 3.25Å; G1187-F1191 VanDerWaalsContact O-CB 3.24Å; G1187-F1191 WeakPolarHBondContact O-CB 3.19Å; G1187-F1191 PolarHBondContact O-N 2.87Å
1188Y93.2Very high90.2Very high41 Ų4134.8 Ų34.816%0.16118%0.18CC..Hα-helixtrans-63-46.3173.3-175.3-101.1000111.6F1147 G1150 Y1151 F1154 A1184 L1185 L1186 L1190 F1191 T1192F1147-Y1188 VanDerWaalsContact CA-OH 3.31Å; F1147-Y1188 WeakPolarHBondContact CA-OH 3.01Å; F1147-Y1188 PolarHBondContact O-OH 3.45Å; G1150-Y1188 WeakPolarHBondContact CA-OH 3.41Å; Y1151-Y1188 AromaticContact CD1-CD1 3.91Å; Y1151-Y1188 HydrophobicContact CD1-CD1 3.91Å; Y1151-Y1188 AromaticContact CD1-CE1 3.86Å; Y1151-Y1188 HydrophobicContact CD1-CE1 3.86Å; Y1151-Y1188 HydrophobicContact CD2-CE1 4.15Å; Y1151-Y1188 AromaticContact CE1-CD1 3.72Å; Y1151-Y1188 HydrophobicContact CE1-CD1 3.72Å; Y1151-Y1188 AromaticContact CE1-CE1 3.9Å; Y1151-Y1188 HydrophobicContact CE1-CE1 3.9Å; Y1151-Y1188 HydrophobicContact CE2-CE1 4.2Å; Y1151-Y1188 AromaticContact CG-CE1 4Å; Y1151-Y1188 HydrophobicContact CG-CE1 4Å; F1154-Y1188 HydrophobicContact CD2-CD1 4.32Å; F1154-Y1188 HydrophobicContact CD2-CG 4.27Å; F1154-Y1188 HydrophobicContact CE2-CD1 4.44Å; F1154-Y1188 AromaticContact CE2-CD2 3.93Å; F1154-Y1188 HydrophobicContact CE2-CD2 3.93Å; F1154-Y1188 HydrophobicContact CE2-CE2 4.38Å; F1154-Y1188 AromaticContact CE2-CG 3.97Å; F1154-Y1188 HydrophobicContact CE2-CG 3.97Å; A1184-Y1188 WeakPolarHBondContact O-CB 3.34Å; A1184-Y1188 PolarHBondContact O-N 3.32Å; L1185-Y1188 WeakPolarHBondContact O-CB 3.17Å; L1185-Y1188 PolarHBondContact O-N 2.95Å; L1186-Y1188 VanDerWaalsContact C-N 3.31Å; L1186-Y1188 PolarHBondContact O-N 3.48Å; Y1188-L1190 PolarHBondContact O-N 3.37Å; Y1188-F1191 WeakPolarHBondContact O-CB 2.96Å; Y1188-F1191 PolarHBondContact O-N 3.47Å; Y1188-T1192 HydrophobicContact CD1-CG2 4.1Å; Y1188-T1192 HydrophobicContact CE1-CG2 3.67Å; Y1188-T1192 HydrophobicContact CE2-CG2 4.25Å; Y1188-T1192 WeakPolarHBondContact O-CG2 3.28Å; Y1188-T1192 PolarHBondContact O-N 3.48Å; Y1188-T1192 PolarHBondContact O-OG1 3.12Å
1189T93.3Very high90.6Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-62.1-41175.7-62.10000112.8Y1151 L1185 L1186 F1191 T1192 I1193 D1261 L1265Y1151-T1189 WeakPolarHBondContact CE1-OG1 3.44Å; Y1151-T1189 PolarHBondContact OH-OG1 2.62Å; L1185-T1189 PolarHBondContact O-N 2.98Å; L1185-T1189 PolarHBondContact O-OG1 2.92Å; L1186-T1189 PolarHBondContact O-N 2.87Å; T1189-F1191 VanDerWaalsContact C-N 3.33Å; T1189-T1192 WeakPolarHBondContact CA-OG1 3.36Å; T1189-T1192 PolarHBondContact O-N 3.48Å; T1189-T1192 PolarHBondContact O-OG1 2.73Å; T1189-I1193 HydrophobicContact CG2-CD1 4.02Å; T1189-I1193 VanDerWaalsContact O-CG1 3.27Å; T1189-I1193 WeakPolarHBondContact O-CG1 3.47Å; T1189-I1193 PolarHBondContact O-N 2.99Å; T1189-D1261 WeakPolarHBondContact CG2-O 3.45Å; T1189-L1265 HydrophobicContact CG2-CB 4.03Å
1190L93.6Very high90.8Very high5 Ų535.1 Ų35.13%0.02618%0.182CC..Hα-helixtrans-67.3-36.9176.1-69.9169.9000111.5L986 V987 A990 L991 L1186 G1187 Y1188 T1194 L1265L986-L1190 HydrophobicContact CD2-CD2 4.19Å; L986-L1190 HydrophobicContact CG-CD2 4.08Å; V987-L1190 HydrophobicContact CG2-CB 4.22Å; A990-L1190 HydrophobicContact CB-CD1 3.71Å; A990-L1190 HydrophobicContact CB-CD2 4.43Å; L991-L1190 HydrophobicContact CD2-CD1 4.04Å; L991-L1190 HydrophobicContact CG-CD1 4.17Å; L1186-L1190 HydrophobicContact CD1-CD1 4.31Å; L1186-L1190 HydrophobicContact CD1-CG 4.41Å; L1186-L1190 HydrophobicContact CG-CD1 4.03Å; L1186-L1190 WeakPolarHBondContact O-CG 3.43Å; L1186-L1190 PolarHBondContact O-N 2.73Å; G1187-L1190 PolarHBondContact O-N 3.25Å; Y1188-L1190 PolarHBondContact O-N 3.37Å; L1190-T1194 WeakPolarHBondContact O-CB 3.48Å; L1190-T1194 PolarHBondContact O-N 2.99Å; L1190-T1194 PolarHBondContact O-OG1 3.32Å; L1190-L1265 HydrophobicContact CD2-CD1 3.82Å; L1190-L1265 HydrophobicContact CD2-CD2 4.48Å; L1190-L1265 HydrophobicContact CG-CD1 4.31Å
1191F92.4Very high90.6Very high104 Ų10432.3 Ų32.346%0.45617%0.172SC..Hα-helixtrans-65.7-44.6174.8174.3-100.8000111.9F1147 G1187 Y1188 T1189 T1194 M1195F1147-F1191 HydrophobicContact CE1-CE1 4.37Å; G1187-F1191 VanDerWaalsContact O-CB 3.24Å; G1187-F1191 WeakPolarHBondContact O-CB 3.19Å; G1187-F1191 PolarHBondContact O-N 2.87Å; Y1188-F1191 WeakPolarHBondContact O-CB 2.96Å; Y1188-F1191 PolarHBondContact O-N 3.47Å; T1189-F1191 VanDerWaalsContact C-N 3.33Å; F1191-T1194 PolarHBondContact O-N 3.45Å; F1191-M1195 HydrophobicContact CD1-CG 4.27Å; F1191-M1195 HydrophobicContact CD2-CE 4.41Å; F1191-M1195 HydrophobicContact CD2-CG 3.93Å; F1191-M1195 HydrophobicContact CE1-CG 3.89Å; F1191-M1195 HydrophobicContact CE2-CE 3.88Å; F1191-M1195 HydrophobicContact CE2-CG 3.52Å; F1191-M1195 HydrophobicContact CE2-SD 4.05Å; F1191-M1195 HydrophobicContact CG-CG 4.29Å; F1191-M1195 HydrophobicContact CZ-CG 3.5Å; F1191-M1195 VanDerWaalsContact CZ-CG 3.5Å; F1191-M1195 HydrophobicContact CZ-SD 4.16Å; F1191-M1195 VanDerWaalsContact O-CB 3.3Å; F1191-M1195 WeakPolarHBondContact O-CB 3.21Å; F1191-M1195 VanDerWaalsContact O-CG 3.3Å; F1191-M1195 WeakPolarHBondContact O-CG 3.28Å; F1191-M1195 PolarHBondContact O-N 3.05Å
1192T91.4Very high90.5Very high0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-64.1-43177.7550000111.7F1147 Y1151 Y1188 T1189 M1195 K1196F1147-T1192 HydrophobicContact CB-CG2 4.04Å; F1147-T1192 HydrophobicContact CD1-CG2 3.93Å; F1147-T1192 HydrophobicContact CG-CG2 4.26Å; Y1151-T1192 HydrophobicContact CE2-CG2 4.41Å; Y1151-T1192 PolarHBondContact OH-OG1 3.02Å; Y1188-T1192 HydrophobicContact CD1-CG2 4.1Å; Y1188-T1192 HydrophobicContact CE1-CG2 3.67Å; Y1188-T1192 HydrophobicContact CE2-CG2 4.25Å; Y1188-T1192 WeakPolarHBondContact O-CG2 3.28Å; Y1188-T1192 PolarHBondContact O-N 3.48Å; Y1188-T1192 PolarHBondContact O-OG1 3.12Å; T1189-T1192 WeakPolarHBondContact CA-OG1 3.36Å; T1189-T1192 PolarHBondContact O-N 3.48Å; T1189-T1192 PolarHBondContact O-OG1 2.73Å; T1192-M1195 PolarHBondContact O-N 3.31Å; T1192-K1196 VanDerWaalsContact O-CB 3.3Å; T1192-K1196 WeakPolarHBondContact O-CB 3.28Å; T1192-K1196 WeakPolarHBondContact O-CG 3.4Å; T1192-K1196 PolarHBondContact O-N 3.24Å
1193I92.2Very high90.1Very high3 Ų332.8 Ų32.82%0.01518%0.177CC..Hα-helixtrans-60-50.4174.9-68168.4000110.2I971 T1189 M1195 K1196 V1197 I1258 D1261 V1262 L1265I971-I1193 HydrophobicContact CG2-CG2 4.28Å; T1189-I1193 HydrophobicContact CG2-CD1 4.02Å; T1189-I1193 VanDerWaalsContact O-CG1 3.27Å; T1189-I1193 WeakPolarHBondContact O-CG1 3.47Å; T1189-I1193 PolarHBondContact O-N 2.99Å; I1193-M1195 PolarHBondContact O-N 3.36Å; I1193-K1196 PolarHBondContact O-N 3.08Å; I1193-V1197 VanDerWaalsContact O-CG2 3.29Å; I1193-V1197 WeakPolarHBondContact O-CG2 3.26Å; I1193-V1197 PolarHBondContact O-N 3.28Å; I1193-I1258 HydrophobicContact CG2-CD1 4.18Å; I1193-D1261 HydrophobicContact CD1-CB 4.09Å; I1193-D1261 HydrophobicContact CG1-CB 3.61Å; I1193-V1262 HydrophobicContact CD1-CG2 4.48Å; I1193-L1265 HydrophobicContact CD1-CB 4.43Å; I1193-L1265 HydrophobicContact CD1-CD2 4.18Å
1194T92Very high89.9Confident33 Ų3329.8 Ų29.820%0.20216%0.161CC..Hα-helixtrans-61.9-46.5-178.9-53.70000111.3C983 L1190 F1191 V1197 C1198C983-T1194 HydrophobicContact CB-CG2 4.45Å; L1190-T1194 WeakPolarHBondContact O-CB 3.48Å; L1190-T1194 PolarHBondContact O-N 2.99Å; L1190-T1194 PolarHBondContact O-OG1 3.32Å; F1191-T1194 PolarHBondContact O-N 3.45Å; T1194-V1197 PolarHBondContact O-N 3.04Å; T1194-C1198 WeakPolarHBondContact O-CB 3.29Å; T1194-C1198 PolarHBondContact O-N 3.02Å; T1194-C1198 PolarHBondContact O-SG 3.32Å
1195M90.5Very high89.6Confident69 Ų6927.5 Ų27.534%0.3414%0.142SC..Hα-helixtrans-65.6-42179.3-74.6-65.7125.100112.4F1147 F1191 T1192 I1193 V1197 C1198 L1199F1147-M1195 HydrophobicContact CE1-CB 4.35Å; F1147-M1195 HydrophobicContact CZ-CB 4.14Å; F1191-M1195 HydrophobicContact CD1-CG 4.27Å; F1191-M1195 HydrophobicContact CD2-CE 4.41Å; F1191-M1195 HydrophobicContact CD2-CG 3.93Å; F1191-M1195 HydrophobicContact CE1-CG 3.89Å; F1191-M1195 HydrophobicContact CE2-CE 3.88Å; F1191-M1195 HydrophobicContact CE2-CG 3.52Å; F1191-M1195 HydrophobicContact CE2-SD 4.05Å; F1191-M1195 HydrophobicContact CG-CG 4.29Å; F1191-M1195 HydrophobicContact CZ-CG 3.5Å; F1191-M1195 VanDerWaalsContact CZ-CG 3.5Å; F1191-M1195 HydrophobicContact CZ-SD 4.16Å; F1191-M1195 VanDerWaalsContact O-CB 3.3Å; F1191-M1195 WeakPolarHBondContact O-CB 3.21Å; F1191-M1195 VanDerWaalsContact O-CG 3.3Å; F1191-M1195 WeakPolarHBondContact O-CG 3.28Å; F1191-M1195 PolarHBondContact O-N 3.05Å; T1192-M1195 PolarHBondContact O-N 3.31Å; I1193-M1195 PolarHBondContact O-N 3.36Å; M1195-V1197 PolarHBondContact O-N 2.93Å; M1195-C1198 PolarHBondContact O-N 3.36Å; M1195-L1199 VanDerWaalsContact O-CB 3.32Å; M1195-L1199 WeakPolarHBondContact O-CB 3.2Å; M1195-L1199 WeakPolarHBondContact O-CG 3.33Å; M1195-L1199 PolarHBondContact O-N 2.89Å
1196K90.4Very high89.2Confident24 Ų2430 Ų3010%0.10415%0.153CC..Hα-helixtrans-62.7-41.6176.8-79.1-178.6170.5-175.60111.9F1147 T1192 I1193 L1199 Q1200 E1255 N1257 I1258 D1261F1147-K1196 HydrophobicContact CD2-CG 4.45Å; F1147-K1196 HydrophobicContact CE2-CG 4.48Å; T1192-K1196 VanDerWaalsContact O-CB 3.3Å; T1192-K1196 WeakPolarHBondContact O-CB 3.28Å; T1192-K1196 WeakPolarHBondContact O-CG 3.4Å; T1192-K1196 PolarHBondContact O-N 3.24Å; I1193-K1196 PolarHBondContact O-N 3.08Å; K1196-L1199 PolarHBondContact O-N 3.15Å; K1196-Q1200 PolarHBondContact O-N 3.48Å; K1196-E1255 PolarHBondContact NZ-O 3.49Å; K1196-N1257 PolarHBondContact NZ-O 3.16Å; K1196-I1258 HydrophobicContact CB-CG2 3.59Å; K1196-I1258 HydrophobicContact CD-CG2 3.62Å; K1196-I1258 HydrophobicContact CG-CG2 4.28Å; K1196-D1261 IonicContact NZ-OD2 3.74Å; K1196-D1261 PolarHBondContact NZ-OD2 2.87Å
1197V90.7Very high88.7Confident4 Ų430.7 Ų30.72%0.02416%0.156CC..Hα-helixtrans-65.1-43.4175.3175.40000110.8I971 M975 A979 A980 I1193 T1194 M1195 L1199 Q1200 I1258I971-V1197 HydrophobicContact CG2-CG2 3.81Å; M975-V1197 HydrophobicContact SD-CG2 3.77Å; A979-V1197 HydrophobicContact CB-CG1 4.31Å; A980-V1197 HydrophobicContact CB-CG1 4.08Å; I1193-V1197 VanDerWaalsContact O-CG2 3.29Å; I1193-V1197 WeakPolarHBondContact O-CG2 3.26Å; I1193-V1197 PolarHBondContact O-N 3.28Å; T1194-V1197 PolarHBondContact O-N 3.04Å; M1195-V1197 PolarHBondContact O-N 2.93Å; V1197-L1199 PolarHBondContact O-N 3.09Å; V1197-Q1200 WeakPolarHBondContact O-CB 3.31Å; V1197-Q1200 PolarHBondContact O-N 3.04Å; V1197-I1258 HydrophobicContact CG2-CD1 4.24Å
1198C89.4Confident88.2Confident48 Ų4832.8 Ų32.832%0.32417%0.167SC..Hα-helixtrans-64.8-37.7175.5-68.30000113T1194 M1195 Q1200 I1201T1194-C1198 WeakPolarHBondContact O-CB 3.29Å; T1194-C1198 PolarHBondContact O-N 3.02Å; T1194-C1198 PolarHBondContact O-SG 3.32Å; M1195-C1198 PolarHBondContact O-N 3.36Å; C1198-Q1200 PolarHBondContact O-N 3.2Å; C1198-I1201 PolarHBondContact O-N 3.42Å
1199L88.5Confident87.6Confident38 Ų3840.7 Ų40.720%0.19920%0.197CC..Hα-helixtrans-68.2-18.9177.8-74.4172.1000112.9F1147 M1195 K1196 V1197 I1201 F1202 G1203 I1229F1147-L1199 HydrophobicContact CE2-CD1 3.99Å; F1147-L1199 HydrophobicContact CZ-CD1 4.07Å; M1195-L1199 VanDerWaalsContact O-CB 3.32Å; M1195-L1199 WeakPolarHBondContact O-CB 3.2Å; M1195-L1199 WeakPolarHBondContact O-CG 3.33Å; M1195-L1199 PolarHBondContact O-N 2.89Å; K1196-L1199 PolarHBondContact O-N 3.15Å; V1197-L1199 PolarHBondContact O-N 3.09Å; L1199-I1201 VanDerWaalsContact C-N 3.29Å; L1199-I1201 PolarHBondContact O-N 3.33Å; L1199-F1202 PolarHBondContact O-N 3.19Å; L1199-F1202 VanDerWaalsContact O-N 3.16Å; L1199-G1203 PolarHBondContact O-N 3.3Å; L1199-I1229 HydrophobicContact CD2-CD1 4.39Å; L1199-I1229 HydrophobicContact CD2-CG1 4.48Å
1200Q88.1Confident87Confident6 Ų641.9 Ų41.93%0.02820%0.202CC..Hα-helixtrans-61.7-36.8172.5-72.1-56.4-51.800112.3M975 K1196 V1197 C1198 F1202 G1203 C1204 T1230 V1232M975-Q1200 HydrophobicContact CE-CG 3.85Å; K1196-Q1200 PolarHBondContact O-N 3.48Å; V1197-Q1200 WeakPolarHBondContact O-CB 3.31Å; V1197-Q1200 PolarHBondContact O-N 3.04Å; C1198-Q1200 PolarHBondContact O-N 3.2Å; Q1200-F1202 VanDerWaalsContact C-N 3.28Å; Q1200-F1202 PolarHBondContact O-N 3.07Å; Q1200-G1203 PolarHBondContact O-N 3.38Å; Q1200-C1204 WeakPolarHBondContact O-CB 3.34Å; Q1200-C1204 PolarHBondContact O-N 2.74Å; Q1200-C1204 PolarHBondContact O-SG 2.89Å; Q1200-C1204 VanDerWaalsContact O-SG 3.36Å; Q1200-T1230 PolarHBondContact NE2-O 2.9Å; Q1200-T1230 PolarHBondContact OE1-O 3.36Å; Q1200-V1232 VanDerWaalsContact NE2-CG2 3.32Å
1201I83.3Confident86.3Confident57 Ų5745.6 Ų45.629%0.29222%0.222SC..Hα-helixtrans-61-42175.3-61.1173.7000110C1198 L1199 V1205 F1206C1198-I1201 PolarHBondContact O-N 3.42Å; L1199-I1201 VanDerWaalsContact C-N 3.29Å; L1199-I1201 PolarHBondContact O-N 3.33Å; I1201-V1205 WeakPolarHBondContact O-CB 3.35Å; I1201-V1205 PolarHBondContact O-N 3.31Å; I1201-F1206 HydrophobicContact CG2-CE2 4.23Å
1202F84.6Confident85.4Confident110 Ų11045.5 Ų45.548%0.48222%0.223SC..Hα-helixtrans-69.6-41.1176.3-72.5-83.7000112.9L1199 Q1200 F1206 L1207L1199-F1202 PolarHBondContact O-N 3.19Å; L1199-F1202 VanDerWaalsContact O-N 3.16Å; Q1200-F1202 VanDerWaalsContact C-N 3.28Å; Q1200-F1202 PolarHBondContact O-N 3.07Å; F1202-F1206 HydrophobicContact CD1-CB 4.27Å; F1202-F1206 HydrophobicContact CD1-CD2 4.2Å; F1202-F1206 HydrophobicContact CD1-CG 4.49Å; F1202-F1206 CarbonylContact O-C 3.46Å; F1202-F1206 VanDerWaalsContact O-C 3.3Å; F1202-F1206 WeakPolarHBondContact O-CA 3.12Å; F1202-F1206 PolarHBondContact O-N 3.01Å; F1202-L1207 PolarHBondContact O-N 3.15Å
1203G82.2Confident84.3Confident1 Ų151.3 Ų51.31%0.0126%0.264CS..Hα-helixtrans-70.7-35.7-178.100000114.5L1199 Q1200L1199-G1203 PolarHBondContact O-N 3.3Å; Q1200-G1203 PolarHBondContact O-N 3.38Å
1204C86.3Confident83.5Confident1 Ų153.7 Ų53.71%0.00729%0.289CS..Hα-helixtrans-89.6-28-177.5-60.20000114.1N1046 L1050 Q1200 C1231N1046-C1204 PolarHBondContact ND2-O 3.3Å; L1050-C1204 HydrophobicContact CD1-CB 3.66Å; Q1200-C1204 WeakPolarHBondContact O-CB 3.34Å; Q1200-C1204 PolarHBondContact O-N 2.74Å; Q1200-C1204 PolarHBondContact O-SG 2.89Å; Q1200-C1204 VanDerWaalsContact O-SG 3.36Å; C1204-C1231 HydrophobicContact CB-CB 3.87Å; C1204-C1231 WeakPolarHBondContact CB-SG 3.46Å; C1204-C1231 WeakPolarHBondContact SG-CA 3.25Å; C1204-C1231 WeakPolarHBondContact SG-CB 3.43Å; C1204-C1231 CovalentContact SG-SG 2.04Å; C1204-C1231 PolarHBondContact SG-SG 3.31Å
1205V83.2Confident82.8Confident3 Ų355 Ų552%0.01831%0.309CS..Hα-helixtrans-111.5-43.5-174.8-176.20000112.2A1043 N1046 L1047 L1050 I1201A1043-V1205 HydrophobicContact CB-CG1 4.49Å; N1046-V1205 HydrophobicContact CB-CG2 4.19Å; L1047-V1205 HydrophobicContact CB-CG1 4.19Å; L1047-V1205 HydrophobicContact CB-CG2 3.94Å; L1047-V1205 HydrophobicContact CD1-CG2 4.26Å; L1050-V1205 HydrophobicContact CD1-CG2 4.02Å; I1201-V1205 WeakPolarHBondContact O-CB 3.35Å; I1201-V1205 PolarHBondContact O-N 3.31Å
1206F84.6Confident82.3Confident54 Ų5460.6 Ų60.624%0.23733%0.326CS..SBendtrans-102.422-170.8-61.1-76.8000113.7Y1039 I1201 F1202 S1208 W1209Y1039-F1206 HydrophobicContact CE1-CD1 4.35Å; Y1039-F1206 AromaticContact CE1-CE1 3.7Å; Y1039-F1206 HydrophobicContact CE1-CE1 3.7Å; Y1039-F1206 HydrophobicContact CE1-CZ 4.49Å; Y1039-F1206 AromaticContact CZ-CE1 3.85Å; Y1039-F1206 WeakPolarHBondContact OH-CE1 3.41Å; I1201-F1206 HydrophobicContact CG2-CE2 4.23Å; F1202-F1206 HydrophobicContact CD1-CB 4.27Å; F1202-F1206 HydrophobicContact CD1-CD2 4.2Å; F1202-F1206 HydrophobicContact CD1-CG 4.49Å; F1202-F1206 CarbonylContact O-C 3.46Å; F1202-F1206 VanDerWaalsContact O-C 3.3Å; F1202-F1206 WeakPolarHBondContact O-CA 3.12Å; F1202-F1206 PolarHBondContact O-N 3.01Å; F1206-S1208 PolarHBondContact O-N 2.9Å; F1206-W1209 WeakPolarHBondContact O-CB 3.31Å; F1206-W1209 PolarHBondContact O-N 2.93Å; F1206-W1209 VanDerWaalsContact O-N 3.16Å
1207L81.3Confident81.8Confident19 Ų1959.9 Ų59.910%0.09933%0.326CS..G310 helixtrans-62.4-28.8-178.9-161.770.4000112.6F1202 W1209 F1210 L1239F1202-L1207 PolarHBondContact O-N 3.15Å; L1207-W1209 PolarHBondContact O-N 3.28Å; L1207-F1210 PolarHBondContact O-N 3.29Å; L1207-F1210 VanDerWaalsContact O-N 3.11Å; L1207-L1239 HydrophobicContact CB-CD1 3.73Å
1208S80.4Confident81.2Confident69 Ų6967.3 Ų67.348%0.48336%0.358SS..G310 helixtrans-59.6-25.417759.80000113.8F1206 F1210 D1211F1206-S1208 PolarHBondContact O-N 2.9Å; S1208-F1210 PolarHBondContact O-N 3.12Å; S1208-D1211 PolarHBondContact O-N 3.49Å
1209W82.1Confident81Confident206 Ų20668.5 Ų68.578%0.7836%0.364SS*.G310 helixtrans-67.8-20.7177.6-117.747000113.4F1206 L1207F1206-W1209 WeakPolarHBondContact O-CB 3.31Å; F1206-W1209 PolarHBondContact O-N 2.93Å; F1206-W1209 VanDerWaalsContact O-N 3.16Å; L1207-W1209 PolarHBondContact O-N 3.28Å
1210F80.9Confident80.9Confident25 Ų2568.3 Ų68.311%0.1136%0.362CS..G310 helixtrans-87.2-14.8179.3-66.7-87.2000113.4L1207 S1208 Q1212 L1220 V1223 R1224 I1229 F1245L1207-F1210 PolarHBondContact O-N 3.29Å; L1207-F1210 VanDerWaalsContact O-N 3.11Å; S1208-F1210 PolarHBondContact O-N 3.12Å; F1210-Q1212 VanDerWaalsContact C-N 3.27Å; F1210-Q1212 PolarHBondContact O-N 3.05Å; F1210-Q1212 VanDerWaalsContact O-N 3.1Å; F1210-L1220 HydrophobicContact CD1-CB 4.13Å; F1210-L1220 HydrophobicContact CD1-CD2 4.18Å; F1210-L1220 HydrophobicContact CE1-CD2 4.44Å; F1210-V1223 HydrophobicContact CE1-CG1 4.26Å; F1210-R1224 HydrophobicContact CD1-CB 4.28Å; F1210-I1229 HydrophobicContact CE1-CD1 4.11Å; F1210-I1229 HydrophobicContact CE2-CD1 4.41Å; F1210-I1229 HydrophobicContact CE2-CG2 4.35Å; F1210-I1229 HydrophobicContact CZ-CD1 3.61Å; F1210-F1245 VanDerWaalsContact C-CZ 3.47Å; F1210-F1245 HydrophobicContact CB-CE1 3.88Å; F1210-F1245 HydrophobicContact CB-CZ 3.69Å; F1210-F1245 WeakPolarHBondContact O-CE2 3.42Å; F1210-F1245 VanDerWaalsContact O-CZ 3.26Å; F1210-F1245 WeakPolarHBondContact O-CZ 3.39Å
1211D78.1Confident80.7Confident83 Ų8369.1 Ų69.144%0.44437%0.369SS..  trans-86.959179.8-171.126.6000111.9S1208 L1242 F1245S1208-D1211 PolarHBondContact O-N 3.49Å; D1211-L1242 HydrophobicContact CB-CD2 3.42Å; D1211-L1242 VanDerWaalsContact CB-CD2 3.42Å; D1211-F1245 HydrophobicContact CB-CB 4.29Å; D1211-F1245 HydrophobicContact CB-CD1 4.06Å; D1211-F1245 HydrophobicContact CB-CD2 3.83Å; D1211-F1245 HydrophobicContact CB-CE1 4.36Å; D1211-F1245 HydrophobicContact CB-CE2 4.16Å; D1211-F1245 HydrophobicContact CB-CG 3.79Å; D1211-F1245 HydrophobicContact CB-CZ 4.42Å; D1211-F1245 WeakPolarHBondContact OD1-CD2 3.46Å
1212Q73.4Confident80.7Confident102 Ų10270 Ų7048%0.47737%0.373SS..  trans-93.9137.5168.8-69.5-170.2-10.600109.9F1210 G1217 L1220F1210-Q1212 VanDerWaalsContact C-N 3.27Å; F1210-Q1212 PolarHBondContact O-N 3.05Å; F1210-Q1212 VanDerWaalsContact O-N 3.1Å; Q1212-G1217 WeakPolarHBondContact O-CA 3.43Å; Q1212-L1220 HydrophobicContact CB-CD1 4.1Å; Q1212-L1220 HydrophobicContact CG-CD1 4.1Å
1213S68.8Low80.8Confident123 Ų12367.5 Ų67.586%0.8637%0.367SS*.  trans-80.7147.6173.157.80000111.4
1214G74.3Confident81Confident53 Ų5367.8 Ų67.855%0.54637%0.368SS..SBendtrans103.6-163.8176.700000115.4W1216 G1217 K1218G1214-W1216 VanDerWaalsContact C-N 3.3Å; G1214-W1216 PolarHBondContact O-N 3.43Å; G1214-G1217 PolarHBondContact O-N 3.08Å; G1214-G1217 VanDerWaalsContact O-N 3.13Å; G1214-K1218 PolarHBondContact O-N 3.39Å
1215G77Confident80.9Confident60 Ų6068.6 Ų68.662%0.61937%0.371SS*.Hα-helixtrans-61.3-37.4-178.300000113.2G1217 K1218 T1219G1215-G1217 VanDerWaalsContact C-N 3.33Å; G1215-K1218 PolarHBondContact O-N 3.2Å; G1215-T1219 PolarHBondContact O-N 2.89Å; G1215-T1219 PolarHBondContact O-OG1 2.9Å
1216W81.2Confident81Confident187 Ų18770.7 Ų70.771%0.70838%0.382SS*.Hα-helixtrans-64.2-36.3173.7-91.882.1000112.6G1214 T1219 L1220G1214-W1216 VanDerWaalsContact C-N 3.3Å; G1214-W1216 PolarHBondContact O-N 3.43Å; W1216-T1219 VanDerWaalsContact C-OG1 3.29Å; W1216-T1219 VanDerWaalsContact CA-OG1 3.23Å; W1216-T1219 WeakPolarHBondContact CA-OG1 3.15Å; W1216-T1219 PolarHBondContact O-N 3.5Å; W1216-T1219 PolarHBondContact O-OG1 3.36Å; W1216-L1220 WeakPolarHBondContact O-CB 3.22Å; W1216-L1220 VanDerWaalsContact O-CG 3.32Å; W1216-L1220 WeakPolarHBondContact O-CG 3.47Å; W1216-L1220 PolarHBondContact O-N 3.25Å
1217G79.8Confident81.1Confident9 Ų971.7 Ų71.79%0.09339%0.386CS..Hα-helixtrans-58.8-44.9172.500000114Q1212 G1214 G1215 T1219 L1220 C1221Q1212-G1217 WeakPolarHBondContact O-CA 3.43Å; G1214-G1217 PolarHBondContact O-N 3.08Å; G1214-G1217 VanDerWaalsContact O-N 3.13Å; G1215-G1217 VanDerWaalsContact C-N 3.33Å; G1217-T1219 PolarHBondContact O-N 3.32Å; G1217-L1220 PolarHBondContact O-N 2.79Å; G1217-C1221 WeakPolarHBondContact O-CB 3.38Å; G1217-C1221 PolarHBondContact O-N 3.2Å
1218K78.9Confident81.3Confident160 Ų16071.1 Ų71.170%0.69638%0.384SS*.Hα-helixtrans-62.8-42.4175-69-173.8178.9-177.70111.4G1214 G1215 C1221 I1222G1214-K1218 PolarHBondContact O-N 3.39Å; G1215-K1218 PolarHBondContact O-N 3.2Å; K1218-C1221 PolarHBondContact O-N 3.45Å; K1218-I1222 WeakPolarHBondContact O-CD1 3.4Å; K1218-I1222 VanDerWaalsContact O-CG1 3.25Å; K1218-I1222 WeakPolarHBondContact O-CG1 3.35Å; K1218-I1222 PolarHBondContact O-N 2.92Å
1219T84.2Confident81.6Confident73 Ų7368.3 Ų68.345%0.44836%0.363SS..Hα-helixtrans-65.2-39.4175.542.80000112.5G1215 W1216 G1217 I1222 V1223G1215-T1219 PolarHBondContact O-N 2.89Å; G1215-T1219 PolarHBondContact O-OG1 2.9Å; W1216-T1219 VanDerWaalsContact C-OG1 3.29Å; W1216-T1219 VanDerWaalsContact CA-OG1 3.23Å; W1216-T1219 WeakPolarHBondContact CA-OG1 3.15Å; W1216-T1219 PolarHBondContact O-N 3.5Å; W1216-T1219 PolarHBondContact O-OG1 3.36Å; G1217-T1219 PolarHBondContact O-N 3.32Å; T1219-I1222 PolarHBondContact O-N 2.94Å; T1219-V1223 VanDerWaalsContact O-CG2 3.27Å; T1219-V1223 WeakPolarHBondContact O-CG2 3.49Å; T1219-V1223 PolarHBondContact O-N 2.77Å
1220L85.4Confident81.7Confident33 Ų3359.3 Ų59.317%0.17333%0.331CS..Hα-helixtrans-68.8-37177.4-73.4169.8000112.1F1210 Q1212 W1216 G1217 V1223 R1224F1210-L1220 HydrophobicContact CD1-CB 4.13Å; F1210-L1220 HydrophobicContact CD1-CD2 4.18Å; F1210-L1220 HydrophobicContact CE1-CD2 4.44Å; Q1212-L1220 HydrophobicContact CB-CD1 4.1Å; Q1212-L1220 HydrophobicContact CG-CD1 4.1Å; W1216-L1220 WeakPolarHBondContact O-CB 3.22Å; W1216-L1220 VanDerWaalsContact O-CG 3.32Å; W1216-L1220 WeakPolarHBondContact O-CG 3.47Å; W1216-L1220 PolarHBondContact O-N 3.25Å; G1217-L1220 PolarHBondContact O-N 2.79Å; L1220-V1223 PolarHBondContact O-N 3.27Å; L1220-R1224 WeakPolarHBondContact O-CB 3.41Å; L1220-R1224 PolarHBondContact O-N 3.09Å
1221C84.3Confident81.9Confident24 Ų2459.9 Ų59.916%0.16234%0.338CS..Hα-helixtrans-63.4-42.6171.3175.70000111.9G1217 K1218 V1223 R1224 Q1225 C1249G1217-C1221 WeakPolarHBondContact O-CB 3.38Å; G1217-C1221 PolarHBondContact O-N 3.2Å; K1218-C1221 PolarHBondContact O-N 3.45Å; C1221-V1223 VanDerWaalsContact C-N 3.32Å; C1221-V1223 PolarHBondContact O-N 3.29Å; C1221-R1224 WeakPolarHBondContact O-CB 3.3Å; C1221-R1224 PolarHBondContact O-N 2.94Å; C1221-Q1225 WeakPolarHBondContact O-CG 3.34Å; C1221-Q1225 PolarHBondContact O-N 2.87Å; C1221-C1249 WeakPolarHBondContact CA-SG 3.45Å; C1221-C1249 HydrophobicContact CB-CB 3.98Å; C1221-C1249 WeakPolarHBondContact CB-SG 3.32Å; C1221-C1249 PolarHBondContact O-SG 3.25Å; C1221-C1249 WeakPolarHBondContact SG-CB 3.47Å; C1221-C1249 CovalentContact SG-SG 2.03Å; C1221-C1249 PolarHBondContact SG-SG 3.17Å
1222I84.3Confident82.2Confident76 Ų7656.8 Ų56.839%0.3932%0.322SS..Hα-helixtrans-61.1-42.6173.4-67.2162.9000110.4K1218 T1219 Q1225 L1226 F1636K1218-I1222 WeakPolarHBondContact O-CD1 3.4Å; K1218-I1222 VanDerWaalsContact O-CG1 3.25Å; K1218-I1222 WeakPolarHBondContact O-CG1 3.35Å; K1218-I1222 PolarHBondContact O-N 2.92Å; T1219-I1222 PolarHBondContact O-N 2.94Å; I1222-Q1225 PolarHBondContact O-N 3.19Å; I1222-L1226 WeakPolarHBondContact O-CB 3.5Å; I1222-L1226 PolarHBondContact O-N 3.41Å; I1222-F1636 HydrophobicContact CG1-CB 4.31Å
1223V86.8Confident82.7Confident56 Ų5652.8 Ų52.834%0.33930%0.304SS..Hα-helixtrans-61.9-43.91761710000111.1F1210 T1219 L1220 C1221 Q1225 L1226 F1227F1210-V1223 HydrophobicContact CE1-CG1 4.26Å; T1219-V1223 VanDerWaalsContact O-CG2 3.27Å; T1219-V1223 WeakPolarHBondContact O-CG2 3.49Å; T1219-V1223 PolarHBondContact O-N 2.77Å; L1220-V1223 PolarHBondContact O-N 3.27Å; C1221-V1223 VanDerWaalsContact C-N 3.32Å; C1221-V1223 PolarHBondContact O-N 3.29Å; V1223-Q1225 VanDerWaalsContact C-N 3.34Å; V1223-Q1225 PolarHBondContact O-N 3.2Å; V1223-L1226 PolarHBondContact O-N 3.24Å; V1223-F1227 HydrophobicContact CG1-CD2 3.98Å; V1223-F1227 HydrophobicContact CG1-CE2 4.34Å; V1223-F1227 PolarHBondContact O-N 2.91Å; V1223-F1227 VanDerWaalsContact O-N 3.1Å
1224R86Confident83.3Confident8 Ų854.2 Ų54.23%0.0330%0.302CS..Hα-helixtrans-59-44.1175.6-178.3-175.3167.1-159.9-12.5111.5F1210 L1220 C1221 S1228 I1229 C1249 V1251F1210-R1224 HydrophobicContact CD1-CB 4.28Å; L1220-R1224 WeakPolarHBondContact O-CB 3.41Å; L1220-R1224 PolarHBondContact O-N 3.09Å; C1221-R1224 WeakPolarHBondContact O-CB 3.3Å; C1221-R1224 PolarHBondContact O-N 2.94Å; R1224-S1228 VanDerWaalsContact O-CA 3.27Å; R1224-S1228 WeakPolarHBondContact O-CA 3.28Å; R1224-S1228 PolarHBondContact O-N 3.01Å; R1224-I1229 HydrophobicContact CG-CB 4.32Å; R1224-I1229 WeakPolarHBondContact CG-O 3.4Å; R1224-I1229 PolarHBondContact O-N 2.87Å; R1224-C1249 PolarHBondContact NH1-O 3.49Å; R1224-C1249 PolarHBondContact NH2-O 3.44Å; R1224-V1251 HydrophobicContact CG-CG2 4.04Å
1225Q83.9Confident83.6Confident17 Ų1755.9 Ų55.98%0.07930%0.295CS..Hα-helixtrans-71.5-37.7177.4-71.8177.9-19.500112.7C1221 I1222 V1223 S1228 A1250 V1251 A1635 F1636C1221-Q1225 WeakPolarHBondContact O-CG 3.34Å; C1221-Q1225 PolarHBondContact O-N 2.87Å; I1222-Q1225 PolarHBondContact O-N 3.19Å; V1223-Q1225 VanDerWaalsContact C-N 3.34Å; V1223-Q1225 PolarHBondContact O-N 3.2Å; Q1225-S1228 PolarHBondContact O-N 3.47Å; Q1225-A1250 PolarHBondContact NE2-O 3.41Å; Q1225-V1251 HydrophobicContact CB-CG2 4.48Å; Q1225-V1251 HydrophobicContact CG-CG2 3.82Å; Q1225-A1635 HydrophobicContact CG-CB 4.48Å; Q1225-F1636 VanDerWaalsContact OE1-CB 3.3Å
1226L86Confident83.9Confident48 Ų4853.5 Ų53.525%0.25127%0.269SS..Hα-helixtrans-67.7-41.7-178-166.185.4000112.7L1146 I1222 V1223 F1634L1146-L1226 HydrophobicContact CB-CG 4.19Å; L1146-L1226 HydrophobicContact CD2-CD2 4.15Å; L1146-L1226 PolarHBondContact N-O 3.5Å; I1222-L1226 WeakPolarHBondContact O-CB 3.5Å; I1222-L1226 PolarHBondContact O-N 3.41Å; V1223-L1226 PolarHBondContact O-N 3.24Å; L1226-F1634 HydrophobicContact CD1-CE1 4.35Å; L1226-F1634 HydrophobicContact CD1-CZ 4.41Å
1227F86.6Confident84Confident74 Ų7448.6 Ų48.633%0.32525%0.254SS..Hα-helixtrans-93.6-4.3177.5-70.6-72000113.7L1146 F1147 V1223 I1229L1146-F1227 HydrophobicContact CD2-CE1 3.82Å; L1146-F1227 HydrophobicContact CD2-CZ 4.05Å; F1147-F1227 HydrophobicContact CE2-CD1 4.03Å; F1147-F1227 AromaticContact CZ-CD1 3.88Å; F1147-F1227 HydrophobicContact CZ-CD1 3.88Å; F1147-F1227 HydrophobicContact CZ-CE1 4.38Å; V1223-F1227 HydrophobicContact CG1-CD2 3.98Å; V1223-F1227 HydrophobicContact CG1-CE2 4.34Å; V1223-F1227 PolarHBondContact O-N 2.91Å; V1223-F1227 VanDerWaalsContact O-N 3.1Å; F1227-I1229 HydrophobicContact CB-CD1 4.15Å; F1227-I1229 HydrophobicContact CB-CG1 3.85Å
1228S85.5Confident83.8Confident7 Ų753.5 Ų53.55%0.04928%0.282CS..THydrogen-bonded Turntrans53.452.6-176.4-153.10000113.1R1224 Q1225 T1230 V1251 E1255R1224-S1228 VanDerWaalsContact O-CA 3.27Å; R1224-S1228 WeakPolarHBondContact O-CA 3.28Å; R1224-S1228 PolarHBondContact O-N 3.01Å; Q1225-S1228 PolarHBondContact O-N 3.47Å; S1228-T1230 PolarHBondContact O-N 3.1Å; S1228-V1251 WeakPolarHBondContact OG-CG1 3.22Å; S1228-E1255 WeakPolarHBondContact CB-OE2 3.23Å; S1228-E1255 WeakPolarHBondContact OG-CB 3.19Å; S1228-E1255 PolarHBondContact OG-OE2 2.87Å
1229I86.4Confident83.9Confident10 Ų1046.8 Ų46.85%0.05125%0.254CS..  trans-79.1106.9-178.3-56.4173.7000108.7L1199 F1210 R1224 F1227L1199-I1229 HydrophobicContact CD2-CD1 4.39Å; L1199-I1229 HydrophobicContact CD2-CG1 4.48Å; F1210-I1229 HydrophobicContact CE1-CD1 4.11Å; F1210-I1229 HydrophobicContact CE2-CD1 4.41Å; F1210-I1229 HydrophobicContact CE2-CG2 4.35Å; F1210-I1229 HydrophobicContact CZ-CD1 3.61Å; R1224-I1229 HydrophobicContact CG-CB 4.32Å; R1224-I1229 WeakPolarHBondContact CG-O 3.4Å; R1224-I1229 PolarHBondContact O-N 2.87Å; F1227-I1229 HydrophobicContact CB-CD1 4.15Å; F1227-I1229 HydrophobicContact CB-CG1 3.85Å
1230T83.9Confident83.4Confident18 Ų1850.9 Ų50.911%0.1127%0.265CS..  trans-153.9155.5176.3-169.70000110.3Q1200 S1228 V1232 V1251 T1253Q1200-T1230 PolarHBondContact NE2-O 2.9Å; Q1200-T1230 PolarHBondContact OE1-O 3.36Å; S1228-T1230 PolarHBondContact O-N 3.1Å; T1230-V1232 HydrophobicContact CG2-CG2 4.37Å; T1230-V1251 HydrophobicContact CG2-CG1 4.47Å; T1230-T1253 HydrophobicContact CG2-CG2 4.4Å
1231C85.9Confident82.7Confident36 Ų3656.9 Ų56.924%0.24329%0.292CS..  trans-78124175.7-166.70000110.1C1204 C1236C1204-C1231 HydrophobicContact CB-CB 3.87Å; C1204-C1231 WeakPolarHBondContact CB-SG 3.46Å; C1204-C1231 WeakPolarHBondContact SG-CA 3.25Å; C1204-C1231 WeakPolarHBondContact SG-CB 3.43Å; C1204-C1231 CovalentContact SG-SG 2.04Å; C1204-C1231 PolarHBondContact SG-SG 3.31Å; C1231-C1236 VanDerWaalsContact SG-CB 3.57Å
1232V84.4Confident82.4Confident19 Ų1956.2 Ų56.212%0.11529%0.287CS..  trans-104.6-22.8-177.3175.30000111.7Q1200 T1230 N1234 N1257Q1200-V1232 VanDerWaalsContact NE2-CG2 3.32Å; T1230-V1232 HydrophobicContact CG2-CG2 4.37Å; V1232-N1234 PolarHBondContact O-N 3.21Å; V1232-N1257 WeakPolarHBondContact CG1-OD1 3.06Å
1233N82.8Confident82.1Confident17 Ų1757.2 Ų57.29%0.09129%0.29CS..  trans-74.8116.1179.3-165.6-19.8000110.6E1235 C1236N1233-E1235 PolarHBondContact O-N 3.22Å; N1233-E1235 PolarHBondContact OD1-N 3.3Å; N1233-C1236 PolarHBondContact O-N 3.49Å
1234N81.3Confident81.6Confident153 Ų15360.7 Ų60.782%0.81831%0.307SS*.THydrogen-bonded Turntrans-65.5-21.3-174.8-66.7-18.6000114V1232 C1236V1232-N1234 PolarHBondContact O-N 3.21Å; N1234-C1236 VanDerWaalsContact C-N 3.32Å
1235E80.5Confident81.3Confident88 Ų8861.3 Ų61.341%0.41131%0.31SS..THydrogen-bonded Turntrans-84.7-9.2-177.8-57.3-65.9159.900112.2Y1049 N1233Y1049-E1235 HydrophobicContact CD1-CB 4.35Å; Y1049-E1235 HydrophobicContact CE1-CB 3.62Å; Y1049-E1235 HydrophobicContact CE1-CG 4.39Å; Y1049-E1235 HydrophobicContact CE2-CB 3.8Å; Y1049-E1235 HydrophobicContact CE2-CG 4.47Å; Y1049-E1235 WeakPolarHBondContact OH-CB 3.39Å; Y1049-E1235 VanDerWaalsContact OH-CG 3.28Å; Y1049-E1235 WeakPolarHBondContact OH-CG 3.4Å; N1233-E1235 PolarHBondContact O-N 3.22Å; N1233-E1235 PolarHBondContact OD1-N 3.3Å
1236C83.9Confident80.9Confident11 Ų1162.3 Ų62.37%0.07432%0.319CS..SBendtrans-79.1135.2171.5-69.70000110.6N1046 C1231 N1233 N1234N1046-C1236 HydrophobicContact CB-CB 4.41Å; N1046-C1236 VanDerWaalsContact OD1-CA 3.29Å; N1046-C1236 WeakPolarHBondContact OD1-CA 3.09Å; N1046-C1236 WeakPolarHBondContact OD1-CB 3.34Å; C1231-C1236 VanDerWaalsContact SG-CB 3.57Å; N1233-C1236 PolarHBondContact O-N 3.49Å; N1234-C1236 VanDerWaalsContact C-N 3.32Å
1237H82.8Confident80.4Confident83 Ų8365.9 Ų65.938%0.38433%0.332SS..PPolyproline II helixtrans-64.4137.6173.8-71.3-167.4000111.3D1042 F1045 N1046 L1239D1042-H1237 HydrophobicContact CB-CB 4.1Å; D1042-H1237 IonicContact OD1-CG 3.09Å; D1042-H1237 IonicContact OD1-ND1 3.31Å; D1042-H1237 PolarHBondContact OD1-ND1 2.95Å; F1045-H1237 HydrophobicContact CD1-CB 4.47Å; F1045-H1237 AromaticContact CD1-CD2 3.59Å; F1045-H1237 AromaticContact CD1-CE1 3.95Å; F1045-H1237 AromaticContact CD1-CG 3.78Å; F1045-H1237 AromaticContact CD1-NE2 3.74Å; F1045-H1237 AromaticContact CE1-CD2 3.43Å; F1045-H1237 VanDerWaalsContact CE1-CD2 3.43Å; F1045-H1237 WeakPolarHBondContact CE1-CD2 3.48Å; F1045-H1237 AromaticContact CE1-NE2 3.46Å; F1045-H1237 WeakPolarHBondContact CE1-NE2 3.5Å; F1045-H1237 AromaticContact CZ-NE2 3.75Å; N1046-H1237 PolarHBondContact ND2-O 3.41Å; N1046-H1237 PolarHBondContact OD1-N 2.99Å; H1237-L1239 PolarHBondContact O-N 3.11Å
1238V76Confident79.9Confident113 Ų11366.5 Ų66.569%0.68535%0.351SS*.PPolyproline II helixtrans-70.6124.9170.6-176.80000108.5K1240V1238-K1240 PolarHBondContact O-N 2.76Å
1239L81Confident79.6Confident18 Ų1866.3 Ų66.39%0.09435%0.349CS..  trans-6595.9178.3-67.2159.8000110D1042 A1043 L1207 H1237 E1241 L1242D1042-L1239 HydrophobicContact CB-CD2 4.27Å; A1043-L1239 HydrophobicContact CB-CD2 3.9Å; L1207-L1239 HydrophobicContact CB-CD1 3.73Å; H1237-L1239 PolarHBondContact O-N 3.11Å; L1239-E1241 PolarHBondContact O-N 3.42Å; L1239-L1242 HydrophobicContact CB-CB 4.45Å; L1239-L1242 HydrophobicContact CB-CD1 4.05Å; L1239-L1242 HydrophobicContact CD1-CD1 4.26Å; L1239-L1242 PolarHBondContact O-N 2.64Å
1240K74.6Confident79.2Confident160 Ų16067.9 Ų67.970%0.69636%0.364SS*.G310 helixtrans-56-35.6-172.9-71.2177.5-177.8167.10113.6V1238 L1242 E1243V1238-K1240 PolarHBondContact O-N 2.76Å; K1240-L1242 PolarHBondContact O-N 2.98Å; K1240-L1242 VanDerWaalsContact O-N 3.14Å; K1240-E1243 PolarHBondContact O-N 3.44Å
1241E70.9Confident78.9Confident159 Ų15968.2 Ų68.274%0.74337%0.366SS*.G310 helixtrans-61.9-19.9179-63.7178.4174.500113.3L1239L1239-E1241 PolarHBondContact O-N 3.42Å
1242L77.5Confident78.5Confident10 Ų1070.5 Ų70.55%0.05237%0.373CS..G310 helixtrans-112.112.4-173.1-77.4134.4000113.6D1211 L1239 K1240 D1244 F1245 S1246D1211-L1242 HydrophobicContact CB-CD2 3.42Å; D1211-L1242 VanDerWaalsContact CB-CD2 3.42Å; L1239-L1242 HydrophobicContact CB-CB 4.45Å; L1239-L1242 HydrophobicContact CB-CD1 4.05Å; L1239-L1242 HydrophobicContact CD1-CD1 4.26Å; L1239-L1242 PolarHBondContact O-N 2.64Å; K1240-L1242 PolarHBondContact O-N 2.98Å; K1240-L1242 VanDerWaalsContact O-N 3.14Å; L1242-D1244 VanDerWaalsContact C-N 3.34Å; L1242-D1244 PolarHBondContact O-N 3.07Å; L1242-F1245 HydrophobicContact CD2-CB 4.04Å; L1242-F1245 HydrophobicContact CD2-CD1 3.67Å; L1242-F1245 HydrophobicContact CD2-CE1 4.48Å; L1242-F1245 HydrophobicContact CD2-CG 4.07Å; L1242-F1245 PolarHBondContact O-N 3.37Å; L1242-S1246 WeakPolarHBondContact O-CB 3.29Å; L1242-S1246 PolarHBondContact O-N 3.24Å
1243E77.4Confident78.1Confident96 Ų9673.5 Ų73.545%0.44939%0.392SS..Hα-helixtrans-61.9-42.2-178-160.7-173.2145.300111.6K1240 S1246 K1247K1240-E1243 PolarHBondContact O-N 3.44Å; E1243-S1246 WeakPolarHBondContact O-CB 3.41Å; E1243-S1246 PolarHBondContact O-N 3.02Å; E1243-S1246 PolarHBondContact O-OG 2.85Å; E1243-K1247 PolarHBondContact O-N 3.25Å; E1243-K1247 WeakPolarHBondContact OE1-CE 3.4Å; E1243-K1247 IonicContact OE1-NZ 2.62Å; E1243-K1247 PolarHBondContact OE1-NZ 3.47Å
1244D77.4Confident77.8Confident129 Ų12979.3 Ų79.369%0.6942%0.416SS*.Hα-helixtrans-67.2-40.1177.6-71.9-20.6000112.1L1242 S1246 K1247 A1248L1242-D1244 VanDerWaalsContact C-N 3.34Å; L1242-D1244 PolarHBondContact O-N 3.07Å; D1244-S1246 VanDerWaalsContact C-N 3.31Å; D1244-S1246 PolarHBondContact O-N 2.94Å; D1244-K1247 PolarHBondContact O-N 3Å; D1244-A1248 WeakPolarHBondContact O-CB 3.43Å; D1244-A1248 PolarHBondContact O-N 3.27Å
1245F79.8Confident77.6Confident22 Ų2272.8 Ų72.810%0.09638%0.381CS..Hα-helixtrans-62.7-38.8172.2173.9-107.3000111.8F1210 D1211 L1242 K1247 A1248 C1249F1210-F1245 VanDerWaalsContact C-CZ 3.47Å; F1210-F1245 HydrophobicContact CB-CE1 3.88Å; F1210-F1245 HydrophobicContact CB-CZ 3.69Å; F1210-F1245 WeakPolarHBondContact O-CE2 3.42Å; F1210-F1245 VanDerWaalsContact O-CZ 3.26Å; F1210-F1245 WeakPolarHBondContact O-CZ 3.39Å; D1211-F1245 HydrophobicContact CB-CB 4.29Å; D1211-F1245 HydrophobicContact CB-CD1 4.06Å; D1211-F1245 HydrophobicContact CB-CD2 3.83Å; D1211-F1245 HydrophobicContact CB-CE1 4.36Å; D1211-F1245 HydrophobicContact CB-CE2 4.16Å; D1211-F1245 HydrophobicContact CB-CG 3.79Å; D1211-F1245 HydrophobicContact CB-CZ 4.42Å; D1211-F1245 WeakPolarHBondContact OD1-CD2 3.46Å; L1242-F1245 HydrophobicContact CD2-CB 4.04Å; L1242-F1245 HydrophobicContact CD2-CD1 3.67Å; L1242-F1245 HydrophobicContact CD2-CE1 4.48Å; L1242-F1245 HydrophobicContact CD2-CG 4.07Å; L1242-F1245 PolarHBondContact O-N 3.37Å; F1245-K1247 VanDerWaalsContact C-N 3.31Å; F1245-K1247 PolarHBondContact O-N 3.02Å; F1245-A1248 PolarHBondContact O-N 3.02Å; F1245-C1249 HydrophobicContact CE2-CB 4.24Å; F1245-C1249 HydrophobicContact CZ-CB 4.31Å; F1245-C1249 PolarHBondContact O-N 3.48Å
1246S74.7Confident77.3Confident38 Ų3868.9 Ų68.927%0.26636%0.364SS..Hα-helixtrans-64.5-35.3176.685.10000112.4L1242 E1243 D1244 C1249 A1250L1242-S1246 WeakPolarHBondContact O-CB 3.29Å; L1242-S1246 PolarHBondContact O-N 3.24Å; E1243-S1246 WeakPolarHBondContact O-CB 3.41Å; E1243-S1246 PolarHBondContact O-N 3.02Å; E1243-S1246 PolarHBondContact O-OG 2.85Å; D1244-S1246 VanDerWaalsContact C-N 3.31Å; D1244-S1246 PolarHBondContact O-N 2.94Å; S1246-C1249 CarbonylContact O-C 3.57Å; S1246-A1250 VanDerWaalsContact O-CA 3.32Å; S1246-A1250 WeakPolarHBondContact O-CA 3.26Å; S1246-A1250 PolarHBondContact O-N 2.92Å
1247K75.6Confident77.4Confident123 Ų12371.4 Ų71.454%0.53538%0.377SS..Hα-helixtrans-73.9-40.4175.1-72.5171.8-173.5157.60112.1E1243 D1244 F1245E1243-K1247 PolarHBondContact O-N 3.25Å; E1243-K1247 WeakPolarHBondContact OE1-CE 3.4Å; E1243-K1247 IonicContact OE1-NZ 2.62Å; E1243-K1247 PolarHBondContact OE1-NZ 3.47Å; D1244-K1247 PolarHBondContact O-N 3Å; F1245-K1247 VanDerWaalsContact C-N 3.31Å; F1245-K1247 PolarHBondContact O-N 3.02Å
1248A75.2Confident77.7Confident87 Ų8767.5 Ų67.572%0.71936%0.358SS*.Hα-helixtrans-67.4-37.9177.300000112.3D1244 F1245D1244-A1248 WeakPolarHBondContact O-CB 3.43Å; D1244-A1248 PolarHBondContact O-N 3.27Å; F1245-A1248 PolarHBondContact O-N 3.02Å
1249C80.6Confident78.2Confident2 Ų263 Ų631%0.01434%0.336CS..THydrogen-bonded Turntrans-11864.7179.6-167.40000111.2C1221 R1224 F1245 S1246C1221-C1249 WeakPolarHBondContact CA-SG 3.45Å; C1221-C1249 HydrophobicContact CB-CB 3.98Å; C1221-C1249 WeakPolarHBondContact CB-SG 3.32Å; C1221-C1249 PolarHBondContact O-SG 3.25Å; C1221-C1249 WeakPolarHBondContact SG-CB 3.47Å; C1221-C1249 CovalentContact SG-SG 2.03Å; C1221-C1249 PolarHBondContact SG-SG 3.17Å; R1224-C1249 PolarHBondContact NH1-O 3.49Å; R1224-C1249 PolarHBondContact NH2-O 3.44Å; F1245-C1249 HydrophobicContact CE2-CB 4.24Å; F1245-C1249 HydrophobicContact CZ-CB 4.31Å; F1245-C1249 PolarHBondContact O-N 3.48Å; S1246-C1249 CarbonylContact O-C 3.57Å
1250A77.6Confident78.6Confident43 Ų4367.9 Ų67.936%0.35536%0.356SS..  trans-67.8139.3-175.800000112.6Q1225 S1246Q1225-A1250 PolarHBondContact NE2-O 3.41Å; S1246-A1250 VanDerWaalsContact O-CA 3.32Å; S1246-A1250 WeakPolarHBondContact O-CA 3.26Å; S1246-A1250 PolarHBondContact O-N 2.92Å
1251V77.2Confident79.4Confident26 Ų2660.4 Ų60.416%0.15832%0.324CS..  trans-136.3135.1174.3176.50000108.1R1224 Q1225 S1228 T1230R1224-V1251 HydrophobicContact CG-CG2 4.04Å; Q1225-V1251 HydrophobicContact CB-CG2 4.48Å; Q1225-V1251 HydrophobicContact CG-CG2 3.82Å; S1228-V1251 WeakPolarHBondContact OG-CG1 3.22Å; T1230-V1251 HydrophobicContact CG2-CG1 4.47Å
1252E76.7Confident80.4Confident84 Ų8453.3 Ų53.339%0.39329%0.291SS..  trans-75.4126.4178.9-71.5-175.4-162.900111.8K1254 E1255 Q1663E1252-K1254 PolarHBondContact O-N 3.29Å; E1252-K1254 VanDerWaalsContact O-N 3.14Å; E1252-E1255 HydrophobicContact CB-CG 4.32Å; E1252-E1255 PolarHBondContact O-N 3.42Å; E1252-Q1663 PolarHBondContact OE1-NE2 2.98Å
1253T75.7Confident81Confident82 Ų8256.8 Ų56.850%0.50331%0.309SS..Hα-helixtrans-62.4-22.8-179.253.60000114T1230 E1255 G1256T1230-T1253 HydrophobicContact CG2-CG2 4.4Å; T1253-E1255 VanDerWaalsContact C-N 3.26Å; T1253-E1255 PolarHBondContact O-N 2.79Å; T1253-G1256 PolarHBondContact O-N 3.49Å
1254K77.8Confident81.7Confident138 Ų13852.2 Ų52.260%0.629%0.288SS*.Hα-helixtrans-63.5-30178-69.2179.4-176.6169.30113E1252 N1257E1252-K1254 PolarHBondContact O-N 3.29Å; E1252-K1254 VanDerWaalsContact O-N 3.14Å; K1254-N1257 WeakPolarHBondContact O-CB 3.4Å; K1254-N1257 PolarHBondContact O-N 3.45Å
1255E75.9Confident82.5Confident17 Ų1746.2 Ų46.28%0.07926%0.255CS..Hα-helixtrans-75.5-29.3-176.2-62.8-173.3156.400113.1T1144 K1196 S1228 E1252 T1253 N1257T1144-E1255 WeakPolarHBondContact CA-OE1 3.45Å; T1144-E1255 VanDerWaalsContact CB-OE1 3.3Å; T1144-E1255 WeakPolarHBondContact CB-OE1 3.36Å; T1144-E1255 PolarHBondContact N-OE1 3.41Å; T1144-E1255 PolarHBondContact OG1-OE1 2.9Å; K1196-E1255 PolarHBondContact NZ-O 3.49Å; S1228-E1255 WeakPolarHBondContact CB-OE2 3.23Å; S1228-E1255 WeakPolarHBondContact OG-CB 3.19Å; S1228-E1255 PolarHBondContact OG-OE2 2.87Å; E1252-E1255 HydrophobicContact CB-CG 4.32Å; E1252-E1255 PolarHBondContact O-N 3.42Å; T1253-E1255 VanDerWaalsContact C-N 3.26Å; T1253-E1255 PolarHBondContact O-N 2.79Å; E1255-N1257 VanDerWaalsContact C-N 3.28Å; E1255-N1257 PolarHBondContact O-N 3.04Å
1256G76Confident83.1Confident5 Ų546.2 Ų46.25%0.05226%0.258CS..Hα-helixtrans-72.9-17.2175.300000113.8T1253T1253-G1256 PolarHBondContact O-N 3.49Å
1257N84.2Confident83.9Confident65 Ų6548.4 Ų48.435%0.34826%0.263SS..  trans-68.4146177.4-86.5-48000112.3K1196 V1232 K1254 E1255K1196-N1257 PolarHBondContact NZ-O 3.16Å; V1232-N1257 WeakPolarHBondContact CG1-OD1 3.06Å; K1254-N1257 WeakPolarHBondContact O-CB 3.4Å; K1254-N1257 PolarHBondContact O-N 3.45Å; E1255-N1257 VanDerWaalsContact C-N 3.28Å; E1255-N1257 PolarHBondContact O-N 3.04Å
1258I89.4Confident84.7Confident0 Ų042.6 Ų42.60%024%0.238CC..  trans-100.51.8-179.862.9163000114.1I971 F972 M975 I1193 K1196 V1197 F1260 D1261 V1262I971-I1258 HydrophobicContact CG2-CD1 3.78Å; F972-I1258 HydrophobicContact CB-CD1 3.97Å; F972-I1258 HydrophobicContact CB-CG1 4.01Å; F972-I1258 HydrophobicContact CD2-CG1 3.69Å; F972-I1258 HydrophobicContact CG-CG1 4.3Å; M975-I1258 HydrophobicContact CE-CG1 4.17Å; M975-I1258 HydrophobicContact CE-CG2 3.9Å; M975-I1258 HydrophobicContact SD-CD1 3.59Å; M975-I1258 VanDerWaalsContact SD-CD1 3.59Å; M975-I1258 HydrophobicContact SD-CG1 3.7Å; M975-I1258 HydrophobicContact SD-CG2 4.29Å; I1193-I1258 HydrophobicContact CG2-CD1 4.18Å; K1196-I1258 HydrophobicContact CB-CG2 3.59Å; K1196-I1258 HydrophobicContact CD-CG2 3.62Å; K1196-I1258 HydrophobicContact CG-CG2 4.28Å; V1197-I1258 HydrophobicContact CG2-CD1 4.24Å; I1258-F1260 PolarHBondContact O-N 3.14Å; I1258-D1261 WeakPolarHBondContact O-CA 3.3Å; I1258-D1261 VanDerWaalsContact O-CB 3.3Å; I1258-D1261 WeakPolarHBondContact O-CB 3.5Å; I1258-D1261 PolarHBondContact O-N 3.02Å; I1258-V1262 HydrophobicContact CD1-CG2 4.3Å; I1258-V1262 PolarHBondContact O-N 3.32Å
1259G87.7Confident85.5Confident20 Ų2039.2 Ų39.221%0.20621%0.209CC..Hα-helixtrans-56.2-45.8-172.400000114.5D1261 V1262 I1263G1259-D1261 VanDerWaalsContact C-N 3.28Å; G1259-D1261 PolarHBondContact O-N 3.05Å; G1259-V1262 PolarHBondContact O-N 2.92Å; G1259-I1263 WeakPolarHBondContact O-CG1 3.42Å; G1259-I1263 PolarHBondContact O-N 3.45Å
1260F88.6Confident86Confident119 Ų11942.9 Ų42.952%0.52222%0.224SC..Hα-helixtrans-67.4-29176.5-73.2-74.9000113A1139 A1142 I1258 I1263 A1264A1139-F1260 HydrophobicContact CB-CB 4.19Å; A1142-F1260 HydrophobicContact CB-CB 4.49Å; A1142-F1260 HydrophobicContact CB-CD1 4.35Å; A1142-F1260 HydrophobicContact CB-CD2 3.43Å; A1142-F1260 VanDerWaalsContact CB-CD2 3.43Å; A1142-F1260 HydrophobicContact CB-CE1 4.47Å; A1142-F1260 HydrophobicContact CB-CE2 3.58Å; A1142-F1260 HydrophobicContact CB-CG 3.85Å; A1142-F1260 HydrophobicContact CB-CZ 4.11Å; I1258-F1260 PolarHBondContact O-N 3.14Å; F1260-I1263 PolarHBondContact O-N 3.38Å; F1260-A1264 WeakPolarHBondContact O-CB 3.33Å; F1260-A1264 PolarHBondContact O-N 3.47Å
1261D90.7Very high86.6Confident3 Ų341 Ų412%0.01621%0.208CC..Hα-helixtrans-68.3-39.5175.3-60.4-56.2000111Y1151 T1189 I1193 K1196 I1258 G1259 A1264 L1265Y1151-D1261 WeakPolarHBondContact CE2-OD1 3.33Å; Y1151-D1261 VanDerWaalsContact CZ-OD1 3.25Å; Y1151-D1261 PolarHBondContact OH-OD1 3.5Å; T1189-D1261 WeakPolarHBondContact CG2-O 3.45Å; I1193-D1261 HydrophobicContact CD1-CB 4.09Å; I1193-D1261 HydrophobicContact CG1-CB 3.61Å; K1196-D1261 IonicContact NZ-OD2 3.74Å; K1196-D1261 PolarHBondContact NZ-OD2 2.87Å; I1258-D1261 WeakPolarHBondContact O-CA 3.3Å; I1258-D1261 VanDerWaalsContact O-CB 3.3Å; I1258-D1261 WeakPolarHBondContact O-CB 3.5Å; I1258-D1261 PolarHBondContact O-N 3.02Å; G1259-D1261 VanDerWaalsContact C-N 3.28Å; G1259-D1261 PolarHBondContact O-N 3.05Å; D1261-A1264 PolarHBondContact O-N 2.78Å; D1261-L1265 WeakPolarHBondContact O-CB 3.32Å; D1261-L1265 PolarHBondContact O-N 3.49Å
1262V91.8Very high87.2Confident10 Ų1040.9 Ų40.96%0.06121%0.206CC..Hα-helixtrans-67.3-34.7175.7178.10000112G968 I969 F972 I1193 I1258 G1259 L1265 S1266G968-V1262 WeakPolarHBondContact O-CG2 3.29Å; I969-V1262 HydrophobicContact CG1-CG1 4.32Å; F972-V1262 HydrophobicContact CB-CG2 4.26Å; I1193-V1262 HydrophobicContact CD1-CG2 4.48Å; I1258-V1262 HydrophobicContact CD1-CG2 4.3Å; I1258-V1262 PolarHBondContact O-N 3.32Å; G1259-V1262 PolarHBondContact O-N 2.92Å; V1262-L1265 WeakPolarHBondContact O-CB 3.33Å; V1262-L1265 PolarHBondContact O-N 3.38Å; V1262-S1266 PolarHBondContact O-N 3.01Å; V1262-S1266 PolarHBondContact O-OG 3.49Å
1263I91.7Very high87.7Confident84 Ų8439.7 Ų39.743%0.43120%0.198SC..Hα-helixtrans-67-47.3173.4-65.7171000110.3G1259 F1260 L1265 S1266 F1267G1259-I1263 WeakPolarHBondContact O-CG1 3.42Å; G1259-I1263 PolarHBondContact O-N 3.45Å; F1260-I1263 PolarHBondContact O-N 3.38Å; I1263-L1265 VanDerWaalsContact C-N 3.3Å; I1263-L1265 PolarHBondContact O-N 3.04Å; I1263-S1266 WeakPolarHBondContact O-CB 3.37Å; I1263-S1266 PolarHBondContact O-N 3.22Å; I1263-S1266 VanDerWaalsContact O-N 3.14Å; I1263-F1267 HydrophobicContact CG2-CD2 3.99Å; I1263-F1267 HydrophobicContact CG2-CE2 3.92Å; I1263-F1267 WeakPolarHBondContact O-CD2 3.25Å; I1263-F1267 PolarHBondContact O-N 2.91Å; I1263-F1267 VanDerWaalsContact O-N 3.15Å
1264A91.7Very high88.3Confident0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-58.4-42.8175.200000111.4T1136 A1139 F1260 D1261 S1266 F1267 L1268T1136-A1264 HydrophobicContact CG2-CB 4.23Å; A1139-A1264 HydrophobicContact CB-CB 4.33Å; F1260-A1264 WeakPolarHBondContact O-CB 3.33Å; F1260-A1264 PolarHBondContact O-N 3.47Å; D1261-A1264 PolarHBondContact O-N 2.78Å; A1264-S1266 VanDerWaalsContact C-N 3.33Å; A1264-S1266 PolarHBondContact O-N 2.64Å; A1264-F1267 PolarHBondContact O-N 2.96Å; A1264-L1268 WeakPolarHBondContact O-CB 3.2Å; A1264-L1268 VanDerWaalsContact O-CG 3.26Å; A1264-L1268 WeakPolarHBondContact O-CG 3.39Å; A1264-L1268 PolarHBondContact O-N 3.08Å
1265L93.5Very high88.8Confident2 Ų230.5 Ų30.51%0.0115%0.152CC..Hα-helixtrans-56.6-45.6174.2178.667.7000111.6L986 L1186 T1189 L1190 I1193 D1261 V1262 I1263 F1267 L1268 V1269L986-L1265 HydrophobicContact CD2-CD2 3.87Å; L1186-L1265 HydrophobicContact CD1-CD1 3.53Å; T1189-L1265 HydrophobicContact CG2-CB 4.03Å; L1190-L1265 HydrophobicContact CD2-CD1 3.82Å; L1190-L1265 HydrophobicContact CD2-CD2 4.48Å; L1190-L1265 HydrophobicContact CG-CD1 4.31Å; I1193-L1265 HydrophobicContact CD1-CB 4.43Å; I1193-L1265 HydrophobicContact CD1-CD2 4.18Å; D1261-L1265 WeakPolarHBondContact O-CB 3.32Å; D1261-L1265 PolarHBondContact O-N 3.49Å; V1262-L1265 WeakPolarHBondContact O-CB 3.33Å; V1262-L1265 PolarHBondContact O-N 3.38Å; I1263-L1265 VanDerWaalsContact C-N 3.3Å; I1263-L1265 PolarHBondContact O-N 3.04Å; L1265-F1267 PolarHBondContact O-N 3.41Å; L1265-L1268 PolarHBondContact O-N 3.01Å; L1265-V1269 HydrophobicContact CD1-CG2 4.08Å; L1265-V1269 HydrophobicContact CG-CG2 4.38Å; L1265-V1269 WeakPolarHBondContact O-CB 3.36Å; L1265-V1269 VanDerWaalsContact O-CG2 3.31Å; L1265-V1269 WeakPolarHBondContact O-CG2 3.08Å; L1265-V1269 PolarHBondContact O-N 3.14Å
1266S92.3Very high89.2Confident23 Ų2331.7 Ų31.716%0.16116%0.158CC..Hα-helixtrans-59.1-48.1179.7-59.90000111.7V1262 I1263 A1264 F1270V1262-S1266 PolarHBondContact O-N 3.01Å; V1262-S1266 PolarHBondContact O-OG 3.49Å; I1263-S1266 WeakPolarHBondContact O-CB 3.37Å; I1263-S1266 PolarHBondContact O-N 3.22Å; I1263-S1266 VanDerWaalsContact O-N 3.14Å; A1264-S1266 VanDerWaalsContact C-N 3.33Å; A1264-S1266 PolarHBondContact O-N 2.64Å; S1266-F1270 VanDerWaalsContact O-CD2 3.24Å; S1266-F1270 WeakPolarHBondContact O-CD2 3.39Å; S1266-F1270 PolarHBondContact O-N 2.95Å; S1266-F1270 VanDerWaalsContact O-N 3.16Å
1267F92.7Very high89.6Confident84 Ų8432.8 Ų32.837%0.36817%0.165SC..Hα-helixtrans-66.2-40177.2-81.1-74.5000112.6I1131 T1132 S1135 I1263 A1264 L1265 F1270 Q1271I1131-F1267 HydrophobicContact CG2-CE1 4.09Å; T1132-F1267 HydrophobicContact CG2-CB 3.9Å; T1132-F1267 HydrophobicContact CG2-CD1 4.22Å; T1132-F1267 HydrophobicContact CG2-CG 4.49Å; S1135-F1267 WeakPolarHBondContact OG-CD2 3.49Å; I1263-F1267 HydrophobicContact CG2-CD2 3.99Å; I1263-F1267 HydrophobicContact CG2-CE2 3.92Å; I1263-F1267 WeakPolarHBondContact O-CD2 3.25Å; I1263-F1267 PolarHBondContact O-N 2.91Å; I1263-F1267 VanDerWaalsContact O-N 3.15Å; A1264-F1267 PolarHBondContact O-N 2.96Å; L1265-F1267 PolarHBondContact O-N 3.41Å; F1267-F1270 PolarHBondContact O-N 3.14Å; F1267-Q1271 VanDerWaalsContact O-CB 3.25Å; F1267-Q1271 WeakPolarHBondContact O-CB 3.13Å; F1267-Q1271 PolarHBondContact O-N 3.44Å
1268L92.8Very high89.7Confident0 Ų033.8 Ų33.80%016%0.164CC..Hα-helixtrans-63.4-45.5178-73.6170.1000111.9T1136 W1182 L1185 L1186 A1264 L1265 F1270 Q1271 I1272T1136-L1268 HydrophobicContact CG2-CD1 4.21Å; T1136-L1268 HydrophobicContact CG2-CD2 4.34Å; T1136-L1268 HydrophobicContact CG2-CG 4.32Å; W1182-L1268 HydrophobicContact CE3-CD2 3.61Å; W1182-L1268 HydrophobicContact CZ3-CD2 3.58Å; L1185-L1268 HydrophobicContact CD2-CD2 3.92Å; L1185-L1268 HydrophobicContact CG-CD1 4.24Å; L1185-L1268 HydrophobicContact CG-CD2 4.14Å; L1186-L1268 HydrophobicContact CD1-CB 4.21Å; A1264-L1268 WeakPolarHBondContact O-CB 3.2Å; A1264-L1268 VanDerWaalsContact O-CG 3.26Å; A1264-L1268 WeakPolarHBondContact O-CG 3.39Å; A1264-L1268 PolarHBondContact O-N 3.08Å; L1265-L1268 PolarHBondContact O-N 3.01Å; L1268-F1270 PolarHBondContact O-N 2.88Å; L1268-Q1271 PolarHBondContact O-N 3.13Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.45Å; L1268-I1272 PolarHBondContact O-N 2.96Å
1269V91.2Very high89.6Confident17 Ų1735.4 Ų35.410%0.10317%0.17CC..Hα-helixtrans-60.5-45.5177.2169.80000110.9E961 M964 L1186 L1265 R1273E961-V1269 HydrophobicContact CB-CG1 4.06Å; E961-V1269 HydrophobicContact CG-CG1 3.87Å; M964-V1269 HydrophobicContact CE-CG1 3.73Å; L1186-V1269 HydrophobicContact CD1-CG2 4.46Å; L1265-V1269 HydrophobicContact CD1-CG2 4.08Å; L1265-V1269 HydrophobicContact CG-CG2 4.38Å; L1265-V1269 WeakPolarHBondContact O-CB 3.36Å; L1265-V1269 VanDerWaalsContact O-CG2 3.31Å; L1265-V1269 WeakPolarHBondContact O-CG2 3.08Å; L1265-V1269 PolarHBondContact O-N 3.14Å; V1269-R1273 PolarHBondContact O-N 2.96Å; V1269-R1273 VanDerWaalsContact O-N 3.12Å
1270F90.4Very high89.6Confident78 Ų7834.5 Ų34.534%0.34216%0.16SC..Hα-helixtrans-66.2-38.4176.1-83.8-64.1000113F958 I965 S1266 F1267 L1268 R1273 I1274F958-F1270 HydrophobicContact CD1-CE1 4.25Å; I965-F1270 HydrophobicContact CD1-CD2 4.21Å; I965-F1270 HydrophobicContact CD1-CE2 3.55Å; I965-F1270 HydrophobicContact CD1-CZ 4.24Å; S1266-F1270 VanDerWaalsContact O-CD2 3.24Å; S1266-F1270 WeakPolarHBondContact O-CD2 3.39Å; S1266-F1270 PolarHBondContact O-N 2.95Å; S1266-F1270 VanDerWaalsContact O-N 3.16Å; F1267-F1270 PolarHBondContact O-N 3.14Å; L1268-F1270 PolarHBondContact O-N 2.88Å; F1270-R1273 WeakPolarHBondContact O-CB 3.35Å; F1270-R1273 PolarHBondContact O-N 3.06Å; F1270-I1274 WeakPolarHBondContact O-CG1 3.24Å; F1270-I1274 PolarHBondContact O-N 3.44Å
1271Q91.3Very high89.6Confident4 Ų429.2 Ų29.22%0.01914%0.137CC..Hα-helixtrans-68.1-38.3179.3-172.759.830.300112.1T1132 W1182 F1267 L1268 R1273 I1274 F1275T1132-Q1271 HydrophobicContact CG2-CB 3.67Å; T1132-Q1271 HydrophobicContact CG2-CG 3.93Å; W1182-Q1271 HydrophobicContact CH2-CG 4.45Å; W1182-Q1271 HydrophobicContact CZ3-CG 4.41Å; F1267-Q1271 VanDerWaalsContact O-CB 3.25Å; F1267-Q1271 WeakPolarHBondContact O-CB 3.13Å; F1267-Q1271 PolarHBondContact O-N 3.44Å; L1268-Q1271 PolarHBondContact O-N 3.13Å; Q1271-R1273 VanDerWaalsContact C-N 3.31Å; Q1271-R1273 PolarHBondContact O-N 3.4Å; Q1271-I1274 WeakPolarHBondContact O-CB 3.1Å; Q1271-I1274 PolarHBondContact O-N 3.24Å; Q1271-F1275 HydrophobicContact CG-CD2 4.43Å; Q1271-F1275 HydrophobicContact CG-CE1 4.44Å; Q1271-F1275 HydrophobicContact CG-CE2 3.78Å; Q1271-F1275 HydrophobicContact CG-CZ 3.79Å; Q1271-F1275 WeakPolarHBondContact O-CD2 3.5Å; Q1271-F1275 WeakPolarHBondContact O-CG 3.49Å; Q1271-F1275 PolarHBondContact O-N 3.19Å
1272I88.9Confident89.5Confident24 Ų2430.4 Ų30.412%0.12314%0.143CC..Hα-helixtrans-62.9-40.9172.4-70.1166.6000110.1L1186 L1268 I1274 F1275 H1276L1186-I1272 HydrophobicContact CB-CD1 4.24Å; L1186-I1272 HydrophobicContact CD2-CD1 3.66Å; L1186-I1272 HydrophobicContact CG-CD1 4.43Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.45Å; L1268-I1272 PolarHBondContact O-N 2.96Å; I1272-I1274 VanDerWaalsContact C-N 3.31Å; I1272-I1274 PolarHBondContact O-N 3.35Å; I1272-F1275 PolarHBondContact O-N 3.04Å; I1272-H1276 PolarHBondContact O-CD2 3.46Å; I1272-H1276 PolarHBondContact O-N 3.49Å; I1272-H1276 VanDerWaalsContact O-N 3.16Å
1273R88Confident89.3Confident59 Ų5930 Ų3022%0.22314%0.14CC..Hα-helixtrans-61.7-37.8173.3-174.362.7171.8171.9-1112.4E961 N1089 V1269 F1270 Q1271 H1276 S1277E961-R1273 WeakPolarHBondContact OE1-CD 3.46Å; E961-R1273 IonicContact OE1-NE 3.16Å; N1089-R1273 PolarHBondContact O-NH1 3.13Å; V1269-R1273 PolarHBondContact O-N 2.96Å; V1269-R1273 VanDerWaalsContact O-N 3.12Å; F1270-R1273 WeakPolarHBondContact O-CB 3.35Å; F1270-R1273 PolarHBondContact O-N 3.06Å; Q1271-R1273 VanDerWaalsContact C-N 3.31Å; Q1271-R1273 PolarHBondContact O-N 3.4Å; R1273-H1276 PolarHBondContact O-N 2.96Å; R1273-S1277 PolarHBondContact O-N 3.5Å
1274I88.8Confident89Confident25 Ų2526 Ų2613%0.12812%0.12CC..Hα-helixtrans-61.8-45.6174.3-75.4165.8000111.2V1124 F1125 F1270 Q1271 I1272 H1276 S1277 F1280V1124-I1274 HydrophobicContact CG1-CD1 3.94Å; F1125-I1274 HydrophobicContact CD1-CB 4.49Å; F1125-I1274 HydrophobicContact CD1-CG1 4.24Å; F1125-I1274 HydrophobicContact CD1-CG2 3.79Å; F1125-I1274 HydrophobicContact CE1-CG1 4.14Å; F1125-I1274 HydrophobicContact CE1-CG2 4.35Å; F1270-I1274 WeakPolarHBondContact O-CG1 3.24Å; F1270-I1274 PolarHBondContact O-N 3.44Å; Q1271-I1274 WeakPolarHBondContact O-CB 3.1Å; Q1271-I1274 PolarHBondContact O-N 3.24Å; I1272-I1274 VanDerWaalsContact C-N 3.31Å; I1272-I1274 PolarHBondContact O-N 3.35Å; I1274-H1276 PolarHBondContact O-N 2.96Å; I1274-S1277 WeakPolarHBondContact O-CB 3.28Å; I1274-S1277 PolarHBondContact O-N 3.5Å; I1274-S1277 PolarHBondContact O-OG 2.91Å; I1274-F1280 HydrophobicContact CG2-CD2 4.26Å; I1274-F1280 WeakPolarHBondContact O-CB 3.46Å
1275F87.7Confident88.8Confident1 Ų127.2 Ų27.20%0.00413%0.127CC..Hα-helixtrans-62.3-26.6177.3-68-31.2000113.5Y1093 Y1166 F1175 W1182 Q1271 I1272 S1277 F1280Y1093-F1275 VanDerWaalsContact CE2-O 3.31Å; Y1093-F1275 WeakPolarHBondContact CE2-O 3.32Å; Y1093-F1275 PolarHBondContact OH-O 3.18Å; Y1093-F1275 VanDerWaalsContact OH-O 3.07Å; Y1166-F1275 AromaticContact CE1-CE1 3.91Å; Y1166-F1275 HydrophobicContact CE1-CE1 3.91Å; Y1166-F1275 AromaticContact CE1-CZ 3.87Å; Y1166-F1275 HydrophobicContact CE1-CZ 3.87Å; F1175-F1275 HydrophobicContact CZ-CB 4.04Å; F1175-F1275 HydrophobicContact CZ-CG 4.26Å; W1182-F1275 AromaticContact CD1-CE2 3.61Å; W1182-F1275 AromaticContact CD2-CE2 3.84Å; W1182-F1275 HydrophobicContact CD2-CE2 3.84Å; W1182-F1275 HydrophobicContact CD2-CZ 4.39Å; W1182-F1275 AromaticContact CE2-CE2 3.74Å; W1182-F1275 AromaticContact CE2-CZ 3.83Å; W1182-F1275 AromaticContact CG-CE2 3.78Å; W1182-F1275 HydrophobicContact CG-CE2 3.78Å; W1182-F1275 HydrophobicContact CZ2-CE2 4.42Å; W1182-F1275 HydrophobicContact CZ2-CZ 4.17Å; W1182-F1275 AromaticContact NE1-CE2 3.59Å; W1182-F1275 AromaticContact NE1-CZ 3.67Å; Q1271-F1275 HydrophobicContact CG-CD2 4.43Å; Q1271-F1275 HydrophobicContact CG-CE1 4.44Å; Q1271-F1275 HydrophobicContact CG-CE2 3.78Å; Q1271-F1275 HydrophobicContact CG-CZ 3.79Å; Q1271-F1275 WeakPolarHBondContact O-CD2 3.5Å; Q1271-F1275 WeakPolarHBondContact O-CG 3.49Å; Q1271-F1275 PolarHBondContact O-N 3.19Å; I1272-F1275 PolarHBondContact O-N 3.04Å; F1275-S1277 VanDerWaalsContact C-N 3.34Å; F1275-F1280 AromaticContact CD1-CD1 3.95Å; F1275-F1280 HydrophobicContact CD1-CD1 3.95Å; F1275-F1280 AromaticContact CD1-CD2 4Å; F1275-F1280 HydrophobicContact CD1-CD2 4Å; F1275-F1280 AromaticContact CD1-CE1 3.68Å; F1275-F1280 HydrophobicContact CD1-CE1 3.68Å; F1275-F1280 AromaticContact CD1-CE2 3.73Å; F1275-F1280 HydrophobicContact CD1-CE2 3.73Å; F1275-F1280 HydrophobicContact CD1-CG 4.11Å; F1275-F1280 AromaticContact CD1-CZ 3.56Å; F1275-F1280 HydrophobicContact CD1-CZ 3.56Å; F1275-F1280 HydrophobicContact CE1-CD2 4.29Å; F1275-F1280 HydrophobicContact CE1-CE1 4.09Å; F1275-F1280 AromaticContact CE1-CE2 3.62Å; F1275-F1280 HydrophobicContact CE1-CE2 3.62Å; F1275-F1280 AromaticContact CE1-CZ 3.51Å; F1275-F1280 HydrophobicContact CE1-CZ 3.51Å
1276H83.6Confident88.5Confident43 Ų4327.8 Ų27.820%0.19913%0.13CC..THydrogen-bonded Turntrans-83.60.2173.9-73.1-63.2000114.8I1092 Y1093 I1272 R1273 I1274I1092-H1276 WeakPolarHBondContact CD1-O 3.22Å; I1092-H1276 WeakPolarHBondContact CG1-O 3.06Å; Y1093-H1276 AromaticContact CD2-CE1 3.75Å; Y1093-H1276 AromaticContact CD2-ND1 3.02Å; Y1093-H1276 WeakPolarHBondContact CD2-ND1 3.47Å; Y1093-H1276 AromaticContact CE2-ND1 3.48Å; Y1093-H1276 WeakPolarHBondContact CE2-ND1 3.33Å; Y1093-H1276 AromaticContact CG-CE1 3.96Å; Y1093-H1276 AromaticContact CG-ND1 3.67Å; I1272-H1276 PolarHBondContact O-CD2 3.46Å; I1272-H1276 PolarHBondContact O-N 3.49Å; I1272-H1276 VanDerWaalsContact O-N 3.16Å; R1273-H1276 PolarHBondContact O-N 2.96Å; I1274-H1276 PolarHBondContact O-N 2.96Å
1277S84.8Confident88.2Confident28 Ų2826.8 Ų26.820%0.19612%0.122CC..SBendtrans-96.5155-17679.10000114.4F1125 R1273 I1274 F1275 Y1279 F1280F1125-S1277 WeakPolarHBondContact CE1-OG 3.42Å; R1273-S1277 PolarHBondContact O-N 3.5Å; I1274-S1277 WeakPolarHBondContact O-CB 3.28Å; I1274-S1277 PolarHBondContact O-N 3.5Å; I1274-S1277 PolarHBondContact O-OG 2.91Å; F1275-S1277 VanDerWaalsContact C-N 3.34Å; S1277-Y1279 PolarHBondContact O-N 3.11Å; S1277-F1280 PolarHBondContact O-N 2.98Å
1278W85.5Confident87.9Confident85 Ų8523 Ų2332%0.32211%0.105SC..Hα-helixtrans-68-22.1-179.5-70.998.6000112.8I1092 K1101 N1104 P1105 Q1106I1092-W1278 VanDerWaalsContact CD1-CA 3.48Å; I1092-W1278 HydrophobicContact CD1-CB 4.06Å; I1092-W1278 HydrophobicContact CD1-CD2 3.47Å; I1092-W1278 VanDerWaalsContact CD1-CD2 3.47Å; I1092-W1278 HydrophobicContact CD1-CE3 3.95Å; I1092-W1278 HydrophobicContact CD1-CG 3.5Å; I1092-W1278 HydrophobicContact CD1-CZ2 4.47Å; I1092-W1278 VanDerWaalsContact CD1-N 3.27Å; I1092-W1278 HydrophobicContact CG1-CD2 3.93Å; I1092-W1278 HydrophobicContact CG1-CG 4.2Å; I1092-W1278 HydrophobicContact CG1-CZ2 4.05Å; I1092-W1278 HydrophobicContact CG2-CH2 4.36Å; I1092-W1278 HydrophobicContact CG2-CZ2 4.48Å; K1101-W1278 HydrophobicContact CD-CH2 4.16Å; K1101-W1278 HydrophobicContact CD-CZ3 4.28Å; N1104-W1278 PolarHBondContact ND2-O 3.36Å; P1105-W1278 HydrophobicContact CG-CD2 4.06Å; P1105-W1278 HydrophobicContact CG-CE3 4.16Å; P1105-W1278 HydrophobicContact CG-CG 4.47Å; P1105-W1278 HydrophobicContact CG-CZ3 4.47Å; Q1106-W1278 HydrophobicContact CG-CB 4.46Å
1279Y88.3Confident87.5Confident34 Ų3423 Ų2313%0.13311%0.105CC..Hα-helixtrans-71.1-34.2-179.5-59.7-69.2000112.8F939 Q1106 F1109 K1121 F1125 S1277 Q1281 H1282F939-Y1279 VanDerWaalsContact CZ-OH 3.27Å; F939-Y1279 WeakPolarHBondContact CZ-OH 3.46Å; Q1106-Y1279 HydrophobicContact CB-CE1 4.08Å; Q1106-Y1279 HydrophobicContact CG-CE1 3.99Å; F1109-Y1279 HydrophobicContact CD1-CD1 4.01Å; F1109-Y1279 AromaticContact CE1-CD1 3.8Å; F1109-Y1279 HydrophobicContact CE1-CD1 3.8Å; F1109-Y1279 HydrophobicContact CE1-CG 4.28Å; K1121-Y1279 HydrophobicContact CD-CE1 4.39Å; F1125-Y1279 HydrophobicContact CD2-CD2 4.38Å; F1125-Y1279 AromaticContact CD2-CG 3.99Å; F1125-Y1279 HydrophobicContact CD2-CG 3.99Å; F1125-Y1279 AromaticContact CE1-CD2 3.89Å; F1125-Y1279 HydrophobicContact CE1-CD2 3.89Å; F1125-Y1279 HydrophobicContact CE1-CG 4.24Å; F1125-Y1279 HydrophobicContact CE2-CD1 4.35Å; F1125-Y1279 AromaticContact CE2-CD2 3.58Å; F1125-Y1279 HydrophobicContact CE2-CD2 3.58Å; F1125-Y1279 HydrophobicContact CE2-CE2 4.33Å; F1125-Y1279 AromaticContact CE2-CG 3.6Å; F1125-Y1279 HydrophobicContact CE2-CG 3.6Å; F1125-Y1279 HydrophobicContact CG-CG 4.48Å; F1125-Y1279 AromaticContact CZ-CD2 3.3Å; F1125-Y1279 HydrophobicContact CZ-CD2 3.3Å; F1125-Y1279 HydrophobicContact CZ-CE2 4.11Å; F1125-Y1279 AromaticContact CZ-CG 3.75Å; F1125-Y1279 HydrophobicContact CZ-CG 3.75Å; S1277-Y1279 PolarHBondContact O-N 3.11Å; Y1279-Q1281 PolarHBondContact O-N 3.46Å; Y1279-H1282 PolarHBondContact O-N 3.03Å
1280F88.3Confident87.1Confident1 Ų122.9 Ų22.90%0.00410%0.104CC..Hα-helixtrans-67.3-25.8-177.5-174.1-105.6000112.7Y1166 F1175 I1274 F1275 S1277 H1282 C1283 M1284Y1166-F1280 AromaticContact CD1-CZ 3.79Å; Y1166-F1280 HydrophobicContact CD1-CZ 3.79Å; Y1166-F1280 HydrophobicContact CE1-CZ 4.19Å; Y1166-F1280 HydrophobicContact CG-CZ 4.27Å; F1175-F1280 AromaticContact CE2-CE1 3.92Å; F1175-F1280 HydrophobicContact CE2-CE1 3.92Å; F1175-F1280 HydrophobicContact CZ-CE1 4.33Å; I1274-F1280 HydrophobicContact CG2-CD2 4.26Å; I1274-F1280 WeakPolarHBondContact O-CB 3.46Å; F1275-F1280 AromaticContact CD1-CD1 3.95Å; F1275-F1280 HydrophobicContact CD1-CD1 3.95Å; F1275-F1280 AromaticContact CD1-CD2 4Å; F1275-F1280 HydrophobicContact CD1-CD2 4Å; F1275-F1280 AromaticContact CD1-CE1 3.68Å; F1275-F1280 HydrophobicContact CD1-CE1 3.68Å; F1275-F1280 AromaticContact CD1-CE2 3.73Å; F1275-F1280 HydrophobicContact CD1-CE2 3.73Å; F1275-F1280 HydrophobicContact CD1-CG 4.11Å; F1275-F1280 AromaticContact CD1-CZ 3.56Å; F1275-F1280 HydrophobicContact CD1-CZ 3.56Å; F1275-F1280 HydrophobicContact CE1-CD2 4.29Å; F1275-F1280 HydrophobicContact CE1-CE1 4.09Å; F1275-F1280 AromaticContact CE1-CE2 3.62Å; F1275-F1280 HydrophobicContact CE1-CE2 3.62Å; F1275-F1280 AromaticContact CE1-CZ 3.51Å; F1275-F1280 HydrophobicContact CE1-CZ 3.51Å; S1277-F1280 PolarHBondContact O-N 2.98Å; F1280-H1282 VanDerWaalsContact C-N 3.3Å; F1280-H1282 PolarHBondContact O-N 3.2Å; F1280-C1283 HydrophobicContact CD2-CB 4.3Å; F1280-C1283 HydrophobicContact CE2-CB 4.49Å; F1280-C1283 WeakPolarHBondContact O-CB 3.46Å; F1280-C1283 PolarHBondContact O-N 3.15Å; F1280-M1284 HydrophobicContact CD1-CG 3.97Å; F1280-M1284 HydrophobicContact CD1-SD 3.9Å; F1280-M1284 HydrophobicContact CE1-CG 3.58Å; F1280-M1284 HydrophobicContact CE1-SD 3.66Å; F1280-M1284 HydrophobicContact CZ-CG 4.16Å; F1280-M1284 PolarHBondContact O-N 2.85Å; F1280-M1284 VanDerWaalsContact O-N 3.1Å
1281Q87.1Confident86.6Confident9 Ų921.9 Ų21.94%0.04210%0.104CC..Hα-helixtrans-60.3-38.4176.8-167.6-177.3-3000112.5I1100 K1101 Y1279 C1283 M1284 V1285I1100-Q1281 HydrophobicContact CG2-CG 3.94Å; I1100-Q1281 VanDerWaalsContact CG2-NE2 3.31Å; K1101-Q1281 VanDerWaalsContact N-NE2 3.19Å; K1101-Q1281 PolarHBondContact O-NE2 3.37Å; Y1279-Q1281 PolarHBondContact O-N 3.46Å; Q1281-C1283 VanDerWaalsContact C-N 3.31Å; Q1281-C1283 PolarHBondContact O-N 3.35Å; Q1281-M1284 PolarHBondContact O-N 3.16Å; Q1281-V1285 PolarHBondContact O-N 2.92Å
1282H88.5Confident86.1Confident28 Ų2821.9 Ų21.913%0.1310%0.104CC..Hα-helixtrans-63.7-36.6174.3-74.5-52.8000111.8N1104 Q1106 F1109 I1110 Y1279 F1280 M1284 V1285 E1286N1104-H1282 PolarHBondContact ND2-CD2 3.33Å; N1104-H1282 PolarHBondContact ND2-NE2 2.91Å; Q1106-H1282 PolarHBondContact O-NE2 3.41Å; F1109-H1282 HydrophobicContact CE1-CB 4.26Å; I1110-H1282 HydrophobicContact CD1-CB 4.19Å; Y1279-H1282 PolarHBondContact O-N 3.03Å; F1280-H1282 VanDerWaalsContact C-N 3.3Å; F1280-H1282 PolarHBondContact O-N 3.2Å; H1282-M1284 PolarHBondContact O-N 2.82Å; H1282-V1285 PolarHBondContact O-N 3.48Å; H1282-E1286 PolarHBondContact O-N 3.2Å
1283C88.6Confident85.9Confident0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-65.5-37.4174.7-57.60000112.5I1110 F1280 Q1281 E1286 Y1287I1110-C1283 HydrophobicContact CD1-CB 4.39Å; F1280-C1283 HydrophobicContact CD2-CB 4.3Å; F1280-C1283 HydrophobicContact CE2-CB 4.49Å; F1280-C1283 WeakPolarHBondContact O-CB 3.46Å; F1280-C1283 PolarHBondContact O-N 3.15Å; Q1281-C1283 VanDerWaalsContact C-N 3.31Å; Q1281-C1283 PolarHBondContact O-N 3.35Å; C1283-E1286 WeakPolarHBondContact O-CB 3.22Å; C1283-E1286 PolarHBondContact O-N 3.49Å; C1283-Y1287 HydrophobicContact CB-CE2 4.23Å; C1283-Y1287 WeakPolarHBondContact O-CD2 3.35Å; C1283-Y1287 PolarHBondContact O-N 3.49Å
1284M86Confident85.2Confident1 Ų119.6 Ų19.61%0.00510%0.1CC..Hα-helixtrans-65.6-40177-66.1179.869.500112.4F1098 I1100 M1168 F1175 F1280 Q1281 H1282 E1286 Y1287 R1288F1098-M1284 HydrophobicContact CE1-CE 3.93Å; F1098-M1284 HydrophobicContact CE1-SD 3.76Å; F1098-M1284 HydrophobicContact CZ-SD 4.1Å; I1100-M1284 HydrophobicContact CD1-CE 4.37Å; M1168-M1284 HydrophobicContact CG-CE 3.68Å; M1168-M1284 HydrophobicContact SD-CE 3.42Å; M1168-M1284 WeakPolarHBondContact SD-CE 2.97Å; F1175-M1284 HydrophobicContact CD2-CE 3.93Å; F1175-M1284 HydrophobicContact CD2-SD 4.36Å; F1175-M1284 HydrophobicContact CE2-CE 4.43Å; F1175-M1284 HydrophobicContact CE2-SD 4.34Å; F1280-M1284 HydrophobicContact CD1-CG 3.97Å; F1280-M1284 HydrophobicContact CD1-SD 3.9Å; F1280-M1284 HydrophobicContact CE1-CG 3.58Å; F1280-M1284 HydrophobicContact CE1-SD 3.66Å; F1280-M1284 HydrophobicContact CZ-CG 4.16Å; F1280-M1284 PolarHBondContact O-N 2.85Å; F1280-M1284 VanDerWaalsContact O-N 3.1Å; Q1281-M1284 PolarHBondContact O-N 3.16Å; H1282-M1284 PolarHBondContact O-N 2.82Å; M1284-E1286 VanDerWaalsContact C-N 3.34Å; M1284-Y1287 PolarHBondContact O-N 3.17Å; M1284-R1288 WeakPolarHBondContact O-CG 3.21Å; M1284-R1288 PolarHBondContact O-N 3.41Å; M1284-R1288 VanDerWaalsContact O-N 3.15Å
1285V86.7Confident84.7Confident26 Ų2621.8 Ų21.816%0.15811%0.112CC..Hα-helixtrans-65-39.7174.5176.60000110.7I1100 Q1281 H1282 R1288 S1289 K1505 L1512I1100-V1285 HydrophobicContact CG2-CG2 4.44Å; Q1281-V1285 PolarHBondContact O-N 2.92Å; H1282-V1285 PolarHBondContact O-N 3.48Å; V1285-R1288 PolarHBondContact O-N 3Å; V1285-S1289 PolarHBondContact O-N 3.35Å; V1285-K1505 HydrophobicContact CG1-CG 4.26Å; V1285-L1512 HydrophobicContact CG1-CB 4.45Å; V1285-L1512 HydrophobicContact CG1-CD1 4.29Å
1286E87.9Confident84.5Confident13 Ų1322.5 Ų22.56%0.06112%0.115CC..Hα-helixtrans-57.7-52.7173.1-178.662.9-160.900111.2I1110 H1282 C1283 M1284 R1288 S1289 E1290 K1501 K1505I1110-E1286 HydrophobicContact CD1-CB 4.21Å; I1110-E1286 HydrophobicContact CG2-CG 4.44Å; H1282-E1286 PolarHBondContact O-N 3.2Å; C1283-E1286 WeakPolarHBondContact O-CB 3.22Å; C1283-E1286 PolarHBondContact O-N 3.49Å; M1284-E1286 VanDerWaalsContact C-N 3.34Å; E1286-R1288 VanDerWaalsContact C-N 3.28Å; E1286-R1288 PolarHBondContact O-N 3.34Å; E1286-S1289 WeakPolarHBondContact O-CA 3.15Å; E1286-S1289 WeakPolarHBondContact O-CB 3.17Å; E1286-S1289 PolarHBondContact O-N 3.31Å; E1286-S1289 PolarHBondContact O-OG 3.28Å; E1286-E1290 HydrophobicContact CG-CG 4.47Å; E1286-E1290 VanDerWaalsContact O-CG 3.23Å; E1286-E1290 WeakPolarHBondContact O-CG 3.14Å; E1286-E1290 PolarHBondContact O-N 2.91Å; E1286-K1501 IonicContact OE1-NZ 3.64Å; E1286-K1501 PolarHBondContact OE1-NZ 2.99Å; E1286-K1505 WeakPolarHBondContact OE2-CE 3.46Å; E1286-K1505 IonicContact OE2-NZ 3.63Å; E1286-K1505 PolarHBondContact OE2-NZ 3.42Å
1287Y85.4Confident84.4Confident3 Ų320.5 Ų20.51%0.01211%0.106CC..Hα-helixtrans-58.7-36.7179.7-61.9-45000113H1126 H1129 N1163 Y1166 C1283 M1284 E1290 V1291H1126-Y1287 AromaticContact CE1-CE1 3.39Å; H1126-Y1287 WeakPolarHBondContact CE1-CE1 3.43Å; H1126-Y1287 AromaticContact CE1-CZ 3.83Å; H1126-Y1287 AromaticContact ND1-CE1 3.82Å; H1126-Y1287 AromaticContact ND1-CZ 3.77Å; H1126-Y1287 PolarHBondContact ND1-OH 3.16Å; H1126-Y1287 PolarHBondContact O-OH 3.06Å; H1129-Y1287 PolarHBondContact CE1-OH 2.67Å; H1129-Y1287 VanDerWaalsContact CE1-OH 3.26Å; N1163-Y1287 HydrophobicContact CB-CD1 4.27Å; Y1166-Y1287 HydrophobicContact CD2-CD2 4.26Å; Y1166-Y1287 AromaticContact CD2-CE2 3.93Å; Y1166-Y1287 HydrophobicContact CD2-CE2 3.93Å; Y1166-Y1287 HydrophobicContact CG-CD2 4.34Å; Y1166-Y1287 HydrophobicContact CG-CE2 4.23Å; C1283-Y1287 HydrophobicContact CB-CE2 4.23Å; C1283-Y1287 WeakPolarHBondContact O-CD2 3.35Å; C1283-Y1287 PolarHBondContact O-N 3.49Å; M1284-Y1287 PolarHBondContact O-N 3.17Å; Y1287-E1290 PolarHBondContact O-N 3.46Å; Y1287-V1291 WeakPolarHBondContact O-CG2 3.12Å; Y1287-V1291 PolarHBondContact O-N 3.21Å
1288R85.2Confident84Confident3 Ų319.1 Ų19.11%0.01110%0.096CC..Hα-helixtrans-65.2-40.6173.6-70.2175.278.586.1-3.1111.7V1167 M1168 M1284 V1285 E1286 V1291 I1292 L1512 L1519V1167-R1288 HydrophobicContact CG1-CG 4.41Å; M1168-R1288 PolarHBondContact O-NH1 3.19Å; M1284-R1288 WeakPolarHBondContact O-CG 3.21Å; M1284-R1288 PolarHBondContact O-N 3.41Å; M1284-R1288 VanDerWaalsContact O-N 3.15Å; V1285-R1288 PolarHBondContact O-N 3Å; E1286-R1288 VanDerWaalsContact C-N 3.28Å; E1286-R1288 PolarHBondContact O-N 3.34Å; R1288-V1291 PolarHBondContact O-N 3.15Å; R1288-I1292 WeakPolarHBondContact O-CG1 3.26Å; R1288-I1292 PolarHBondContact O-N 3.41Å; R1288-L1512 HydrophobicContact CB-CD2 4.42Å; R1288-L1512 WeakPolarHBondContact CD-O 3.5Å; R1288-L1512 PolarHBondContact NE-O 2.65Å; R1288-L1519 VanDerWaalsContact CZ-CD1 3.45Å
1289S85.3Confident83.7Confident0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-65.1-37177.478.90000112.8V1285 E1286 V1291 I1292 L1293V1285-S1289 PolarHBondContact O-N 3.35Å; E1286-S1289 WeakPolarHBondContact O-CA 3.15Å; E1286-S1289 WeakPolarHBondContact O-CB 3.17Å; E1286-S1289 PolarHBondContact O-N 3.31Å; E1286-S1289 PolarHBondContact O-OG 3.28Å; S1289-V1291 PolarHBondContact O-N 3.04Å; S1289-I1292 PolarHBondContact O-N 3.06Å; S1289-L1293 PolarHBondContact O-N 2.98Å; S1289-L1293 VanDerWaalsContact O-N 3.16Å
1290E83.3Confident83.5Confident15 Ų1515.2 Ų15.27%0.079%0.085CC..Hα-helixtrans-63.9-41.3177.8-46.9-152.8113.800112E1286 Y1287 I1292 L1293 A1294 K1501E1286-E1290 HydrophobicContact CG-CG 4.47Å; E1286-E1290 VanDerWaalsContact O-CG 3.23Å; E1286-E1290 WeakPolarHBondContact O-CG 3.14Å; E1286-E1290 PolarHBondContact O-N 2.91Å; Y1287-E1290 PolarHBondContact O-N 3.46Å; E1290-I1292 VanDerWaalsContact C-N 3.35Å; E1290-I1292 PolarHBondContact O-N 3.46Å; E1290-L1293 PolarHBondContact O-N 2.63Å; E1290-A1294 PolarHBondContact O-N 2.88Å; E1290-A1294 VanDerWaalsContact O-N 3.12Å; E1290-K1501 IonicContact OE1-NZ 3.42Å; E1290-K1501 PolarHBondContact OE1-NZ 3.04Å
1291V79.2Confident83.1Confident58 Ų5818.7 Ų18.735%0.35210%0.1SC..Hα-helixtrans-67-36.9179.9174.50000111.6V1167 Y1287 R1288 S1289 L1519V1167-V1291 HydrophobicContact CG2-CG2 4.05Å; Y1287-V1291 WeakPolarHBondContact O-CG2 3.12Å; Y1287-V1291 PolarHBondContact O-N 3.21Å; R1288-V1291 PolarHBondContact O-N 3.15Å; S1289-V1291 PolarHBondContact O-N 3.04Å; V1291-L1519 HydrophobicContact CB-CD2 3.84Å; V1291-L1519 HydrophobicContact CG1-CD2 3.68Å
1292I81.8Confident82.6Confident4 Ų419.8 Ų19.82%0.02111%0.107CC..Hα-helixtrans-66.7-45.3178.3-68.1166.7000110.7R1288 S1289 E1290 A1294 L1504 L1512 I1522 R1523R1288-I1292 WeakPolarHBondContact O-CG1 3.26Å; R1288-I1292 PolarHBondContact O-N 3.41Å; S1289-I1292 PolarHBondContact O-N 3.06Å; E1290-I1292 VanDerWaalsContact C-N 3.35Å; E1290-I1292 PolarHBondContact O-N 3.46Å; I1292-A1294 PolarHBondContact O-N 3.08Å; I1292-L1504 HydrophobicContact CB-CD2 4.1Å; I1292-L1504 HydrophobicContact CD1-CD2 4.31Å; I1292-L1504 HydrophobicContact CG2-CD2 3.87Å; I1292-L1512 HydrophobicContact CD1-CD2 3.5Å; I1292-I1522 HydrophobicContact CD1-CG2 3.92Å; I1292-R1523 PolarHBondContact O-NH1 2.96Å
1293L82.9Confident82.3Confident9 Ų919 Ų195%0.04710%0.103CC..Hα-helixtrans-87.74.5-175.3-75.3165.6000114.9S1289 E1290 N1295 R1296 E1500 K1501 L1504S1289-L1293 PolarHBondContact O-N 2.98Å; S1289-L1293 VanDerWaalsContact O-N 3.16Å; E1290-L1293 PolarHBondContact O-N 2.63Å; L1293-N1295 PolarHBondContact O-N 3.42Å; L1293-R1296 WeakPolarHBondContact O-CB 3.46Å; L1293-R1296 PolarHBondContact O-N 3.02Å; L1293-E1500 HydrophobicContact CD1-CB 4.39Å; L1293-K1501 HydrophobicContact CD1-CB 4.12Å; L1293-K1501 HydrophobicContact CD1-CG 3.45Å; L1293-K1501 VanDerWaalsContact CD1-CG 3.45Å; L1293-L1504 HydrophobicContact CD1-CB 4.47Å; L1293-L1504 HydrophobicContact CD1-CD2 3.93Å; L1293-L1504 HydrophobicContact CG-CD2 4.12Å
1294A74.7Confident81.9Confident25 Ų2519.1 Ų19.121%0.20710%0.103CC..Hα-helixtrans-47-54.5-172.200000113.3E1290 I1292 R1296 L1688 G1689E1290-A1294 PolarHBondContact O-N 2.88Å; E1290-A1294 VanDerWaalsContact O-N 3.12Å; I1292-A1294 PolarHBondContact O-N 3.08Å; A1294-R1296 PolarHBondContact O-N 3.32Å; A1294-L1688 CarbonylContact O-C 3.34Å; A1294-G1689 WeakPolarHBondContact O-CA 3.24Å; A1294-G1689 PolarHBondContact O-N 2.98Å
1295N77.5Confident81.3Confident71 Ų7121.5 Ų21.538%0.3812%0.116SC..Hα-helixtrans-61.3-19.7-174-166.526.4000114.9L1293 A1298 V1299L1293-N1295 PolarHBondContact O-N 3.42Å; N1295-A1298 PolarHBondContact O-N 3.38Å; N1295-V1299 PolarHBondContact O-N 3.1Å
1296R83.1Confident80.8Confident16 Ų1622.9 Ų22.96%0.0612%0.121CC..Hα-helixtrans-72.4-35.1-167.8-175.148.8175169.45113.5L1293 A1294 A1298 V1299 L1300 L1497 E1500 V1534L1293-R1296 WeakPolarHBondContact O-CB 3.46Å; L1293-R1296 PolarHBondContact O-N 3.02Å; A1294-R1296 PolarHBondContact O-N 3.32Å; R1296-A1298 VanDerWaalsContact C-N 3.31Å; R1296-A1298 PolarHBondContact O-N 3.25Å; R1296-V1299 PolarHBondContact O-N 3.34Å; R1296-L1300 HydrophobicContact CG-CD1 4.34Å; R1296-L1300 WeakPolarHBondContact O-CG 3.35Å; R1296-L1300 PolarHBondContact O-N 3.35Å; R1296-L1497 HydrophobicContact CB-CD2 3.96Å; R1296-L1497 HydrophobicContact CG-CD2 4.03Å; R1296-E1500 WeakPolarHBondContact CG-OE2 3.48Å; R1296-E1500 IonicContact CZ-OE1 3.57Å; R1296-E1500 IonicContact NE-OE1 2.76Å; R1296-E1500 PolarHBondContact NE-OE1 3.45Å; R1296-E1500 VanDerWaalsContact NE-OE1 3.13Å; R1296-E1500 IonicContact NE-OE2 3.98Å; R1296-E1500 PolarHBondContact NE-OE2 3.46Å; R1296-E1500 IonicContact NH2-OE1 3.84Å; R1296-E1500 PolarHBondContact NH2-OE1 3.46Å; R1296-V1534 PolarHBondContact NH2-O 2.98Å
1297G82.3Confident80.4Confident1 Ų124.2 Ų24.21%0.0113%0.126CC..Hα-helixtrans-65.8-32.6177.800000113.2K1301 L1688G1297-K1301 PolarHBondContact O-N 3.47Å; G1297-L1688 CarbonylContact C-O 3.5Å; G1297-L1688 WeakPolarHBondContact CA-O 3.27Å; G1297-L1688 PolarHBondContact N-O 3.45Å
1298A77.2Confident79.8Confident0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-66.7-41.6174.800000112N1295 R1296 K1301 N1302 L1688 L1690 A1694N1295-A1298 PolarHBondContact O-N 3.38Å; R1296-A1298 VanDerWaalsContact C-N 3.31Å; R1296-A1298 PolarHBondContact O-N 3.25Å; A1298-K1301 PolarHBondContact O-N 3.42Å; A1298-N1302 PolarHBondContact O-N 2.93Å; A1298-L1688 PolarHBondContact N-O 3.19Å; A1298-L1690 HydrophobicContact CB-CD2 3.8Å; A1298-L1690 HydrophobicContact CB-CG 4.49Å; A1298-A1694 HydrophobicContact CB-CB 4.29Å
1299V79.1Confident79.2Confident35 Ų3526.2 Ų26.221%0.21214%0.136CC..Hα-helixtrans-62.4-47.8175.6175.20000110.8N1295 R1296 K1301 N1302 Q1303 T1699N1295-V1299 PolarHBondContact O-N 3.1Å; R1296-V1299 PolarHBondContact O-N 3.34Å; V1299-K1301 VanDerWaalsContact C-N 3.32Å; V1299-K1301 PolarHBondContact O-N 2.88Å; V1299-N1302 PolarHBondContact O-N 3.3Å; V1299-Q1303 WeakPolarHBondContact O-CG 3.48Å; V1299-Q1303 PolarHBondContact O-N 2.93Å; V1299-T1699 HydrophobicContact CG1-CG2 4.1Å
1300L84.1Confident78.7Confident1 Ų132.9 Ų32.91%0.00517%0.165CC..Hα-helixtrans-61.5-38.7178.9-68.8169.7000112.4R1296 L1304 V1493 V1496 L1497 V1534R1296-L1300 HydrophobicContact CG-CD1 4.34Å; R1296-L1300 WeakPolarHBondContact O-CG 3.35Å; R1296-L1300 PolarHBondContact O-N 3.35Å; L1300-L1304 PolarHBondContact O-N 3.34Å; L1300-V1493 HydrophobicContact CB-CG1 4.43Å; L1300-V1493 HydrophobicContact CB-CG2 4.08Å; L1300-V1493 HydrophobicContact CD1-CG1 4.36Å; L1300-V1496 HydrophobicContact CD1-CB 3.93Å; L1300-V1496 HydrophobicContact CD1-CG1 3.63Å; L1300-V1496 HydrophobicContact CD2-CG1 4.22Å; L1300-L1497 HydrophobicContact CD1-CG 4.47Å; L1300-V1534 HydrophobicContact CD2-CB 3.8Å; L1300-V1534 HydrophobicContact CD2-CG1 4.17Å; L1300-V1534 HydrophobicContact CD2-CG2 4Å
1301K80.2Confident78.2Confident75 Ų7534.7 Ų34.733%0.32617%0.173SC..Hα-helixtrans-67.7-42.7177.2-171.5172.7-176.6173.90111.9G1297 A1298 V1299 L1304 I1305 L1690G1297-K1301 PolarHBondContact O-N 3.47Å; A1298-K1301 PolarHBondContact O-N 3.42Å; V1299-K1301 VanDerWaalsContact C-N 3.32Å; V1299-K1301 PolarHBondContact O-N 2.88Å; K1301-L1304 PolarHBondContact O-N 2.79Å; K1301-I1305 HydrophobicContact CG-CD1 4.04Å; K1301-I1305 WeakPolarHBondContact O-CG1 3.48Å; K1301-I1305 PolarHBondContact O-N 3.46Å; K1301-L1690 HydrophobicContact CD-CD1 4.48Å; K1301-L1690 HydrophobicContact CD-CD2 4.34Å
1302N76.1Confident77.7Confident32 Ų3232.6 Ų32.617%0.17116%0.16CC..Hα-helixtrans-63.8-41.9177.1-72.1-5.6000111.7A1298 V1299 L1304 I1305 E1306 T1699A1298-N1302 PolarHBondContact O-N 2.93Å; V1299-N1302 PolarHBondContact O-N 3.3Å; N1302-L1304 VanDerWaalsContact C-N 3.27Å; N1302-L1304 PolarHBondContact O-N 2.01Å; N1302-I1305 PolarHBondContact O-N 3.4Å; N1302-E1306 WeakPolarHBondContact O-CB 3.23Å; N1302-E1306 PolarHBondContact O-N 3.47Å; N1302-T1699 HydrophobicContact CB-CG2 4.28Å
1303Q81.3Confident77.3Confident10 Ų1035.6 Ų35.65%0.04718%0.176CC..Hα-helixtrans-57.5-39.1174.5-76.7177.1-27.600112.5V1299 K1307 T1699 F1700V1299-Q1303 WeakPolarHBondContact O-CG 3.48Å; V1299-Q1303 PolarHBondContact O-N 2.93Å; Q1303-K1307 PolarHBondContact O-N 3.4Å; Q1303-T1699 HydrophobicContact CG-CG2 4.18Å; Q1303-F1700 HydrophobicContact CB-CE1 4.26Å; Q1303-F1700 HydrophobicContact CB-CE2 4.04Å; Q1303-F1700 HydrophobicContact CB-CZ 3.58Å; Q1303-F1700 HydrophobicContact CG-CE1 3.98Å; Q1303-F1700 HydrophobicContact CG-CE2 4.16Å; Q1303-F1700 HydrophobicContact CG-CZ 3.73Å; Q1303-F1700 WeakPolarHBondContact O-CE2 3.48Å
1304L80Confident77Confident3 Ų340.5 Ų40.52%0.01620%0.198CC..Hα-helixtrans-70.7-43.9177.9-168.166.1000112.2L1300 K1301 N1302 E1306 K1307 E1308 E1489 V1540L1300-L1304 PolarHBondContact O-N 3.34Å; K1301-L1304 PolarHBondContact O-N 2.79Å; N1302-L1304 VanDerWaalsContact C-N 3.27Å; N1302-L1304 PolarHBondContact O-N 2.01Å; L1304-E1306 VanDerWaalsContact C-N 3.34Å; L1304-E1306 PolarHBondContact O-N 3.11Å; L1304-K1307 PolarHBondContact O-N 2.83Å; L1304-E1308 PolarHBondContact O-N 3.12Å; L1304-E1489 HydrophobicContact CD2-CB 3.7Å; L1304-E1489 HydrophobicContact CD2-CG 3.6Å; L1304-V1540 HydrophobicContact CD1-CG1 4.17Å
1305I74.5Confident76.7Confident52 Ų5243 Ų4327%0.26721%0.206SC..Hα-helixtrans-62.6-41.2177.5-67.4167.1000111.2K1301 N1302 E1308 M1309K1301-I1305 HydrophobicContact CG-CD1 4.04Å; K1301-I1305 WeakPolarHBondContact O-CG1 3.48Å; K1301-I1305 PolarHBondContact O-N 3.46Å; N1302-I1305 PolarHBondContact O-N 3.4Å; I1305-E1308 PolarHBondContact O-N 2.83Å; I1305-M1309 WeakPolarHBondContact O-CB 3.39Å; I1305-M1309 PolarHBondContact O-N 3.07Å
1306E75.3Confident76.2Confident55 Ų5541.1 Ų41.126%0.25720%0.195SC..Hα-helixtrans-64.2-40.8178.3-171.1177.5171.900111.7N1302 L1304 K1310 T1699 F1700N1302-E1306 WeakPolarHBondContact O-CB 3.23Å; N1302-E1306 PolarHBondContact O-N 3.47Å; L1304-E1306 VanDerWaalsContact C-N 3.34Å; L1304-E1306 PolarHBondContact O-N 3.11Å; E1306-K1310 PolarHBondContact O-N 3.42Å; E1306-T1699 PolarHBondContact OE2-OG1 3.19Å; E1306-F1700 HydrophobicContact CB-CD2 4.46Å; E1306-F1700 HydrophobicContact CB-CE2 4.18Å; E1306-F1700 VanDerWaalsContact CD-CD2 3.44Å; E1306-F1700 HydrophobicContact CG-CD2 4.13Å; E1306-F1700 HydrophobicContact CG-CE2 4.32Å; E1306-F1700 VanDerWaalsContact OE2-CD2 3.3Å; E1306-F1700 WeakPolarHBondContact OE2-CD2 3.01Å
1307K79Confident75.8Confident40 Ų4047.6 Ų47.617%0.17422%0.223CC..Hα-helixtrans-61.1-52.4173.3179.8-175.8171.7-175.50111.8Q1303 L1304 M1309 K1310 E1311 E1544Q1303-K1307 PolarHBondContact O-N 3.4Å; L1304-K1307 PolarHBondContact O-N 2.83Å; K1307-M1309 VanDerWaalsContact C-N 3.31Å; K1307-M1309 PolarHBondContact O-N 2.87Å; K1307-K1310 PolarHBondContact O-N 3.34Å; K1307-E1311 WeakPolarHBondContact CE-OE1 3.37Å; K1307-E1311 PolarHBondContact O-N 3.41Å; K1307-E1544 IonicContact NZ-OE2 2.79Å
1308E74Confident75.5Confident22 Ų2250.3 Ų50.310%0.10325%0.246CC..Hα-helixtrans-61-38.7-177.6-73.7-178.4176.300112.5L1304 I1305 E1311 Q1312 R1488L1304-E1308 PolarHBondContact O-N 3.12Å; I1305-E1308 PolarHBondContact O-N 2.83Å; E1308-E1311 PolarHBondContact O-N 3.33Å; E1308-Q1312 WeakPolarHBondContact O-CG 3.44Å; E1308-Q1312 PolarHBondContact O-N 3.45Å; E1308-R1488 IonicContact OE1-CZ 3.77Å; E1308-R1488 IonicContact OE1-NH2 3.72Å; E1308-R1488 PolarHBondContact OE1-NH2 2.8Å
1309M71.5Confident74.9Confident27 Ų2752.2 Ų52.213%0.13325%0.254CS..Hα-helixtrans-64.1-43.4177.9-174.8176.1-59.300112.8I1305 K1307 E1311 Q1312 N1313 F1783I1305-M1309 WeakPolarHBondContact O-CB 3.39Å; I1305-M1309 PolarHBondContact O-N 3.07Å; K1307-M1309 VanDerWaalsContact C-N 3.31Å; K1307-M1309 PolarHBondContact O-N 2.87Å; M1309-E1311 VanDerWaalsContact C-N 3.31Å; M1309-Q1312 PolarHBondContact O-N 2.85Å; M1309-N1313 WeakPolarHBondContact O-CB 3.33Å; M1309-N1313 PolarHBondContact O-N 3.36Å; M1309-F1783 VanDerWaalsContact CE-CA 3.44Å; M1309-F1783 HydrophobicContact CE-CB 3.3Å; M1309-F1783 HydrophobicContact CE-CD1 3.48Å; M1309-F1783 VanDerWaalsContact CE-CD1 3.48Å; M1309-F1783 HydrophobicContact CE-CG 3.81Å; M1309-F1783 HydrophobicContact SD-CB 4.32Å; M1309-F1783 HydrophobicContact SD-CD1 3.7Å; M1309-F1783 HydrophobicContact SD-CG 4.49Å
1310K75.9Confident74.5Confident140 Ų14055.5 Ų55.561%0.60927%0.266SS*.Hα-helixtrans-61.1-45.6179.6-171.7177.3177.4-1780110.1E1306 K1307 Q1312 N1313 E1314E1306-K1310 PolarHBondContact O-N 3.42Å; K1307-K1310 PolarHBondContact O-N 3.34Å; K1310-Q1312 PolarHBondContact O-N 3.43Å; K1310-N1313 PolarHBondContact O-N 3.3Å; K1310-E1314 VanDerWaalsContact CE-OE1 3.28Å; K1310-E1314 WeakPolarHBondContact CE-OE1 3.22Å; K1310-E1314 WeakPolarHBondContact CG-OE1 3.41Å; K1310-E1314 WeakPolarHBondContact O-CB 3.49Å; K1310-E1314 VanDerWaalsContact O-CG 3.31Å; K1310-E1314 WeakPolarHBondContact O-CG 3.36Å; K1310-E1314 PolarHBondContact O-N 3.12Å
1311E72.1Confident74.2Confident52 Ų5260.2 Ų60.224%0.24329%0.291CS..Hα-helixtrans-61.2-43.8176.4-69.1174-17500112.4K1307 E1308 M1309 Q1315 V1384K1307-E1311 WeakPolarHBondContact CE-OE1 3.37Å; K1307-E1311 PolarHBondContact O-N 3.41Å; E1308-E1311 PolarHBondContact O-N 3.33Å; M1309-E1311 VanDerWaalsContact C-N 3.31Å; E1311-Q1315 VanDerWaalsContact O-CG 3.3Å; E1311-Q1315 WeakPolarHBondContact O-CG 3.41Å; E1311-Q1315 PolarHBondContact O-N 3.27Å; E1311-V1384 VanDerWaalsContact OE2-CG2 3.31Å; E1311-V1384 WeakPolarHBondContact OE2-CG2 3.34Å
1312Q69.1Low73.8Confident14 Ų1459.2 Ų59.27%0.06529%0.289CS..Hα-helixtrans-64.4-44.6178-77-174.2-14.900113.2E1308 M1309 K1310 E1314 Q1315 Q1316 P1382 Y1785E1308-Q1312 WeakPolarHBondContact O-CG 3.44Å; E1308-Q1312 PolarHBondContact O-N 3.45Å; M1309-Q1312 PolarHBondContact O-N 2.85Å; K1310-Q1312 PolarHBondContact O-N 3.43Å; Q1312-E1314 VanDerWaalsContact C-N 3.35Å; Q1312-Q1315 PolarHBondContact O-N 3.45Å; Q1312-Q1316 PolarHBondContact O-N 3.31Å; Q1312-P1382 HydrophobicContact CG-CG 3.78Å; Q1312-Y1785 PolarHBondContact NE2-OH 2.92Å
1313N73.3Confident73.5Confident67 Ų6759 Ų5936%0.35829%0.287SS..Hα-helixtrans-65.6-39.1179.7-77.6-24.1000111.8M1309 K1310 K1317M1309-N1313 WeakPolarHBondContact O-CB 3.33Å; M1309-N1313 PolarHBondContact O-N 3.36Å; K1310-N1313 PolarHBondContact O-N 3.3Å; N1313-K1317 WeakPolarHBondContact O-CG 3.42Å; N1313-K1317 PolarHBondContact O-N 2.8Å; N1313-K1317 VanDerWaalsContact O-N 3.11Å
1314E76.4Confident73.3Confident112 Ų11265.6 Ų65.652%0.52331%0.312SS..Hα-helixtrans-63.3-43.5174.2-74.1172.9-173.500111.3K1310 Q1312 K1317 A1318K1310-E1314 VanDerWaalsContact CE-OE1 3.28Å; K1310-E1314 WeakPolarHBondContact CE-OE1 3.22Å; K1310-E1314 WeakPolarHBondContact CG-OE1 3.41Å; K1310-E1314 WeakPolarHBondContact O-CB 3.49Å; K1310-E1314 VanDerWaalsContact O-CG 3.31Å; K1310-E1314 WeakPolarHBondContact O-CG 3.36Å; K1310-E1314 PolarHBondContact O-N 3.12Å; Q1312-E1314 VanDerWaalsContact C-N 3.35Å; E1314-K1317 PolarHBondContact O-N 2.88Å; E1314-A1318 VanDerWaalsContact O-CB 3.32Å; E1314-A1318 WeakPolarHBondContact O-CB 3.4Å; E1314-A1318 PolarHBondContact O-N 3.37Å
1315Q68.5Low73.3Confident78 Ų7874.4 Ų74.436%0.36435%0.345SS..Hα-helixtrans-66.6-40.7177.6-74.11805.200113.4E1311 Q1312 A1318 K1319E1311-Q1315 VanDerWaalsContact O-CG 3.3Å; E1311-Q1315 WeakPolarHBondContact O-CG 3.41Å; E1311-Q1315 PolarHBondContact O-N 3.27Å; Q1312-Q1315 PolarHBondContact O-N 3.45Å; Q1315-A1318 PolarHBondContact O-N 2.96Å; Q1315-K1319 WeakPolarHBondContact O-CB 3.24Å; Q1315-K1319 WeakPolarHBondContact O-CG 3.42Å; Q1315-K1319 PolarHBondContact O-N 3.32Å
1316Q66.3Low73.1Confident32 Ų3275 Ų7515%0.1534%0.344CS..Hα-helixtrans-64.5-45176.8-175.8-179.8-12.900111.2Q1312 A1318 K1319 F1320 E1915Q1312-Q1316 PolarHBondContact O-N 3.31Å; Q1316-A1318 VanDerWaalsContact C-N 3.34Å; Q1316-A1318 PolarHBondContact O-N 3.15Å; Q1316-K1319 PolarHBondContact O-N 3.44Å; Q1316-F1320 WeakPolarHBondContact O-CB 2.83Å; Q1316-F1320 PolarHBondContact O-N 3.29Å; Q1316-E1915 PolarHBondContact NE2-OE2 3.35Å
1317K75.2Confident73Confident151 Ų15173 Ų7366%0.65734%0.336SS*.Hα-helixtrans-60.4-43.5174.7-75-179.9179.8-178.30111.6N1313 E1314 F1320 N1321N1313-K1317 WeakPolarHBondContact O-CG 3.42Å; N1313-K1317 PolarHBondContact O-N 2.8Å; N1313-K1317 VanDerWaalsContact O-N 3.11Å; E1314-K1317 PolarHBondContact O-N 2.88Å; K1317-F1320 PolarHBondContact O-N 3.38Å; K1317-N1321 WeakPolarHBondContact O-CB 3.33Å; K1317-N1321 VanDerWaalsContact O-CG 3.26Å; K1317-N1321 PolarHBondContact O-N 2.95Å; K1317-N1321 PolarHBondContact O-ND2 3.13Å
1318A75.7Confident73.1Confident58 Ų5875.9 Ų75.948%0.47935%0.35SS..Hα-helixtrans-61.2-44.8176.900000112.1E1314 Q1315 Q1316 N1321 D1322E1314-A1318 VanDerWaalsContact O-CB 3.32Å; E1314-A1318 WeakPolarHBondContact O-CB 3.4Å; E1314-A1318 PolarHBondContact O-N 3.37Å; Q1315-A1318 PolarHBondContact O-N 2.96Å; Q1316-A1318 VanDerWaalsContact C-N 3.34Å; Q1316-A1318 PolarHBondContact O-N 3.15Å; A1318-N1321 PolarHBondContact O-N 3.12Å; A1318-D1322 WeakPolarHBondContact O-CB 3.33Å; A1318-D1322 PolarHBondContact O-N 3.4Å
1319K65.6Low73.3Confident41 Ų4176.3 Ų76.318%0.17836%0.357CS..Hα-helixtrans-65-43.6176.6-76.2-179.8175.8-177.90112.2Q1315 Q1316 N1321 D1322 I1323 V1377 D1378Q1315-K1319 WeakPolarHBondContact O-CB 3.24Å; Q1315-K1319 WeakPolarHBondContact O-CG 3.42Å; Q1315-K1319 PolarHBondContact O-N 3.32Å; Q1316-K1319 PolarHBondContact O-N 3.44Å; K1319-N1321 VanDerWaalsContact C-N 3.32Å; K1319-N1321 PolarHBondContact O-N 2.62Å; K1319-D1322 WeakPolarHBondContact O-CB 3.04Å; K1319-D1322 PolarHBondContact O-N 3.4Å; K1319-I1323 VanDerWaalsContact O-CD1 3.32Å; K1319-I1323 WeakPolarHBondContact O-CD1 3.41Å; K1319-I1323 WeakPolarHBondContact O-CG1 3.46Å; K1319-I1323 PolarHBondContact O-N 2.91Å; K1319-V1377 HydrophobicContact CD-CG1 3.86Å; K1319-V1377 HydrophobicContact CG-CG1 4.47Å; K1319-D1378 PolarHBondContact NZ-O 3.44Å
1320F70.1Confident73.4Confident103 Ų10375.8 Ų75.845%0.45236%0.355SS..Hα-helixtrans-60.2-44177-173.5-95.6000111.5Q1316 K1317 D1322 I1323 R1324 L1916Q1316-F1320 WeakPolarHBondContact O-CB 2.83Å; Q1316-F1320 PolarHBondContact O-N 3.29Å; K1317-F1320 PolarHBondContact O-N 3.38Å; F1320-D1322 VanDerWaalsContact C-N 3.33Å; F1320-D1322 PolarHBondContact O-N 2.9Å; F1320-I1323 PolarHBondContact O-N 2.94Å; F1320-R1324 WeakPolarHBondContact O-CB 3.38Å; F1320-R1324 PolarHBondContact O-N 3.42Å; F1320-L1916 HydrophobicContact CD2-CD1 4.42Å
1321N77.9Confident73.6Confident101 Ų10175.7 Ų75.754%0.5435%0.35SS..Hα-helixtrans-63.7-38.6175.2-72.4-15000112.1K1317 A1318 K1319 R1325K1317-N1321 WeakPolarHBondContact O-CB 3.33Å; K1317-N1321 VanDerWaalsContact O-CG 3.26Å; K1317-N1321 PolarHBondContact O-N 2.95Å; K1317-N1321 PolarHBondContact O-ND2 3.13Å; A1318-N1321 PolarHBondContact O-N 3.12Å; K1319-N1321 VanDerWaalsContact C-N 3.32Å; K1319-N1321 PolarHBondContact O-N 2.62Å; N1321-R1325 VanDerWaalsContact O-CB 3.25Å; N1321-R1325 WeakPolarHBondContact O-CB 3.32Å; N1321-R1325 PolarHBondContact O-N 3.06Å
1322D72.5Confident74.1Confident53 Ų5378.3 Ų78.328%0.28336%0.363SS..Hα-helixtrans-65.6-46175.7-179.338.8000112A1318 K1319 F1320 R1324 R1325 R1326A1318-D1322 WeakPolarHBondContact O-CB 3.33Å; A1318-D1322 PolarHBondContact O-N 3.4Å; K1319-D1322 WeakPolarHBondContact O-CB 3.04Å; K1319-D1322 PolarHBondContact O-N 3.4Å; F1320-D1322 VanDerWaalsContact C-N 3.33Å; F1320-D1322 PolarHBondContact O-N 2.9Å; D1322-R1324 PolarHBondContact O-N 3.15Å; D1322-R1325 PolarHBondContact O-N 3.2Å; D1322-R1326 WeakPolarHBondContact O-CB 2.96Å; D1322-R1326 WeakPolarHBondContact O-CG 3.3Å; D1322-R1326 PolarHBondContact O-N 3.19Å; D1322-R1326 IonicContact OD1-CZ 2.76Å; D1322-R1326 IonicContact OD1-NE 4Å; D1322-R1326 PolarHBondContact OD1-NE 3.26Å; D1322-R1326 IonicContact OD1-NH2 2.75Å; D1322-R1326 IonicContact OD2-CZ 2.78Å; D1322-R1326 IonicContact OD2-NE 2.79Å; D1322-R1326 PolarHBondContact OD2-NE 3.36Å; D1322-R1326 IonicContact OD2-NH1 3.41Å; D1322-R1326 IonicContact OD2-NH2 2.88Å; D1322-R1326 PolarHBondContact OD2-NH2 3.32Å
1323I69.3Low74.4Confident27 Ų2781.7 Ų81.714%0.13838%0.375CS..Hα-helixtrans-61-46.6176.1-71.7149.7000111K1319 F1320 R1325 R1326 T1327 L1916 L2361K1319-I1323 VanDerWaalsContact O-CD1 3.32Å; K1319-I1323 WeakPolarHBondContact O-CD1 3.41Å; K1319-I1323 WeakPolarHBondContact O-CG1 3.46Å; K1319-I1323 PolarHBondContact O-N 2.91Å; F1320-I1323 PolarHBondContact O-N 2.94Å; I1323-R1325 PolarHBondContact O-N 3.18Å; I1323-R1326 PolarHBondContact O-N 3.03Å; I1323-R1326 VanDerWaalsContact O-N 3.16Å; I1323-T1327 PolarHBondContact O-N 2.87Å; I1323-T1327 PolarHBondContact O-OG1 3.37Å; I1323-L1916 HydrophobicContact CD1-CD1 3.78Å; I1323-L1916 HydrophobicContact CD1-CD2 3.25Å; I1323-L1916 HydrophobicContact CD1-CG 4.14Å; I1323-L1916 HydrophobicContact CG1-CD2 4.32Å; I1323-L2361 HydrophobicContact CG2-CD1 4.31Å; I1323-L2361 HydrophobicContact CG2-CD2 4.46Å; I1323-L2361 HydrophobicContact CG2-CG 4.2Å
1324R77.3Confident74.3Confident150 Ų15079.6 Ų79.657%0.56636%0.362SS*.Hα-helixtrans-57-49.2175.1-179.4176.8176.8167.62.7111.3F1320 D1322 R1326 T1327 E1328F1320-R1324 WeakPolarHBondContact O-CB 3.38Å; F1320-R1324 PolarHBondContact O-N 3.42Å; D1322-R1324 PolarHBondContact O-N 3.15Å; R1324-R1326 VanDerWaalsContact C-N 3.28Å; R1324-R1326 PolarHBondContact O-N 3.11Å; R1324-T1327 PolarHBondContact O-N 2.92Å; R1324-E1328 WeakPolarHBondContact CG-OE1 3.24Å; R1324-E1328 IonicContact NE-OE1 3.49Å; R1324-E1328 PolarHBondContact NE-OE1 2.87Å; R1324-E1328 VanDerWaalsContact NE-OE1 3.13Å; R1324-E1328 WeakPolarHBondContact O-CB 3.48Å; R1324-E1328 WeakPolarHBondContact O-CG 3.33Å; R1324-E1328 PolarHBondContact O-N 3.49Å
1325R79.4Confident74.4Confident188 Ų18878.9 Ų78.971%0.70936%0.359SS*.Hα-helixtrans-59.4-38.4176.7-175.6-178.2-180-174.2-0.6111.9N1321 D1322 I1323 A1329N1321-R1325 VanDerWaalsContact O-CB 3.25Å; N1321-R1325 WeakPolarHBondContact O-CB 3.32Å; N1321-R1325 PolarHBondContact O-N 3.06Å; D1322-R1325 PolarHBondContact O-N 3.2Å; I1323-R1325 PolarHBondContact O-N 3.18Å; R1325-A1329 VanDerWaalsContact O-CB 3.28Å; R1325-A1329 WeakPolarHBondContact O-CB 3.41Å; R1325-A1329 PolarHBondContact O-N 2.99Å
1326R69.8Low74.8Confident64 Ų6479.7 Ų79.724%0.24236%0.361CS..Hα-helixtrans-69.5-45.8177.9-72.8172.6-169.9-158.73.1112.1D1322 I1323 R1324 E1328 A1329 I1330 L2361D1322-R1326 WeakPolarHBondContact O-CB 2.96Å; D1322-R1326 WeakPolarHBondContact O-CG 3.3Å; D1322-R1326 PolarHBondContact O-N 3.19Å; D1322-R1326 IonicContact OD1-CZ 2.76Å; D1322-R1326 IonicContact OD1-NE 4Å; D1322-R1326 PolarHBondContact OD1-NE 3.26Å; D1322-R1326 IonicContact OD1-NH2 2.75Å; D1322-R1326 IonicContact OD2-CZ 2.78Å; D1322-R1326 IonicContact OD2-NE 2.79Å; D1322-R1326 PolarHBondContact OD2-NE 3.36Å; D1322-R1326 IonicContact OD2-NH1 3.41Å; D1322-R1326 IonicContact OD2-NH2 2.88Å; D1322-R1326 PolarHBondContact OD2-NH2 3.32Å; I1323-R1326 PolarHBondContact O-N 3.03Å; I1323-R1326 VanDerWaalsContact O-N 3.16Å; R1324-R1326 VanDerWaalsContact C-N 3.28Å; R1324-R1326 PolarHBondContact O-N 3.11Å; R1326-E1328 VanDerWaalsContact C-N 3.31Å; R1326-E1328 PolarHBondContact O-N 3.29Å; R1326-A1329 PolarHBondContact O-N 3.18Å; R1326-I1330 WeakPolarHBondContact O-CG1 3.32Å; R1326-I1330 PolarHBondContact O-N 3.36Å; R1326-L2361 HydrophobicContact CB-CD1 4.38Å
1327T73.9Confident75.1Confident14 Ų1479.5 Ų79.59%0.08636%0.36CS..Hα-helixtrans-59.4-44.3175.6-47.10000111.1I1323 R1324 I1330 R1331 L2361 A2365I1323-T1327 PolarHBondContact O-N 2.87Å; I1323-T1327 PolarHBondContact O-OG1 3.37Å; R1324-T1327 PolarHBondContact O-N 2.92Å; T1327-I1330 PolarHBondContact O-N 3.5Å; T1327-R1331 WeakPolarHBondContact O-CB 3.35Å; T1327-R1331 PolarHBondContact O-N 3.38Å; T1327-L2361 WeakPolarHBondContact OG1-CD2 3.43Å; T1327-A2365 HydrophobicContact CG2-CB 3.85Å
1328E80.5Confident74.8Confident100 Ų10074.1 Ų74.147%0.46734%0.338SS..Hα-helixtrans-61.5-43.9175.5-72170.3-173.400111.3R1324 R1326 R1331 E1332R1324-E1328 WeakPolarHBondContact CG-OE1 3.24Å; R1324-E1328 IonicContact NE-OE1 3.49Å; R1324-E1328 PolarHBondContact NE-OE1 2.87Å; R1324-E1328 VanDerWaalsContact NE-OE1 3.13Å; R1324-E1328 WeakPolarHBondContact O-CB 3.48Å; R1324-E1328 WeakPolarHBondContact O-CG 3.33Å; R1324-E1328 PolarHBondContact O-N 3.49Å; R1326-E1328 VanDerWaalsContact C-N 3.31Å; R1326-E1328 PolarHBondContact O-N 3.29Å; E1328-R1331 PolarHBondContact O-N 3.05Å; E1328-E1332 WeakPolarHBondContact O-CB 3.43Å; E1328-E1332 PolarHBondContact O-N 3.5Å
1329A79.4Confident74.8Confident30 Ų3077.1 Ų77.125%0.24834%0.342CS..Hα-helixtrans-65.9-39.6176.800000113.3R1325 R1326 E1332 R1333R1325-A1329 VanDerWaalsContact O-CB 3.28Å; R1325-A1329 WeakPolarHBondContact O-CB 3.41Å; R1325-A1329 PolarHBondContact O-N 2.99Å; R1326-A1329 PolarHBondContact O-N 3.18Å; A1329-E1332 PolarHBondContact O-N 2.95Å; A1329-R1333 WeakPolarHBondContact O-CB 3.42Å; A1329-R1333 WeakPolarHBondContact O-CG 3.22Å; A1329-R1333 PolarHBondContact O-N 2.92Å
1330I72.9Confident75Confident17 Ų1784.8 Ų84.89%0.08737%0.37CS..Hα-helixtrans-64-44.8175.8-64.7161.7000109.5R1326 T1327 R1333 Y1334 D2358 L2361 L2370 L2374R1326-I1330 WeakPolarHBondContact O-CG1 3.32Å; R1326-I1330 PolarHBondContact O-N 3.36Å; T1327-I1330 PolarHBondContact O-N 3.5Å; I1330-R1333 PolarHBondContact O-N 3.21Å; I1330-Y1334 WeakPolarHBondContact O-CB 3.49Å; I1330-Y1334 PolarHBondContact O-N 2.97Å; I1330-D2358 HydrophobicContact CD1-CB 4.04Å; I1330-L2361 HydrophobicContact CD1-CD2 4.31Å; I1330-L2370 HydrophobicContact CB-CD2 4.41Å; I1330-L2370 HydrophobicContact CG2-CD1 4.27Å; I1330-L2370 HydrophobicContact CG2-CD2 3.83Å; I1330-L2370 HydrophobicContact CG2-CG 4.34Å; I1330-L2374 HydrophobicContact CG2-CD1 4.2Å
1331R81Confident74.9Confident137 Ų13779.9 Ų79.952%0.51735%0.348SS..Hα-helixtrans-59.5-47.1176.4-175.4-177.4-76.7171.6-7.8111.6T1327 E1328 Y1334 Q1335 D2367 L2370T1327-R1331 WeakPolarHBondContact O-CB 3.35Å; T1327-R1331 PolarHBondContact O-N 3.38Å; E1328-R1331 PolarHBondContact O-N 3.05Å; R1331-Y1334 PolarHBondContact O-N 3.03Å; R1331-Q1335 WeakPolarHBondContact O-CB 3.23Å; R1331-Q1335 PolarHBondContact O-N 2.79Å; R1331-D2367 IonicContact CZ-OD2 3.13Å; R1331-D2367 VanDerWaalsContact CZ-OD2 3.32Å; R1331-D2367 IonicContact NE-OD2 2.94Å; R1331-D2367 PolarHBondContact NE-OD2 3.29Å; R1331-D2367 VanDerWaalsContact NE-OD2 3.14Å; R1331-D2367 IonicContact NH2-OD1 2.64Å; R1331-D2367 IonicContact NH2-OD2 3.62Å; R1331-D2367 PolarHBondContact NH2-OD2 3.3Å; R1331-L2370 HydrophobicContact CB-CD2 4.41Å
1332E82.3Confident74.4Confident108 Ų10878 Ų7851%0.50535%0.347SS..Hα-helixtrans-62.7-43.9177.7-168.3-168.3168.900112E1328 A1329 Q1335 K1336E1328-E1332 WeakPolarHBondContact O-CB 3.43Å; E1328-E1332 PolarHBondContact O-N 3.5Å; A1329-E1332 PolarHBondContact O-N 2.95Å; E1332-Q1335 PolarHBondContact O-N 2.9Å; E1332-K1336 HydrophobicContact CG-CD 4.49Å; E1332-K1336 WeakPolarHBondContact O-CG 3.31Å; E1332-K1336 PolarHBondContact O-N 3.17Å; E1332-K1336 WeakPolarHBondContact OE1-CE 3.4Å; E1332-K1336 IonicContact OE1-NZ 3.81Å; E1332-K1336 PolarHBondContact OE1-NZ 2.83Å
1333R74.4Confident74.1Confident85 Ų8580.2 Ų80.232%0.32137%0.373SS..Hα-helixtrans-62.1-43.9177-74.3172-164.9-159.3-3.2111.7A1329 I1330 K1336 Q1337 D1371A1329-R1333 WeakPolarHBondContact O-CB 3.42Å; A1329-R1333 WeakPolarHBondContact O-CG 3.22Å; A1329-R1333 PolarHBondContact O-N 2.92Å; I1330-R1333 PolarHBondContact O-N 3.21Å; R1333-K1336 PolarHBondContact O-N 2.88Å; R1333-Q1337 WeakPolarHBondContact O-CG 3.16Å; R1333-Q1337 PolarHBondContact O-N 3.1Å; R1333-D1371 IonicContact CZ-OD1 3.38Å; R1333-D1371 IonicContact NH1-OD1 2.97Å; R1333-D1371 PolarHBondContact NH1-OD1 2.8Å
1334Y71.9Confident73.8Confident22 Ų2283.7 Ų83.79%0.08639%0.388CS..Hα-helixtrans-65.8-45179.1-167.3-107.2000110.8I1330 R1331 K1336 Q1337 I1338 M1363 L2370 D2373I1330-Y1334 WeakPolarHBondContact O-CB 3.49Å; I1330-Y1334 PolarHBondContact O-N 2.97Å; R1331-Y1334 PolarHBondContact O-N 3.03Å; Y1334-K1336 VanDerWaalsContact C-N 3.32Å; Y1334-K1336 PolarHBondContact O-N 3.36Å; Y1334-Q1337 WeakPolarHBondContact O-CA 3.46Å; Y1334-Q1337 WeakPolarHBondContact O-CB 3.24Å; Y1334-Q1337 PolarHBondContact O-N 3.45Å; Y1334-I1338 HydrophobicContact CD1-CD1 3.75Å; Y1334-I1338 HydrophobicContact CD1-CG1 4.08Å; Y1334-I1338 HydrophobicContact CE1-CD1 3.55Å; Y1334-I1338 HydrophobicContact CE1-CG1 3.88Å; Y1334-I1338 WeakPolarHBondContact O-CG1 3.44Å; Y1334-I1338 PolarHBondContact O-N 3.26Å; Y1334-M1363 HydrophobicContact CE2-CE 3.97Å; Y1334-L2370 HydrophobicContact CD1-CD1 4.02Å; Y1334-L2370 HydrophobicContact CG-CD1 3.92Å; Y1334-D2373 HydrophobicContact CD1-CB 4.44Å; Y1334-D2373 HydrophobicContact CE1-CB 3.59Å; Y1334-D2373 WeakPolarHBondContact CE1-OD2 3.47Å; Y1334-D2373 HydrophobicContact CE2-CB 4.03Å; Y1334-D2373 VanDerWaalsContact CZ-CG 3.43Å; Y1334-D2373 VanDerWaalsContact OH-CB 3.22Å; Y1334-D2373 WeakPolarHBondContact OH-CB 3.19Å; Y1334-D2373 PolarHBondContact OH-OD1 3Å
1335Q78.7Confident73Confident97 Ų9780.2 Ų80.245%0.45338%0.375SS..Hα-helixtrans-57.4-42.5174.9-168.965.814.100112.3R1331 E1332 Q1337 I1338 E1339R1331-Q1335 WeakPolarHBondContact O-CB 3.23Å; R1331-Q1335 PolarHBondContact O-N 2.79Å; E1332-Q1335 PolarHBondContact O-N 2.9Å; Q1335-Q1337 VanDerWaalsContact C-N 3.33Å; Q1335-Q1337 PolarHBondContact O-N 2.94Å; Q1335-I1338 WeakPolarHBondContact O-CB 3.38Å; Q1335-I1338 PolarHBondContact O-N 3.32Å; Q1335-E1339 WeakPolarHBondContact O-CG 3.12Å; Q1335-E1339 PolarHBondContact O-N 3.27Å
1336K77Confident72.1Confident95 Ų9579.6 Ų79.641%0.41339%0.386SS..Hα-helixtrans-63.4-35.4173.9-73.6174.3-176.8170.80113.1E1332 R1333 Y1334 R1340E1332-K1336 HydrophobicContact CG-CD 4.49Å; E1332-K1336 WeakPolarHBondContact O-CG 3.31Å; E1332-K1336 PolarHBondContact O-N 3.17Å; E1332-K1336 WeakPolarHBondContact OE1-CE 3.4Å; E1332-K1336 IonicContact OE1-NZ 3.81Å; E1332-K1336 PolarHBondContact OE1-NZ 2.83Å; R1333-K1336 PolarHBondContact O-N 2.88Å; Y1334-K1336 VanDerWaalsContact C-N 3.32Å; Y1334-K1336 PolarHBondContact O-N 3.36Å; K1336-R1340 WeakPolarHBondContact O-CB 3.45Å; K1336-R1340 VanDerWaalsContact O-CG 3.31Å; K1336-R1340 WeakPolarHBondContact O-CG 3.36Å; K1336-R1340 PolarHBondContact O-N 2.94Å
1337Q71.9Confident72.1Confident29 Ų2982.4 Ų82.414%0.13640%0.4CS..Hα-helixtrans-68.3-39.6174.6-73170.411.600111.2R1333 Y1334 Q1335 R1340 G1341R1333-Q1337 WeakPolarHBondContact O-CG 3.16Å; R1333-Q1337 PolarHBondContact O-N 3.1Å; Y1334-Q1337 WeakPolarHBondContact O-CA 3.46Å; Y1334-Q1337 WeakPolarHBondContact O-CB 3.24Å; Y1334-Q1337 PolarHBondContact O-N 3.45Å; Q1335-Q1337 VanDerWaalsContact C-N 3.33Å; Q1335-Q1337 PolarHBondContact O-N 2.94Å; Q1337-R1340 PolarHBondContact O-N 3.3Å; Q1337-G1341 PolarHBondContact O-N 3.33Å
1338I68.9Low72Confident38 Ų3889.2 Ų89.220%0.19543%0.431CS..Hα-helixtrans-58.9-49.8173.5-66.9-177.5000110.8Y1334 Q1335 R1340 G1341 A1342 R1345Y1334-I1338 HydrophobicContact CD1-CD1 3.75Å; Y1334-I1338 HydrophobicContact CD1-CG1 4.08Å; Y1334-I1338 HydrophobicContact CE1-CD1 3.55Å; Y1334-I1338 HydrophobicContact CE1-CG1 3.88Å; Y1334-I1338 WeakPolarHBondContact O-CG1 3.44Å; Y1334-I1338 PolarHBondContact O-N 3.26Å; Q1335-I1338 WeakPolarHBondContact O-CB 3.38Å; Q1335-I1338 PolarHBondContact O-N 3.32Å; I1338-R1340 PolarHBondContact O-N 3.05Å; I1338-G1341 PolarHBondContact O-N 2.92Å; I1338-A1342 PolarHBondContact O-N 3.26Å; I1338-R1345 VanDerWaalsContact CA-NH2 3.32Å; I1338-R1345 VanDerWaalsContact CG1-NH2 3.28Å
1339E76.5Confident71.6Confident121 Ų12186.5 Ų86.557%0.56542%0.422SS*.Hα-helixtrans-63.2-41.5-179.5-72.3169.9-173.900112.4Q1335 A1342Q1335-E1339 WeakPolarHBondContact O-CG 3.12Å; Q1335-E1339 PolarHBondContact O-N 3.27Å; E1339-A1342 WeakPolarHBondContact O-CB 3.11Å; E1339-A1342 PolarHBondContact O-N 2.85Å
1340R70.1Confident71.6Confident201 Ų20191.2 Ų91.276%0.75845%0.448SS*.Hα-helixtrans-67.4-34.4176.2-73.8176.8-177.6-177.20.9113.1K1336 Q1337 I1338K1336-R1340 WeakPolarHBondContact O-CB 3.45Å; K1336-R1340 VanDerWaalsContact O-CG 3.31Å; K1336-R1340 WeakPolarHBondContact O-CG 3.36Å; K1336-R1340 PolarHBondContact O-N 2.94Å; Q1337-R1340 PolarHBondContact O-N 3.3Å; I1338-R1340 PolarHBondContact O-N 3.05Å
1341G68.1Low72.1Confident0 Ų093.7 Ų93.70%046%0.464CS..Hα-helixtrans-81.9-11.717900000114.3Q1337 I1338 A1343 E1344 R1345Q1337-G1341 PolarHBondContact O-N 3.33Å; I1338-G1341 PolarHBondContact O-N 2.92Å; G1341-A1343 PolarHBondContact O-N 3.21Å; G1341-E1344 PolarHBondContact O-N 2.95Å; G1341-R1345 WeakPolarHBondContact O-CG 3.29Å; G1341-R1345 PolarHBondContact O-N 3.45Å
1342A66Low72.2Confident61 Ų6189.9 Ų89.950%0.50445%0.45SS..THydrogen-bonded Turntrans-57.7-24.9-174.300000114.3I1338 E1339I1338-A1342 PolarHBondContact O-N 3.26Å; E1339-A1342 WeakPolarHBondContact O-CB 3.11Å; E1339-A1342 PolarHBondContact O-N 2.85Å
1343A66.6Low72.2Confident101 Ų10185.8 Ų85.884%0.83544%0.437SS*.THydrogen-bonded Turntrans-77.5-18175.200000114.3G1341G1341-A1343 PolarHBondContact O-N 3.21Å
1344E63.2Low72.7Confident99 Ų9985.1 Ų85.146%0.46344%0.437SS..SBendtrans-106.72.9-179.4-66.2-178.2164.600112.2G1341 Y1362 K1365G1341-E1344 PolarHBondContact O-N 2.95Å; E1344-Y1362 WeakPolarHBondContact OE2-CB 3.5Å; E1344-K1365 IonicContact OE1-NZ 2.79Å; E1344-K1365 PolarHBondContact OE1-NZ 3.01Å; E1344-K1365 IonicContact OE2-NZ 2.72Å; E1344-K1365 PolarHBondContact OE2-NZ 2.79Å
1345R60.1Low73.2Confident78 Ų7884.4 Ų84.429%0.29444%0.435SS..  trans-92.3116.2-176.1-78179.2-174.2-159.1-10.7113.1I1338 G1341 Y1362I1338-R1345 VanDerWaalsContact CA-NH2 3.32Å; I1338-R1345 VanDerWaalsContact CG1-NH2 3.28Å; G1341-R1345 WeakPolarHBondContact O-CG 3.29Å; G1341-R1345 PolarHBondContact O-N 3.45Å; R1345-Y1362 HydrophobicContact CG-CE1 4.45Å; R1345-Y1362 PolarHBondContact NE-OH 3.41Å; R1345-Y1362 PolarHBondContact NH2-OH 2.91Å
1346D61.5Low73.4Confident175 Ų17582.9 Ų82.994%0.93643%0.427SS*.SBendtrans-93.5-8.6168.8-69.5-26.2000113.6
1347F69Low73.6Confident123 Ų12387 Ų8754%0.53944%0.44SS..  trans-150.1130-169.1-176.1-108.6000114.3H1354F1347-H1354 HydrophobicContact CE1-CB 3.72Å; F1347-H1354 AromaticContact CE1-CG 3.77Å; F1347-H1354 AromaticContact CE1-ND1 3.99Å; F1347-H1354 HydrophobicContact CZ-CB 3.98Å; F1347-H1354 AromaticContact CZ-CD2 3.9Å; F1347-H1354 AromaticContact CZ-CE1 3.65Å; F1347-H1354 AromaticContact CZ-CG 3.49Å; F1347-H1354 VanDerWaalsContact CZ-CG 3.49Å; F1347-H1354 AromaticContact CZ-ND1 3.33Å; F1347-H1354 VanDerWaalsContact CZ-ND1 3.33Å; F1347-H1354 WeakPolarHBondContact CZ-ND1 3.33Å
1348E71.1Confident74.1Confident156 Ų15686.9 Ų86.973%0.72944%0.444SS*.  trans-102.7125174.9-170.3173.8-169.600111.1V1350E1348-V1350 PolarHBondContact O-N 3.49Å
1349P73.1Confident74.5Confident43 Ų4385.7 Ų85.728%0.27944%0.441SS..  trans-78.6106.2-175.629.1-33.2000113.1H1354 A1355 A1358P1349-H1354 HydrophobicContact CB-CB 3.68Å; P1349-A1355 VanDerWaalsContact CB-CA 3.46Å; P1349-A1355 HydrophobicContact CB-CB 4.05Å; P1349-A1355 VanDerWaalsContact CB-N 3.29Å; P1349-A1358 HydrophobicContact CB-CB 4.12Å; P1349-A1358 HydrophobicContact CG-CB 3.97Å
1350V80.4Confident74.7Confident129 Ų12982.6 Ų82.678%0.78243%0.429SS*.  trans-85.8-26.3176.1-174.60000113.3E1348E1348-V1350 PolarHBondContact O-N 3.49Å
1351T83.5Confident75.2Confident69 Ų6979.1 Ų79.142%0.42342%0.417SS..SBendtrans-115.4155.2-176.168.50000111.1G1353 H1354 A1355T1351-G1353 PolarHBondContact O-N 3.42Å; T1351-G1353 VanDerWaalsContact O-N 3.16Å; T1351-H1354 CarbonylContact O-C 3.56Å; T1351-H1354 WeakPolarHBondContact O-CA 3.29Å; T1351-H1354 WeakPolarHBondContact O-CB 3.32Å; T1351-H1354 PolarHBondContact O-N 2.96Å; T1351-H1354 PolarHBondContact OG1-CD2 3.28Å; T1351-H1354 VanDerWaalsContact OG1-CD2 3.24Å; T1351-H1354 PolarHBondContact OG1-N 3.05Å; T1351-H1354 PolarHBondContact OG1-ND1 3.46Å; T1351-A1355 PolarHBondContact O-N 3Å
1352Y83Confident75.8Confident57 Ų5780.7 Ų80.722%0.22442%0.423CS..Hα-helixtrans-49.9-41.9173.4176.7-96.5000112.1H1354 A1355 K1356 P1960 D1963 Q2372Y1352-H1354 VanDerWaalsContact C-N 3.3Å; Y1352-H1354 PolarHBondContact O-N 3.07Å; Y1352-A1355 PolarHBondContact O-N 3.17Å; Y1352-K1356 HydrophobicContact CE1-CD 4.19Å; Y1352-K1356 VanDerWaalsContact O-CB 3.27Å; Y1352-K1356 WeakPolarHBondContact O-CB 3.46Å; Y1352-K1356 PolarHBondContact O-N 2.93Å; Y1352-P1960 HydrophobicContact CD1-CG 4.37Å; Y1352-P1960 HydrophobicContact CE1-CG 3.55Å; Y1352-P1960 WeakPolarHBondContact OH-CD 3.34Å; Y1352-D1963 WeakPolarHBondContact CE1-OD2 3.4Å; Y1352-D1963 WeakPolarHBondContact OH-CB 3.46Å; Y1352-D1963 PolarHBondContact OH-OD2 3.18Å; Y1352-Q2372 HydrophobicContact CD2-CG 4.01Å; Y1352-Q2372 HydrophobicContact CE2-CG 4.03Å
1353G82.5Confident76.2Confident23 Ų2377.9 Ų77.924%0.23740%0.399CS..Hα-helixtrans-67-28.7177.800000113.8T1351 R1357T1351-G1353 PolarHBondContact O-N 3.42Å; T1351-G1353 VanDerWaalsContact O-N 3.16Å; G1353-R1357 WeakPolarHBondContact O-CG 3.19Å; G1353-R1357 PolarHBondContact O-NH1 3.2Å
1354H84.6Confident76.7Confident71 Ų7174.2 Ų74.233%0.32937%0.365SS..Hα-helixtrans-75.3-47.4171.2-65.1177.3000110.6F1347 P1349 T1351 Y1352 K1356 R1357 A1358F1347-H1354 HydrophobicContact CE1-CB 3.72Å; F1347-H1354 AromaticContact CE1-CG 3.77Å; F1347-H1354 AromaticContact CE1-ND1 3.99Å; F1347-H1354 HydrophobicContact CZ-CB 3.98Å; F1347-H1354 AromaticContact CZ-CD2 3.9Å; F1347-H1354 AromaticContact CZ-CE1 3.65Å; F1347-H1354 AromaticContact CZ-CG 3.49Å; F1347-H1354 VanDerWaalsContact CZ-CG 3.49Å; F1347-H1354 AromaticContact CZ-ND1 3.33Å; F1347-H1354 VanDerWaalsContact CZ-ND1 3.33Å; F1347-H1354 WeakPolarHBondContact CZ-ND1 3.33Å; P1349-H1354 HydrophobicContact CB-CB 3.68Å; T1351-H1354 CarbonylContact O-C 3.56Å; T1351-H1354 WeakPolarHBondContact O-CA 3.29Å; T1351-H1354 WeakPolarHBondContact O-CB 3.32Å; T1351-H1354 PolarHBondContact O-N 2.96Å; T1351-H1354 PolarHBondContact OG1-CD2 3.28Å; T1351-H1354 VanDerWaalsContact OG1-CD2 3.24Å; T1351-H1354 PolarHBondContact OG1-N 3.05Å; T1351-H1354 PolarHBondContact OG1-ND1 3.46Å; Y1352-H1354 VanDerWaalsContact C-N 3.3Å; Y1352-H1354 PolarHBondContact O-N 3.07Å; H1354-K1356 VanDerWaalsContact C-N 3.34Å; H1354-K1356 PolarHBondContact O-N 3.22Å; H1354-R1357 CarbonylContact O-C 3.18Å; H1354-R1357 PolarHBondContact O-N 3.25Å; H1354-A1358 WeakPolarHBondContact O-CB 3.36Å; H1354-A1358 PolarHBondContact O-N 3.41Å
1355A80.9Confident77.1Confident6 Ų676.1 Ų76.15%0.0537%0.371CS..Hα-helixtrans-57.5-46.9179.700000111.2P1349 T1351 Y1352 R1357 A1358 A2376P1349-A1355 VanDerWaalsContact CB-CA 3.46Å; P1349-A1355 HydrophobicContact CB-CB 4.05Å; P1349-A1355 VanDerWaalsContact CB-N 3.29Å; T1351-A1355 PolarHBondContact O-N 3Å; Y1352-A1355 PolarHBondContact O-N 3.17Å; A1355-R1357 PolarHBondContact O-N 3.48Å; A1355-R1357 VanDerWaalsContact O-N 3.13Å; A1355-A1358 WeakPolarHBondContact O-CB 3.37Å; A1355-A1358 PolarHBondContact O-N 3.46Å; A1355-A1358 VanDerWaalsContact O-N 3.14Å; A1355-A2376 WeakPolarHBondContact O-CB 3.43Å
1356K83.4Confident77.8Confident65 Ų6574.5 Ų74.528%0.28337%0.365SS..THydrogen-bonded Turntrans-54.6-32.1174.3-178.9177.4-178169.80114.2Y1352 H1354 D1963 I2379Y1352-K1356 HydrophobicContact CE1-CD 4.19Å; Y1352-K1356 VanDerWaalsContact O-CB 3.27Å; Y1352-K1356 WeakPolarHBondContact O-CB 3.46Å; Y1352-K1356 PolarHBondContact O-N 2.93Å; H1354-K1356 VanDerWaalsContact C-N 3.34Å; H1354-K1356 PolarHBondContact O-N 3.22Å; K1356-D1963 WeakPolarHBondContact CE-OD1 3.44Å; K1356-D1963 IonicContact NZ-OD1 3.07Å; K1356-D1963 PolarHBondContact NZ-OD1 2.86Å; K1356-D1963 IonicContact NZ-OD2 3.81Å; K1356-D1963 PolarHBondContact NZ-OD2 3.01Å; K1356-I2379 HydrophobicContact CG-CD1 4.03Å
1357R82.5Confident78Confident181 Ų18169.8 Ų69.868%0.68334%0.341SS*.THydrogen-bonded Turntrans-100-5.8-177.1-66.7-176.3-174.693.3-7.6113.6G1353 H1354 A1355 G1359G1353-R1357 WeakPolarHBondContact O-CG 3.19Å; G1353-R1357 PolarHBondContact O-NH1 3.2Å; H1354-R1357 CarbonylContact O-C 3.18Å; H1354-R1357 PolarHBondContact O-N 3.25Å; A1355-R1357 PolarHBondContact O-N 3.48Å; A1355-R1357 VanDerWaalsContact O-N 3.13Å; R1357-G1359 PolarHBondContact O-N 3.35Å
1358A80.4Confident77.9Confident27 Ų2764.9 Ų64.922%0.22332%0.321CS..  trans-78.83.5-174.300000114.2P1349 H1354 A1355P1349-A1358 HydrophobicContact CB-CB 4.12Å; P1349-A1358 HydrophobicContact CG-CB 3.97Å; H1354-A1358 WeakPolarHBondContact O-CB 3.36Å; H1354-A1358 PolarHBondContact O-N 3.41Å; A1355-A1358 WeakPolarHBondContact O-CB 3.37Å; A1355-A1358 PolarHBondContact O-N 3.46Å; A1355-A1358 VanDerWaalsContact O-N 3.14Å
1359G78.3Confident77.4Confident13 Ų1362.2 Ų62.213%0.13431%0.308CS..  trans-64.2134.8174.900000112R1357 F2380R1357-G1359 PolarHBondContact O-N 3.35Å; G1359-F2380 WeakPolarHBondContact O-CD2 3.44Å; G1359-F2380 WeakPolarHBondContact O-CE2 3.45Å
1360D80.3Confident77Confident57 Ų5766.3 Ų66.331%0.30533%0.328SS..  trans-150.8165.6-177.5-166.914.3000112Y1362 M1363 F1364D1360-Y1362 VanDerWaalsContact C-N 3.26Å; D1360-Y1362 HydrophobicContact CB-CD1 3.66Å; D1360-Y1362 HydrophobicContact CB-CE1 3.61Å; D1360-Y1362 PolarHBondContact O-N 3.36Å; D1360-M1363 WeakPolarHBondContact O-CB 3.4Å; D1360-M1363 WeakPolarHBondContact O-CG 3.46Å; D1360-M1363 PolarHBondContact O-N 3Å; D1360-M1363 VanDerWaalsContact O-N 3.15Å; D1360-F1364 WeakPolarHBondContact O-CD2 3.28Å; D1360-F1364 WeakPolarHBondContact O-CE2 3.46Å
1361Y81.3Confident76.1Confident128 Ų12861.2 Ų61.250%0.50230%0.296SS..G310 helixtrans-59.1-31.6-173.7-68-82.3000113.7M1363 F1364 K1365 F2380 T2387Y1361-M1363 PolarHBondContact O-N 3.5Å; Y1361-M1363 VanDerWaalsContact O-N 3.15Å; Y1361-F1364 PolarHBondContact O-N 3.15Å; Y1361-K1365 PolarHBondContact O-N 2.99Å; Y1361-F2380 HydrophobicContact CD1-CE1 4.23Å; Y1361-F2380 HydrophobicContact CD1-CZ 4.17Å; Y1361-F2380 AromaticContact CD2-CZ 3.97Å; Y1361-F2380 HydrophobicContact CD2-CZ 3.97Å; Y1361-F2380 HydrophobicContact CE1-CE1 4.46Å; Y1361-F2380 HydrophobicContact CE1-CZ 4.27Å; Y1361-F2380 HydrophobicContact CE2-CZ 4.06Å; Y1361-F2380 HydrophobicContact CG-CE1 4.38Å; Y1361-F2380 HydrophobicContact CG-CZ 4.02Å; Y1361-T2387 HydrophobicContact CD1-CG2 3.63Å; Y1361-T2387 HydrophobicContact CE1-CG2 3.68Å
1362Y80.3Confident74.9Confident32 Ų3264.1 Ų64.113%0.12531%0.309CS..G310 helixtrans-59.6-26.8179.575.5-97.1000112.8E1344 R1345 D1360 F1364 K1365E1344-Y1362 WeakPolarHBondContact OE2-CB 3.5Å; R1345-Y1362 HydrophobicContact CG-CE1 4.45Å; R1345-Y1362 PolarHBondContact NE-OH 3.41Å; R1345-Y1362 PolarHBondContact NH2-OH 2.91Å; D1360-Y1362 VanDerWaalsContact C-N 3.26Å; D1360-Y1362 HydrophobicContact CB-CD1 3.66Å; D1360-Y1362 HydrophobicContact CB-CE1 3.61Å; D1360-Y1362 PolarHBondContact O-N 3.36Å; Y1362-F1364 PolarHBondContact O-N 2.91Å; Y1362-F1364 VanDerWaalsContact O-N 3.16Å; Y1362-K1365 PolarHBondContact O-N 2.77Å
1363M75.3Confident73.5Confident3 Ų365.8 Ų65.82%0.01532%0.322CS..G310 helixtrans-67-12.1177-58.7176.180.200113.2Y1334 D1360 Y1361 Y1366 K2377Y1334-M1363 HydrophobicContact CE2-CE 3.97Å; D1360-M1363 WeakPolarHBondContact O-CB 3.4Å; D1360-M1363 WeakPolarHBondContact O-CG 3.46Å; D1360-M1363 PolarHBondContact O-N 3Å; D1360-M1363 VanDerWaalsContact O-N 3.15Å; Y1361-M1363 PolarHBondContact O-N 3.5Å; Y1361-M1363 VanDerWaalsContact O-N 3.15Å; M1363-Y1366 WeakPolarHBondContact O-CE1 3.3Å; M1363-K2377 HydrophobicContact CE-CB 3.6Å; M1363-K2377 HydrophobicContact CE-CD 4.31Å; M1363-K2377 HydrophobicContact CE-CG 3.95Å
1364F76.7Confident72Confident24 Ų2467 Ų6711%0.10532%0.324CS..G310 helixtrans-120.3-0-176.9-50.5-83000113.5D1360 Y1361 Y1362 Y1366 K2377 F2380 L2381D1360-F1364 WeakPolarHBondContact O-CD2 3.28Å; D1360-F1364 WeakPolarHBondContact O-CE2 3.46Å; Y1361-F1364 PolarHBondContact O-N 3.15Å; Y1362-F1364 PolarHBondContact O-N 2.91Å; Y1362-F1364 VanDerWaalsContact O-N 3.16Å; F1364-Y1366 PolarHBondContact O-N 2.68Å; F1364-K2377 HydrophobicContact CE1-CD 4.46Å; F1364-K2377 HydrophobicContact CE1-CG 3.67Å; F1364-K2377 HydrophobicContact CZ-CG 3.66Å; F1364-K2377 WeakPolarHBondContact CZ-O 3.29Å; F1364-F2380 AromaticContact CD2-CD1 3.9Å; F1364-F2380 HydrophobicContact CD2-CD1 3.9Å; F1364-F2380 AromaticContact CD2-CE1 3.93Å; F1364-F2380 HydrophobicContact CD2-CE1 3.93Å; F1364-F2380 HydrophobicContact CE2-CB 4.29Å; F1364-F2380 AromaticContact CE2-CD1 3.09Å; F1364-F2380 HydrophobicContact CE2-CD1 3.09Å; F1364-F2380 AromaticContact CE2-CE1 3.58Å; F1364-F2380 HydrophobicContact CE2-CE1 3.58Å; F1364-F2380 AromaticContact CE2-CG 3.97Å; F1364-F2380 HydrophobicContact CE2-CG 3.97Å; F1364-F2380 HydrophobicContact CZ-CB 4.26Å; F1364-F2380 AromaticContact CZ-CD1 3.71Å; F1364-F2380 HydrophobicContact CZ-CD1 3.71Å; F1364-F2380 HydrophobicContact CZ-CG 4.4Å; F1364-L2381 HydrophobicContact CD1-CD1 4.01Å; F1364-L2381 HydrophobicContact CE1-CB 3.91Å; F1364-L2381 HydrophobicContact CE1-CD1 3.63Å; F1364-L2381 HydrophobicContact CE1-CG 4.17Å; F1364-L2381 HydrophobicContact CZ-CB 4.06Å
1365K71Confident70.4Confident138 Ų13871.4 Ų71.460%0.635%0.345SS*.  trans-72.923.4-179.8-72.7-178.5-178.4166.50114.2E1344 Y1361 Y1362E1344-K1365 IonicContact OE1-NZ 2.79Å; E1344-K1365 PolarHBondContact OE1-NZ 3.01Å; E1344-K1365 IonicContact OE2-NZ 2.72Å; E1344-K1365 PolarHBondContact OE2-NZ 2.79Å; Y1361-K1365 PolarHBondContact O-N 2.99Å; Y1362-K1365 PolarHBondContact O-N 2.77Å
1366Y74Confident68.8Low44 Ų4473.5 Ų73.517%0.17336%0.358CS..SBendtrans-123153.4177.472.9-90000110.6M1363 F1364 P1368 D1371 K2377M1363-Y1366 WeakPolarHBondContact O-CE1 3.3Å; F1364-Y1366 PolarHBondContact O-N 2.68Å; Y1366-P1368 VanDerWaalsContact O-CD 3.28Å; Y1366-P1368 WeakPolarHBondContact O-CD 3.39Å; Y1366-D1371 VanDerWaalsContact CE2-OD2 3.31Å; Y1366-D1371 WeakPolarHBondContact CE2-OD2 3.41Å; Y1366-D1371 PolarHBondContact OH-OD2 3.41Å; Y1366-K2377 PolarHBondContact OH-NZ 3.17Å
1367D66.9Low67Low77 Ų7773.3 Ų73.341%0.41236%0.362SS..  trans-73.3116.7-178.3-148.1-20.3000110.8E1369 N1370D1367-E1369 PolarHBondContact O-N 3.41Å; D1367-E1369 VanDerWaalsContact O-N 3.11Å; D1367-N1370 PolarHBondContact O-N 2.75Å
1368P65.8Low65.3Low19 Ų1970.7 Ų70.712%0.12336%0.362CS..G310 helixtrans-62.5-13178.823.5-34000114Y1366 D1371 H2351Y1366-P1368 VanDerWaalsContact O-CD 3.28Å; Y1366-P1368 WeakPolarHBondContact O-CD 3.39Å; P1368-D1371 WeakPolarHBondContact O-CB 3.34Å; P1368-D1371 PolarHBondContact O-N 3.38Å; P1368-H2351 PolarHBondContact O-CE1 3.31Å; P1368-H2351 VanDerWaalsContact O-CE1 3.29Å
1369E60.5Low63.6Low101 Ų10172.7 Ų72.747%0.47237%0.374SS..G310 helixtrans-79.7-20.8178.3-66.3-174.4-179.700113.3D1367 D1371 S2395D1367-E1369 PolarHBondContact O-N 3.41Å; D1367-E1369 VanDerWaalsContact O-N 3.11Å; E1369-D1371 PolarHBondContact O-N 2.8Å; E1369-S2395 WeakPolarHBondContact OE1-CB 3.42Å; E1369-S2395 PolarHBondContact OE1-OG 2.9Å; E1369-S2395 PolarHBondContact OE2-OG 2.91Å
1370N66.2Low61.9Low128 Ų12874.8 Ų74.868%0.68438%0.38SS*.G310 helixtrans-72.2-4.7171.7-69.2-38000112.6D1367D1367-N1370 PolarHBondContact O-N 2.75Å
1371D61.1Low60.4Low23 Ų2374.9 Ų74.912%0.12338%0.382CS..SBendtrans-97.899.2178.3-88.8-13.8000109.4R1333 Y1366 P1368 E1369 L1373R1333-D1371 IonicContact CZ-OD1 3.38Å; R1333-D1371 IonicContact NH1-OD1 2.97Å; R1333-D1371 PolarHBondContact NH1-OD1 2.8Å; Y1366-D1371 VanDerWaalsContact CE2-OD2 3.31Å; Y1366-D1371 WeakPolarHBondContact CE2-OD2 3.41Å; Y1366-D1371 PolarHBondContact OH-OD2 3.41Å; P1368-D1371 WeakPolarHBondContact O-CB 3.34Å; P1368-D1371 PolarHBondContact O-N 3.38Å; E1369-D1371 PolarHBondContact O-N 2.8Å; D1371-L1373 PolarHBondContact O-N 3.32Å; D1371-L1373 VanDerWaalsContact O-N 3.13Å
1372D57.8Low58.4Low129 Ų12969.9 Ų69.969%0.6937%0.366SS*.  trans-45.2121.9174.9-66.9-38.1000111V1374 K2354D1372-V1374 PolarHBondContact O-N 3.41Å; D1372-K2354 PolarHBondContact O-NZ 3.26Å
1373L53.5Low56.7Low93 Ų9374.3 Ų74.349%0.48739%0.387SS..  trans-66.5118177.4-73171.6000108.1D1371 E1375 D2350D1371-L1373 PolarHBondContact O-N 3.32Å; D1371-L1373 VanDerWaalsContact O-N 3.13Å; L1373-E1375 PolarHBondContact O-N 2.93Å; L1373-E1375 VanDerWaalsContact O-N 3.15Å; L1373-D2350 HydrophobicContact CD2-CB 3.75Å
1374V51.9Low55.4Low49 Ų4975.6 Ų75.630%0.29740%0.395SS..  trans-69.8111.4179.91720000108.5D1372D1372-V1374 PolarHBondContact O-N 3.41Å
1375E50.1Low54Low163 Ų16377 Ų7776%0.76240%0.404SS*.  trans-59.2132.8163.6-69.2-175.8170.700108.3L1373 V1377L1373-E1375 PolarHBondContact O-N 2.93Å; L1373-E1375 VanDerWaalsContact O-N 3.15Å; E1375-V1377 PolarHBondContact O-N 3.47Å
1376P48.5Very low53Low49 Ų4974.9 Ų74.932%0.31840%0.404SS..  trans-55.2132.7176.626.3-35.4000108.6D1378 Y1926P1376-D1378 PolarHBondContact O-N 3.08Å; P1376-Y1926 HydrophobicContact CB-CE2 4.42Å; P1376-Y1926 HydrophobicContact CG-CE2 3.99Å
1377V45.1Very low51.7Low61 Ų6182.4 Ų82.437%0.3744%0.438SS..  trans-64.7101.3178.4-178.60000107.8K1319 E1375 S1379K1319-V1377 HydrophobicContact CD-CG1 3.86Å; K1319-V1377 HydrophobicContact CG-CG1 4.47Å; E1375-V1377 PolarHBondContact O-N 3.47Å; V1377-S1379 PolarHBondContact O-N 3.2Å
1378D45.3Very low50.8Low127 Ų12781.2 Ų81.268%0.67944%0.439SS*.  trans-54.7139.7174.9-83.6-30.5000109.8K1319 P1376K1319-D1378 PolarHBondContact NZ-O 3.44Å; P1376-D1378 PolarHBondContact O-N 3.08Å
1379S46.2Very low50.2Low69 Ų6982.4 Ų82.448%0.48345%0.446SS..  trans-46.2155.3-170.862.60000114.7V1377 V1381V1377-S1379 PolarHBondContact O-N 3.2Å; S1379-V1381 PolarHBondContact O-N 3.43Å
1380F42.9Very low50Low56 Ų5680 Ų8025%0.24644%0.444CS..SBendtrans-58.414-180-65.8-85.1000116.5L1916F1380-L1916 HydrophobicContact CE1-CB 4.4Å; F1380-L1916 HydrophobicContact CE2-CB 4.48Å; F1380-L1916 WeakPolarHBondContact CE2-O 3.4Å; F1380-L1916 HydrophobicContact CZ-CB 3.63Å; F1380-L1916 WeakPolarHBondContact CZ-O 3.4Å
1381V47.5Very low50Low59 Ų5975.9 Ų75.936%0.35842%0.419SS..SBendtrans-110.9108.6-179.5-174.10000108S1379 E1383S1379-V1381 PolarHBondContact O-N 3.43Å; V1381-E1383 PolarHBondContact O-N 3.32Å; V1381-E1383 VanDerWaalsContact O-N 3.08Å
1382P40.2Very low50.2Low24 Ų2480.7 Ų80.716%0.15644%0.444CS..  trans-60.6116.1172.320.8-28.9000109.6Q1312 V1384Q1312-P1382 HydrophobicContact CG-CG 3.78Å; P1382-V1384 HydrophobicContact CB-CG2 3.79Å; P1382-V1384 HydrophobicContact CG-CG2 4.19Å; P1382-V1384 PolarHBondContact O-N 3.47Å
1383E44.3Very low50.9Low124 Ų12479.6 Ų79.658%0.57943%0.43SS*.  trans-72.482.4158.4-71.3-162164.100107.6V1381 D1385 K1485V1381-E1383 PolarHBondContact O-N 3.32Å; V1381-E1383 VanDerWaalsContact O-N 3.08Å; E1383-D1385 PolarHBondContact O-N 3.43Å; E1383-K1485 IonicContact OE1-NZ 3.32Å; E1383-K1485 PolarHBondContact OE1-NZ 3.39Å; E1383-K1485 IonicContact OE2-NZ 2.63Å
1384V48.1Very low51.8Low31 Ų3175.2 Ų75.219%0.18841%0.408CS..SBendtrans-67.1100.7173.7-175.90000107.1E1311 P1382 R1488E1311-V1384 VanDerWaalsContact OE2-CG2 3.31Å; E1311-V1384 WeakPolarHBondContact OE2-CG2 3.34Å; P1382-V1384 HydrophobicContact CB-CG2 3.79Å; P1382-V1384 HydrophobicContact CG-CG2 4.19Å; P1382-V1384 PolarHBondContact O-N 3.47Å; V1384-R1488 VanDerWaalsContact CB-NH1 3.26Å; V1384-R1488 PolarHBondContact O-NH1 3.42Å
1385D47.7Very low52.8Low54 Ų5476.2 Ų76.229%0.28941%0.411SS..  trans9974.6173.4-50.7-29.3000117.7E1383 K1387 A1388 T1389E1383-D1385 PolarHBondContact O-N 3.43Å; D1385-K1387 PolarHBondContact O-N 3.48Å; D1385-A1388 HydrophobicContact CB-CB 4.15Å; D1385-A1388 PolarHBondContact O-N 3.24Å; D1385-A1388 VanDerWaalsContact O-N 3.17Å; D1385-T1389 PolarHBondContact O-OG1 3.31Å
1386P49Very low54.1Low93 Ų9370 Ų7060%0.60439%0.385SS*.Hα-helixtrans-57.2-23.5175.921.4-32.1000113.5A1390P1386-A1390 VanDerWaalsContact O-CB 3.24Å; P1386-A1390 WeakPolarHBondContact O-CB 3.17Å
1387K48.2Very low55.3Low201 Ų20169.3 Ų69.387%0.87439%0.386SS*.Hα-helixtrans-82.5-24.7-178.3-68.3-178.7-179.4172.20114.6D1385D1385-K1387 PolarHBondContact O-N 3.48Å
1388A47.6Very low56.8Low53 Ų5368 Ų6844%0.43838%0.377SS..Hα-helixtrans-93.2-16.6-174.100000113.4D1385D1385-A1388 HydrophobicContact CB-CB 4.15Å; D1385-A1388 PolarHBondContact O-N 3.24Å; D1385-A1388 VanDerWaalsContact O-N 3.17Å
1389T52.5Low58.6Low43 Ų4362.2 Ų62.226%0.26435%0.345SS..Hα-helixtrans-120.82-177.552.20000114.9D1385 V1481 K1485D1385-T1389 PolarHBondContact O-OG1 3.31Å; T1389-V1481 WeakPolarHBondContact O-CG1 3.21Å; T1389-K1485 HydrophobicContact CG2-CB 4.3Å; T1389-K1485 HydrophobicContact CG2-CD 4.5Å; T1389-K1485 HydrophobicContact CG2-CG 4.28Å
1390A57.1Low60.1Low52 Ų5264.5 Ų64.543%0.4335%0.35SS..  trans-70.9134.1176.200000112.2P1386 D1392P1386-A1390 VanDerWaalsContact O-CB 3.24Å; P1386-A1390 WeakPolarHBondContact O-CB 3.17Å; A1390-D1392 PolarHBondContact O-N 3.43Å
1391Y64.7Low61.8Low41 Ų4165.1 Ų65.116%0.16135%0.351CS..  trans-88.191.7173.2-173-104.4000109.9R1393 D1395 S1474 D1477 L1478Y1391-R1393 WeakPolarHBondContact CD1-O 3.12Å; Y1391-R1393 HydrophobicContact CE1-CB 3.84Å; Y1391-R1393 WeakPolarHBondContact CE1-O 3.43Å; Y1391-R1393 HydrophobicContact CE2-CB 4.5Å; Y1391-R1393 PolarHBondContact O-N 3.41Å; Y1391-D1395 WeakPolarHBondContact CD1-OD1 3.42Å; Y1391-S1474 VanDerWaalsContact OH-CA 3.29Å; Y1391-S1474 WeakPolarHBondContact OH-CA 3.46Å; Y1391-S1474 WeakPolarHBondContact OH-CB 3.21Å; Y1391-S1474 PolarHBondContact OH-O 3.39Å; Y1391-S1474 PolarHBondContact OH-OG 3.07Å; Y1391-D1477 HydrophobicContact CE2-CB 4.07Å; Y1391-L1478 HydrophobicContact CD2-CD1 4.43Å; Y1391-L1478 HydrophobicContact CE2-CB 4.37Å; Y1391-L1478 HydrophobicContact CG-CD1 4.28Å
1392D67Low63.2Low124 Ų12462.3 Ų62.366%0.66333%0.334SS*.  trans-76.318.6-172.9-70.2-13.7000115.5A1390 R1429A1390-D1392 PolarHBondContact O-N 3.43Å; D1392-R1429 PolarHBondContact O-NH1 3.35Å
1393R71.9Confident65Low105 Ų10561.3 Ų61.340%0.39633%0.328SS..SBendtrans-123.4165.6-175.7-63.7-179.9-178.6162.64.9112Y1391 D1395 D1477Y1391-R1393 WeakPolarHBondContact CD1-O 3.12Å; Y1391-R1393 HydrophobicContact CE1-CB 3.84Å; Y1391-R1393 WeakPolarHBondContact CE1-O 3.43Å; Y1391-R1393 HydrophobicContact CE2-CB 4.5Å; Y1391-R1393 PolarHBondContact O-N 3.41Å; R1393-D1395 PolarHBondContact O-N 3.36Å; R1393-D1477 IonicContact CZ-OD2 3.28Å; R1393-D1477 IonicContact NH1-OD2 3.63Å; R1393-D1477 PolarHBondContact NH1-OD2 3.48Å
1394L71.7Confident66.6Low2 Ų257.8 Ų57.81%0.0132%0.315CS..  trans-61.8129.7173.7-79.886.7000110.8Q1398 I1399 V1417 D1421 R1429 A1433 S1474L1394-Q1398 HydrophobicContact CB-CB 4.47Å; L1394-Q1398 HydrophobicContact CD2-CB 4.35Å; L1394-I1399 HydrophobicContact CB-CD1 4.2Å; L1394-I1399 HydrophobicContact CB-CG1 3.72Å; L1394-I1399 HydrophobicContact CD2-CG1 4.41Å; L1394-V1417 HydrophobicContact CD2-CG1 4.49Å; L1394-V1417 HydrophobicContact CD2-CG2 4.4Å; L1394-D1421 WeakPolarHBondContact CD1-OD1 3.36Å; L1394-D1421 PolarHBondContact N-OD1 2.96Å; L1394-R1429 HydrophobicContact CD1-CG 3.57Å; L1394-R1429 HydrophobicContact CG-CG 4.15Å; L1394-A1433 HydrophobicContact CD2-CB 4.02Å; L1394-S1474 PolarHBondContact O-OG 2.96Å
1395D73.1Confident67.8Low69 Ų6958.5 Ų58.537%0.36932%0.324SS..  trans-62.1150175.4-75.9-23.4000111Y1391 R1393 G1397 Q1398 I1399Y1391-D1395 WeakPolarHBondContact CD1-OD1 3.42Å; R1393-D1395 PolarHBondContact O-N 3.36Å; D1395-G1397 PolarHBondContact O-N 2.99Å; D1395-Q1398 HydrophobicContact CB-CG 4.25Å; D1395-Q1398 PolarHBondContact O-N 3.25Å; D1395-I1399 PolarHBondContact O-N 3.24Å
1396P76.7Confident69.1Low34 Ų3456.9 Ų56.922%0.22132%0.315CS..Hα-helixtrans-51.4-34.5174.6-26.434000113.2M1400P1396-M1400 WeakPolarHBondContact O-CB 3.4Å; P1396-M1400 PolarHBondContact O-N 2.92Å; P1396-M1400 VanDerWaalsContact O-N 3.11Å
1397G74.3Confident70.1Confident33 Ų3357.1 Ų57.134%0.3431%0.311SS..Hα-helixtrans-67.7-40.7175.200000114D1395 M1400 Y1401D1395-G1397 PolarHBondContact O-N 2.99Å; G1397-M1400 PolarHBondContact O-N 3.11Å; G1397-Y1401 PolarHBondContact O-N 3.43Å
1398Q77.5Confident71.3Confident35 Ų3552.4 Ų52.416%0.16430%0.295CS..Hα-helixtrans-68.5-40.4177.4-69.1177.2-15.300111.7L1394 D1395 M1400 Y1401 A1402 Y1987L1394-Q1398 HydrophobicContact CB-CB 4.47Å; L1394-Q1398 HydrophobicContact CD2-CB 4.35Å; D1395-Q1398 HydrophobicContact CB-CG 4.25Å; D1395-Q1398 PolarHBondContact O-N 3.25Å; Q1398-M1400 VanDerWaalsContact C-N 3.27Å; Q1398-M1400 PolarHBondContact O-N 3.37Å; Q1398-Y1401 PolarHBondContact O-N 3.02Å; Q1398-A1402 PolarHBondContact O-N 3.49Å; Q1398-Y1987 HydrophobicContact CG-CE1 4.4Å
1399I82Confident72.6Confident4 Ų453 Ų532%0.02129%0.291CS..Hα-helixtrans-60.3-40.8173.7-63.8174.2000110.4L1394 D1395 A1403 V1417 F1467L1394-I1399 HydrophobicContact CB-CD1 4.2Å; L1394-I1399 HydrophobicContact CB-CG1 3.72Å; L1394-I1399 HydrophobicContact CD2-CG1 4.41Å; D1395-I1399 PolarHBondContact O-N 3.24Å; I1399-A1403 PolarHBondContact O-N 3.21Å; I1399-V1417 HydrophobicContact CD1-CG1 4.31Å; I1399-V1417 HydrophobicContact CG1-CG1 4.14Å; I1399-V1417 HydrophobicContact CG1-CG2 4.43Å; I1399-V1417 HydrophobicContact CG2-CG2 4.41Å; I1399-F1467 HydrophobicContact CG2-CD2 4.38Å; I1399-F1467 HydrophobicContact CG2-CE2 3.51Å; I1399-F1467 HydrophobicContact CG2-CZ 3.95Å
1400M78.4Confident73.9Confident118 Ų11852.3 Ų52.358%0.58129%0.285SS*.Hα-helixtrans-68.2-41.5177.2-172.6162.966.300112.2P1396 G1397 Q1398 A1403 T1404P1396-M1400 WeakPolarHBondContact O-CB 3.4Å; P1396-M1400 PolarHBondContact O-N 2.92Å; P1396-M1400 VanDerWaalsContact O-N 3.11Å; G1397-M1400 PolarHBondContact O-N 3.11Å; Q1398-M1400 VanDerWaalsContact C-N 3.27Å; Q1398-M1400 PolarHBondContact O-N 3.37Å; M1400-A1403 WeakPolarHBondContact O-CB 3.28Å; M1400-A1403 PolarHBondContact O-N 3.2Å; M1400-T1404 PolarHBondContact O-N 3.07Å; M1400-T1404 PolarHBondContact O-OG1 2.89Å
1401Y78.7Confident74.6Confident68 Ų6851.8 Ų51.827%0.26728%0.281SS..Hα-helixtrans-60-46.9174.3-179.6-96.8000111.6G1397 Q1398 A1403 T1404 A1405 V1434 Y1987G1397-Y1401 PolarHBondContact O-N 3.43Å; Q1398-Y1401 PolarHBondContact O-N 3.02Å; Y1401-A1403 VanDerWaalsContact C-N 3.29Å; Y1401-A1403 PolarHBondContact O-N 3.48Å; Y1401-T1404 WeakPolarHBondContact CA-OG1 3.33Å; Y1401-T1404 PolarHBondContact O-N 3.11Å; Y1401-T1404 VanDerWaalsContact O-N 3.13Å; Y1401-T1404 PolarHBondContact O-OG1 3.29Å; Y1401-A1405 WeakPolarHBondContact O-CB 3.31Å; Y1401-A1405 PolarHBondContact O-N 3.1Å; Y1401-V1434 HydrophobicContact CD1-CG2 4.1Å; Y1401-V1434 HydrophobicContact CE1-CG2 4.02Å; Y1401-Y1987 HydrophobicContact CD1-CD1 4.03Å; Y1401-Y1987 AromaticContact CD2-CD1 3.94Å; Y1401-Y1987 HydrophobicContact CD2-CD1 3.94Å; Y1401-Y1987 HydrophobicContact CE1-CD1 4.49Å; Y1401-Y1987 HydrophobicContact CE2-CD1 4.4Å; Y1401-Y1987 AromaticContact CG-CD1 3.73Å; Y1401-Y1987 HydrophobicContact CG-CD1 3.73Å; Y1401-Y1987 HydrophobicContact CG-CE1 4.38Å; Y1401-Y1987 PolarHBondContact OH-O 2.79Å
1402A77.1Confident75.1Confident1 Ų154.1 Ų54.11%0.00829%0.292CS..Hα-helixtrans-58.2-41.3174.700000111.7Q1398 T1404 A1405 H1406 A1433 V1434Q1398-A1402 PolarHBondContact O-N 3.49Å; A1402-T1404 PolarHBondContact O-N 3.22Å; A1402-A1405 PolarHBondContact O-N 3.26Å; A1402-H1406 PolarHBondContact O-CD2 3.26Å; A1402-H1406 PolarHBondContact O-N 2.83Å; A1402-H1406 VanDerWaalsContact O-N 3.09Å; A1402-A1433 HydrophobicContact CB-CB 4.2Å; A1402-V1434 HydrophobicContact CB-CG2 4.43Å
1403A78.4Confident75.7Confident3 Ų348.2 Ų48.23%0.02526%0.261CS..Hα-helixtrans-62.4-40.217500000113.6I1399 M1400 Y1401 L1408 T1413 F1467I1399-A1403 PolarHBondContact O-N 3.21Å; M1400-A1403 WeakPolarHBondContact O-CB 3.28Å; M1400-A1403 PolarHBondContact O-N 3.2Å; Y1401-A1403 VanDerWaalsContact C-N 3.29Å; Y1401-A1403 PolarHBondContact O-N 3.48Å; A1403-L1408 WeakPolarHBondContact O-CA 3.46Å; A1403-L1408 PolarHBondContact O-N 3.43Å; A1403-T1413 HydrophobicContact CB-CG2 4.18Å; A1403-F1467 HydrophobicContact CB-CE2 3.98Å; A1403-F1467 HydrophobicContact CB-CZ 3.87Å
1404T77.3Confident76.2Confident49 Ų4944.3 Ų44.330%0.30125%0.248SC..Hα-helixtrans-71.9-30.9176.253.80000113.2M1400 Y1401 A1402 D1407M1400-T1404 PolarHBondContact O-N 3.07Å; M1400-T1404 PolarHBondContact O-OG1 2.89Å; Y1401-T1404 WeakPolarHBondContact CA-OG1 3.33Å; Y1401-T1404 PolarHBondContact O-N 3.11Å; Y1401-T1404 VanDerWaalsContact O-N 3.13Å; Y1401-T1404 PolarHBondContact O-OG1 3.29Å; A1402-T1404 PolarHBondContact O-N 3.22Å; T1404-D1407 PolarHBondContact O-N 3.08Å
1405A73Confident76.5Confident47 Ų4750.4 Ų50.439%0.38828%0.277SS..Hα-helixtrans-70.7-34.6176.700000112.1Y1401 A1402 D1407 V1434Y1401-A1405 WeakPolarHBondContact O-CB 3.31Å; Y1401-A1405 PolarHBondContact O-N 3.1Å; A1402-A1405 PolarHBondContact O-N 3.26Å; A1405-D1407 VanDerWaalsContact C-N 3.26Å; A1405-D1407 PolarHBondContact O-N 3.33Å; A1405-V1434 HydrophobicContact CB-CG1 3.82Å
1406H74.1Confident76.8Confident20 Ų2048.3 Ų48.39%0.09327%0.265CS..THydrogen-bonded Turntrans-8625.9174.6-70-66.7000113.7A1402 L1408 D1409 T1413 A1433 V1434A1402-H1406 PolarHBondContact O-CD2 3.26Å; A1402-H1406 PolarHBondContact O-N 2.83Å; A1402-H1406 VanDerWaalsContact O-N 3.09Å; H1406-L1408 PolarHBondContact O-N 3.01Å; H1406-D1409 VanDerWaalsContact O-CB 3.32Å; H1406-D1409 WeakPolarHBondContact O-CB 3.48Å; H1406-D1409 PolarHBondContact O-N 3.2Å; H1406-T1413 HydrophobicContact CB-CG2 3.57Å; H1406-A1433 PolarHBondContact NE2-O 3.3Å; H1406-V1434 PolarHBondContact CE1-O 3.13Å
1407D70.9Confident77.1Confident98 Ų9846.9 Ų46.952%0.52426%0.256SS..THydrogen-bonded Turntrans49.136.2179.1-88.3-15.7000113.9T1404 A1405 D1409T1404-D1407 PolarHBondContact O-N 3.08Å; A1405-D1407 VanDerWaalsContact C-N 3.26Å; A1405-D1407 PolarHBondContact O-N 3.33Å; D1407-D1409 VanDerWaalsContact C-N 3.31Å; D1407-D1409 PolarHBondContact O-N 3.34Å
1408L73.3Confident77.3Confident102 Ų10251.9 Ų51.953%0.53427%0.268SS..THydrogen-bonded Turntrans6326-175.7-59.2167000114.9A1403 H1406 L1410 L1998A1403-L1408 WeakPolarHBondContact O-CA 3.46Å; A1403-L1408 PolarHBondContact O-N 3.43Å; H1406-L1408 PolarHBondContact O-N 3.01Å; L1408-L1410 VanDerWaalsContact C-N 3.3Å; L1408-L1410 PolarHBondContact O-N 3.2Å; L1408-L1998 HydrophobicContact CD1-CD1 4.23Å
1409D75.2Confident77.5Confident65 Ų6555.8 Ų55.835%0.34828%0.284SS..  trans-75.281.1168.6-167.3-13.9000111H1406 D1407 A1411 K1412 T1413H1406-D1409 VanDerWaalsContact O-CB 3.32Å; H1406-D1409 WeakPolarHBondContact O-CB 3.48Å; H1406-D1409 PolarHBondContact O-N 3.2Å; D1407-D1409 VanDerWaalsContact C-N 3.31Å; D1407-D1409 PolarHBondContact O-N 3.34Å; D1409-A1411 PolarHBondContact O-N 3.43Å; D1409-A1411 VanDerWaalsContact O-N 3.14Å; D1409-K1412 HydrophobicContact CB-CB 4.31Å; D1409-K1412 HydrophobicContact CB-CD 4.29Å; D1409-K1412 HydrophobicContact CB-CG 4.41Å; D1409-K1412 PolarHBondContact O-N 2.91Å; D1409-K1412 VanDerWaalsContact O-N 3.14Å; D1409-K1412 WeakPolarHBondContact OD2-CD 3Å; D1409-K1412 WeakPolarHBondContact OD2-CE 3.43Å; D1409-K1412 WeakPolarHBondContact OD2-CG 3.28Å; D1409-K1412 IonicContact OD2-NZ 2.76Å; D1409-T1413 WeakPolarHBondContact O-CG2 3.14Å; D1409-T1413 PolarHBondContact O-N 3.24Å
1410L79.1Confident77.1Confident28 Ų2855.6 Ų55.615%0.14728%0.283CS..Hα-helixtrans-59.8-26.2-172.7-58.3177000113.7L1408 T1413 V1414 T1464 F1467L1408-L1410 VanDerWaalsContact C-N 3.3Å; L1408-L1410 PolarHBondContact O-N 3.2Å; L1410-T1413 WeakPolarHBondContact CA-OG1 3.14Å; L1410-T1413 PolarHBondContact O-OG1 3.5Å; L1410-T1413 VanDerWaalsContact O-OG1 3.08Å; L1410-V1414 WeakPolarHBondContact O-CB 3.39Å; L1410-V1414 WeakPolarHBondContact O-CG2 3.33Å; L1410-V1414 PolarHBondContact O-N 3.43Å; L1410-V1414 VanDerWaalsContact O-N 3.16Å; L1410-T1464 HydrophobicContact CD1-CG2 3.84Å; L1410-T1464 WeakPolarHBondContact CD1-OG1 3.42Å; L1410-F1467 HydrophobicContact CD2-CB 4.47Å; L1410-F1467 HydrophobicContact CD2-CD1 4.03Å; L1410-F1467 HydrophobicContact CD2-CD2 4.19Å; L1410-F1467 HydrophobicContact CD2-CE1 4.31Å; L1410-F1467 HydrophobicContact CD2-CE2 4.44Å; L1410-F1467 HydrophobicContact CD2-CG 3.97Å
1411A72.5Confident77Confident42 Ų4252 Ų5235%0.34727%0.266SS..Hα-helixtrans-70.9-47.2177.700000110.7D1409 Q1415D1409-A1411 PolarHBondContact O-N 3.43Å; D1409-A1411 VanDerWaalsContact O-N 3.14Å; A1411-Q1415 WeakPolarHBondContact O-CG 3.3Å; A1411-Q1415 PolarHBondContact O-N 3.49Å
1412K75.4Confident76.8Confident90 Ų9054.3 Ų54.339%0.39129%0.288SS..Hα-helixtrans-62.5-43.4175.2-70.9-174.4-175.9-178.70111.3D1409 V1414 Q1415 Q1416 E1436D1409-K1412 HydrophobicContact CB-CB 4.31Å; D1409-K1412 HydrophobicContact CB-CD 4.29Å; D1409-K1412 HydrophobicContact CB-CG 4.41Å; D1409-K1412 PolarHBondContact O-N 2.91Å; D1409-K1412 VanDerWaalsContact O-N 3.14Å; D1409-K1412 WeakPolarHBondContact OD2-CD 3Å; D1409-K1412 WeakPolarHBondContact OD2-CE 3.43Å; D1409-K1412 WeakPolarHBondContact OD2-CG 3.28Å; D1409-K1412 IonicContact OD2-NZ 2.76Å; K1412-V1414 PolarHBondContact O-N 3.36Å; K1412-Q1415 PolarHBondContact O-N 3.26Å; K1412-Q1416 WeakPolarHBondContact O-CG 3.45Å; K1412-Q1416 PolarHBondContact O-N 2.99Å; K1412-E1436 IonicContact NZ-OE1 3.14Å; K1412-E1436 PolarHBondContact NZ-OE1 3.44Å
1413T79.6Confident76.8Confident0 Ų056.3 Ų56.30%030%0.298CS..Hα-helixtrans-65.8-43.6-17665.80000111.9A1403 H1406 D1409 L1410 Q1415 Q1416 V1417A1403-T1413 HydrophobicContact CB-CG2 4.18Å; H1406-T1413 HydrophobicContact CB-CG2 3.57Å; D1409-T1413 WeakPolarHBondContact O-CG2 3.14Å; D1409-T1413 PolarHBondContact O-N 3.24Å; L1410-T1413 WeakPolarHBondContact CA-OG1 3.14Å; L1410-T1413 PolarHBondContact O-OG1 3.5Å; L1410-T1413 VanDerWaalsContact O-OG1 3.08Å; T1413-Q1415 VanDerWaalsContact C-N 3.28Å; T1413-Q1415 PolarHBondContact O-N 2.84Å; T1413-Q1416 PolarHBondContact O-N 3.37Å; T1413-V1417 WeakPolarHBondContact O-CB 2.92Å; T1413-V1417 WeakPolarHBondContact O-CG2 3.44Å; T1413-V1417 PolarHBondContact O-N 3.35Å
1414V81Confident76.5Confident23 Ų2366.1 Ų66.114%0.13934%0.34CS..Hα-helixtrans-62.6-36.4177.2170.90000111.5L1410 K1412 K1418 F1467L1410-V1414 WeakPolarHBondContact O-CB 3.39Å; L1410-V1414 WeakPolarHBondContact O-CG2 3.33Å; L1410-V1414 PolarHBondContact O-N 3.43Å; L1410-V1414 VanDerWaalsContact O-N 3.16Å; K1412-V1414 PolarHBondContact O-N 3.36Å; V1414-K1418 WeakPolarHBondContact O-CB 3.38Å; V1414-K1418 WeakPolarHBondContact O-CG 3.39Å; V1414-K1418 PolarHBondContact O-N 2.89Å; V1414-F1467 HydrophobicContact CG2-CB 3.83Å; V1414-F1467 HydrophobicContact CG2-CD2 4.03Å; V1414-F1467 HydrophobicContact CG2-CG 4.45Å
1415Q79Confident76.3Confident130 Ų13067.9 Ų67.961%0.60735%0.347SS*.Hα-helixtrans-69.2-44.6175.6-72-178.9-4.100112.1A1411 K1412 T1413 K1418 K1419A1411-Q1415 WeakPolarHBondContact O-CG 3.3Å; A1411-Q1415 PolarHBondContact O-N 3.49Å; K1412-Q1415 PolarHBondContact O-N 3.26Å; T1413-Q1415 VanDerWaalsContact C-N 3.28Å; T1413-Q1415 PolarHBondContact O-N 2.84Å; Q1415-K1418 PolarHBondContact O-N 3.35Å; Q1415-K1419 PolarHBondContact O-N 2.93Å
1416Q79.8Confident76Confident25 Ų2568.9 Ų68.912%0.11735%0.35CS..Hα-helixtrans-69.9-37.6179.7-63.9-630.200112.4K1412 T1413 K1418 K1419 G1420K1412-Q1416 WeakPolarHBondContact O-CG 3.45Å; K1412-Q1416 PolarHBondContact O-N 2.99Å; T1413-Q1416 PolarHBondContact O-N 3.37Å; Q1416-K1418 PolarHBondContact O-N 3.16Å; Q1416-K1419 WeakPolarHBondContact O-CB 3.47Å; Q1416-K1419 PolarHBondContact O-N 3.43Å; Q1416-G1420 PolarHBondContact O-N 3.26Å
1417V81.7Confident75.7Confident4 Ų472.9 Ų72.92%0.02437%0.372CS..Hα-helixtrans-63.8-40.2174.31700000111.3L1394 I1399 T1413 K1419 G1420 D1421L1394-V1417 HydrophobicContact CD2-CG1 4.49Å; L1394-V1417 HydrophobicContact CD2-CG2 4.4Å; I1399-V1417 HydrophobicContact CD1-CG1 4.31Å; I1399-V1417 HydrophobicContact CG1-CG1 4.14Å; I1399-V1417 HydrophobicContact CG1-CG2 4.43Å; I1399-V1417 HydrophobicContact CG2-CG2 4.41Å; T1413-V1417 WeakPolarHBondContact O-CB 2.92Å; T1413-V1417 WeakPolarHBondContact O-CG2 3.44Å; T1413-V1417 PolarHBondContact O-N 3.35Å; V1417-K1419 VanDerWaalsContact C-N 3.29Å; V1417-K1419 PolarHBondContact O-N 2.88Å; V1417-G1420 PolarHBondContact O-N 3.47Å; V1417-D1421 PolarHBondContact O-N 2.92Å
1418K80.3Confident75.9Confident137 Ų13769.8 Ų69.860%0.59636%0.358SS*.Hα-helixtrans-63.1-34.7174.4-80.9-179179.5-176.70112.7V1414 Q1415 Q1416V1414-K1418 WeakPolarHBondContact O-CB 3.38Å; V1414-K1418 WeakPolarHBondContact O-CG 3.39Å; V1414-K1418 PolarHBondContact O-N 2.89Å; Q1415-K1418 PolarHBondContact O-N 3.35Å; Q1416-K1418 PolarHBondContact O-N 3.16Å
1419K80.7Confident76.1Confident118 Ų11866.3 Ų66.351%0.51334%0.338SS..Hα-helixtrans-69.6-43.9172.7-71.4179.6178.9179.50110.8Q1415 Q1416 V1417 D1421 T1422 I1432Q1415-K1419 PolarHBondContact O-N 2.93Å; Q1416-K1419 WeakPolarHBondContact O-CB 3.47Å; Q1416-K1419 PolarHBondContact O-N 3.43Å; V1417-K1419 VanDerWaalsContact C-N 3.29Å; V1417-K1419 PolarHBondContact O-N 2.88Å; K1419-D1421 PolarHBondContact O-N 3.47Å; K1419-T1422 PolarHBondContact O-N 3.34Å; K1419-T1422 PolarHBondContact O-OG1 3.17Å; K1419-I1432 HydrophobicContact CB-CG2 4.49Å
1420G74.6Confident76Confident0 Ų063.8 Ų63.80%033%0.326CS..Hα-helixtrans-57.4-44.7175.700000113.1Q1416 V1417 T1422 I1423 R1429Q1416-G1420 PolarHBondContact O-N 3.26Å; V1417-G1420 PolarHBondContact O-N 3.47Å; G1420-T1422 PolarHBondContact O-N 3.39Å; G1420-I1423 PolarHBondContact O-N 3.17Å; G1420-R1429 WeakPolarHBondContact O-CD 3.29Å; G1420-R1429 VanDerWaalsContact O-CG 3.26Å; G1420-R1429 WeakPolarHBondContact O-CG 3.29Å
1421D74.4Confident75.8Confident42 Ų4266.5 Ų66.523%0.22534%0.341CS..THydrogen-bonded Turntrans-58.3-15.5179.2-82.2-15000113.9L1394 V1417 K1419 K1470L1394-D1421 WeakPolarHBondContact CD1-OD1 3.36Å; L1394-D1421 PolarHBondContact N-OD1 2.96Å; V1417-D1421 PolarHBondContact O-N 2.92Å; K1419-D1421 PolarHBondContact O-N 3.47Å; D1421-K1470 WeakPolarHBondContact OD2-CE 3Å; D1421-K1470 IonicContact OD2-NZ 3.24Å; D1421-K1470 PolarHBondContact OD2-NZ 2.88Å
1422T76.4Confident75.9Confident116 Ų11667.4 Ų67.471%0.71234%0.339SS*.THydrogen-bonded Turntrans-85.9-14177.265.50000114.2K1419 G1420K1419-T1422 PolarHBondContact O-N 3.34Å; K1419-T1422 PolarHBondContact O-OG1 3.17Å; G1420-T1422 PolarHBondContact O-N 3.39Å
1423I76.8Confident75.8Confident43 Ų4363.2 Ų63.222%0.22132%0.321CS..  trans-95.6131.9-173.4-61.2165.4000109.5G1420 D1425 S1428 R1429 I1432G1420-I1423 PolarHBondContact O-N 3.17Å; I1423-D1425 HydrophobicContact CG2-CB 4.43Å; I1423-S1428 WeakPolarHBondContact CG2-OG 3.38Å; I1423-R1429 HydrophobicContact CB-CB 4.28Å; I1423-R1429 HydrophobicContact CG2-CB 4.39Å; I1423-I1432 HydrophobicContact CD1-CB 4.29Å; I1423-I1432 HydrophobicContact CD1-CD1 3.29Å; I1423-I1432 HydrophobicContact CD1-CG1 4.35Å; I1423-I1432 HydrophobicContact CD1-CG2 4.36Å
1424K70.9Confident75.5Confident209 Ų20963.8 Ų63.891%0.90933%0.325SS*.SBendtrans-77.4-30.6-178.9-69.9-174.8177.6-178.90113.6
1425D72.8Confident75Confident86 Ų8664.8 Ų64.846%0.4633%0.332SS..SBendtrans-84.9121.1-174.5172.748.1000110.5I1423 D1427 S1428 R1429I1423-D1425 HydrophobicContact CG2-CB 4.43Å; D1425-D1427 PolarHBondContact O-N 3.15Å; D1425-S1428 VanDerWaalsContact CB-OG 3.25Å; D1425-S1428 WeakPolarHBondContact CB-OG 3.43Å; D1425-S1428 PolarHBondContact O-OG 2.96Å; D1425-S1428 VanDerWaalsContact O-OG 3.09Å; D1425-S1428 WeakPolarHBondContact OD2-CB 3.4Å; D1425-S1428 PolarHBondContact OD2-OG 3.4Å; D1425-R1429 WeakPolarHBondContact O-CB 3.34Å; D1425-R1429 PolarHBondContact O-N 3.33Å
1426P67.3Low74.1Confident69 Ų6964.5 Ų64.545%0.44833%0.331SS..Hα-helixtrans-64.1-36.5-169.223.8-34.7000113.7R1429 A1430P1426-R1429 PolarHBondContact O-N 3.2Å; P1426-A1430 PolarHBondContact O-N 3.17Å; P1426-A1430 VanDerWaalsContact O-N 3.1Å
1427D67.8Low72.6Confident103 Ų10368.5 Ų68.555%0.55136%0.359SS*.Hα-helixtrans-71.1-45.5-176.7-67.2-8000111.1D1425 A1430 L1431D1425-D1427 PolarHBondContact O-N 3.15Å; D1427-A1430 PolarHBondContact O-N 2.89Å; D1427-L1431 WeakPolarHBondContact O-CB 3.49Å; D1427-L1431 PolarHBondContact O-N 3.44Å
1428S74.9Confident70.9Confident33 Ų3378 Ų7823%0.23140%0.403CS..Hα-helixtrans-68.7-34.5175.252.60000112.5I1423 D1425 L1431 I1432I1423-S1428 WeakPolarHBondContact CG2-OG 3.38Å; D1425-S1428 VanDerWaalsContact CB-OG 3.25Å; D1425-S1428 WeakPolarHBondContact CB-OG 3.43Å; D1425-S1428 PolarHBondContact O-OG 2.96Å; D1425-S1428 VanDerWaalsContact O-OG 3.09Å; D1425-S1428 WeakPolarHBondContact OD2-CB 3.4Å; D1425-S1428 PolarHBondContact OD2-OG 3.4Å; S1428-L1431 PolarHBondContact O-N 3.06Å; S1428-I1432 WeakPolarHBondContact O-CB 3.45Å; S1428-I1432 WeakPolarHBondContact O-CG1 3.33Å; S1428-I1432 PolarHBondContact O-N 3.31Å
1429R77.4Confident69Low29 Ų2976 Ų7611%0.10941%0.412CS..Hα-helixtrans-59.9-44173.1174.5170.175.9177.83.5112.5D1392 L1394 G1420 I1423 D1425 P1426 A1433D1392-R1429 PolarHBondContact O-NH1 3.35Å; L1394-R1429 HydrophobicContact CD1-CG 3.57Å; L1394-R1429 HydrophobicContact CG-CG 4.15Å; G1420-R1429 WeakPolarHBondContact O-CD 3.29Å; G1420-R1429 VanDerWaalsContact O-CG 3.26Å; G1420-R1429 WeakPolarHBondContact O-CG 3.29Å; I1423-R1429 HydrophobicContact CB-CB 4.28Å; I1423-R1429 HydrophobicContact CG2-CB 4.39Å; D1425-R1429 WeakPolarHBondContact O-CB 3.34Å; D1425-R1429 PolarHBondContact O-N 3.33Å; P1426-R1429 PolarHBondContact O-N 3.2Å; R1429-A1433 PolarHBondContact O-N 2.94Å
1430A73.3Confident66.6Low13 Ų1381.9 Ų81.911%0.10743%0.431CS..Hα-helixtrans-72-41.1177.800000112.3P1426 D1427 A1433 V1434P1426-A1430 PolarHBondContact O-N 3.17Å; P1426-A1430 VanDerWaalsContact O-N 3.1Å; D1427-A1430 PolarHBondContact O-N 2.89Å; A1430-A1433 PolarHBondContact O-N 3.19Å; A1430-V1434 WeakPolarHBondContact O-CG2 3.42Å
1431L74.3Confident64.8Low85 Ų8591.7 Ų91.745%0.44547%0.474SS..Hα-helixtrans-61.4-46.4179.2-174.969.4000112.4D1427 S1428 A1433 V1434 S1435 P1988D1427-L1431 WeakPolarHBondContact O-CB 3.49Å; D1427-L1431 PolarHBondContact O-N 3.44Å; S1428-L1431 PolarHBondContact O-N 3.06Å; L1431-A1433 VanDerWaalsContact C-N 3.28Å; L1431-A1433 PolarHBondContact O-N 3.21Å; L1431-V1434 PolarHBondContact O-N 3.41Å; L1431-S1435 PolarHBondContact O-N 3.04Å; L1431-S1435 PolarHBondContact O-OG 2.7Å; L1431-P1988 HydrophobicContact CB-CG 4.35Å; L1431-P1988 HydrophobicContact CD1-CB 4.12Å; L1431-P1988 HydrophobicContact CD1-CG 4.18Å
1432I76.4Confident62.8Low61 Ų6195.9 Ų95.931%0.31350%0.504SS..Hα-helixtrans-67.9-29.7-178.9-74.7164.1000111.9K1419 I1423 S1428 V1434K1419-I1432 HydrophobicContact CB-CG2 4.49Å; I1423-I1432 HydrophobicContact CD1-CB 4.29Å; I1423-I1432 HydrophobicContact CD1-CD1 3.29Å; I1423-I1432 HydrophobicContact CD1-CG1 4.35Å; I1423-I1432 HydrophobicContact CD1-CG2 4.36Å; S1428-I1432 WeakPolarHBondContact O-CB 3.45Å; S1428-I1432 WeakPolarHBondContact O-CG1 3.33Å; S1428-I1432 PolarHBondContact O-N 3.31Å; I1432-V1434 PolarHBondContact O-N 3.18Å
1433A72.9Confident60.8Low2 Ų294.5 Ų94.52%0.01751%0.512CS..Hα-helixtrans-64.4-22.3173.200000112.8L1394 A1402 H1406 R1429 A1430 L1431L1394-A1433 HydrophobicContact CD2-CB 4.02Å; A1402-A1433 HydrophobicContact CB-CB 4.2Å; H1406-A1433 PolarHBondContact NE2-O 3.3Å; R1429-A1433 PolarHBondContact O-N 2.94Å; A1430-A1433 PolarHBondContact O-N 3.19Å; L1431-A1433 VanDerWaalsContact C-N 3.28Å; L1431-A1433 PolarHBondContact O-N 3.21Å
1434V73.2Confident58.8Low12 Ų1296 Ų967%0.07354%0.539CS..Hα-helixtrans-107.5-27.2-173.3-179.20000113.6Y1401 A1402 A1405 H1406 A1430 L1431 I1432 P1990Y1401-V1434 HydrophobicContact CD1-CG2 4.1Å; Y1401-V1434 HydrophobicContact CE1-CG2 4.02Å; A1402-V1434 HydrophobicContact CB-CG2 4.43Å; A1405-V1434 HydrophobicContact CB-CG1 3.82Å; H1406-V1434 PolarHBondContact CE1-O 3.13Å; A1430-V1434 WeakPolarHBondContact O-CG2 3.42Å; L1431-V1434 PolarHBondContact O-N 3.41Å; I1432-V1434 PolarHBondContact O-N 3.18Å; V1434-P1990 HydrophobicContact CG1-CG 4.23Å
1435S69.4Low57Low43 Ų4393.2 Ų93.230%0.30154%0.539SS..PPolyproline II helixtrans-79.9145.7-17859.30000115.3L1431L1431-S1435 PolarHBondContact O-N 3.04Å; L1431-S1435 PolarHBondContact O-OG 2.7Å
1436E60.2Low55Low125 Ų12598 Ų9858%0.58456%0.558SS**PPolyproline II helixtrans-85.9147.5166.4-72.3-165.6142.700111.7K1412K1412-E1436 IonicContact NZ-OE1 3.14Å; K1412-E1436 PolarHBondContact NZ-OE1 3.44Å
1437P49.9Very low53.4Low108 Ų108104 Ų10470%0.70158%0.581SS**PPolyproline II helixtrans-74.5136.5179.329.1-32.3000113.2
1438E45.5Very low51.7Low203 Ų203105.3 Ų105.395%0.94959%0.593SS**PPolyproline II helixtrans-58.5142.8179.3-66.3-176.5152.400114.4
1439A38.9Very low49.7Very low95 Ų95112.1 Ų112.179%0.78563%0.627SS**PPolyproline II helixtrans-84.7140.3-175.300000115
1440R31.4Very low47.3Very low242 Ų242113.9 Ų113.991%0.91365%0.654SS**  trans59114.3155.3-73.8-179.9174166.7-2.2119.8
1441K36.1Very low45.4Very low206 Ų206121.4 Ų121.490%0.89669%0.692SS**  trans-101132.9144.2-77.5-174177.4-179.50109.5
1442P34Very low43.6Very low131 Ų131126 Ų12685%0.85171%0.711SS**  trans-85.3137.3176.333.7-29.7000111
1443G33Very low41.9Very low87 Ų87130.5 Ų130.590%0.89774%0.736SS**  trans111.2110165.500000115.8
1444G34.6Very low40.3Very low75 Ų75139.6 Ų139.677%0.77378%0.778SS**  trans147.583.716800000114.7
1445T33.9Very low38.7Very low150 Ų150145.9 Ų145.992%0.9281%0.811SS**  trans24.3126.8158.2-0.80000122
1446E30.8Very low37.5Very low185 Ų185149.1 Ų149.186%0.86483%0.825SS**  trans-74.5128.7-175.3-59.6170.3153.500114
1447E33.1Very low36.6Very low196 Ų196152 Ų15292%0.91684%0.836SS**  trans-124.5125.2142.8-83.2-172168.500107.8
1448T31.8Very low36.2Very low131 Ų131153.9 Ų153.980%0.80484%0.84SS**  trans-74116-170.5360000113.6
1449D32.7Very low36.8Very low176 Ų176146.5 Ų146.594%0.94181%0.811SS**  trans-12788.2153.9-91.4-24.9000107.6
1450G28Very low37.6Very low66 Ų66148.7 Ų148.768%0.6880%0.803SS**  trans-121.8103.8172.800000109.3
1451D32.4Very low39.3Very low170 Ų170142.6 Ų142.691%0.90979%0.792SS**  trans-176.237.2161.1-94.3-17.8000113.2
1452E37.3Very low41Very low181 Ų181138.1 Ų138.185%0.84677%0.774SS**  trans-108.51.5-177-70.5-160.3160.100116.8E1454E1452-E1454 PolarHBondContact O-N 2.99Å
1453D39.9Very low42.6Very low156 Ų156132.8 Ų132.883%0.83474%0.74SS**THydrogen-bonded Turntrans-86.70.4-169-79.2-34.9000116.9
1454E39.3Very low44.4Very low194 Ų194131.3 Ų131.391%0.90771%0.714SS**THydrogen-bonded Turntrans-102.8-8.4178.7-74.1-155.1150.600116.3E1452 N1456E1452-E1454 PolarHBondContact O-N 2.99Å; E1454-N1456 PolarHBondContact O-N 2.95Å
1455D41.4Very low46.4Very low143 Ų143130.5 Ų130.577%0.76570%0.7SS**  trans-91.57.6-175.1-80.5-19.6000115.3K1457D1455-K1457 VanDerWaalsContact C-N 3.26Å; D1455-K1457 PolarHBondContact O-N 3.32Å
1456N43Very low48.6Very low111 Ų111128 Ų12859%0.59468%0.676SS**THydrogen-bonded Turntrans-77.515.5-164.9-142.1-7000116.7E1454 S1459E1454-N1456 PolarHBondContact O-N 2.95Å; N1456-S1459 PolarHBondContact OD1-OG 3.22Å
1457K40.7Very low51Low187 Ų187120.6 Ų120.681%0.81364%0.641SS**THydrogen-bonded Turntrans-104.1-31.2177.8-78.7-178.3-179.5171.90114.3D1455D1455-K1457 VanDerWaalsContact C-N 3.26Å; D1455-K1457 PolarHBondContact O-N 3.32Å
1458D43.4Very low53.2Low147 Ų147115 Ų11579%0.78662%0.617SS**THydrogen-bonded Turntrans-84-17.4180-70.8-13.3000112.1K1460D1458-K1460 PolarHBondContact O-N 3.45Å
1459S56.1Low55.7Low48 Ų48115.6 Ų115.634%0.33661%0.61SS.*Hα-helixtrans-69-23.7177.565.90000114.8N1456 S1463N1456-S1459 PolarHBondContact OD1-OG 3.22Å; S1459-S1463 WeakPolarHBondContact O-CB 3.32Å; S1459-S1463 PolarHBondContact O-N 2.87Å; S1459-S1463 PolarHBondContact O-OG 3.44Å
1460K57.1Low58Low140 Ų140110.4 Ų110.461%0.60958%0.579SS**Hα-helixtrans-71.2-34.6-174.5-70.1-170.6179.5-173.10114D1458 S1463 T1464D1458-K1460 PolarHBondContact O-N 3.45Å; K1460-S1463 WeakPolarHBondContact CA-OG 3.38Å; K1460-S1463 PolarHBondContact O-OG 3.18Å; K1460-T1464 WeakPolarHBondContact O-CB 3.41Å; K1460-T1464 PolarHBondContact O-N 2.95Å; K1460-T1464 VanDerWaalsContact O-N 3.08Å; K1460-T1464 PolarHBondContact O-OG1 3.27Å
1461V65.9Low60.6Low114 Ų114110.6 Ų110.669%0.69156%0.563SS**Hα-helixtrans-72.8-40.5179.1179.70000110.3T1464 A1465V1461-T1464 PolarHBondContact O-N 2.88Å; V1461-A1465 WeakPolarHBondContact O-CB 3.44Å; V1461-A1465 PolarHBondContact O-N 2.9Å
1462E72.5Confident63Low112 Ų112106.9 Ų106.952%0.52354%0.542SS..Hα-helixtrans-67.1-40.7177.1-169-178.1165.100112T1464 A1465 K1466E1462-T1464 VanDerWaalsContact C-N 3.35Å; E1462-A1465 PolarHBondContact O-N 3.24Å; E1462-K1466 HydrophobicContact CG-CD 4.39Å; E1462-K1466 WeakPolarHBondContact O-CB 3.4Å; E1462-K1466 WeakPolarHBondContact O-CG 3.46Å; E1462-K1466 PolarHBondContact O-N 3.09Å; E1462-K1466 WeakPolarHBondContact OE1-CE 3.1Å; E1462-K1466 IonicContact OE1-NZ 3.1Å; E1462-K1466 PolarHBondContact OE1-NZ 3.31Å
1463S67.4Low65.1Low20 Ų20100 Ų10014%0.1452%0.517CS..Hα-helixtrans-65.5-37.8175.165.90000112.1S1459 K1460 K1466 F1467S1459-S1463 WeakPolarHBondContact O-CB 3.32Å; S1459-S1463 PolarHBondContact O-N 2.87Å; S1459-S1463 PolarHBondContact O-OG 3.44Å; K1460-S1463 WeakPolarHBondContact CA-OG 3.38Å; K1460-S1463 PolarHBondContact O-OG 3.18Å; S1463-K1466 PolarHBondContact O-N 3.44Å; S1463-F1467 WeakPolarHBondContact O-CB 3.45Å; S1463-F1467 PolarHBondContact O-N 2.86Å
1464T71.1Confident67.1Low56 Ų5692.8 Ų92.834%0.34448%0.479SS..Hα-helixtrans-63.3-46.4174-51.60000112L1410 K1460 V1461 E1462 K1466 F1467 I1468L1410-T1464 HydrophobicContact CD1-CG2 3.84Å; L1410-T1464 WeakPolarHBondContact CD1-OG1 3.42Å; K1460-T1464 WeakPolarHBondContact O-CB 3.41Å; K1460-T1464 PolarHBondContact O-N 2.95Å; K1460-T1464 VanDerWaalsContact O-N 3.08Å; K1460-T1464 PolarHBondContact O-OG1 3.27Å; V1461-T1464 PolarHBondContact O-N 2.88Å; E1462-T1464 VanDerWaalsContact C-N 3.35Å; T1464-K1466 PolarHBondContact O-N 2.85Å; T1464-F1467 PolarHBondContact O-N 2.89Å; T1464-I1468 HydrophobicContact CG2-CD1 4.06Å; T1464-I1468 WeakPolarHBondContact O-CG1 3.48Å; T1464-I1468 PolarHBondContact O-N 3.38Å
1465A76Confident69.1Low57 Ų5785.8 Ų85.847%0.47145%0.454SS..Hα-helixtrans-63.4-41.5178.700000112.2V1461 E1462 I1468 Q1469V1461-A1465 WeakPolarHBondContact O-CB 3.44Å; V1461-A1465 PolarHBondContact O-N 2.9Å; E1462-A1465 PolarHBondContact O-N 3.24Å; A1465-I1468 PolarHBondContact O-N 2.98Å; A1465-Q1469 WeakPolarHBondContact O-CB 3.5Å; A1465-Q1469 PolarHBondContact O-N 3.24Å
1466K79.9Confident71.2Confident99 Ų9981.9 Ų81.943%0.4343%0.433SS..Hα-helixtrans-64.9-38.7176.1-74.3176.5-176.1167.60112.5E1462 S1463 T1464 K1470E1462-K1466 HydrophobicContact CG-CD 4.39Å; E1462-K1466 WeakPolarHBondContact O-CB 3.4Å; E1462-K1466 WeakPolarHBondContact O-CG 3.46Å; E1462-K1466 PolarHBondContact O-N 3.09Å; E1462-K1466 WeakPolarHBondContact OE1-CE 3.1Å; E1462-K1466 IonicContact OE1-NZ 3.1Å; E1462-K1466 PolarHBondContact OE1-NZ 3.31Å; S1463-K1466 PolarHBondContact O-N 3.44Å; T1464-K1466 PolarHBondContact O-N 2.85Å; K1466-K1470 PolarHBondContact O-N 3.22Å; K1466-K1470 VanDerWaalsContact O-N 3.12Å
1467F81.4Confident73.1Confident29 Ų2977 Ų7713%0.12741%0.407CS..Hα-helixtrans-63.1-48.6175.1178.8-97.1000111.7I1399 A1403 L1410 V1414 S1463 T1464 Q1469 K1470 M1471I1399-F1467 HydrophobicContact CG2-CD2 4.38Å; I1399-F1467 HydrophobicContact CG2-CE2 3.51Å; I1399-F1467 HydrophobicContact CG2-CZ 3.95Å; A1403-F1467 HydrophobicContact CB-CE2 3.98Å; A1403-F1467 HydrophobicContact CB-CZ 3.87Å; L1410-F1467 HydrophobicContact CD2-CB 4.47Å; L1410-F1467 HydrophobicContact CD2-CD1 4.03Å; L1410-F1467 HydrophobicContact CD2-CD2 4.19Å; L1410-F1467 HydrophobicContact CD2-CE1 4.31Å; L1410-F1467 HydrophobicContact CD2-CE2 4.44Å; L1410-F1467 HydrophobicContact CD2-CG 3.97Å; V1414-F1467 HydrophobicContact CG2-CB 3.83Å; V1414-F1467 HydrophobicContact CG2-CD2 4.03Å; V1414-F1467 HydrophobicContact CG2-CG 4.45Å; S1463-F1467 WeakPolarHBondContact O-CB 3.45Å; S1463-F1467 PolarHBondContact O-N 2.86Å; T1464-F1467 PolarHBondContact O-N 2.89Å; F1467-Q1469 PolarHBondContact O-N 3.37Å; F1467-K1470 PolarHBondContact O-N 2.92Å; F1467-M1471 PolarHBondContact O-N 3.38Å
1468I80Confident75.1Confident79 Ų7971.2 Ų71.241%0.40538%0.384SS..Hα-helixtrans-61.6-44.3178.1-66.8169.8000111.2T1464 A1465 K1470 M1471 I1472T1464-I1468 HydrophobicContact CG2-CD1 4.06Å; T1464-I1468 WeakPolarHBondContact O-CG1 3.48Å; T1464-I1468 PolarHBondContact O-N 3.38Å; A1465-I1468 PolarHBondContact O-N 2.98Å; I1468-K1470 VanDerWaalsContact C-N 3.33Å; I1468-K1470 PolarHBondContact O-N 3.41Å; I1468-M1471 PolarHBondContact O-N 3.33Å; I1468-I1472 HydrophobicContact CG2-CD1 3.81Å; I1468-I1472 HydrophobicContact CG2-CG1 4.42Å; I1468-I1472 WeakPolarHBondContact O-CG1 3.38Å; I1468-I1472 PolarHBondContact O-N 3.37Å
1469Q83.3Confident77.1Confident142 Ų14266.8 Ų66.866%0.66436%0.364SS*.Hα-helixtrans-59.7-42.1177.9-175.1-177.5-200111.9A1465 F1467 A1473A1465-Q1469 WeakPolarHBondContact O-CB 3.5Å; A1465-Q1469 PolarHBondContact O-N 3.24Å; F1467-Q1469 PolarHBondContact O-N 3.37Å; Q1469-A1473 WeakPolarHBondContact O-CB 3.47Å; Q1469-A1473 PolarHBondContact O-N 3.14Å; Q1469-A1473 VanDerWaalsContact O-N 3.1Å
1470K82.2Confident78.5Confident68 Ų6864.6 Ų64.630%0.29635%0.349SS..Hα-helixtrans-67.2-39.1177.6-177.866174.6-176.70111.9D1421 K1466 F1467 I1468 S1474D1421-K1470 WeakPolarHBondContact OD2-CE 3Å; D1421-K1470 IonicContact OD2-NZ 3.24Å; D1421-K1470 PolarHBondContact OD2-NZ 2.88Å; K1466-K1470 PolarHBondContact O-N 3.22Å; K1466-K1470 VanDerWaalsContact O-N 3.12Å; F1467-K1470 PolarHBondContact O-N 2.92Å; I1468-K1470 VanDerWaalsContact C-N 3.33Å; I1468-K1470 PolarHBondContact O-N 3.41Å; K1470-S1474 WeakPolarHBondContact O-CB 3.37Å; K1470-S1474 PolarHBondContact O-N 3.07Å
1471M81.9Confident79.6Confident70 Ų7059.3 Ų59.335%0.34533%0.328SS..Hα-helixtrans-63.9-44.9176.6-171.5-17669.300112.2F1467 I1468 S1474 A1475F1467-M1471 PolarHBondContact O-N 3.38Å; I1468-M1471 PolarHBondContact O-N 3.33Å; M1471-S1474 PolarHBondContact O-N 3.47Å; M1471-A1475 PolarHBondContact O-N 3.44Å; M1471-A1475 VanDerWaalsContact O-N 3.09Å
1472I82.5Confident80.2Confident91 Ų9157.4 Ų57.447%0.46732%0.317SS..Hα-helixtrans-65.8-42.8178.1-66.5170.6000111.3I1468 S1474 A1475 L1476I1468-I1472 HydrophobicContact CG2-CD1 3.81Å; I1468-I1472 HydrophobicContact CG2-CG1 4.42Å; I1468-I1472 WeakPolarHBondContact O-CG1 3.38Å; I1468-I1472 PolarHBondContact O-N 3.37Å; I1472-S1474 VanDerWaalsContact C-N 3.32Å; I1472-S1474 PolarHBondContact O-N 3.42Å; I1472-A1475 PolarHBondContact O-N 3.43Å; I1472-L1476 HydrophobicContact CG2-CD1 4.01Å; I1472-L1476 HydrophobicContact CG2-CG 4.32Å; I1472-L1476 WeakPolarHBondContact O-CG 3.21Å; I1472-L1476 PolarHBondContact O-N 3.02Å
1473A82.5Confident80.8Confident37 Ų3753.9 Ų53.931%0.30630%0.302SS..Hα-helixtrans-61.8-40.4177.200000112.1Q1469 D1477Q1469-A1473 WeakPolarHBondContact O-CB 3.47Å; Q1469-A1473 PolarHBondContact O-N 3.14Å; Q1469-A1473 VanDerWaalsContact O-N 3.1Å; A1473-D1477 WeakPolarHBondContact O-CB 3.28Å; A1473-D1477 PolarHBondContact O-N 3.05Å
1474S81Confident81.5Confident5 Ų553.6 Ų53.64%0.03530%0.298CS..Hα-helixtrans-60.7-46174.8-178.80000111.7Y1391 L1394 K1470 M1471 I1472 D1477 L1478Y1391-S1474 VanDerWaalsContact OH-CA 3.29Å; Y1391-S1474 WeakPolarHBondContact OH-CA 3.46Å; Y1391-S1474 WeakPolarHBondContact OH-CB 3.21Å; Y1391-S1474 PolarHBondContact OH-O 3.39Å; Y1391-S1474 PolarHBondContact OH-OG 3.07Å; L1394-S1474 PolarHBondContact O-OG 2.96Å; K1470-S1474 WeakPolarHBondContact O-CB 3.37Å; K1470-S1474 PolarHBondContact O-N 3.07Å; M1471-S1474 PolarHBondContact O-N 3.47Å; I1472-S1474 VanDerWaalsContact C-N 3.32Å; I1472-S1474 PolarHBondContact O-N 3.42Å; S1474-D1477 PolarHBondContact O-N 3.27Å; S1474-L1478 WeakPolarHBondContact O-CB 3.23Å; S1474-L1478 PolarHBondContact O-N 3.21Å
1475A82Confident81.7Confident47 Ų4755.5 Ų55.539%0.38830%0.302SS..Hα-helixtrans-67.4-40.6178.500000114M1471 I1472 L1478 C1479M1471-A1475 PolarHBondContact O-N 3.44Å; M1471-A1475 VanDerWaalsContact O-N 3.09Å; I1472-A1475 PolarHBondContact O-N 3.43Å; A1475-L1478 PolarHBondContact O-N 2.94Å; A1475-C1479 WeakPolarHBondContact O-CB 3.36Å; A1475-C1479 PolarHBondContact O-N 3.38Å
1476L86.1Confident81.7Confident61 Ų6158.3 Ų58.332%0.31931%0.308SS..Hα-helixtrans-65.9-40.4176.4-71.8175.2000111.8I1472 C1479 S1480 L1560I1472-L1476 HydrophobicContact CG2-CD1 4.01Å; I1472-L1476 HydrophobicContact CG2-CG 4.32Å; I1472-L1476 WeakPolarHBondContact O-CG 3.21Å; I1472-L1476 PolarHBondContact O-N 3.02Å; L1476-C1479 PolarHBondContact O-N 3.04Å; L1476-S1480 VanDerWaalsContact O-CB 3.29Å; L1476-S1480 WeakPolarHBondContact O-CB 3.19Å; L1476-S1480 PolarHBondContact O-N 3.35Å; L1476-S1480 PolarHBondContact O-OG 3.12Å; L1476-L1560 HydrophobicContact CD2-CD2 3.9Å
1477D82.6Confident81.9Confident8 Ų853.6 Ų53.64%0.04329%0.288CS..Hα-helixtrans-64.4-46.1176-80-10.7000110.3Y1391 R1393 A1473 S1474 C1479 S1480 V1481 S1556 R1559Y1391-D1477 HydrophobicContact CE2-CB 4.07Å; R1393-D1477 IonicContact CZ-OD2 3.28Å; R1393-D1477 IonicContact NH1-OD2 3.63Å; R1393-D1477 PolarHBondContact NH1-OD2 3.48Å; A1473-D1477 WeakPolarHBondContact O-CB 3.28Å; A1473-D1477 PolarHBondContact O-N 3.05Å; S1474-D1477 PolarHBondContact O-N 3.27Å; D1477-C1479 PolarHBondContact O-N 3.3Å; D1477-S1480 PolarHBondContact O-N 2.68Å; D1477-S1480 PolarHBondContact O-OG 3.35Å; D1477-V1481 WeakPolarHBondContact O-CG2 3.21Å; D1477-V1481 PolarHBondContact O-N 2.95Å; D1477-S1556 WeakPolarHBondContact OD1-CB 3.2Å; D1477-S1556 PolarHBondContact OD1-OG 3.32Å; D1477-R1559 IonicContact OD1-NH1 3.14Å
1478L83Confident81.8Confident65 Ų6554.3 Ų54.334%0.3429%0.29SS..Hα-helixtrans-55.9-48.7175.4-178.764.2000112.1Y1391 S1474 A1475 S1480 V1481 T1482Y1391-L1478 HydrophobicContact CD2-CD1 4.43Å; Y1391-L1478 HydrophobicContact CE2-CB 4.37Å; Y1391-L1478 HydrophobicContact CG-CD1 4.28Å; S1474-L1478 WeakPolarHBondContact O-CB 3.23Å; S1474-L1478 PolarHBondContact O-N 3.21Å; A1475-L1478 PolarHBondContact O-N 2.94Å; L1478-S1480 PolarHBondContact O-N 3.1Å; L1478-V1481 PolarHBondContact O-N 3.03Å; L1478-T1482 WeakPolarHBondContact O-CG2 3.41Å; L1478-T1482 PolarHBondContact O-N 3.48Å; L1478-T1482 VanDerWaalsContact O-N 3.08Å; L1478-T1482 PolarHBondContact O-OG1 3.43Å
1479C84.4Confident81.7Confident55 Ų5553.8 Ų53.837%0.37229%0.285SS..Hα-helixtrans-65.2-38177.5-1780000112.8A1475 L1476 D1477 V1481 T1482 L1483 L1560A1475-C1479 WeakPolarHBondContact O-CB 3.36Å; A1475-C1479 PolarHBondContact O-N 3.38Å; L1476-C1479 PolarHBondContact O-N 3.04Å; D1477-C1479 PolarHBondContact O-N 3.3Å; C1479-V1481 VanDerWaalsContact C-N 3.35Å; C1479-T1482 WeakPolarHBondContact CA-OG1 3.17Å; C1479-T1482 PolarHBondContact O-N 3.26Å; C1479-T1482 PolarHBondContact O-OG1 3.43Å; C1479-L1483 PolarHBondContact O-N 3.46Å; C1479-L1483 VanDerWaalsContact O-N 3.11Å; C1479-L1560 HydrophobicContact CB-CD1 4.41Å
1480S85.5Confident81.7Confident1 Ų148.4 Ų48.41%0.00726%0.26CS..Hα-helixtrans-65.4-39.3177.478.10000111.6L1476 D1477 L1478 N1484L1476-S1480 VanDerWaalsContact O-CB 3.29Å; L1476-S1480 WeakPolarHBondContact O-CB 3.19Å; L1476-S1480 PolarHBondContact O-N 3.35Å; L1476-S1480 PolarHBondContact O-OG 3.12Å; D1477-S1480 PolarHBondContact O-N 2.68Å; D1477-S1480 PolarHBondContact O-OG 3.35Å; L1478-S1480 PolarHBondContact O-N 3.1Å; S1480-N1484 WeakPolarHBondContact O-CB 3.5Å; S1480-N1484 PolarHBondContact O-N 3.18Å
1481V81.1Confident81.8Confident29 Ų2946.9 Ų46.918%0.17625%0.253CS..Hα-helixtrans-68-42.41781730000110.9T1389 D1477 L1478 C1479 N1484 K1485 W1551T1389-V1481 WeakPolarHBondContact O-CG1 3.21Å; D1477-V1481 WeakPolarHBondContact O-CG2 3.21Å; D1477-V1481 PolarHBondContact O-N 2.95Å; L1478-V1481 PolarHBondContact O-N 3.03Å; C1479-V1481 VanDerWaalsContact C-N 3.35Å; V1481-N1484 PolarHBondContact O-N 3.08Å; V1481-K1485 PolarHBondContact O-N 3.02Å; V1481-W1551 HydrophobicContact CG2-CH2 4.01Å; V1481-W1551 HydrophobicContact CG2-CZ3 4.41Å
1482T77.9Confident82Confident74 Ų7443.7 Ų43.745%0.45424%0.237SC..Hα-helixtrans-65-44.4179.1560000112.7L1478 C1479 N1484 K1485 L1486L1478-T1482 WeakPolarHBondContact O-CG2 3.41Å; L1478-T1482 PolarHBondContact O-N 3.48Å; L1478-T1482 VanDerWaalsContact O-N 3.08Å; L1478-T1482 PolarHBondContact O-OG1 3.43Å; C1479-T1482 WeakPolarHBondContact CA-OG1 3.17Å; C1479-T1482 PolarHBondContact O-N 3.26Å; C1479-T1482 PolarHBondContact O-OG1 3.43Å; T1482-N1484 VanDerWaalsContact C-N 3.35Å; T1482-K1485 WeakPolarHBondContact O-CB 3.45Å; T1482-K1485 PolarHBondContact O-N 2.99Å; T1482-L1486 PolarHBondContact O-N 3.02Å
1483L84.5Confident82.2Confident39 Ų3939.7 Ų39.720%0.20422%0.217CC..Hα-helixtrans-65.1-39.6174.8-75.1172.4000111.9C1479 K1485 L1486 C1487 L1560 A1563 V1564C1479-L1483 PolarHBondContact O-N 3.46Å; C1479-L1483 VanDerWaalsContact O-N 3.11Å; L1483-K1485 VanDerWaalsContact C-N 3.28Å; L1483-K1485 PolarHBondContact O-N 3.48Å; L1483-L1486 PolarHBondContact O-N 3.08Å; L1483-L1486 VanDerWaalsContact O-N 3.14Å; L1483-C1487 PolarHBondContact O-N 2.98Å; L1483-C1487 PolarHBondContact O-SG 3.1Å; L1483-L1560 HydrophobicContact CD1-CD1 3.78Å; L1483-A1563 HydrophobicContact CB-CB 3.83Å; L1483-V1564 HydrophobicContact CD1-CG2 3.77Å
1484N83.2Confident82.3Confident13 Ų1339.5 Ų39.57%0.0722%0.218CC..Hα-helixtrans-65.8-31.8179.9-161.633.6000112.1S1480 V1481 T1482 L1486 C1487 R1491 W1551 A1563S1480-N1484 WeakPolarHBondContact O-CB 3.5Å; S1480-N1484 PolarHBondContact O-N 3.18Å; V1481-N1484 PolarHBondContact O-N 3.08Å; T1482-N1484 VanDerWaalsContact C-N 3.35Å; N1484-L1486 VanDerWaalsContact C-N 3.35Å; N1484-C1487 PolarHBondContact O-N 3.34Å; N1484-R1491 PolarHBondContact ND2-NH1 3.49Å; N1484-R1491 WeakPolarHBondContact OD1-CD 3.31Å; N1484-R1491 PolarHBondContact OD1-NH1 2.93Å; N1484-W1551 HydrophobicContact CB-CH2 4.32Å; N1484-W1551 HydrophobicContact CB-CZ2 3.99Å; N1484-W1551 VanDerWaalsContact ND2-CD2 3.29Å; N1484-W1551 VanDerWaalsContact ND2-CE2 3.32Å; N1484-W1551 VanDerWaalsContact ND2-CE3 3.34Å; N1484-W1551 WeakPolarHBondContact ND2-CH2 3.27Å; N1484-W1551 WeakPolarHBondContact ND2-CZ2 3.48Å; N1484-W1551 WeakPolarHBondContact ND2-CZ3 3.47Å; N1484-A1563 HydrophobicContact CB-CB 4.46Å
1485K75.8Confident82.6Confident96 Ų9640.9 Ų40.942%0.41722%0.224SC..Hα-helixtrans-61.9-39.7171.5-172.5174.4179.5175.50111.9E1383 T1389 V1481 T1482 L1483 C1487E1383-K1485 IonicContact OE1-NZ 3.32Å; E1383-K1485 PolarHBondContact OE1-NZ 3.39Å; E1383-K1485 IonicContact OE2-NZ 2.63Å; T1389-K1485 HydrophobicContact CG2-CB 4.3Å; T1389-K1485 HydrophobicContact CG2-CD 4.5Å; T1389-K1485 HydrophobicContact CG2-CG 4.28Å; V1481-K1485 PolarHBondContact O-N 3.02Å; T1482-K1485 WeakPolarHBondContact O-CB 3.45Å; T1482-K1485 PolarHBondContact O-N 2.99Å; L1483-K1485 VanDerWaalsContact C-N 3.28Å; L1483-K1485 PolarHBondContact O-N 3.48Å; K1485-C1487 VanDerWaalsContact C-N 3.29Å; K1485-C1487 PolarHBondContact O-N 3.01Å
1486L75.6Confident82.8Confident116 Ų11638.7 Ų38.761%0.60721%0.205SC*.Hα-helixtrans-70.5-21.5178.5-64.4172.7000113.7T1482 L1483 N1484T1482-L1486 PolarHBondContact O-N 3.02Å; L1483-L1486 PolarHBondContact O-N 3.08Å; L1483-L1486 VanDerWaalsContact O-N 3.14Å; N1484-L1486 VanDerWaalsContact C-N 3.35Å
1487C82.7Confident82.9Confident1 Ų136.3 Ų36.31%0.00719%0.193CC..THydrogen-bonded Turntrans-109.314.4-171.1-48.50000114L1483 N1484 K1485 E1489 H1490 R1491 N1566 C1567L1483-C1487 PolarHBondContact O-N 2.98Å; L1483-C1487 PolarHBondContact O-SG 3.1Å; N1484-C1487 PolarHBondContact O-N 3.34Å; K1485-C1487 VanDerWaalsContact C-N 3.29Å; K1485-C1487 PolarHBondContact O-N 3.01Å; C1487-E1489 PolarHBondContact O-N 2.89Å; C1487-H1490 PolarHBondContact O-N 2.93Å; C1487-R1491 WeakPolarHBondContact O-CB 3.44Å; C1487-R1491 PolarHBondContact O-N 2.91Å; C1487-R1491 VanDerWaalsContact O-N 3.08Å; C1487-N1566 HydrophobicContact CB-CB 4.12Å; C1487-C1567 WeakPolarHBondContact SG-CA 3.31Å; C1487-C1567 WeakPolarHBondContact SG-CB 3.45Å; C1487-C1567 PolarHBondContact SG-N 2.79Å
1488R78.9Confident83Confident44 Ų4438.5 Ų38.517%0.16621%0.209CC..Hα-helixtrans-52-53.1-170-178.2179.471.6162.2-0.1112.4E1308 V1384 R1491 Y1492E1308-R1488 IonicContact OE1-CZ 3.77Å; E1308-R1488 IonicContact OE1-NH2 3.72Å; E1308-R1488 PolarHBondContact OE1-NH2 2.8Å; V1384-R1488 VanDerWaalsContact CB-NH1 3.26Å; V1384-R1488 PolarHBondContact O-NH1 3.42Å; R1488-R1491 PolarHBondContact O-N 2.82Å; R1488-Y1492 WeakPolarHBondContact O-CB 3.41Å; R1488-Y1492 PolarHBondContact O-N 3.41Å
1489E78.2Confident83.3Confident67 Ų6739.5 Ų39.531%0.31321%0.211SC..Hα-helixtrans-58.9-52.3-175.7-52.3-179.2-16900112.1L1304 C1487 R1491 Y1492 V1493L1304-E1489 HydrophobicContact CD2-CB 3.7Å; L1304-E1489 HydrophobicContact CD2-CG 3.6Å; C1487-E1489 PolarHBondContact O-N 2.89Å; E1489-R1491 VanDerWaalsContact C-N 3.35Å; E1489-R1491 PolarHBondContact O-N 3.05Å; E1489-Y1492 PolarHBondContact O-N 3.48Å; E1489-V1493 WeakPolarHBondContact O-CG2 3.45Å; E1489-V1493 PolarHBondContact O-N 2.89Å
1490H84.3Confident83.5Confident30 Ų3037 Ų3714%0.13919%0.193CC..Hα-helixtrans-64.4-40.2-177.2176.8-95000111.9C1487 G1494 N1566 A1570 M1684C1487-H1490 PolarHBondContact O-N 2.93Å; H1490-G1494 PolarHBondContact O-N 3.46Å; H1490-N1566 PolarHBondContact ND1-O 3.33Å; H1490-A1570 HydrophobicContact CB-CB 3.58Å; H1490-M1684 WeakPolarHBondContact NE2-CE 3.24Å
1491R84.3Confident83.6Confident35 Ų3537.7 Ų37.713%0.13220%0.196CC..Hα-helixtrans-64.8-44.6177.7-177.2-169.762.8168.96111.4N1484 C1487 R1488 E1489 F1495 V1547N1484-R1491 PolarHBondContact ND2-NH1 3.49Å; N1484-R1491 WeakPolarHBondContact OD1-CD 3.31Å; N1484-R1491 PolarHBondContact OD1-NH1 2.93Å; C1487-R1491 WeakPolarHBondContact O-CB 3.44Å; C1487-R1491 PolarHBondContact O-N 2.91Å; C1487-R1491 VanDerWaalsContact O-N 3.08Å; R1488-R1491 PolarHBondContact O-N 2.82Å; E1489-R1491 VanDerWaalsContact C-N 3.35Å; E1489-R1491 PolarHBondContact O-N 3.05Å; R1491-F1495 WeakPolarHBondContact O-CB 3.41Å; R1491-F1495 PolarHBondContact O-N 3.06Å; R1491-V1547 VanDerWaalsContact CD-CG1 3.5Å; R1491-V1547 HydrophobicContact CG-CG1 3.62Å
1492Y85.4Confident83.9Confident4 Ų440.1 Ų40.12%0.01621%0.206CC..Hα-helixtrans-58.4-54.9175.9170.7-97.7000111.1R1488 E1489 G1494 F1495 V1496 V1534 V1540 M1543 E1544R1488-Y1492 WeakPolarHBondContact O-CB 3.41Å; R1488-Y1492 PolarHBondContact O-N 3.41Å; E1489-Y1492 PolarHBondContact O-N 3.48Å; Y1492-G1494 PolarHBondContact O-N 2.93Å; Y1492-F1495 PolarHBondContact O-N 3.42Å; Y1492-V1496 HydrophobicContact CD2-CG2 4.4Å; Y1492-V1496 HydrophobicContact CE1-CG2 4.28Å; Y1492-V1496 HydrophobicContact CE2-CG2 4.07Å; Y1492-V1496 WeakPolarHBondContact O-CG2 3.38Å; Y1492-V1496 PolarHBondContact O-N 3.31Å; Y1492-V1534 WeakPolarHBondContact OH-CG1 3.39Å; Y1492-V1534 VanDerWaalsContact OH-CG2 3.25Å; Y1492-V1534 WeakPolarHBondContact OH-CG2 3.42Å; Y1492-V1540 HydrophobicContact CE1-CG1 4.47Å; Y1492-V1540 HydrophobicContact CE2-CG1 4.06Å; Y1492-V1540 WeakPolarHBondContact OH-CA 3.47Å; Y1492-M1543 HydrophobicContact CD2-CB 4.44Å; Y1492-M1543 HydrophobicContact CE2-CB 3.64Å; Y1492-E1544 HydrophobicContact CD2-CG 3.51Å; Y1492-E1544 HydrophobicContact CE2-CG 3.84Å; Y1492-E1544 HydrophobicContact CG-CG 4.35Å
1493V86.1Confident84.4Confident6 Ų641.2 Ų41.24%0.03620%0.204CC..Hα-helixtrans-60.8-44.3-179.4176.70000111.3L1300 E1489 F1495 V1496 L1497 L1688L1300-V1493 HydrophobicContact CB-CG1 4.43Å; L1300-V1493 HydrophobicContact CB-CG2 4.08Å; L1300-V1493 HydrophobicContact CD1-CG1 4.36Å; E1489-V1493 WeakPolarHBondContact O-CG2 3.45Å; E1489-V1493 PolarHBondContact O-N 2.89Å; V1493-F1495 PolarHBondContact O-N 2.9Å; V1493-V1496 PolarHBondContact O-N 2.91Å; V1493-L1497 HydrophobicContact CG1-CD1 3.86Å; V1493-L1497 HydrophobicContact CG1-CG 4.34Å; V1493-L1497 WeakPolarHBondContact O-CB 3.35Å; V1493-L1497 VanDerWaalsContact O-CG 3.3Å; V1493-L1497 WeakPolarHBondContact O-CG 3.47Å; V1493-L1497 PolarHBondContact O-N 2.96Å; V1493-L1688 HydrophobicContact CG1-CD2 3.84Å
1494G85.1Confident84.5Confident33 Ų3339.3 Ų39.334%0.3419%0.194SC..Hα-helixtrans-62-40.2178.900000113.4H1490 Y1492 S1498H1490-G1494 PolarHBondContact O-N 3.46Å; Y1492-G1494 PolarHBondContact O-N 2.93Å; G1494-S1498 WeakPolarHBondContact O-CB 3.41Å; G1494-S1498 PolarHBondContact O-N 3.45Å
1495F86.7Confident84.7Confident35 Ų3539.5 Ų39.515%0.15419%0.194CC..Hα-helixtrans-68-48.7177.3-178.2-97.9000112.2R1491 Y1492 V1493 L1497 S1498 K1499 M1543 A1546 V1547 D1550R1491-F1495 WeakPolarHBondContact O-CB 3.41Å; R1491-F1495 PolarHBondContact O-N 3.06Å; Y1492-F1495 PolarHBondContact O-N 3.42Å; V1493-F1495 PolarHBondContact O-N 2.9Å; F1495-L1497 VanDerWaalsContact C-N 3.32Å; F1495-L1497 PolarHBondContact O-N 3.44Å; F1495-S1498 PolarHBondContact O-N 3.45Å; F1495-S1498 PolarHBondContact O-OG 3.09Å; F1495-K1499 HydrophobicContact CD1-CG 4.4Å; F1495-K1499 HydrophobicContact CE1-CG 4.08Å; F1495-K1499 HydrophobicContact CZ-CG 4.23Å; F1495-K1499 PolarHBondContact O-N 2.74Å; F1495-K1499 VanDerWaalsContact O-N 3.07Å; F1495-M1543 HydrophobicContact CD1-CE 4.02Å; F1495-M1543 HydrophobicContact CE1-CE 3.96Å; F1495-A1546 HydrophobicContact CE1-CB 4.26Å; F1495-V1547 HydrophobicContact CB-CG2 3.56Å; F1495-V1547 HydrophobicContact CD1-CG2 3.34Å; F1495-V1547 HydrophobicContact CD2-CG2 4.19Å; F1495-V1547 HydrophobicContact CE1-CG2 4Å; F1495-V1547 HydrophobicContact CG-CG2 3.44Å; F1495-V1547 VanDerWaalsContact CG-CG2 3.44Å; F1495-D1550 HydrophobicContact CE2-CB 4.24Å
1496V88Confident85.1Confident0 Ų039.3 Ų39.30%021%0.205CC..Hα-helixtrans-56.8-48.2177177.70000110.1L1300 Y1492 V1493 S1498 K1499 E1500 L1533 V1534 M1543L1300-V1496 HydrophobicContact CD1-CB 3.93Å; L1300-V1496 HydrophobicContact CD1-CG1 3.63Å; L1300-V1496 HydrophobicContact CD2-CG1 4.22Å; Y1492-V1496 HydrophobicContact CD2-CG2 4.4Å; Y1492-V1496 HydrophobicContact CE1-CG2 4.28Å; Y1492-V1496 HydrophobicContact CE2-CG2 4.07Å; Y1492-V1496 WeakPolarHBondContact O-CG2 3.38Å; Y1492-V1496 PolarHBondContact O-N 3.31Å; V1493-V1496 PolarHBondContact O-N 2.91Å; V1496-S1498 VanDerWaalsContact C-N 3.34Å; V1496-S1498 PolarHBondContact O-N 2.92Å; V1496-K1499 PolarHBondContact O-N 3.42Å; V1496-K1499 VanDerWaalsContact O-N 3.15Å; V1496-E1500 HydrophobicContact CG1-CG 4.29Å; V1496-E1500 WeakPolarHBondContact O-CG 3.46Å; V1496-E1500 PolarHBondContact O-N 3.4Å; V1496-L1533 HydrophobicContact CG1-CB 4.39Å; V1496-V1534 HydrophobicContact CG1-CG2 4.09Å; V1496-V1534 HydrophobicContact CG2-CG2 4.24Å; V1496-M1543 HydrophobicContact CB-CE 4.41Å; V1496-M1543 HydrophobicContact CG2-CB 4.34Å; V1496-M1543 HydrophobicContact CG2-CE 3.76Å
1497L87Confident85.4Confident12 Ų1236.4 Ų36.46%0.06320%0.203CC..Hα-helixtrans-60.8-39.9177.9-74.1174.9000112.8R1296 L1300 V1493 F1495 K1499 E1500 K1501 L1688R1296-L1497 HydrophobicContact CB-CD2 3.96Å; R1296-L1497 HydrophobicContact CG-CD2 4.03Å; L1300-L1497 HydrophobicContact CD1-CG 4.47Å; V1493-L1497 HydrophobicContact CG1-CD1 3.86Å; V1493-L1497 HydrophobicContact CG1-CG 4.34Å; V1493-L1497 WeakPolarHBondContact O-CB 3.35Å; V1493-L1497 VanDerWaalsContact O-CG 3.3Å; V1493-L1497 WeakPolarHBondContact O-CG 3.47Å; V1493-L1497 PolarHBondContact O-N 2.96Å; F1495-L1497 VanDerWaalsContact C-N 3.32Å; F1495-L1497 PolarHBondContact O-N 3.44Å; L1497-K1499 VanDerWaalsContact C-N 3.32Å; L1497-K1499 PolarHBondContact O-N 3.18Å; L1497-E1500 PolarHBondContact O-N 3.27Å; L1497-K1501 WeakPolarHBondContact O-CB 3.28Å; L1497-K1501 VanDerWaalsContact O-CG 3.28Å; L1497-K1501 WeakPolarHBondContact O-CG 3.32Å; L1497-K1501 PolarHBondContact O-N 2.86Å; L1497-L1688 HydrophobicContact CD1-CD2 4Å
1498S85.9Confident85.4Confident54 Ų5439.3 Ų39.338%0.37822%0.216SC..Hα-helixtrans-63-38.2176.573.40000112.6G1494 F1495 V1496 Q1502G1494-S1498 WeakPolarHBondContact O-CB 3.41Å; G1494-S1498 PolarHBondContact O-N 3.45Å; F1495-S1498 PolarHBondContact O-N 3.45Å; F1495-S1498 PolarHBondContact O-OG 3.09Å; V1496-S1498 VanDerWaalsContact C-N 3.34Å; V1496-S1498 PolarHBondContact O-N 2.92Å; S1498-Q1502 WeakPolarHBondContact O-CB 3.49Å; S1498-Q1502 PolarHBondContact O-N 3.4Å
1499K88.2Confident85.5Confident86 Ų8640.1 Ų40.137%0.37423%0.229SC..Hα-helixtrans-71.1-41.4176.7-69.7-61.9-174.1-175.70111.7F1495 V1496 L1497 Q1502 K1503 L1533F1495-K1499 HydrophobicContact CD1-CG 4.4Å; F1495-K1499 HydrophobicContact CE1-CG 4.08Å; F1495-K1499 HydrophobicContact CZ-CG 4.23Å; F1495-K1499 PolarHBondContact O-N 2.74Å; F1495-K1499 VanDerWaalsContact O-N 3.07Å; V1496-K1499 PolarHBondContact O-N 3.42Å; V1496-K1499 VanDerWaalsContact O-N 3.15Å; L1497-K1499 VanDerWaalsContact C-N 3.32Å; L1497-K1499 PolarHBondContact O-N 3.18Å; K1499-Q1502 PolarHBondContact O-N 2.97Å; K1499-K1503 PolarHBondContact O-N 2.85Å; K1499-L1533 HydrophobicContact CB-CD1 3.54Å
1500E88.4Confident85.7Confident2 Ų244 Ų441%0.00925%0.247CC..Hα-helixtrans-65.1-38.2175-65.1-177.8164.400111.4L1293 R1296 V1496 L1497 K1503 L1504 L1531 Q1532 L1533L1293-E1500 HydrophobicContact CD1-CB 4.39Å; R1296-E1500 WeakPolarHBondContact CG-OE2 3.48Å; R1296-E1500 IonicContact CZ-OE1 3.57Å; R1296-E1500 IonicContact NE-OE1 2.76Å; R1296-E1500 PolarHBondContact NE-OE1 3.45Å; R1296-E1500 VanDerWaalsContact NE-OE1 3.13Å; R1296-E1500 IonicContact NE-OE2 3.98Å; R1296-E1500 PolarHBondContact NE-OE2 3.46Å; R1296-E1500 IonicContact NH2-OE1 3.84Å; R1296-E1500 PolarHBondContact NH2-OE1 3.46Å; V1496-E1500 HydrophobicContact CG1-CG 4.29Å; V1496-E1500 WeakPolarHBondContact O-CG 3.46Å; V1496-E1500 PolarHBondContact O-N 3.4Å; L1497-E1500 PolarHBondContact O-N 3.27Å; E1500-K1503 PolarHBondContact O-N 3.1Å; E1500-L1504 WeakPolarHBondContact O-CB 3.29Å; E1500-L1504 PolarHBondContact O-N 3.47Å; E1500-L1531 WeakPolarHBondContact CG-O 3.33Å; E1500-Q1532 WeakPolarHBondContact OE1-CA 3.36Å; E1500-L1533 HydrophobicContact CG-CD1 3.82Å; E1500-L1533 HydrophobicContact CG-CG 4.21Å; E1500-L1533 PolarHBondContact OE1-N 2.76Å; E1500-L1533 VanDerWaalsContact OE1-N 3.09Å
1501K88.2Confident85.6Confident15 Ų1543.6 Ų43.67%0.06525%0.247CC..Hα-helixtrans-63.4-45.6171.9-79.2175.8174.2-170.90112.6E1286 E1290 L1293 L1497 K1503 L1504 K1505E1286-K1501 IonicContact OE1-NZ 3.64Å; E1286-K1501 PolarHBondContact OE1-NZ 2.99Å; E1290-K1501 IonicContact OE1-NZ 3.42Å; E1290-K1501 PolarHBondContact OE1-NZ 3.04Å; L1293-K1501 HydrophobicContact CD1-CB 4.12Å; L1293-K1501 HydrophobicContact CD1-CG 3.45Å; L1293-K1501 VanDerWaalsContact CD1-CG 3.45Å; L1497-K1501 WeakPolarHBondContact O-CB 3.28Å; L1497-K1501 VanDerWaalsContact O-CG 3.28Å; L1497-K1501 WeakPolarHBondContact O-CG 3.32Å; L1497-K1501 PolarHBondContact O-N 2.86Å; K1501-K1503 VanDerWaalsContact C-N 3.27Å; K1501-K1503 PolarHBondContact O-N 3.07Å; K1501-L1504 WeakPolarHBondContact O-CB 3.22Å; K1501-L1504 PolarHBondContact O-N 3.47Å; K1501-L1504 VanDerWaalsContact O-N 3.13Å; K1501-K1505 WeakPolarHBondContact O-CG 3.35Å; K1501-K1505 PolarHBondContact O-N 3.13Å
1502Q87.7Confident85.4Confident81 Ų8141.9 Ų41.938%0.37924%0.241SC..Hα-helixtrans-58.4-43.2176.5-172.8-177.53.600110.5S1498 K1499 K1505 S1506S1498-Q1502 WeakPolarHBondContact O-CB 3.49Å; S1498-Q1502 PolarHBondContact O-N 3.4Å; K1499-Q1502 PolarHBondContact O-N 2.97Å; Q1502-K1505 PolarHBondContact O-N 3.07Å; Q1502-S1506 PolarHBondContact O-N 3.09Å; Q1502-S1506 PolarHBondContact O-OG 2.76Å
1503K87.7Confident85.1Confident96 Ų9642.3 Ų42.342%0.41725%0.245SC..Hα-helixtrans-65.1-37.2175.5-165.3178.4-177.5-175.60112.4K1499 E1500 K1501 S1506 G1507 S1530 L1531K1499-K1503 PolarHBondContact O-N 2.85Å; E1500-K1503 PolarHBondContact O-N 3.1Å; K1501-K1503 VanDerWaalsContact C-N 3.27Å; K1501-K1503 PolarHBondContact O-N 3.07Å; K1503-S1506 PolarHBondContact O-OG 3.22Å; K1503-G1507 PolarHBondContact O-N 2.97Å; K1503-S1530 PolarHBondContact NZ-O 3.24Å; K1503-L1531 HydrophobicContact CB-CD2 4.21Å; K1503-L1531 HydrophobicContact CD-CD2 3.97Å; K1503-L1531 HydrophobicContact CG-CD2 3.85Å
1504L87.7Confident84.7Confident0 Ų045.2 Ų45.20%026%0.26CS..Hα-helixtrans-66.2-45.1175.517964.1000111.9I1292 L1293 E1500 K1501 H1508 L1512 V1526 L1531I1292-L1504 HydrophobicContact CB-CD2 4.1Å; I1292-L1504 HydrophobicContact CD1-CD2 4.31Å; I1292-L1504 HydrophobicContact CG2-CD2 3.87Å; L1293-L1504 HydrophobicContact CD1-CB 4.47Å; L1293-L1504 HydrophobicContact CD1-CD2 3.93Å; L1293-L1504 HydrophobicContact CG-CD2 4.12Å; E1500-L1504 WeakPolarHBondContact O-CB 3.29Å; E1500-L1504 PolarHBondContact O-N 3.47Å; K1501-L1504 WeakPolarHBondContact O-CB 3.22Å; K1501-L1504 PolarHBondContact O-N 3.47Å; K1501-L1504 VanDerWaalsContact O-N 3.13Å; L1504-H1508 HydrophobicContact CD1-CB 4.44Å; L1504-H1508 WeakPolarHBondContact O-CB 3.28Å; L1504-H1508 PolarHBondContact O-N 3.4Å; L1504-L1512 HydrophobicContact CG-CD1 4.41Å; L1504-V1526 HydrophobicContact CD1-CG1 4.05Å; L1504-V1526 HydrophobicContact CD1-CG2 4.2Å; L1504-L1531 HydrophobicContact CD1-CD1 3.98Å
1505K86.7Confident84Confident16 Ų1644.7 Ų44.77%0.0725%0.25CS..Hα-helixtrans-66.4-41.4178.6-72.7173.1176.8-177.80112.5D1108 D1111 V1285 E1286 K1501 Q1502 S1509 L1512D1108-K1505 IonicContact OD2-NZ 3.11Å; D1111-K1505 IonicContact OD1-NZ 3.13Å; D1111-K1505 PolarHBondContact OD1-NZ 3.26Å; D1111-K1505 WeakPolarHBondContact OD2-CD 3.2Å; D1111-K1505 IonicContact OD2-NZ 3.23Å; D1111-K1505 PolarHBondContact OD2-NZ 3.21Å; V1285-K1505 HydrophobicContact CG1-CG 4.26Å; E1286-K1505 WeakPolarHBondContact OE2-CE 3.46Å; E1286-K1505 IonicContact OE2-NZ 3.63Å; E1286-K1505 PolarHBondContact OE2-NZ 3.42Å; K1501-K1505 WeakPolarHBondContact O-CG 3.35Å; K1501-K1505 PolarHBondContact O-N 3.13Å; Q1502-K1505 PolarHBondContact O-N 3.07Å; K1505-S1509 WeakPolarHBondContact O-CA 3.32Å; K1505-S1509 VanDerWaalsContact O-CB 3.29Å; K1505-S1509 WeakPolarHBondContact O-CB 3.4Å; K1505-S1509 PolarHBondContact O-N 2.86Å; K1505-L1512 HydrophobicContact CG-CD1 4.26Å
1506S84.6Confident83.3Confident93 Ų9346.1 Ų46.165%0.6527%0.265SS*.Hα-helixtrans-71.8-36.8178.164.60000112.7Q1502 K1503Q1502-S1506 PolarHBondContact O-N 3.09Å; Q1502-S1506 PolarHBondContact O-OG 2.76Å; K1503-S1506 PolarHBondContact O-OG 3.22Å
1507G82.2Confident82.6Confident54 Ų5452.5 Ų52.556%0.55729%0.289SS*.Hα-helixtrans-80.7-25.6-179.200000115.1K1503K1503-G1507 PolarHBondContact O-N 2.97Å
1508H82.9Confident81.8Confident62 Ų6256.6 Ų56.629%0.28731%0.306SS..Hα-helixtrans-135.829.8-171.3-61.686.1000113.6L1504 E1510 S1511 L1512L1504-H1508 HydrophobicContact CD1-CB 4.44Å; L1504-H1508 WeakPolarHBondContact O-CB 3.28Å; L1504-H1508 PolarHBondContact O-N 3.4Å; H1508-E1510 VanDerWaalsContact C-N 3.34Å; H1508-E1510 PolarHBondContact O-N 2.83Å; H1508-S1511 WeakPolarHBondContact O-CB 3.42Å; H1508-S1511 PolarHBondContact O-N 3.09Å; H1508-L1512 WeakPolarHBondContact O-CG 3.3Å; H1508-L1512 PolarHBondContact O-N 3.11Å
1509S80.9Confident81.3Confident61 Ų6154.9 Ų54.943%0.42729%0.293SS..Hα-helixtrans-53.8-43.9-178.657.90000113.5K1505 L1512 S1513K1505-S1509 WeakPolarHBondContact O-CA 3.32Å; K1505-S1509 VanDerWaalsContact O-CB 3.29Å; K1505-S1509 WeakPolarHBondContact O-CB 3.4Å; K1505-S1509 PolarHBondContact O-N 2.86Å; S1509-L1512 PolarHBondContact O-N 3.39Å; S1509-S1513 WeakPolarHBondContact O-CB 3.08Å; S1509-S1513 PolarHBondContact O-N 3.27Å; S1509-S1513 PolarHBondContact O-OG 2.93Å
1510E82.1Confident80.7Confident149 Ų14955.3 Ų55.370%0.69630%0.302SS*.Hα-helixtrans-64.6-40.2176.2-68.2-172.6169.900112.1H1508 S1513 N1514H1508-E1510 VanDerWaalsContact C-N 3.34Å; H1508-E1510 PolarHBondContact O-N 2.83Å; E1510-S1513 WeakPolarHBondContact CA-OG 3.42Å; E1510-S1513 PolarHBondContact O-N 2.85Å; E1510-S1513 PolarHBondContact O-OG 3.27Å; E1510-N1514 WeakPolarHBondContact O-CB 2.85Å; E1510-N1514 PolarHBondContact O-N 2.69Å
1511S81.3Confident80.3Confident21 Ų2159 Ų5915%0.14732%0.322CS..Hα-helixtrans-68.8-37.5177.9-168.80000111.6H1508 N1514 I1522H1508-S1511 WeakPolarHBondContact O-CB 3.42Å; H1508-S1511 PolarHBondContact O-N 3.09Å; S1511-N1514 PolarHBondContact O-N 3Å; S1511-I1522 WeakPolarHBondContact O-CD1 3.49Å
1512L81.4Confident79.8Confident0 Ų058.3 Ų58.30%032%0.319CS..Hα-helixtrans-71-35.2177.8-70.9170.4000112.6V1285 R1288 I1292 L1504 K1505 H1508 S1509V1285-L1512 HydrophobicContact CG1-CB 4.45Å; V1285-L1512 HydrophobicContact CG1-CD1 4.29Å; R1288-L1512 HydrophobicContact CB-CD2 4.42Å; R1288-L1512 WeakPolarHBondContact CD-O 3.5Å; R1288-L1512 PolarHBondContact NE-O 2.65Å; I1292-L1512 HydrophobicContact CD1-CD2 3.5Å; L1504-L1512 HydrophobicContact CG-CD1 4.41Å; K1505-L1512 HydrophobicContact CG-CD1 4.26Å; H1508-L1512 WeakPolarHBondContact O-CG 3.3Å; H1508-L1512 PolarHBondContact O-N 3.11Å; S1509-L1512 PolarHBondContact O-N 3.39Å
1513S79.3Confident79.3Confident13 Ų1358.4 Ų58.49%0.09132%0.316CS..Hα-helixtrans-76.6-27.3175.952.10000112.8S1509 E1510 T1515S1509-S1513 WeakPolarHBondContact O-CB 3.08Å; S1509-S1513 PolarHBondContact O-N 3.27Å; S1509-S1513 PolarHBondContact O-OG 2.93Å; E1510-S1513 WeakPolarHBondContact CA-OG 3.42Å; E1510-S1513 PolarHBondContact O-N 2.85Å; E1510-S1513 PolarHBondContact O-OG 3.27Å; S1513-T1515 PolarHBondContact O-N 2.88Å; S1513-T1515 PolarHBondContact O-OG1 3.49Å
1514N77.3Confident78.8Confident66 Ų6658.5 Ų58.535%0.35333%0.329SS..  trans-69.7103.7176.4-166.3-14.7000112E1510 S1511 S1516E1510-N1514 WeakPolarHBondContact O-CB 2.85Å; E1510-N1514 PolarHBondContact O-N 2.69Å; S1511-N1514 PolarHBondContact O-N 3Å; N1514-S1516 VanDerWaalsContact C-N 3.25Å; N1514-S1516 PolarHBondContact ND2-OG 3.42Å; N1514-S1516 PolarHBondContact O-N 3.49Å; N1514-S1516 WeakPolarHBondContact OD1-CB 3.34Å; N1514-S1516 PolarHBondContact OD1-N 3.07Å; N1514-S1516 PolarHBondContact OD1-OG 3.12Å
1515T70Confident78.4Confident23 Ų2361.9 Ų61.914%0.14136%0.356CS..THydrogen-bonded Turntrans-77.1-9.5-178.3-55.30000113M1168 S1513 R1517M1168-T1515 HydrophobicContact CB-CG2 3.73Å; M1168-T1515 HydrophobicContact CE-CG2 4.11Å; M1168-T1515 HydrophobicContact SD-CG2 4.22Å; S1513-T1515 PolarHBondContact O-N 2.88Å; S1513-T1515 PolarHBondContact O-OG1 3.49Å; T1515-R1517 PolarHBondContact O-N 3.38Å
1516S72.8Confident77.9Confident65 Ų6561.3 Ų61.346%0.45536%0.355SS..THydrogen-bonded Turntrans-73.1-23.8-178.868.90000114.4N1514N1514-S1516 VanDerWaalsContact C-N 3.25Å; N1514-S1516 PolarHBondContact ND2-OG 3.42Å; N1514-S1516 PolarHBondContact O-N 3.49Å; N1514-S1516 WeakPolarHBondContact OD1-CB 3.34Å; N1514-S1516 PolarHBondContact OD1-N 3.07Å; N1514-S1516 PolarHBondContact OD1-OG 3.12Å
1517R73.3Confident77.6Confident134 Ų13461.9 Ų61.951%0.50635%0.35SS..SBendtrans-92.9141.4-178.3-66.2-175.7174.4-178.4-2111.8T1515 I1522T1515-R1517 PolarHBondContact O-N 3.38Å; R1517-I1522 HydrophobicContact CB-CD1 4.24Å; R1517-I1522 HydrophobicContact CB-CG1 3.99Å
1518K69.4Low77.1Confident98 Ų9861.8 Ų61.843%0.42634%0.337SS..  trans-65.4142.9171.3-71.3167.3178.8178.60109.5S1170 T1520 D1521 I1522S1170-K1518 WeakPolarHBondContact OG-CG 3.16Å; K1518-T1520 WeakPolarHBondContact CB-OG1 3.37Å; K1518-T1520 PolarHBondContact O-N 3.05Å; K1518-D1521 HydrophobicContact CB-CB 4.31Å; K1518-D1521 WeakPolarHBondContact CB-OD2 3.23Å; K1518-D1521 WeakPolarHBondContact O-CB 3.03Å; K1518-D1521 PolarHBondContact O-N 3.5Å; K1518-I1522 PolarHBondContact O-N 2.99Å
1519L75.4Confident76.8Confident18 Ų1862.2 Ų62.29%0.09435%0.345CS..Hα-helixtrans-60.2-30.4175-94.176.1000112.6V1167 R1288 V1291 D1521 I1522 R1523V1167-L1519 HydrophobicContact CG1-CD1 4.06Å; V1167-L1519 HydrophobicContact CG1-CD2 3.65Å; R1288-L1519 VanDerWaalsContact CZ-CD1 3.45Å; V1291-L1519 HydrophobicContact CB-CD2 3.84Å; V1291-L1519 HydrophobicContact CG1-CD2 3.68Å; L1519-D1521 VanDerWaalsContact C-N 3.27Å; L1519-D1521 PolarHBondContact O-N 3.13Å; L1519-I1522 PolarHBondContact O-N 3.36Å; L1519-R1523 WeakPolarHBondContact O-CB 3.36Å; L1519-R1523 PolarHBondContact O-N 3.48Å
1520T75Confident76.7Confident95 Ų9562.2 Ų62.258%0.58335%0.345SS*.Hα-helixtrans-61-39.9172.948.80000111.4K1518 R1523 S1524K1518-T1520 WeakPolarHBondContact CB-OG1 3.37Å; K1518-T1520 PolarHBondContact O-N 3.05Å; T1520-R1523 PolarHBondContact O-N 2.7Å; T1520-S1524 PolarHBondContact O-N 3.45Å; T1520-S1524 PolarHBondContact O-OG 3.45Å
1521D79.9Confident76.4Confident78 Ų7855.4 Ų55.442%0.41731%0.313SS..Hα-helixtrans-75.6-37.7-177.5-52-3.7000110.1K1518 L1519 R1523 S1524 A1525K1518-D1521 HydrophobicContact CB-CB 4.31Å; K1518-D1521 WeakPolarHBondContact CB-OD2 3.23Å; K1518-D1521 WeakPolarHBondContact O-CB 3.03Å; K1518-D1521 PolarHBondContact O-N 3.5Å; L1519-D1521 VanDerWaalsContact C-N 3.27Å; L1519-D1521 PolarHBondContact O-N 3.13Å; D1521-R1523 VanDerWaalsContact C-N 3.34Å; D1521-S1524 WeakPolarHBondContact CA-OG 3.49Å; D1521-S1524 PolarHBondContact O-N 3.47Å; D1521-S1524 PolarHBondContact O-OG 3.11Å; D1521-A1525 WeakPolarHBondContact O-CB 2.87Å; D1521-A1525 PolarHBondContact O-N 3.06Å
1522I79Confident76.3Confident1 Ų157.8 Ų57.81%0.00532%0.322CS..Hα-helixtrans-61.7-44.9170.9-61.9170.7000109.6I1292 S1511 R1517 K1518 L1519 S1524 A1525 V1526I1292-I1522 HydrophobicContact CD1-CG2 3.92Å; S1511-I1522 WeakPolarHBondContact O-CD1 3.49Å; R1517-I1522 HydrophobicContact CB-CD1 4.24Å; R1517-I1522 HydrophobicContact CB-CG1 3.99Å; K1518-I1522 PolarHBondContact O-N 2.99Å; L1519-I1522 PolarHBondContact O-N 3.36Å; I1522-S1524 VanDerWaalsContact C-N 3.33Å; I1522-S1524 PolarHBondContact O-N 3.25Å; I1522-A1525 PolarHBondContact O-N 3.45Å; I1522-V1526 HydrophobicContact CG2-CG2 4.17Å; I1522-V1526 WeakPolarHBondContact O-CB 3.38Å; I1522-V1526 WeakPolarHBondContact O-CG2 3.44Å; I1522-V1526 PolarHBondContact O-N 3.32Å
1523R77.3Confident76.3Confident84 Ų8460.9 Ų60.932%0.31734%0.338SS..Hα-helixtrans-63.1-36.2178.2179.4175.1175.3152.8-5.2112.9I1292 L1519 T1520 D1521 L1528I1292-R1523 PolarHBondContact O-NH1 2.96Å; L1519-R1523 WeakPolarHBondContact O-CB 3.36Å; L1519-R1523 PolarHBondContact O-N 3.48Å; T1520-R1523 PolarHBondContact O-N 2.7Å; D1521-R1523 VanDerWaalsContact C-N 3.34Å; R1523-L1528 HydrophobicContact CG-CD1 4.17Å
1524S77.3Confident76.3Confident97 Ų9760.3 Ų60.368%0.67833%0.334SS*.Hα-helixtrans-75.8-26.517553.70000113.4T1520 D1521 I1522T1520-S1524 PolarHBondContact O-N 3.45Å; T1520-S1524 PolarHBondContact O-OG 3.45Å; D1521-S1524 WeakPolarHBondContact CA-OG 3.49Å; D1521-S1524 PolarHBondContact O-N 3.47Å; D1521-S1524 PolarHBondContact O-OG 3.11Å; I1522-S1524 VanDerWaalsContact C-N 3.33Å; I1522-S1524 PolarHBondContact O-N 3.25Å
1525A79Confident76.2Confident71 Ų7162.9 Ų62.959%0.58734%0.344SS*.Hα-helixtrans-80-25.7176.700000112.9D1521 I1522D1521-A1525 WeakPolarHBondContact O-CB 2.87Å; D1521-A1525 PolarHBondContact O-N 3.06Å; I1522-A1525 PolarHBondContact O-N 3.45Å
1526V76.1Confident76.6Confident5 Ų564.1 Ų64.13%0.0335%0.354CS..SBendtrans-81.4119.6177.51720000109.5L1504 I1522 L1528 L1531L1504-V1526 HydrophobicContact CD1-CG1 4.05Å; L1504-V1526 HydrophobicContact CD1-CG2 4.2Å; I1522-V1526 HydrophobicContact CG2-CG2 4.17Å; I1522-V1526 WeakPolarHBondContact O-CB 3.38Å; I1522-V1526 WeakPolarHBondContact O-CG2 3.44Å; I1522-V1526 PolarHBondContact O-N 3.32Å; V1526-L1528 VanDerWaalsContact C-N 3.31Å; V1526-L1528 PolarHBondContact O-N 2.85Å; V1526-L1531 HydrophobicContact CG1-CD1 3.34Å; V1526-L1531 HydrophobicContact CG1-CG 4.38Å
1527D76.8Confident76.7Confident104 Ų10463.4 Ų63.456%0.55635%0.352SS*.  trans-69.784.5175.7-170.718.3000110.8P1529 S1530D1527-P1529 WeakPolarHBondContact OD1-CD 3.43Å; D1527-S1530 WeakPolarHBondContact O-CB 3.37Å; D1527-S1530 PolarHBondContact O-N 2.73Å; D1527-S1530 PolarHBondContact O-OG 2.93Å
1528L73.5Confident77.1Confident52 Ų5262.8 Ų62.827%0.27236%0.358SS..Hα-helixtrans-49.8-45.4-175.7-83.8141000113.8R1523 V1526 S1530 L1531 Q1532R1523-L1528 HydrophobicContact CG-CD1 4.17Å; V1526-L1528 VanDerWaalsContact C-N 3.31Å; V1526-L1528 PolarHBondContact O-N 2.85Å; L1528-S1530 VanDerWaalsContact C-N 3.26Å; L1528-S1530 PolarHBondContact O-N 3.12Å; L1528-L1531 WeakPolarHBondContact O-CB 3.42Å; L1528-L1531 PolarHBondContact O-N 2.96Å; L1528-L1531 VanDerWaalsContact O-N 3.07Å; L1528-Q1532 WeakPolarHBondContact O-CG 3.48Å; L1528-Q1532 PolarHBondContact O-N 3.22Å
1529P76Confident77.8Confident71 Ų7160.4 Ų60.446%0.46135%0.35SS..Hα-helixtrans-53.6-37.2174.6-2834.1000114.4D1527 L1531 Q1532D1527-P1529 WeakPolarHBondContact OD1-CD 3.43Å; P1529-L1531 PolarHBondContact O-N 2.77Å; P1529-Q1532 PolarHBondContact O-N 3.07Å
1530S78.4Confident78Confident61 Ų6159.7 Ų59.743%0.42735%0.347SS..Hα-helixtrans-68.1-21.8179.478.30000113.4K1503 D1527 L1528K1503-S1530 PolarHBondContact NZ-O 3.24Å; D1527-S1530 WeakPolarHBondContact O-CB 3.37Å; D1527-S1530 PolarHBondContact O-N 2.73Å; D1527-S1530 PolarHBondContact O-OG 2.93Å; L1528-S1530 VanDerWaalsContact C-N 3.26Å; L1528-S1530 PolarHBondContact O-N 3.12Å
1531L75.5Confident78.1Confident7 Ų760.3 Ų60.34%0.03734%0.343CS..Hα-helixtrans-86.1-20.9177.1-65.6172.9000112.5E1500 K1503 L1504 V1526 L1528 P1529 L1533E1500-L1531 WeakPolarHBondContact CG-O 3.33Å; K1503-L1531 HydrophobicContact CB-CD2 4.21Å; K1503-L1531 HydrophobicContact CD-CD2 3.97Å; K1503-L1531 HydrophobicContact CG-CD2 3.85Å; L1504-L1531 HydrophobicContact CD1-CD1 3.98Å; V1526-L1531 HydrophobicContact CG1-CD1 3.34Å; V1526-L1531 HydrophobicContact CG1-CG 4.38Å; L1528-L1531 WeakPolarHBondContact O-CB 3.42Å; L1528-L1531 PolarHBondContact O-N 2.96Å; L1528-L1531 VanDerWaalsContact O-N 3.07Å; P1529-L1531 PolarHBondContact O-N 2.77Å; L1531-L1533 PolarHBondContact O-N 2.98Å
1532Q78.7Confident78.3Confident70 Ų7063.7 Ų63.733%0.32735%0.354SS..  trans-71.1121.7-173.3-69.2177.8-0.800112E1500 L1528 P1529E1500-Q1532 WeakPolarHBondContact OE1-CA 3.36Å; L1528-Q1532 WeakPolarHBondContact O-CG 3.48Å; L1528-Q1532 PolarHBondContact O-N 3.22Å; P1529-Q1532 PolarHBondContact O-N 3.07Å
1533L81.6Confident78.6Confident66 Ų6664.8 Ų64.835%0.34636%0.359SS..SBendtrans-86.3-15.8177.6-75.1160.4000114V1496 K1499 E1500 L1531 M1543V1496-L1533 HydrophobicContact CG1-CB 4.39Å; K1499-L1533 HydrophobicContact CB-CD1 3.54Å; E1500-L1533 HydrophobicContact CG-CD1 3.82Å; E1500-L1533 HydrophobicContact CG-CG 4.21Å; E1500-L1533 PolarHBondContact OE1-N 2.76Å; E1500-L1533 VanDerWaalsContact OE1-N 3.09Å; L1531-L1533 PolarHBondContact O-N 2.98Å; L1533-M1543 HydrophobicContact CB-CE 4.32Å; L1533-M1543 HydrophobicContact CD1-CE 3.95Å
1534V80.5Confident78.7Confident0 Ų061.4 Ų61.40%035%0.347CS..  trans-130.2112.8-171.1-177.10000108.9R1296 L1300 Y1492 V1496 D1539 V1540 M1543R1296-V1534 PolarHBondContact NH2-O 2.98Å; L1300-V1534 HydrophobicContact CD2-CB 3.8Å; L1300-V1534 HydrophobicContact CD2-CG1 4.17Å; L1300-V1534 HydrophobicContact CD2-CG2 4Å; Y1492-V1534 WeakPolarHBondContact OH-CG1 3.39Å; Y1492-V1534 VanDerWaalsContact OH-CG2 3.25Å; Y1492-V1534 WeakPolarHBondContact OH-CG2 3.42Å; V1496-V1534 HydrophobicContact CG1-CG2 4.09Å; V1496-V1534 HydrophobicContact CG2-CG2 4.24Å; V1534-D1539 HydrophobicContact CG1-CB 4.33Å; V1534-V1540 HydrophobicContact CG1-CG2 3.7Å; V1534-M1543 HydrophobicContact CG2-CG 4.12Å
1535Q75.4Confident78.9Confident121 Ų12160.4 Ų60.457%0.56534%0.337SS*.SBendtrans-124.8-31174.6-65.4-177.3-5.700111.9D1539Q1535-D1539 PolarHBondContact N-OD2 3.28Å
1536S78.1Confident79.2Confident49 Ų4959.1 Ų59.134%0.34333%0.326SS..SBendtrans-116.1164.7-179.171.50000113.5N1538 D1539 V1540S1536-N1538 VanDerWaalsContact C-N 3.27Å; S1536-N1538 PolarHBondContact O-N 2.88Å; S1536-D1539 PolarHBondContact N-OD2 3.49Å; S1536-D1539 WeakPolarHBondContact O-CB 3.31Å; S1536-D1539 PolarHBondContact O-N 3.29Å; S1536-D1539 PolarHBondContact OG-N 2.95Å; S1536-D1539 PolarHBondContact OG-OD2 2.92Å; S1536-V1540 PolarHBondContact O-N 2.94Å
1537A74.8Confident79.6Confident49 Ų4959.1 Ų59.141%0.40533%0.326SS..Hα-helixtrans-62.5-31174.400000113.1V1540 E1541A1537-V1540 WeakPolarHBondContact O-CB 3.4Å; A1537-V1540 PolarHBondContact O-N 3.48Å; A1537-E1541 PolarHBondContact O-N 3.44Å
1538N82Confident79.6Confident121 Ų12155 Ų5565%0.64731%0.306SS*.Hα-helixtrans-69.6-32.9175.7-69.9-11.2000112.1S1536 V1540 E1541 K1542S1536-N1538 VanDerWaalsContact C-N 3.27Å; S1536-N1538 PolarHBondContact O-N 2.88Å; N1538-V1540 PolarHBondContact O-N 3.16Å; N1538-E1541 PolarHBondContact O-N 3.01Å; N1538-K1542 PolarHBondContact O-N 3.12Å
1539D83Confident80Confident48 Ų4855.8 Ų55.826%0.25731%0.312SS..Hα-helixtrans-67.2-29.7174.4-60.4-43.8000111.5V1534 Q1535 S1536 M1543V1534-D1539 HydrophobicContact CG1-CB 4.33Å; Q1535-D1539 PolarHBondContact N-OD2 3.28Å; S1536-D1539 PolarHBondContact N-OD2 3.49Å; S1536-D1539 WeakPolarHBondContact O-CB 3.31Å; S1536-D1539 PolarHBondContact O-N 3.29Å; S1536-D1539 PolarHBondContact OG-N 2.95Å; S1536-D1539 PolarHBondContact OG-OD2 2.92Å; D1539-M1543 WeakPolarHBondContact O-CB 3.47Å; D1539-M1543 VanDerWaalsContact O-CG 3.25Å; D1539-M1543 WeakPolarHBondContact O-CG 3.45Å; D1539-M1543 PolarHBondContact O-N 2.95Å
1540V79.3Confident80.3Confident3 Ų355.3 Ų55.32%0.01831%0.306CS..Hα-helixtrans-61.6-53.1173.3-178.70000110.1L1304 Y1492 V1534 S1536 A1537 N1538 K1542 M1543 E1544L1304-V1540 HydrophobicContact CD1-CG1 4.17Å; Y1492-V1540 HydrophobicContact CE1-CG1 4.47Å; Y1492-V1540 HydrophobicContact CE2-CG1 4.06Å; Y1492-V1540 WeakPolarHBondContact OH-CA 3.47Å; V1534-V1540 HydrophobicContact CG1-CG2 3.7Å; S1536-V1540 PolarHBondContact O-N 2.94Å; A1537-V1540 WeakPolarHBondContact O-CB 3.4Å; A1537-V1540 PolarHBondContact O-N 3.48Å; N1538-V1540 PolarHBondContact O-N 3.16Å; V1540-K1542 PolarHBondContact O-N 2.87Å; V1540-M1543 PolarHBondContact O-N 2.98Å; V1540-E1544 HydrophobicContact CG1-CG 4.4Å; V1540-E1544 WeakPolarHBondContact O-CG 3.31Å; V1540-E1544 PolarHBondContact O-N 2.78Å
1541E77.7Confident80.4Confident108 Ų10853.3 Ų53.351%0.50529%0.289SS..Hα-helixtrans-60.9-42.3179.7-171.8-176.9173.200112.1A1537 N1538 M1543 E1544 T1545A1537-E1541 PolarHBondContact O-N 3.44Å; N1538-E1541 PolarHBondContact O-N 3.01Å; E1541-M1543 PolarHBondContact O-N 2.71Å; E1541-E1544 PolarHBondContact O-N 3.25Å; E1541-T1545 PolarHBondContact O-N 2.99Å; E1541-T1545 PolarHBondContact O-OG1 3.5Å
1542K84.8Confident80.5Confident150 Ų15058 Ų5865%0.65231%0.311SS*.Hα-helixtrans-60.2-44.7176.1-176.8179.4178.2-179.40112N1538 V1540 T1545 A1546N1538-K1542 PolarHBondContact O-N 3.12Å; V1540-K1542 PolarHBondContact O-N 2.87Å; K1542-T1545 PolarHBondContact O-N 3.38Å; K1542-A1546 PolarHBondContact O-N 3.06Å; K1542-A1546 VanDerWaalsContact O-N 3.09Å
1543M85.1Confident80.7Confident23 Ų2361.9 Ų61.911%0.11333%0.329CS..Hα-helixtrans-72.7-34.3179-71.2-62.1-73.200112Y1492 F1495 V1496 L1533 V1534 D1539 V1540 E1541 T1545 A1546 V1547Y1492-M1543 HydrophobicContact CD2-CB 4.44Å; Y1492-M1543 HydrophobicContact CE2-CB 3.64Å; F1495-M1543 HydrophobicContact CD1-CE 4.02Å; F1495-M1543 HydrophobicContact CE1-CE 3.96Å; V1496-M1543 HydrophobicContact CB-CE 4.41Å; V1496-M1543 HydrophobicContact CG2-CB 4.34Å; V1496-M1543 HydrophobicContact CG2-CE 3.76Å; L1533-M1543 HydrophobicContact CB-CE 4.32Å; L1533-M1543 HydrophobicContact CD1-CE 3.95Å; V1534-M1543 HydrophobicContact CG2-CG 4.12Å; D1539-M1543 WeakPolarHBondContact O-CB 3.47Å; D1539-M1543 VanDerWaalsContact O-CG 3.25Å; D1539-M1543 WeakPolarHBondContact O-CG 3.45Å; D1539-M1543 PolarHBondContact O-N 2.95Å; V1540-M1543 PolarHBondContact O-N 2.98Å; E1541-M1543 PolarHBondContact O-N 2.71Å; M1543-T1545 VanDerWaalsContact C-N 3.34Å; M1543-A1546 PolarHBondContact O-N 2.94Å; M1543-V1547 WeakPolarHBondContact O-CG2 3.36Å; M1543-V1547 PolarHBondContact O-N 2.86Å
1544E79.9Confident80.5Confident13 Ų1361.6 Ų61.66%0.06133%0.325CS..Hα-helixtrans-61.7-41.4171.9-75.8-177.412900112K1307 Y1492 V1540 E1541 V1547 S1548K1307-E1544 IonicContact NZ-OE2 2.79Å; Y1492-E1544 HydrophobicContact CD2-CG 3.51Å; Y1492-E1544 HydrophobicContact CE2-CG 3.84Å; Y1492-E1544 HydrophobicContact CG-CG 4.35Å; V1540-E1544 HydrophobicContact CG1-CG 4.4Å; V1540-E1544 WeakPolarHBondContact O-CG 3.31Å; V1540-E1544 PolarHBondContact O-N 2.78Å; E1541-E1544 PolarHBondContact O-N 3.25Å; E1544-V1547 WeakPolarHBondContact O-CB 3.48Å; E1544-V1547 PolarHBondContact O-N 3Å; E1544-S1548 PolarHBondContact O-N 3.05Å
1545T81.2Confident80.5Confident77 Ų7764.6 Ų64.647%0.47235%0.346SS..Hα-helixtrans-65.7-40.5175.4-47.60000111.5E1541 K1542 M1543 V1547 S1548 V1549E1541-T1545 PolarHBondContact O-N 2.99Å; E1541-T1545 PolarHBondContact O-OG1 3.5Å; K1542-T1545 PolarHBondContact O-N 3.38Å; M1543-T1545 VanDerWaalsContact C-N 3.34Å; T1545-V1547 VanDerWaalsContact C-N 3.3Å; T1545-V1547 PolarHBondContact O-N 2.87Å; T1545-S1548 PolarHBondContact O-N 2.97Å; T1545-S1548 PolarHBondContact O-OG 2.93Å; T1545-V1549 WeakPolarHBondContact O-CG2 3.1Å; T1545-V1549 PolarHBondContact O-N 2.93Å; T1545-V1549 VanDerWaalsContact O-N 3.13Å
1546A85.2Confident80.5Confident43 Ų4360.5 Ų60.536%0.35533%0.331SS..Hα-helixtrans-63.2-37.2175.600000112.4F1495 K1542 M1543 D1550F1495-A1546 HydrophobicContact CE1-CB 4.26Å; K1542-A1546 PolarHBondContact O-N 3.06Å; K1542-A1546 VanDerWaalsContact O-N 3.09Å; M1543-A1546 PolarHBondContact O-N 2.94Å; A1546-D1550 PolarHBondContact O-N 3.22Å; A1546-D1550 VanDerWaalsContact O-N 3.09Å
1547V83.7Confident80.5Confident5 Ų561.2 Ų61.23%0.0334%0.339CS..Hα-helixtrans-65.9-41.3175.9171.80000111.7R1491 F1495 M1543 E1544 T1545 D1550 W1551R1491-V1547 VanDerWaalsContact CD-CG1 3.5Å; R1491-V1547 HydrophobicContact CG-CG1 3.62Å; F1495-V1547 HydrophobicContact CB-CG2 3.56Å; F1495-V1547 HydrophobicContact CD1-CG2 3.34Å; F1495-V1547 HydrophobicContact CD2-CG2 4.19Å; F1495-V1547 HydrophobicContact CE1-CG2 4Å; F1495-V1547 HydrophobicContact CG-CG2 3.44Å; F1495-V1547 VanDerWaalsContact CG-CG2 3.44Å; M1543-V1547 WeakPolarHBondContact O-CG2 3.36Å; M1543-V1547 PolarHBondContact O-N 2.86Å; E1544-V1547 WeakPolarHBondContact O-CB 3.48Å; E1544-V1547 PolarHBondContact O-N 3Å; T1545-V1547 VanDerWaalsContact C-N 3.3Å; T1545-V1547 PolarHBondContact O-N 2.87Å; V1547-D1550 PolarHBondContact O-N 3.34Å; V1547-W1551 WeakPolarHBondContact O-CB 3.2Å; V1547-W1551 PolarHBondContact O-N 2.95Å; V1547-W1551 VanDerWaalsContact O-N 3.12Å
1548S76.8Confident80.7Confident19 Ų1960.4 Ų60.413%0.13333%0.329CS..Hα-helixtrans-65.8-40.2179.172.30000111.5E1544 T1545 W1551 Q1552E1544-S1548 PolarHBondContact O-N 3.05Å; T1545-S1548 PolarHBondContact O-N 2.97Å; T1545-S1548 PolarHBondContact O-OG 2.93Å; S1548-W1551 PolarHBondContact O-N 2.72Å; S1548-Q1552 WeakPolarHBondContact O-CB 3.28Å; S1548-Q1552 WeakPolarHBondContact O-CG 3.32Å; S1548-Q1552 PolarHBondContact O-N 2.95Å
1549V83.1Confident80.8Confident67 Ų6756.8 Ų56.841%0.40631%0.307SS..Hα-helixtrans-64.7-45.8175.8175.20000111.8T1545 W1551 Q1552 Q1553T1545-V1549 WeakPolarHBondContact O-CG2 3.1Å; T1545-V1549 PolarHBondContact O-N 2.93Å; T1545-V1549 VanDerWaalsContact O-N 3.13Å; V1549-W1551 VanDerWaalsContact C-N 3.27Å; V1549-W1551 PolarHBondContact O-N 3.44Å; V1549-Q1552 PolarHBondContact O-N 3.01Å; V1549-Q1553 WeakPolarHBondContact O-CG 3.46Å; V1549-Q1553 PolarHBondContact O-N 2.92Å
1550D80.8Confident81Confident62 Ų6256.5 Ų56.533%0.33231%0.305SS..Hα-helixtrans-59.9-38.4176.4-179.378.8000112F1495 A1546 V1547 K1554F1495-D1550 HydrophobicContact CE2-CB 4.24Å; A1546-D1550 PolarHBondContact O-N 3.22Å; A1546-D1550 VanDerWaalsContact O-N 3.09Å; V1547-D1550 PolarHBondContact O-N 3.34Å; D1550-K1554 WeakPolarHBondContact OD2-CE 3.49Å; D1550-K1554 IonicContact OD2-NZ 3.89Å; D1550-K1554 PolarHBondContact OD2-NZ 3.15Å
1551W82Confident81.2Confident19 Ų1961.6 Ų61.67%0.07233%0.332CS..Hα-helixtrans-71.3-41.5177.9-177.281.5000112.3V1481 N1484 V1547 S1548 V1549 Q1553 K1554 R1559V1481-W1551 HydrophobicContact CG2-CH2 4.01Å; V1481-W1551 HydrophobicContact CG2-CZ3 4.41Å; N1484-W1551 HydrophobicContact CB-CH2 4.32Å; N1484-W1551 HydrophobicContact CB-CZ2 3.99Å; N1484-W1551 VanDerWaalsContact ND2-CD2 3.29Å; N1484-W1551 VanDerWaalsContact ND2-CE2 3.32Å; N1484-W1551 VanDerWaalsContact ND2-CE3 3.34Å; N1484-W1551 WeakPolarHBondContact ND2-CH2 3.27Å; N1484-W1551 WeakPolarHBondContact ND2-CZ2 3.48Å; N1484-W1551 WeakPolarHBondContact ND2-CZ3 3.47Å; V1547-W1551 WeakPolarHBondContact O-CB 3.2Å; V1547-W1551 PolarHBondContact O-N 2.95Å; V1547-W1551 VanDerWaalsContact O-N 3.12Å; S1548-W1551 PolarHBondContact O-N 2.72Å; V1549-W1551 VanDerWaalsContact C-N 3.27Å; V1549-W1551 PolarHBondContact O-N 3.44Å; W1551-Q1553 VanDerWaalsContact C-N 3.26Å; W1551-Q1553 PolarHBondContact O-N 3.37Å; W1551-K1554 PolarHBondContact O-N 2.85Å; W1551-R1559 HydrophobicContact CD2-CG 4.23Å; W1551-R1559 HydrophobicContact CH2-CB 4.48Å; W1551-R1559 HydrophobicContact CZ2-CB 3.71Å; W1551-R1559 HydrophobicContact CZ2-CG 4.17Å; W1551-R1559 PolarHBondContact NE1-O 2.93Å; W1551-R1559 WeakPolarHBondContact O-CG 3.27Å; W1551-R1559 PolarHBondContact O-NE 2.78Å
1552Q77.7Confident81.5Confident104 Ų10458.3 Ų58.349%0.48632%0.318SS..Hα-helixtrans-64.7-24.9177.8-76.3-179.2-500113.2S1548 V1549 K1554 R1559S1548-Q1552 WeakPolarHBondContact O-CB 3.28Å; S1548-Q1552 WeakPolarHBondContact O-CG 3.32Å; S1548-Q1552 PolarHBondContact O-N 2.95Å; V1549-Q1552 PolarHBondContact O-N 3.01Å; Q1552-K1554 VanDerWaalsContact C-N 3.26Å; Q1552-K1554 PolarHBondContact O-N 3.43Å; Q1552-R1559 PolarHBondContact O-NE 3.39Å; Q1552-R1559 PolarHBondContact O-NH2 2.96Å
1553Q81.1Confident81.5Confident152 Ų15251.2 Ų51.271%0.7129%0.287SS*.THydrogen-bonded Turntrans-72.9-13.8177.6-71.1177.34.700114.1V1549 W1551V1549-Q1553 WeakPolarHBondContact O-CG 3.46Å; V1549-Q1553 PolarHBondContact O-N 2.92Å; W1551-Q1553 VanDerWaalsContact C-N 3.26Å; W1551-Q1553 PolarHBondContact O-N 3.37Å
1554K78.2Confident81.6Confident61 Ų6152.8 Ų52.827%0.26530%0.298SS..SBendtrans-85.5157.3-179.2-61.4172.9-169.6160.50111.5D1550 W1551 Q1552 T1558 R1559 N1562D1550-K1554 WeakPolarHBondContact OD2-CE 3.49Å; D1550-K1554 IonicContact OD2-NZ 3.89Å; D1550-K1554 PolarHBondContact OD2-NZ 3.15Å; W1551-K1554 PolarHBondContact O-N 2.85Å; Q1552-K1554 VanDerWaalsContact C-N 3.26Å; Q1552-K1554 PolarHBondContact O-N 3.43Å; K1554-T1558 HydrophobicContact CB-CG2 4.34Å; K1554-T1558 HydrophobicContact CD-CG2 4.49Å; K1554-R1559 HydrophobicContact CB-CG 4.11Å; K1554-R1559 PolarHBondContact O-NE 3.22Å; K1554-R1559 PolarHBondContact O-NH2 2.87Å; K1554-N1562 VanDerWaalsContact CD-ND2 3.34Å; K1554-N1562 WeakPolarHBondContact CD-ND2 3.46Å
1555S81.2Confident81.8Confident63 Ų6356.3 Ų56.344%0.44132%0.32SS..  trans-66.9152.8176.466.40000112.4A1557 T1558 R1559S1555-A1557 VanDerWaalsContact C-N 3.28Å; S1555-A1557 PolarHBondContact O-N 3.1Å; S1555-A1557 VanDerWaalsContact O-N 3.16Å; S1555-T1558 CarbonylContact O-C 3.51Å; S1555-T1558 WeakPolarHBondContact O-CA 3.28Å; S1555-T1558 PolarHBondContact O-N 2.94Å; S1555-T1558 PolarHBondContact OG-OG1 2.91Å; S1555-R1559 WeakPolarHBondContact O-CG 2.79Å; S1555-R1559 PolarHBondContact O-N 2.89Å
1556S75.4Confident82Confident34 Ų3454.5 Ų54.524%0.23831%0.307CS..Hα-helixtrans-52.2-40.4-176.7-59.10000113.9D1477 R1559 L1560D1477-S1556 WeakPolarHBondContact OD1-CB 3.2Å; D1477-S1556 PolarHBondContact OD1-OG 3.32Å; S1556-R1559 PolarHBondContact O-N 2.8Å; S1556-L1560 PolarHBondContact O-N 3.39Å; S1556-L1560 VanDerWaalsContact O-N 3.1Å
1557A77Confident82.1Confident64 Ų6453.8 Ų53.853%0.52930%0.299SS..Hα-helixtrans-67.7-40.3175.900000112.9S1555 R1559 L1560 L1561S1555-A1557 VanDerWaalsContact C-N 3.28Å; S1555-A1557 PolarHBondContact O-N 3.1Å; S1555-A1557 VanDerWaalsContact O-N 3.16Å; A1557-R1559 VanDerWaalsContact C-N 3.35Å; A1557-L1560 PolarHBondContact O-N 2.86Å; A1557-L1561 PolarHBondContact O-N 3.12Å
1558T80Confident82.3Confident32 Ų3257.4 Ų57.420%0.19632%0.317CS..Hα-helixtrans-70.2-33.8176.9-48.40000111.3K1554 S1555 N1562K1554-T1558 HydrophobicContact CB-CG2 4.34Å; K1554-T1558 HydrophobicContact CD-CG2 4.49Å; S1555-T1558 CarbonylContact O-C 3.51Å; S1555-T1558 WeakPolarHBondContact O-CA 3.28Å; S1555-T1558 PolarHBondContact O-N 2.94Å; S1555-T1558 PolarHBondContact OG-OG1 2.91Å; T1558-N1562 WeakPolarHBondContact O-CB 3.36Å; T1558-N1562 VanDerWaalsContact O-CG 3.31Å; T1558-N1562 PolarHBondContact O-N 2.99Å; T1558-N1562 PolarHBondContact O-ND2 3.43Å
1559R83.4Confident82.6Confident46 Ų4656.8 Ų56.817%0.17432%0.315CS..Hα-helixtrans-61-46.2172.7-73.1-173.6-156.6155.22.1111.4D1477 W1551 Q1552 K1554 S1555 S1556 A1557 A1563D1477-R1559 IonicContact OD1-NH1 3.14Å; W1551-R1559 HydrophobicContact CD2-CG 4.23Å; W1551-R1559 HydrophobicContact CH2-CB 4.48Å; W1551-R1559 HydrophobicContact CZ2-CB 3.71Å; W1551-R1559 HydrophobicContact CZ2-CG 4.17Å; W1551-R1559 PolarHBondContact NE1-O 2.93Å; W1551-R1559 WeakPolarHBondContact O-CG 3.27Å; W1551-R1559 PolarHBondContact O-NE 2.78Å; Q1552-R1559 PolarHBondContact O-NE 3.39Å; Q1552-R1559 PolarHBondContact O-NH2 2.96Å; K1554-R1559 HydrophobicContact CB-CG 4.11Å; K1554-R1559 PolarHBondContact O-NE 3.22Å; K1554-R1559 PolarHBondContact O-NH2 2.87Å; S1555-R1559 WeakPolarHBondContact O-CG 2.79Å; S1555-R1559 PolarHBondContact O-N 2.89Å; S1556-R1559 PolarHBondContact O-N 2.8Å; A1557-R1559 VanDerWaalsContact C-N 3.35Å; R1559-A1563 WeakPolarHBondContact O-CB 3.3Å; R1559-A1563 PolarHBondContact O-N 2.76Å
1560L86.8Confident82.6Confident41 Ų4155 Ų5522%0.21531%0.307CS..Hα-helixtrans-62.4-49.3175.7-17866.2000111.8L1476 C1479 L1483 S1556 A1557 N1562 A1563 V1564L1476-L1560 HydrophobicContact CD2-CD2 3.9Å; C1479-L1560 HydrophobicContact CB-CD1 4.41Å; L1483-L1560 HydrophobicContact CD1-CD1 3.78Å; S1556-L1560 PolarHBondContact O-N 3.39Å; S1556-L1560 VanDerWaalsContact O-N 3.1Å; A1557-L1560 PolarHBondContact O-N 2.86Å; L1560-N1562 VanDerWaalsContact C-N 3.34Å; L1560-N1562 PolarHBondContact O-N 3.3Å; L1560-A1563 WeakPolarHBondContact O-CB 2.83Å; L1560-A1563 PolarHBondContact O-N 3.29Å; L1560-A1563 VanDerWaalsContact O-N 3.11Å; L1560-V1564 WeakPolarHBondContact O-CG2 3.33Å; L1560-V1564 PolarHBondContact O-N 3.42Å
1561L84.3Confident82.9Confident111 Ų11155.6 Ų55.658%0.58131%0.308SS*.Hα-helixtrans-59.6-43.9179.6-175.866.5000111.9A1557 A1563 V1564 V1565A1557-L1561 PolarHBondContact O-N 3.12Å; L1561-A1563 VanDerWaalsContact C-N 3.35Å; L1561-V1564 PolarHBondContact O-N 3.22Å; L1561-V1565 WeakPolarHBondContact O-CG2 3.09Å; L1561-V1565 PolarHBondContact O-N 2.8Å
1562N83.3Confident83.2Confident39 Ų3955.2 Ų55.221%0.20931%0.307CS..Hα-helixtrans-64.6-38.2175.4-75.7-26.1000112.2K1554 T1558 L1560 N1566K1554-N1562 VanDerWaalsContact CD-ND2 3.34Å; K1554-N1562 WeakPolarHBondContact CD-ND2 3.46Å; T1558-N1562 WeakPolarHBondContact O-CB 3.36Å; T1558-N1562 VanDerWaalsContact O-CG 3.31Å; T1558-N1562 PolarHBondContact O-N 2.99Å; T1558-N1562 PolarHBondContact O-ND2 3.43Å; L1560-N1562 VanDerWaalsContact C-N 3.34Å; L1560-N1562 PolarHBondContact O-N 3.3Å; N1562-N1566 VanDerWaalsContact O-CB 3.27Å; N1562-N1566 WeakPolarHBondContact O-CB 3.47Å; N1562-N1566 PolarHBondContact O-N 2.93Å; N1562-N1566 PolarHBondContact O-ND2 2.82Å; N1562-N1566 VanDerWaalsContact O-ND2 3.17Å
1563A85.3Confident83.6Confident0 Ų052.5 Ų52.50%030%0.296CS..Hα-helixtrans-63.7-41.3175.900000111.6L1483 N1484 R1559 L1560 L1561 C1567L1483-A1563 HydrophobicContact CB-CB 3.83Å; N1484-A1563 HydrophobicContact CB-CB 4.46Å; R1559-A1563 WeakPolarHBondContact O-CB 3.3Å; R1559-A1563 PolarHBondContact O-N 2.76Å; L1560-A1563 WeakPolarHBondContact O-CB 2.83Å; L1560-A1563 PolarHBondContact O-N 3.29Å; L1560-A1563 VanDerWaalsContact O-N 3.11Å; L1561-A1563 VanDerWaalsContact C-N 3.35Å; A1563-C1567 WeakPolarHBondContact O-CB 3.3Å; A1563-C1567 PolarHBondContact O-N 2.91Å
1564V86.5Confident83.8Confident57 Ų5749.5 Ų49.535%0.34528%0.284SS..Hα-helixtrans-65.2-48176.3173.50000111.9L1483 L1560 L1561 N1566 C1567 I1568L1483-V1564 HydrophobicContact CD1-CG2 3.77Å; L1560-V1564 WeakPolarHBondContact O-CG2 3.33Å; L1560-V1564 PolarHBondContact O-N 3.42Å; L1561-V1564 PolarHBondContact O-N 3.22Å; V1564-N1566 VanDerWaalsContact C-N 3.31Å; V1564-N1566 PolarHBondContact O-N 3.46Å; V1564-C1567 WeakPolarHBondContact O-CB 3.43Å; V1564-C1567 PolarHBondContact O-N 3.1Å; V1564-C1567 VanDerWaalsContact O-N 3.12Å; V1564-I1568 HydrophobicContact CG1-CD1 4.09Å; V1564-I1568 WeakPolarHBondContact O-CG1 3.31Å; V1564-I1568 PolarHBondContact O-N 3.2Å
1565V85.4Confident84.2Confident87 Ų8749.3 Ų49.353%0.52729%0.286SS..Hα-helixtrans-62.4-40.9178.8172.60000111L1561 C1567 G1569L1561-V1565 WeakPolarHBondContact O-CG2 3.09Å; L1561-V1565 PolarHBondContact O-N 2.8Å; V1565-C1567 VanDerWaalsContact C-N 3.33Å; V1565-G1569 PolarHBondContact O-N 3.38Å
1566N85.6Confident84.7Confident39 Ų3946.3 Ų46.321%0.20927%0.265CS..Hα-helixtrans-67-33175.2-72.7-26.2000112.4C1487 H1490 N1562 V1564 G1569 A1570C1487-N1566 HydrophobicContact CB-CB 4.12Å; H1490-N1566 PolarHBondContact ND1-O 3.33Å; N1562-N1566 VanDerWaalsContact O-CB 3.27Å; N1562-N1566 WeakPolarHBondContact O-CB 3.47Å; N1562-N1566 PolarHBondContact O-N 2.93Å; N1562-N1566 PolarHBondContact O-ND2 2.82Å; N1562-N1566 VanDerWaalsContact O-ND2 3.17Å; V1564-N1566 VanDerWaalsContact C-N 3.31Å; V1564-N1566 PolarHBondContact O-N 3.46Å; N1566-G1569 PolarHBondContact O-N 3.43Å; N1566-A1570 VanDerWaalsContact O-CB 3.27Å; N1566-A1570 WeakPolarHBondContact O-CB 3.46Å; N1566-A1570 PolarHBondContact O-N 3.5Å
1567C87.4Confident85.4Confident28 Ų2845 Ų4519%0.18925%0.254CS..Hα-helixtrans-65.1-48.4175.4-168.70000112.1C1487 A1563 V1564 V1565 G1569 A1570 H1571C1487-C1567 WeakPolarHBondContact SG-CA 3.31Å; C1487-C1567 WeakPolarHBondContact SG-CB 3.45Å; C1487-C1567 PolarHBondContact SG-N 2.79Å; A1563-C1567 WeakPolarHBondContact O-CB 3.3Å; A1563-C1567 PolarHBondContact O-N 2.91Å; V1564-C1567 WeakPolarHBondContact O-CB 3.43Å; V1564-C1567 PolarHBondContact O-N 3.1Å; V1564-C1567 VanDerWaalsContact O-N 3.12Å; V1565-C1567 VanDerWaalsContact C-N 3.33Å; C1567-G1569 VanDerWaalsContact C-N 3.3Å; C1567-G1569 PolarHBondContact O-N 3.04Å; C1567-A1570 PolarHBondContact O-N 3.07Å; C1567-H1571 PolarHBondContact O-N 3.16Å; C1567-H1571 VanDerWaalsContact O-N 3.09Å
1568I86.7Confident85.9Confident80 Ų8046 Ų4641%0.4125%0.247SC..Hα-helixtrans-62.4-41.4176.2-65.8170.2000110.2V1564 A1570 T1572 L1575 F1680V1564-I1568 HydrophobicContact CG1-CD1 4.09Å; V1564-I1568 WeakPolarHBondContact O-CG1 3.31Å; V1564-I1568 PolarHBondContact O-N 3.2Å; I1568-A1570 VanDerWaalsContact C-N 3.33Å; I1568-A1570 PolarHBondContact O-N 3.24Å; I1568-T1572 WeakPolarHBondContact O-CG2 3.19Å; I1568-L1575 HydrophobicContact CG2-CD1 3.89Å; I1568-F1680 HydrophobicContact CG2-CE1 4.36Å
1569G84.2Confident86.5Confident7 Ų746.6 Ų46.67%0.07225%0.247CC..Hα-helixtrans-64.8-33.8175.700000113.8V1565 N1566 C1567V1565-G1569 PolarHBondContact O-N 3.38Å; N1566-G1569 PolarHBondContact O-N 3.43Å; C1567-G1569 VanDerWaalsContact C-N 3.3Å; C1567-G1569 PolarHBondContact O-N 3.04Å
1570A83.4Confident86.9Confident30 Ų3044.4 Ų44.425%0.24824%0.239CC..Hα-helixtrans-72.5-40.4179.300000113H1490 N1566 C1567 I1568H1490-A1570 HydrophobicContact CB-CB 3.58Å; N1566-A1570 VanDerWaalsContact O-CB 3.27Å; N1566-A1570 WeakPolarHBondContact O-CB 3.46Å; N1566-A1570 PolarHBondContact O-N 3.5Å; C1567-A1570 PolarHBondContact O-N 3.07Å; I1568-A1570 VanDerWaalsContact C-N 3.33Å; I1568-A1570 PolarHBondContact O-N 3.24Å
1571H85.4Confident87.1Confident74 Ų7442.6 Ų42.634%0.34323%0.229SC..THydrogen-bonded Turntrans-11242.7-170.6-65.5-65.4000113.7C1567 D1573 I1574 L1575C1567-H1571 PolarHBondContact O-N 3.16Å; C1567-H1571 VanDerWaalsContact O-N 3.09Å; H1571-D1573 VanDerWaalsContact C-N 3.3Å; H1571-D1573 PolarHBondContact O-N 3.38Å; H1571-I1574 HydrophobicContact CB-CD1 4.32Å; H1571-L1575 WeakPolarHBondContact O-CG 3.3Å; H1571-L1575 PolarHBondContact O-N 3.05Å
1572T88.9Confident87.3Confident10 Ų1038.2 Ų38.26%0.06121%0.206CC..Hα-helixtrans-68.6-25.6-179.349.60000114.2I1568 C1576 F1680 H1681 M1684I1568-T1572 WeakPolarHBondContact O-CG2 3.19Å; T1572-C1576 PolarHBondContact O-N 3.01Å; T1572-C1576 VanDerWaalsContact O-N 3.15Å; T1572-C1576 PolarHBondContact O-SG 3.46Å; T1572-F1680 HydrophobicContact CG2-CD1 3.77Å; T1572-F1680 HydrophobicContact CG2-CE1 3.47Å; T1572-F1680 VanDerWaalsContact CG2-CE1 3.47Å; T1572-H1681 WeakPolarHBondContact CB-ND1 3.22Å; T1572-H1681 PolarHBondContact OG1-ND1 3.29Å; T1572-M1684 HydrophobicContact CG2-CG 4.15Å
1573D86.8Confident87.6Confident48 Ų4836.3 Ų36.326%0.25720%0.196SC..Hα-helixtrans-68.2-48.5175.756.4-19.3000112H1571 L1575 C1576 Y1577 W1615H1571-D1573 VanDerWaalsContact C-N 3.3Å; H1571-D1573 PolarHBondContact O-N 3.38Å; D1573-L1575 VanDerWaalsContact C-N 3.26Å; D1573-L1575 PolarHBondContact O-N 3.49Å; D1573-C1576 WeakPolarHBondContact O-CB 3.34Å; D1573-C1576 PolarHBondContact O-N 3.31Å; D1573-C1576 VanDerWaalsContact O-N 3.1Å; D1573-Y1577 WeakPolarHBondContact O-CD2 3.01Å; D1573-Y1577 PolarHBondContact O-N 3.43Å; D1573-W1615 HydrophobicContact CB-CH2 4.21Å; D1573-W1615 HydrophobicContact CB-CZ2 4.16Å
1574I85.1Confident87.8Confident89 Ų8936.4 Ų36.446%0.45620%0.196SC..Hα-helixtrans-60.3-39.1175.7-60.1174.2000110.2H1571 Y1577 F1578H1571-I1574 HydrophobicContact CB-CD1 4.32Å; I1574-Y1577 PolarHBondContact O-N 3.07Å; I1574-F1578 WeakPolarHBondContact O-CB 3.45Å; I1574-F1578 PolarHBondContact O-N 3.49Å
1575L86.5Confident87.8Confident57 Ų5734.1 Ų34.130%0.29818%0.182SC..Hα-helixtrans-61.5-42.5174.6-72.5174.1000112.1I1568 H1571 D1573 F1578 F1579I1568-L1575 HydrophobicContact CG2-CD1 3.89Å; H1571-L1575 WeakPolarHBondContact O-CG 3.3Å; H1571-L1575 PolarHBondContact O-N 3.05Å; D1573-L1575 VanDerWaalsContact C-N 3.26Å; D1573-L1575 PolarHBondContact O-N 3.49Å; L1575-F1578 PolarHBondContact O-N 3.18Å; L1575-F1579 WeakPolarHBondContact O-CD2 3.42Å; L1575-F1579 PolarHBondContact O-N 2.95Å
1576C91.4Very high87.8Confident0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-63.2-43175.6-65.90000111.8T1572 D1573 F1579 A1580 W1615 M1618 S1677 L1678T1572-C1576 PolarHBondContact O-N 3.01Å; T1572-C1576 VanDerWaalsContact O-N 3.15Å; T1572-C1576 PolarHBondContact O-SG 3.46Å; D1573-C1576 WeakPolarHBondContact O-CB 3.34Å; D1573-C1576 PolarHBondContact O-N 3.31Å; D1573-C1576 VanDerWaalsContact O-N 3.1Å; C1576-F1579 PolarHBondContact O-N 2.87Å; C1576-A1580 WeakPolarHBondContact O-CB 3.32Å; C1576-A1580 PolarHBondContact O-N 3.17Å; C1576-W1615 HydrophobicContact CB-CH2 4.04Å; C1576-W1615 HydrophobicContact CB-CZ3 3.75Å; C1576-M1618 HydrophobicContact CB-CE 4.49Å; C1576-S1677 PolarHBondContact SG-OG 2.89Å; C1576-S1677 VanDerWaalsContact SG-OG 3.42Å; C1576-L1678 HydrophobicContact CB-CD2 4.22Å
1577Y90.3Very high87.5Confident6 Ų632 Ų322%0.02417%0.167CC..Hα-helixtrans-64.4-42176.9-60-29.4000112.1D1573 I1574 A1580 I1581 G1603 P1610 F1614 W1615 L1903D1573-Y1577 WeakPolarHBondContact O-CD2 3.01Å; D1573-Y1577 PolarHBondContact O-N 3.43Å; I1574-Y1577 PolarHBondContact O-N 3.07Å; Y1577-A1580 WeakPolarHBondContact O-CB 3.32Å; Y1577-A1580 PolarHBondContact O-N 2.74Å; Y1577-I1581 WeakPolarHBondContact O-CG1 3.47Å; Y1577-I1581 PolarHBondContact O-N 3Å; Y1577-G1603 VanDerWaalsContact OH-CA 3.23Å; Y1577-G1603 WeakPolarHBondContact OH-CA 3.43Å; Y1577-G1603 PolarHBondContact OH-O 3.37Å; Y1577-P1610 WeakPolarHBondContact OH-CG 3.49Å; Y1577-F1614 AromaticContact CE1-CE1 3.9Å; Y1577-F1614 HydrophobicContact CE1-CE1 3.9Å; Y1577-F1614 AromaticContact CE1-CZ 3.78Å; Y1577-F1614 HydrophobicContact CE1-CZ 3.78Å; Y1577-W1615 AromaticContact CE1-CH2 3.89Å; Y1577-W1615 HydrophobicContact CE1-CH2 3.89Å; Y1577-L1903 HydrophobicContact CD2-CD2 4.46Å
1578F88.4Confident87Confident84 Ų8431.5 Ų31.537%0.36817%0.167SC..Hα-helixtrans-59.6-48.1175.1177.8-100.2000111.3I1574 L1575 A1580 I1581 M1582I1574-F1578 WeakPolarHBondContact O-CB 3.45Å; I1574-F1578 PolarHBondContact O-N 3.49Å; L1575-F1578 PolarHBondContact O-N 3.18Å; F1578-A1580 VanDerWaalsContact C-N 3.32Å; F1578-A1580 PolarHBondContact O-N 2.94Å; F1578-I1581 PolarHBondContact O-N 3.36Å; F1578-M1582 HydrophobicContact CD1-CG 4.04Å; F1578-M1582 HydrophobicContact CD2-CE 4.34Å; F1578-M1582 HydrophobicContact CE1-CG 3.59Å; F1578-M1582 HydrophobicContact CE1-SD 4.29Å; F1578-M1582 HydrophobicContact CE2-CE 3.73Å; F1578-M1582 HydrophobicContact CE2-CG 4.18Å; F1578-M1582 HydrophobicContact CE2-SD 4.19Å; F1578-M1582 HydrophobicContact CZ-CE 3.96Å; F1578-M1582 HydrophobicContact CZ-CG 3.67Å; F1578-M1582 HydrophobicContact CZ-SD 3.77Å; F1578-M1582 WeakPolarHBondContact O-CG 3.37Å; F1578-M1582 PolarHBondContact O-N 3.44Å
1579F91.4Very high86.6Confident45 Ų4527.7 Ų27.720%0.19715%0.148CC..Hα-helixtrans-67.6-29.9177.7-70.4-51.7000113.3L1575 C1576 M1582 T1583 V1673 L1674L1575-F1579 WeakPolarHBondContact O-CD2 3.42Å; L1575-F1579 PolarHBondContact O-N 2.95Å; C1576-F1579 PolarHBondContact O-N 2.87Å; F1579-M1582 PolarHBondContact O-N 2.93Å; F1579-T1583 WeakPolarHBondContact O-CB 3.33Å; F1579-T1583 PolarHBondContact O-N 2.98Å; F1579-T1583 PolarHBondContact O-OG1 3.46Å; F1579-V1673 HydrophobicContact CD1-CG1 3.8Å; F1579-V1673 HydrophobicContact CD2-CG1 4.31Å; F1579-V1673 HydrophobicContact CE1-CG1 3.7Å; F1579-V1673 HydrophobicContact CE2-CG1 4.22Å; F1579-V1673 HydrophobicContact CG-CG1 4.13Å; F1579-V1673 HydrophobicContact CZ-CG1 3.92Å; F1579-L1674 HydrophobicContact CB-CB 4.35Å; F1579-L1674 HydrophobicContact CB-CD1 3.82Å
1580A91.3Very high86.7Confident0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-64.7-44.3172.100000111.9C1576 Y1577 F1578 T1583 Q1584 L1595 M1618 L1674C1576-A1580 WeakPolarHBondContact O-CB 3.32Å; C1576-A1580 PolarHBondContact O-N 3.17Å; Y1577-A1580 WeakPolarHBondContact O-CB 3.32Å; Y1577-A1580 PolarHBondContact O-N 2.74Å; F1578-A1580 VanDerWaalsContact C-N 3.32Å; F1578-A1580 PolarHBondContact O-N 2.94Å; A1580-T1583 PolarHBondContact O-N 2.96Å; A1580-Q1584 PolarHBondContact O-N 3.27Å; A1580-L1595 HydrophobicContact CB-CB 4.3Å; A1580-M1618 HydrophobicContact CB-CE 3.79Å; A1580-L1674 HydrophobicContact CB-CD1 4.32Å; A1580-L1674 HydrophobicContact CB-CD2 4.45Å
1581I90.7Very high86.9Confident4 Ų431 Ų312%0.02116%0.159CC..Hα-helixtrans-64.8-45.4174.5-65.8161.8000110.4Y1577 F1578 T1583 Q1584 V1585 P1596 Y1895 L1903Y1577-I1581 WeakPolarHBondContact O-CG1 3.47Å; Y1577-I1581 PolarHBondContact O-N 3Å; F1578-I1581 PolarHBondContact O-N 3.36Å; I1581-T1583 VanDerWaalsContact C-N 3.32Å; I1581-T1583 PolarHBondContact O-N 3.27Å; I1581-Q1584 PolarHBondContact O-N 3.36Å; I1581-V1585 HydrophobicContact CG2-CG2 4.49Å; I1581-V1585 WeakPolarHBondContact O-CG2 3.29Å; I1581-V1585 PolarHBondContact O-N 2.81Å; I1581-P1596 HydrophobicContact CG1-CB 4.15Å; I1581-Y1895 HydrophobicContact CG2-CD1 4.31Å; I1581-Y1895 HydrophobicContact CG2-CE1 3.86Å; I1581-L1903 HydrophobicContact CD1-CD1 3.94Å
1582M88.5Confident87Confident18 Ų1827.6 Ų27.69%0.08914%0.143CC..Hα-helixtrans-59.9-40.9176.5-72.3-56.4100.600112.4F1578 F1579 Q1584 V1585 M1586 W1670 V1896F1578-M1582 HydrophobicContact CD1-CG 4.04Å; F1578-M1582 HydrophobicContact CD2-CE 4.34Å; F1578-M1582 HydrophobicContact CE1-CG 3.59Å; F1578-M1582 HydrophobicContact CE1-SD 4.29Å; F1578-M1582 HydrophobicContact CE2-CE 3.73Å; F1578-M1582 HydrophobicContact CE2-CG 4.18Å; F1578-M1582 HydrophobicContact CE2-SD 4.19Å; F1578-M1582 HydrophobicContact CZ-CE 3.96Å; F1578-M1582 HydrophobicContact CZ-CG 3.67Å; F1578-M1582 HydrophobicContact CZ-SD 3.77Å; F1578-M1582 WeakPolarHBondContact O-CG 3.37Å; F1578-M1582 PolarHBondContact O-N 3.44Å; F1579-M1582 PolarHBondContact O-N 2.93Å; M1582-Q1584 VanDerWaalsContact C-N 3.3Å; M1582-Q1584 PolarHBondContact O-N 2.91Å; M1582-V1585 PolarHBondContact O-N 3.37Å; M1582-M1586 VanDerWaalsContact O-CG 3.31Å; M1582-M1586 WeakPolarHBondContact O-CG 3.4Å; M1582-M1586 PolarHBondContact O-N 3.5Å; M1582-W1670 HydrophobicContact CB-CE3 4.37Å; M1582-W1670 HydrophobicContact CB-CZ3 4.48Å; M1582-V1896 HydrophobicContact CE-CB 4.1Å; M1582-V1896 HydrophobicContact CE-CG1 3.62Å; M1582-V1896 HydrophobicContact CE-CG2 3.3Å
1583T89.6Confident87Confident0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-58.8-44.4177.9-60.60000110.3F1579 A1580 I1581 T1587 T1592 L1595 W1670 D1671F1579-T1583 WeakPolarHBondContact O-CB 3.33Å; F1579-T1583 PolarHBondContact O-N 2.98Å; F1579-T1583 PolarHBondContact O-OG1 3.46Å; A1580-T1583 PolarHBondContact O-N 2.96Å; I1581-T1583 VanDerWaalsContact C-N 3.32Å; I1581-T1583 PolarHBondContact O-N 3.27Å; T1583-T1587 WeakPolarHBondContact O-CB 3.18Å; T1583-T1587 WeakPolarHBondContact O-CG2 3.34Å; T1583-T1587 PolarHBondContact O-N 2.83Å; T1583-T1587 VanDerWaalsContact O-N 3.12Å; T1583-T1587 PolarHBondContact O-OG1 3.46Å; T1583-T1592 HydrophobicContact CG2-CG2 4.13Å; T1583-L1595 HydrophobicContact CG2-CD1 4.13Å; T1583-W1670 PolarHBondContact OG1-O 3.19Å; T1583-D1671 WeakPolarHBondContact CG2-OD1 3.28Å
1584Q89.9Confident87.2Confident2 Ų228.5 Ų28.51%0.00915%0.15CC..Hα-helixtrans-64.4-41.5175.3-18061.714.700112.8A1580 I1581 M1582 M1586 G1588 G1589 T1592 P1596 F1874A1580-Q1584 PolarHBondContact O-N 3.27Å; I1581-Q1584 PolarHBondContact O-N 3.36Å; M1582-Q1584 VanDerWaalsContact C-N 3.3Å; M1582-Q1584 PolarHBondContact O-N 2.91Å; Q1584-M1586 VanDerWaalsContact C-N 3.33Å; Q1584-M1586 PolarHBondContact O-N 3.38Å; Q1584-G1588 WeakPolarHBondContact O-CA 3.48Å; Q1584-G1588 PolarHBondContact O-N 3.44Å; Q1584-G1589 PolarHBondContact NE2-O 3.4Å; Q1584-G1589 VanDerWaalsContact NE2-O 3.14Å; Q1584-G1589 PolarHBondContact OE1-O 2.91Å; Q1584-T1592 PolarHBondContact OE1-O 3.47Å; Q1584-T1592 PolarHBondContact OE1-OG1 3.34Å; Q1584-P1596 HydrophobicContact CB-CG 3.78Å; Q1584-P1596 HydrophobicContact CG-CG 3.95Å; Q1584-F1874 HydrophobicContact CG-CE1 4.28Å; Q1584-F1874 HydrophobicContact CG-CE2 4.07Å; Q1584-F1874 HydrophobicContact CG-CZ 3.6Å
1585V87.1Confident87.4Confident8 Ų824.3 Ų24.35%0.04813%0.129CC..Hα-helixtrans-61.4-41.5-179.8170.50000112I1581 M1582 Q1892 Y1895 V1896I1581-V1585 HydrophobicContact CG2-CG2 4.49Å; I1581-V1585 WeakPolarHBondContact O-CG2 3.29Å; I1581-V1585 PolarHBondContact O-N 2.81Å; M1582-V1585 PolarHBondContact O-N 3.37Å; V1585-Q1892 HydrophobicContact CG1-CB 3.79Å; V1585-Q1892 HydrophobicContact CG1-CG 3.79Å; V1585-Y1895 HydrophobicContact CG2-CD1 3.34Å; V1585-Y1895 HydrophobicContact CG2-CE1 3.72Å; V1585-Y1895 HydrophobicContact CG2-CG 4.41Å; V1585-V1896 HydrophobicContact CG1-CG2 4.42Å; V1585-V1896 HydrophobicContact CG2-CG2 3.74Å
1586M84.6Confident87.5Confident66 Ų6621.6 Ų21.633%0.32511%0.114SC..Hα-helixtrans-83.6-29.9-173.5-63.9-67.9170.100113.2M1582 Q1584 R1664 W1670M1582-M1586 VanDerWaalsContact O-CG 3.31Å; M1582-M1586 WeakPolarHBondContact O-CG 3.4Å; M1582-M1586 PolarHBondContact O-N 3.5Å; Q1584-M1586 VanDerWaalsContact C-N 3.33Å; Q1584-M1586 PolarHBondContact O-N 3.38Å; M1586-R1664 PolarHBondContact O-NH1 3.3Å; M1586-W1670 HydrophobicContact CB-CG 4.2Å; M1586-W1670 HydrophobicContact CE-CZ2 4.26Å; M1586-W1670 HydrophobicContact CG-CD2 4.22Å; M1586-W1670 HydrophobicContact CG-CG 4.24Å; M1586-W1670 HydrophobicContact CG-CZ2 4.27Å
1587T80.4Confident87.3Confident15 Ų1523.8 Ų23.89%0.09213%0.126CC..Hα-helixtrans-97.1-31.3-17859.60000112.9T1583 G1589 T1592 I1886T1583-T1587 WeakPolarHBondContact O-CB 3.18Å; T1583-T1587 WeakPolarHBondContact O-CG2 3.34Å; T1583-T1587 PolarHBondContact O-N 2.83Å; T1583-T1587 VanDerWaalsContact O-N 3.12Å; T1583-T1587 PolarHBondContact O-OG1 3.46Å; T1587-G1589 PolarHBondContact O-N 2.91Å; T1587-G1589 VanDerWaalsContact O-N 3.14Å; T1587-T1592 WeakPolarHBondContact OG1-CG2 3.37Å; T1587-T1592 PolarHBondContact OG1-OG1 2.83Å; T1587-I1886 WeakPolarHBondContact O-CD1 3.38Å
1588G75.8Confident87.3Confident18 Ų1825.1 Ų25.119%0.18613%0.133CC..  trans63.212175.200000115.8Q1584Q1584-G1588 WeakPolarHBondContact O-CA 3.48Å; Q1584-G1588 PolarHBondContact O-N 3.44Å
1589G79.9Confident87.3Confident1 Ų121.1 Ų21.11%0.0112%0.115CC..  trans-91.9157.3-171.500000114.4Q1584 T1587 I1591 T1592 L1593Q1584-G1589 PolarHBondContact NE2-O 3.4Å; Q1584-G1589 VanDerWaalsContact NE2-O 3.14Å; Q1584-G1589 PolarHBondContact OE1-O 2.91Å; T1587-G1589 PolarHBondContact O-N 2.91Å; T1587-G1589 VanDerWaalsContact O-N 3.14Å; G1589-I1591 VanDerWaalsContact C-N 3.28Å; G1589-T1592 PolarHBondContact O-N 3.18Å; G1589-T1592 PolarHBondContact O-OG1 2.73Å; G1589-L1593 PolarHBondContact O-N 2.97Å
1590L85.2Confident87.2Confident71 Ų7119 Ų1937%0.37211%0.106SC..THydrogen-bonded Turntrans-65-30168.1-77.4170.4000112.5T1592 L1593 P1594 L1658 F1659L1590-T1592 VanDerWaalsContact C-N 3.31Å; L1590-T1592 PolarHBondContact O-N 3.1Å; L1590-L1593 HydrophobicContact CD2-CD2 4.07Å; L1590-L1593 WeakPolarHBondContact O-CB 3.45Å; L1590-L1593 PolarHBondContact O-N 3.23Å; L1590-P1594 VanDerWaalsContact O-CD 3.31Å; L1590-P1594 WeakPolarHBondContact O-CD 3.03Å; L1590-L1658 HydrophobicContact CD1-CD1 3.94Å; L1590-L1658 HydrophobicContact CD1-CD2 3.97Å; L1590-L1658 HydrophobicContact CD1-CG 3.59Å; L1590-L1658 HydrophobicContact CG-CD1 4.33Å; L1590-L1658 HydrophobicContact CG-CG 4.3Å; L1590-L1658 PolarHBondContact N-O 2.96Å; L1590-F1659 HydrophobicContact CB-CD1 4.23Å
1591I87.9Confident86.9Confident36 Ų3622.6 Ų22.619%0.18512%0.121CC..THydrogen-bonded Turntrans-68.5-32.6179.7-65.6179.7000111.4G1589 P1594 Y1621 V1625 F1659 V1661G1589-I1591 VanDerWaalsContact C-N 3.28Å; I1591-P1594 WeakPolarHBondContact O-CD 3.4Å; I1591-Y1621 WeakPolarHBondContact O-CE1 3.3Å; I1591-Y1621 PolarHBondContact O-OH 3.23Å; I1591-V1625 HydrophobicContact CG2-CG1 4.29Å; I1591-V1625 HydrophobicContact CG2-CG2 3.8Å; I1591-F1659 HydrophobicContact CD1-CB 4.15Å; I1591-F1659 HydrophobicContact CD1-CD1 4.41Å; I1591-F1659 HydrophobicContact CG1-CB 4.28Å; I1591-F1659 HydrophobicContact CG1-CD1 4.02Å; I1591-F1659 WeakPolarHBondContact CG1-O 3.49Å; I1591-F1659 PolarHBondContact N-O 2.75Å; I1591-V1661 HydrophobicContact CD1-CG2 3.39Å
1592T88.4Confident86.7Confident1 Ų126.5 Ų26.51%0.00614%0.136CC..THydrogen-bonded Turntrans-87.3-16.7178.646.60000112.7T1583 Q1584 T1587 G1589 L1590 P1594 L1595 P1596T1583-T1592 HydrophobicContact CG2-CG2 4.13Å; Q1584-T1592 PolarHBondContact OE1-O 3.47Å; Q1584-T1592 PolarHBondContact OE1-OG1 3.34Å; T1587-T1592 WeakPolarHBondContact OG1-CG2 3.37Å; T1587-T1592 PolarHBondContact OG1-OG1 2.83Å; G1589-T1592 PolarHBondContact O-N 3.18Å; G1589-T1592 PolarHBondContact O-OG1 2.73Å; L1590-T1592 VanDerWaalsContact C-N 3.31Å; L1590-T1592 PolarHBondContact O-N 3.1Å; T1592-P1594 VanDerWaalsContact C-CD 3.46Å; T1592-L1595 VanDerWaalsContact O-CB 3.3Å; T1592-L1595 WeakPolarHBondContact O-CB 3.44Å; T1592-L1595 PolarHBondContact O-N 2.97Å; T1592-P1596 VanDerWaalsContact O-CD 3.24Å; T1592-P1596 WeakPolarHBondContact O-CD 3.15Å
1593L87.8Confident86.5Confident34 Ų3425.7 Ų25.718%0.17813%0.132CC..THydrogen-bonded Turntrans-56.3-36.8-177.8-175.375.3000114.2G1589 L1590 L1595 P1596 L1597 H1870 F1874G1589-L1593 PolarHBondContact O-N 2.97Å; L1590-L1593 HydrophobicContact CD2-CD2 4.07Å; L1590-L1593 WeakPolarHBondContact O-CB 3.45Å; L1590-L1593 PolarHBondContact O-N 3.23Å; L1593-L1595 PolarHBondContact O-N 3.03Å; L1593-P1596 WeakPolarHBondContact O-CD 3.42Å; L1593-P1596 VanDerWaalsContact O-CG 3.31Å; L1593-P1596 WeakPolarHBondContact O-CG 3.32Å; L1593-L1597 HydrophobicContact CD2-CD1 4.22Å; L1593-L1597 HydrophobicContact CG-CD1 3.92Å; L1593-L1597 HydrophobicContact CG-CG 4.4Å; L1593-L1597 WeakPolarHBondContact O-CG 3.27Å; L1593-L1597 PolarHBondContact O-N 3.19Å; L1593-H1870 VanDerWaalsContact CD1-CD2 3.45Å; L1593-H1870 WeakPolarHBondContact CD1-CD2 3.33Å; L1593-F1874 HydrophobicContact CD1-CD2 4.36Å; L1593-F1874 HydrophobicContact CD1-CE2 4.42Å
1594P90.6Very high86.2Confident44 Ų4426.6 Ų26.629%0.28614%0.137SC..Hα-helixtrans-59.9-27.8175.4-29.239.1000114.1L1590 I1591 T1592 L1597 M1598 Y1621L1590-P1594 VanDerWaalsContact O-CD 3.31Å; L1590-P1594 WeakPolarHBondContact O-CD 3.03Å; I1591-P1594 WeakPolarHBondContact O-CD 3.4Å; T1592-P1594 VanDerWaalsContact C-CD 3.46Å; P1594-L1597 PolarHBondContact O-N 2.83Å; P1594-M1598 VanDerWaalsContact O-CB 3.3Å; P1594-M1598 WeakPolarHBondContact O-CB 3.43Å; P1594-M1598 WeakPolarHBondContact O-CG 3.35Å; P1594-M1598 PolarHBondContact O-N 2.8Å; P1594-Y1621 HydrophobicContact CB-CE1 4.33Å; P1594-Y1621 WeakPolarHBondContact CG-OH 3.49Å
1595L90.2Very high85.9Confident1 Ų127 Ų271%0.00514%0.139CC..Hα-helixtrans-60.5-58-178.9-65.6169.5000112.6A1580 T1583 T1592 L1593 M1598 S1599 Y1621 T1622 L1674A1580-L1595 HydrophobicContact CB-CB 4.3Å; T1583-L1595 HydrophobicContact CG2-CD1 4.13Å; T1592-L1595 VanDerWaalsContact O-CB 3.3Å; T1592-L1595 WeakPolarHBondContact O-CB 3.44Å; T1592-L1595 PolarHBondContact O-N 2.97Å; L1593-L1595 PolarHBondContact O-N 3.03Å; L1595-M1598 PolarHBondContact O-N 2.82Å; L1595-S1599 PolarHBondContact O-N 3.18Å; L1595-Y1621 HydrophobicContact CD2-CD1 3.72Å; L1595-Y1621 HydrophobicContact CD2-CE1 4.28Å; L1595-Y1621 HydrophobicContact CG-CD1 4.12Å; L1595-Y1621 HydrophobicContact CG-CE1 4.18Å; L1595-T1622 HydrophobicContact CD2-CG2 3.87Å; L1595-L1674 HydrophobicContact CD1-CD2 3.95Å; L1595-L1674 HydrophobicContact CD2-CD2 4.36Å
1596P87.6Confident85.4Confident0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-66.1-36176.425.8-35.3000112.5I1581 Q1584 T1592 L1593 M1598 S1599 L1600I1581-P1596 HydrophobicContact CG1-CB 4.15Å; Q1584-P1596 HydrophobicContact CB-CG 3.78Å; Q1584-P1596 HydrophobicContact CG-CG 3.95Å; T1592-P1596 VanDerWaalsContact O-CD 3.24Å; T1592-P1596 WeakPolarHBondContact O-CD 3.15Å; L1593-P1596 WeakPolarHBondContact O-CD 3.42Å; L1593-P1596 VanDerWaalsContact O-CG 3.31Å; L1593-P1596 WeakPolarHBondContact O-CG 3.32Å; P1596-M1598 PolarHBondContact O-N 2.8Å; P1596-S1599 WeakPolarHBondContact CA-OG 3.35Å; P1596-S1599 PolarHBondContact O-N 2.58Å; P1596-S1599 VanDerWaalsContact O-N 3.12Å; P1596-S1599 PolarHBondContact O-OG 3.11Å; P1596-L1600 WeakPolarHBondContact O-CB 3.32Å; P1596-L1600 WeakPolarHBondContact O-CG 3.25Å; P1596-L1600 PolarHBondContact O-N 3.22Å
1597L88.4Confident84.7Confident46 Ų4626.3 Ų26.324%0.24114%0.138CC..Hα-helixtrans-62.3-43.1177.8-67180000112L1593 P1594 S1599 L1600 F1601 I1866L1593-L1597 HydrophobicContact CD2-CD1 4.22Å; L1593-L1597 HydrophobicContact CG-CD1 3.92Å; L1593-L1597 HydrophobicContact CG-CG 4.4Å; L1593-L1597 WeakPolarHBondContact O-CG 3.27Å; L1593-L1597 PolarHBondContact O-N 3.19Å; P1594-L1597 PolarHBondContact O-N 2.83Å; L1597-S1599 VanDerWaalsContact C-N 3.31Å; L1597-S1599 PolarHBondContact O-N 3.29Å; L1597-L1600 PolarHBondContact O-N 2.95Å; L1597-F1601 HydrophobicContact CB-CD2 4.35Å; L1597-F1601 HydrophobicContact CD2-CD2 4.39Å; L1597-F1601 HydrophobicContact CD2-CE2 3.89Å; L1597-F1601 WeakPolarHBondContact O-CB 3.02Å; L1597-F1601 PolarHBondContact O-N 2.82Å; L1597-I1866 HydrophobicContact CD2-CG2 4.14Å
1598M89.7Confident84.1Confident34 Ų3429 Ų2917%0.16716%0.155CC..Hα-helixtrans-61-40.2173-74.4174.965.200111.4P1594 L1595 P1596 W1602 G1603 F1614 T1617P1594-M1598 VanDerWaalsContact O-CB 3.3Å; P1594-M1598 WeakPolarHBondContact O-CB 3.43Å; P1594-M1598 WeakPolarHBondContact O-CG 3.35Å; P1594-M1598 PolarHBondContact O-N 2.8Å; L1595-M1598 PolarHBondContact O-N 2.82Å; P1596-M1598 PolarHBondContact O-N 2.8Å; M1598-W1602 WeakPolarHBondContact O-CA 3.36Å; M1598-W1602 VanDerWaalsContact O-CB 3.3Å; M1598-W1602 WeakPolarHBondContact O-CB 3.41Å; M1598-W1602 PolarHBondContact O-N 3.03Å; M1598-G1603 PolarHBondContact O-N 2.75Å; M1598-F1614 HydrophobicContact CB-CE2 4.16Å; M1598-F1614 HydrophobicContact CE-CD2 4.43Å; M1598-F1614 HydrophobicContact CE-CE2 4.44Å; M1598-T1617 HydrophobicContact CE-CG2 3.84Å
1599S89.2Confident83.9Confident0 Ų031.5 Ų31.50%016%0.159CC..Iπ-helixtrans-66.1-40.4177.876.90000113.2L1595 P1596 L1597 G1603 N1604L1595-S1599 PolarHBondContact O-N 3.18Å; P1596-S1599 WeakPolarHBondContact CA-OG 3.35Å; P1596-S1599 PolarHBondContact O-N 2.58Å; P1596-S1599 VanDerWaalsContact O-N 3.12Å; P1596-S1599 PolarHBondContact O-OG 3.11Å; L1597-S1599 VanDerWaalsContact C-N 3.31Å; L1597-S1599 PolarHBondContact O-N 3.29Å; S1599-G1603 PolarHBondContact O-N 2.56Å; S1599-N1604 PolarHBondContact O-N 2.54Å
1600L87.7Confident83.8Confident0 Ų032.2 Ų32.20%016%0.163CC..Iπ-helixtrans-81.1-38.1-175.2-67.4175.3000113.1P1596 L1597 I1866 F1902 L1903P1596-L1600 WeakPolarHBondContact O-CB 3.32Å; P1596-L1600 WeakPolarHBondContact O-CG 3.25Å; P1596-L1600 PolarHBondContact O-N 3.22Å; L1597-L1600 PolarHBondContact O-N 2.95Å; L1600-I1866 HydrophobicContact CB-CD1 4.19Å; L1600-I1866 HydrophobicContact CD1-CD1 4.36Å; L1600-I1866 HydrophobicContact CD1-CG2 4.41Å; L1600-F1902 HydrophobicContact CD2-CB 3.91Å; L1600-L1903 HydrophobicContact CD2-CD2 3.91Å; L1600-L1903 HydrophobicContact CD2-CG 4.12Å
1601F85.4Confident83.5Confident75 Ų7530.9 Ų30.933%0.32916%0.16SC..Iπ-helixtrans-93.1-30-178.3-67.9-47.3000114.2L1597 L1605 V1863 I1866L1597-F1601 HydrophobicContact CB-CD2 4.35Å; L1597-F1601 HydrophobicContact CD2-CD2 4.39Å; L1597-F1601 HydrophobicContact CD2-CE2 3.89Å; L1597-F1601 WeakPolarHBondContact O-CB 3.02Å; L1597-F1601 PolarHBondContact O-N 2.82Å; F1601-L1605 WeakPolarHBondContact O-CD1 3.46Å; F1601-V1863 HydrophobicContact CE1-CG2 4.16Å; F1601-I1866 HydrophobicContact CD1-CD1 4.41Å; F1601-I1866 HydrophobicContact CE1-CB 4.37Å; F1601-I1866 HydrophobicContact CE1-CD1 3.84Å; F1601-I1866 HydrophobicContact CE1-CG2 4.19Å; F1601-I1866 HydrophobicContact CE2-CG2 4.19Å; F1601-I1866 HydrophobicContact CZ-CB 4.14Å; F1601-I1866 HydrophobicContact CZ-CD1 4.37Å; F1601-I1866 HydrophobicContact CZ-CG2 3.62Å
1602W86.5Confident83.3Confident86 Ų8633.9 Ų33.933%0.32617%0.172SC..Iπ-helixtrans-113.5-52.8-175.7-170.73.4000112.4M1598 S1606 F1613 F1614M1598-W1602 WeakPolarHBondContact O-CA 3.36Å; M1598-W1602 VanDerWaalsContact O-CB 3.3Å; M1598-W1602 WeakPolarHBondContact O-CB 3.41Å; M1598-W1602 PolarHBondContact O-N 3.03Å; W1602-S1606 WeakPolarHBondContact O-CB 3.48Å; W1602-S1606 PolarHBondContact O-N 2.78Å; W1602-F1613 AromaticContact CH2-CD1 3.47Å; W1602-F1613 HydrophobicContact CH2-CD1 3.47Å; W1602-F1613 VanDerWaalsContact CH2-CD1 3.47Å; W1602-F1613 AromaticContact CH2-CE1 3.66Å; W1602-F1613 HydrophobicContact CH2-CE1 3.66Å; W1602-F1613 AromaticContact CZ2-CD1 3.91Å; W1602-F1613 HydrophobicContact CZ2-CD1 3.91Å; W1602-F1613 HydrophobicContact CZ2-CE1 4.48Å; W1602-F1614 HydrophobicContact CB-CD2 4.32Å; W1602-F1614 HydrophobicContact CB-CE2 4.45Å; W1602-F1614 HydrophobicContact CD2-CB 4.45Å; W1602-F1614 AromaticContact CD2-CD2 3.84Å; W1602-F1614 HydrophobicContact CD2-CD2 3.84Å; W1602-F1614 AromaticContact CE3-CD2 3.96Å; W1602-F1614 HydrophobicContact CE3-CD2 3.96Å; W1602-F1614 AromaticContact CG-CD2 4Å; W1602-F1614 HydrophobicContact CG-CD2 4Å; W1602-F1614 HydrophobicContact CZ2-CB 4.41Å
1603G84Confident83.2Confident1 Ų140.4 Ų40.41%0.0120%0.2CC..Iπ-helixtrans-56.5-60.9-175.200000112.3Y1577 M1598 S1599 S1606Y1577-G1603 VanDerWaalsContact OH-CA 3.23Å; Y1577-G1603 WeakPolarHBondContact OH-CA 3.43Å; Y1577-G1603 PolarHBondContact OH-O 3.37Å; M1598-G1603 PolarHBondContact O-N 2.75Å; S1599-G1603 PolarHBondContact O-N 2.56Å; G1603-S1606 PolarHBondContact O-OG 2.75Å
1604N83.7Confident83.2Confident19 Ų1938.8 Ų38.810%0.10219%0.192CC..THydrogen-bonded Turntrans-81.9-22.9-171.3-158.525.4000114.9S1599 L1903 A1906S1599-N1604 PolarHBondContact O-N 2.54Å; N1604-L1903 HydrophobicContact CB-CD2 4.25Å; N1604-L1903 WeakPolarHBondContact ND2-CA 3.35Å; N1604-L1903 PolarHBondContact ND2-O 3.38Å; N1604-A1906 HydrophobicContact CB-CB 4.11Å; N1604-A1906 WeakPolarHBondContact ND2-CB 3.28Å
1605L82.7Confident83.3Confident10 Ų1037 Ų375%0.05218%0.179CC..THydrogen-bonded Turntrans-80.1-14.6176.4-72.7175.2000113.1F1601 F1774 L1778 L1859 A1906 I1909F1601-L1605 WeakPolarHBondContact O-CD1 3.46Å; L1605-F1774 HydrophobicContact CB-CE1 4.36Å; L1605-F1774 HydrophobicContact CB-CZ 3.86Å; L1605-L1778 HydrophobicContact CD2-CD1 4.43Å; L1605-L1778 HydrophobicContact CD2-CD2 4.42Å; L1605-L1778 WeakPolarHBondContact O-CD1 3.35Å; L1605-L1859 HydrophobicContact CD1-CD1 4.32Å; L1605-A1906 HydrophobicContact CD2-CB 3.97Å; L1605-A1906 HydrophobicContact CG-CB 4.33Å; L1605-I1909 HydrophobicContact CD2-CB 4.35Å; L1605-I1909 HydrophobicContact CD2-CG2 4.1Å
1606S78.6Confident83.3Confident9 Ų938.9 Ų38.96%0.06319%0.19CC..SBendtrans-71.6133.3177.365.90000112.8W1602 G1603 P1610W1602-S1606 WeakPolarHBondContact O-CB 3.48Å; W1602-S1606 PolarHBondContact O-N 2.78Å; G1603-S1606 PolarHBondContact O-OG 2.75Å; S1606-P1610 VanDerWaalsContact OG-CA 3.23Å; S1606-P1610 WeakPolarHBondContact OG-CA 3.43Å
1607N69.8Low83.4Confident52 Ų5241 Ų4128%0.27820%0.203SC..SBendtrans-116.2130.7177.4-171.5-5.5000110P1781 F1783 R1910N1607-P1781 WeakPolarHBondContact ND2-CB 3.3Å; N1607-F1783 PolarHBondContact ND2-O 3.14Å; N1607-R1910 HydrophobicContact CB-CG 4.16Å
1608P66.8Low83.6Confident70 Ų7038.8 Ų38.846%0.45519%0.192SC..SBendcis-85.6-14.3-4.232.9-35000114.9
1609R70.9Confident83.6Confident71 Ų7137.2 Ų37.227%0.26818%0.184SC..SBendtrans-152158-178.968.5-174.1-170.6-167.17111.4L1690 K1692 D1693R1609-L1690 PolarHBondContact NH2-O 2.89Å; R1609-K1692 PolarHBondContact NH2-O 2.95Å; R1609-D1693 IonicContact NH2-OD1 2.67Å
1610P78Confident83.7Confident17 Ų1740 Ų4011%0.1120%0.201CC..  trans-63.9146.2173.7-15.526.9000111.9Y1577 S1606 F1614 W1615Y1577-P1610 WeakPolarHBondContact OH-CG 3.49Å; S1606-P1610 VanDerWaalsContact OG-CA 3.23Å; S1606-P1610 WeakPolarHBondContact OG-CA 3.43Å; P1610-F1614 HydrophobicContact CB-CB 4.25Å; P1610-F1614 HydrophobicContact CB-CD1 3.51Å; P1610-F1614 HydrophobicContact CB-CE1 4.12Å; P1610-F1614 HydrophobicContact CB-CG 4.02Å; P1610-F1614 HydrophobicContact CG-CD1 4.31Å; P1610-F1614 HydrophobicContact CG-CE1 4.47Å; P1610-W1615 HydrophobicContact CB-CZ2 4.39Å; P1610-W1615 HydrophobicContact CG-CZ2 3.98Å
1611S78.7Confident83.9Confident43 Ų4343.3 Ų43.330%0.30121%0.214SC..  trans-67.2158.6179.169.50000112F1613 F1614S1611-F1613 PolarHBondContact O-N 2.95Å; S1611-F1614 WeakPolarHBondContact O-CB 3.47Å; S1611-F1614 PolarHBondContact O-N 3.49Å; S1611-F1614 PolarHBondContact OG-N 3.23Å
1612K83.8Confident84.2Confident98 Ų9839.8 Ų39.843%0.42620%0.199SC..Hα-helixtrans-54.8-36.9169.4176.9-168.6167.6-160.30111.5F1614 W1615 V1616 W1691K1612-F1614 VanDerWaalsContact C-N 3.32Å; K1612-F1614 PolarHBondContact O-N 2.95Å; K1612-W1615 PolarHBondContact O-N 2.81Å; K1612-V1616 HydrophobicContact CG-CG2 4.16Å; K1612-V1616 WeakPolarHBondContact O-CG2 3.27Å; K1612-V1616 PolarHBondContact O-N 3.24Å; K1612-W1691 HydrophobicContact CG-CZ2 4.13Å
1613F86.3Confident84.4Confident138 Ų13837.2 Ų37.261%0.60519%0.19SC*.Hα-helixtrans-62.7-39.5-179.1-176.4-111.8000111.8W1602 S1611 T1617W1602-F1613 AromaticContact CH2-CD1 3.47Å; W1602-F1613 HydrophobicContact CH2-CD1 3.47Å; W1602-F1613 VanDerWaalsContact CH2-CD1 3.47Å; W1602-F1613 AromaticContact CH2-CE1 3.66Å; W1602-F1613 HydrophobicContact CH2-CE1 3.66Å; W1602-F1613 AromaticContact CZ2-CD1 3.91Å; W1602-F1613 HydrophobicContact CZ2-CD1 3.91Å; W1602-F1613 HydrophobicContact CZ2-CE1 4.48Å; S1611-F1613 PolarHBondContact O-N 2.95Å; F1613-T1617 WeakPolarHBondContact O-CB 3.29Å; F1613-T1617 PolarHBondContact O-N 2.83Å; F1613-T1617 PolarHBondContact O-OG1 2.81Å
1614F88.8Confident84.7Confident0 Ų040.2 Ų40.20%021%0.21CC..Hα-helixtrans-56.4-53.2173.4168.9-97.6000111.7Y1577 M1598 W1602 P1610 S1611 K1612 V1616 T1617 M1618Y1577-F1614 AromaticContact CE1-CE1 3.9Å; Y1577-F1614 HydrophobicContact CE1-CE1 3.9Å; Y1577-F1614 AromaticContact CE1-CZ 3.78Å; Y1577-F1614 HydrophobicContact CE1-CZ 3.78Å; M1598-F1614 HydrophobicContact CB-CE2 4.16Å; M1598-F1614 HydrophobicContact CE-CD2 4.43Å; M1598-F1614 HydrophobicContact CE-CE2 4.44Å; W1602-F1614 HydrophobicContact CB-CD2 4.32Å; W1602-F1614 HydrophobicContact CB-CE2 4.45Å; W1602-F1614 HydrophobicContact CD2-CB 4.45Å; W1602-F1614 AromaticContact CD2-CD2 3.84Å; W1602-F1614 HydrophobicContact CD2-CD2 3.84Å; W1602-F1614 AromaticContact CE3-CD2 3.96Å; W1602-F1614 HydrophobicContact CE3-CD2 3.96Å; W1602-F1614 AromaticContact CG-CD2 4Å; W1602-F1614 HydrophobicContact CG-CD2 4Å; W1602-F1614 HydrophobicContact CZ2-CB 4.41Å; P1610-F1614 HydrophobicContact CB-CB 4.25Å; P1610-F1614 HydrophobicContact CB-CD1 3.51Å; P1610-F1614 HydrophobicContact CB-CE1 4.12Å; P1610-F1614 HydrophobicContact CB-CG 4.02Å; P1610-F1614 HydrophobicContact CG-CD1 4.31Å; P1610-F1614 HydrophobicContact CG-CE1 4.47Å; S1611-F1614 WeakPolarHBondContact O-CB 3.47Å; S1611-F1614 PolarHBondContact O-N 3.49Å; S1611-F1614 PolarHBondContact OG-N 3.23Å; K1612-F1614 VanDerWaalsContact C-N 3.32Å; K1612-F1614 PolarHBondContact O-N 2.95Å; F1614-V1616 PolarHBondContact O-N 2.86Å; F1614-T1617 PolarHBondContact O-N 2.98Å; F1614-M1618 HydrophobicContact CE1-SD 4.03Å; F1614-M1618 HydrophobicContact CZ-SD 3.82Å; F1614-M1618 WeakPolarHBondContact O-CB 3.44Å; F1614-M1618 PolarHBondContact O-N 2.99Å
1615W91.5Very high85Confident8 Ų839.4 Ų39.43%0.0321%0.206CC..Hα-helixtrans-67.1-37.7-177.8-65.4112.5000113.7D1573 C1576 Y1577 P1610 K1612 M1618 I1619 L1678 H1681 W1691D1573-W1615 HydrophobicContact CB-CH2 4.21Å; D1573-W1615 HydrophobicContact CB-CZ2 4.16Å; C1576-W1615 HydrophobicContact CB-CH2 4.04Å; C1576-W1615 HydrophobicContact CB-CZ3 3.75Å; Y1577-W1615 AromaticContact CE1-CH2 3.89Å; Y1577-W1615 HydrophobicContact CE1-CH2 3.89Å; P1610-W1615 HydrophobicContact CB-CZ2 4.39Å; P1610-W1615 HydrophobicContact CG-CZ2 3.98Å; K1612-W1615 PolarHBondContact O-N 2.81Å; W1615-M1618 HydrophobicContact CE3-SD 4.16Å; W1615-M1618 HydrophobicContact CZ3-SD 3.97Å; W1615-M1618 PolarHBondContact O-N 3.35Å; W1615-I1619 WeakPolarHBondContact O-CG1 3.29Å; W1615-I1619 PolarHBondContact O-N 2.93Å; W1615-L1678 HydrophobicContact CE3-CD2 3.73Å; W1615-L1678 HydrophobicContact CZ3-CD2 3.78Å; W1615-H1681 AromaticContact CD2-CD2 3.57Å; W1615-H1681 AromaticContact CD2-NE2 3.72Å; W1615-H1681 AromaticContact CE2-CD2 3.53Å; W1615-H1681 AromaticContact CE2-NE2 3.14Å; W1615-H1681 AromaticContact CE3-CD2 3.68Å; W1615-H1681 AromaticContact CH2-CD2 3.74Å; W1615-H1681 AromaticContact CH2-NE2 3.67Å; W1615-H1681 AromaticContact CZ2-CD2 3.63Å; W1615-H1681 AromaticContact CZ2-CE1 3.93Å; W1615-H1681 AromaticContact CZ2-NE2 3.12Å; W1615-H1681 WeakPolarHBondContact CZ2-NE2 3.28Å; W1615-H1681 AromaticContact CZ3-CD2 3.76Å; W1615-H1681 AromaticContact NE1-NE2 3.53Å; W1615-W1691 HydrophobicContact CB-CH2 4.08Å; W1615-W1691 HydrophobicContact CB-CZ3 3.94Å
1616V90.1Very high85.2Confident39 Ų3939.2 Ų39.224%0.23621%0.205CC..Hα-helixtrans-65.4-41.9175.2172.60000110.7K1612 F1614 M1618 I1619 T1620 W1691K1612-V1616 HydrophobicContact CG-CG2 4.16Å; K1612-V1616 WeakPolarHBondContact O-CG2 3.27Å; K1612-V1616 PolarHBondContact O-N 3.24Å; F1614-V1616 PolarHBondContact O-N 2.86Å; V1616-M1618 VanDerWaalsContact C-N 3.34Å; V1616-I1619 PolarHBondContact O-N 2.67Å; V1616-T1620 WeakPolarHBondContact O-CB 3.35Å; V1616-T1620 PolarHBondContact O-N 2.91Å; V1616-T1620 PolarHBondContact O-OG1 2.9Å; V1616-W1691 HydrophobicContact CG2-CH2 3.92Å; V1616-W1691 HydrophobicContact CG2-CZ2 3.64Å
1617T91.2Very high85.6Confident44 Ų4441.6 Ų41.627%0.2722%0.219SC..Hα-helixtrans-63.6-43.2176.5-54.20000110.4M1598 F1613 F1614 T1620 Y1621M1598-T1617 HydrophobicContact CE-CG2 3.84Å; F1613-T1617 WeakPolarHBondContact O-CB 3.29Å; F1613-T1617 PolarHBondContact O-N 2.83Å; F1613-T1617 PolarHBondContact O-OG1 2.81Å; F1614-T1617 PolarHBondContact O-N 2.98Å; T1617-T1620 PolarHBondContact O-N 3.36Å; T1617-Y1621 WeakPolarHBondContact O-CB 3.43Å; T1617-Y1621 PolarHBondContact O-N 3.29Å
1618M91.1Very high86.4Confident1 Ų143 Ų431%0.00523%0.226CC..Hα-helixtrans-62.2-45.8177.9-164.5168.6169.400112.1C1576 A1580 F1614 W1615 V1616 T1622 L1674 L1678C1576-M1618 HydrophobicContact CB-CE 4.49Å; A1580-M1618 HydrophobicContact CB-CE 3.79Å; F1614-M1618 HydrophobicContact CE1-SD 4.03Å; F1614-M1618 HydrophobicContact CZ-SD 3.82Å; F1614-M1618 WeakPolarHBondContact O-CB 3.44Å; F1614-M1618 PolarHBondContact O-N 2.99Å; W1615-M1618 HydrophobicContact CE3-SD 4.16Å; W1615-M1618 HydrophobicContact CZ3-SD 3.97Å; W1615-M1618 PolarHBondContact O-N 3.35Å; V1616-M1618 VanDerWaalsContact C-N 3.34Å; M1618-T1622 WeakPolarHBondContact O-CG2 3.17Å; M1618-T1622 PolarHBondContact O-N 2.9Å; M1618-T1622 PolarHBondContact O-OG1 2.75Å; M1618-L1674 HydrophobicContact CE-CD1 3.98Å; M1618-L1678 HydrophobicContact CB-CD2 4.35Å; M1618-L1678 HydrophobicContact CE-CD1 4.46Å; M1618-L1678 HydrophobicContact CE-CD2 3.86Å; M1618-L1678 HydrophobicContact CG-CD1 3.95Å; M1618-L1678 HydrophobicContact CG-CD2 3.87Å; M1618-L1678 HydrophobicContact SD-CD2 3.74Å
1619I91.1Very high87.4Confident1 Ų140 Ų401%0.00521%0.206CC..Hα-helixtrans-62.1-51.4175.8-69164.9000111W1160 W1615 V1616 Y1621 T1622 E1623 L1678 F1679 R1682 W1691W1160-I1619 HydrophobicContact CZ3-CG2 4.3Å; W1615-I1619 WeakPolarHBondContact O-CG1 3.29Å; W1615-I1619 PolarHBondContact O-N 2.93Å; V1616-I1619 PolarHBondContact O-N 2.67Å; I1619-Y1621 VanDerWaalsContact C-N 3.29Å; I1619-Y1621 PolarHBondContact O-N 3.45Å; I1619-T1622 WeakPolarHBondContact CA-OG1 3.47Å; I1619-T1622 PolarHBondContact O-N 2.79Å; I1619-T1622 VanDerWaalsContact O-N 3.16Å; I1619-T1622 PolarHBondContact O-OG1 2.99Å; I1619-E1623 HydrophobicContact CG2-CG 4.4Å; I1619-E1623 WeakPolarHBondContact O-CG 3.43Å; I1619-E1623 PolarHBondContact O-N 2.8Å; I1619-L1678 HydrophobicContact CD1-CB 4.39Å; I1619-L1678 HydrophobicContact CG1-CB 3.72Å; I1619-L1678 HydrophobicContact CG1-CD1 4.16Å; I1619-L1678 HydrophobicContact CG1-CG 4.37Å; I1619-F1679 HydrophobicContact CG2-CE2 4.08Å; I1619-F1679 HydrophobicContact CG2-CZ 4.09Å; I1619-R1682 HydrophobicContact CD1-CB 4.38Å; I1619-W1691 HydrophobicContact CD1-CH2 4.48Å
1620T91Very high88.2Confident58 Ų5836.7 Ų36.736%0.35619%0.193SC..Hα-helixtrans-62.6-39.8-177.1-48.30000110.8V1616 T1617 E1623 C1624V1616-T1620 WeakPolarHBondContact O-CB 3.35Å; V1616-T1620 PolarHBondContact O-N 2.91Å; V1616-T1620 PolarHBondContact O-OG1 2.9Å; T1617-T1620 PolarHBondContact O-N 3.36Å; T1620-E1623 PolarHBondContact O-N 3.5Å; T1620-C1624 WeakPolarHBondContact O-CB 3.37Å; T1620-C1624 PolarHBondContact O-N 3.26Å; T1620-C1624 PolarHBondContact O-SG 3.34Å
1621Y92.6Very high88.5Confident70 Ų7038.7 Ų38.728%0.27521%0.205SC..Hα-helixtrans-64-44.3175.7-167.9-95.6000111.3I1591 P1594 L1595 T1617 I1619 E1623 C1624 V1625I1591-Y1621 WeakPolarHBondContact O-CE1 3.3Å; I1591-Y1621 PolarHBondContact O-OH 3.23Å; P1594-Y1621 HydrophobicContact CB-CE1 4.33Å; P1594-Y1621 WeakPolarHBondContact CG-OH 3.49Å; L1595-Y1621 HydrophobicContact CD2-CD1 3.72Å; L1595-Y1621 HydrophobicContact CD2-CE1 4.28Å; L1595-Y1621 HydrophobicContact CG-CD1 4.12Å; L1595-Y1621 HydrophobicContact CG-CE1 4.18Å; T1617-Y1621 WeakPolarHBondContact O-CB 3.43Å; T1617-Y1621 PolarHBondContact O-N 3.29Å; I1619-Y1621 VanDerWaalsContact C-N 3.29Å; I1619-Y1621 PolarHBondContact O-N 3.45Å; Y1621-E1623 PolarHBondContact O-N 2.82Å; Y1621-C1624 PolarHBondContact O-N 3.02Å; Y1621-V1625 HydrophobicContact CD1-CG2 3.84Å; Y1621-V1625 HydrophobicContact CE1-CG2 3.56Å; Y1621-V1625 WeakPolarHBondContact O-CB 3.03Å; Y1621-V1625 VanDerWaalsContact O-CG2 3.25Å; Y1621-V1625 WeakPolarHBondContact O-CG2 3.41Å; Y1621-V1625 PolarHBondContact O-N 3Å
1622T91.9Very high88.9Confident0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-63.4-39.4175.553.40000113L1595 M1618 I1619 V1625 I1626 L1674 L1678L1595-T1622 HydrophobicContact CD2-CG2 3.87Å; M1618-T1622 WeakPolarHBondContact O-CG2 3.17Å; M1618-T1622 PolarHBondContact O-N 2.9Å; M1618-T1622 PolarHBondContact O-OG1 2.75Å; I1619-T1622 WeakPolarHBondContact CA-OG1 3.47Å; I1619-T1622 PolarHBondContact O-N 2.79Å; I1619-T1622 VanDerWaalsContact O-N 3.16Å; I1619-T1622 PolarHBondContact O-OG1 2.99Å; T1622-V1625 PolarHBondContact O-N 2.67Å; T1622-I1626 VanDerWaalsContact O-CG1 3.28Å; T1622-I1626 WeakPolarHBondContact O-CG1 3.24Å; T1622-I1626 PolarHBondContact O-N 3.45Å; T1622-L1674 HydrophobicContact CG2-CD2 3.58Å; T1622-L1674 HydrophobicContact CG2-CG 4.03Å; T1622-L1678 HydrophobicContact CG2-CD1 3.9Å
1623E90.4Very high89Confident32 Ų3233.4 Ų33.415%0.1518%0.179CC..Hα-helixtrans-63.1-46174.6-71.6176.8173.200111.1L1156 I1619 T1620 Y1621 V1625 I1626 V1627 L1675 F1679L1156-E1623 HydrophobicContact CD2-CG 4.28Å; I1619-E1623 HydrophobicContact CG2-CG 4.4Å; I1619-E1623 WeakPolarHBondContact O-CG 3.43Å; I1619-E1623 PolarHBondContact O-N 2.8Å; T1620-E1623 PolarHBondContact O-N 3.5Å; Y1621-E1623 PolarHBondContact O-N 2.82Å; E1623-V1625 PolarHBondContact O-N 3.43Å; E1623-I1626 PolarHBondContact O-N 2.79Å; E1623-V1627 WeakPolarHBondContact O-CG2 3.47Å; E1623-V1627 PolarHBondContact O-N 3.2Å; E1623-L1675 HydrophobicContact CG-CD1 3.72Å; E1623-F1679 WeakPolarHBondContact OE1-CZ 3.49Å
1624C89.4Confident88.8Confident64 Ų6427.4 Ų27.443%0.43215%0.153SC..Hα-helixtrans-60.5-42.9174.5-72.50000112.1T1620 Y1621 V1627 I1628T1620-C1624 WeakPolarHBondContact O-CB 3.37Å; T1620-C1624 PolarHBondContact O-N 3.26Å; T1620-C1624 PolarHBondContact O-SG 3.34Å; Y1621-C1624 PolarHBondContact O-N 3.02Å; C1624-V1627 PolarHBondContact O-N 3.47Å; C1624-I1628 WeakPolarHBondContact O-CB 3.44Å; C1624-I1628 WeakPolarHBondContact O-CD1 3.38Å; C1624-I1628 WeakPolarHBondContact O-CG1 3.27Å; C1624-I1628 PolarHBondContact O-N 3.07Å
1625V89.2Confident88.2Confident2 Ų229.2 Ų29.21%0.01217%0.168CC..Hα-helixtrans-63.2-42177.5170.40000111I1591 Y1621 T1622 E1623 I1628 K1629I1591-V1625 HydrophobicContact CG2-CG1 4.29Å; I1591-V1625 HydrophobicContact CG2-CG2 3.8Å; Y1621-V1625 HydrophobicContact CD1-CG2 3.84Å; Y1621-V1625 HydrophobicContact CE1-CG2 3.56Å; Y1621-V1625 WeakPolarHBondContact O-CB 3.03Å; Y1621-V1625 VanDerWaalsContact O-CG2 3.25Å; Y1621-V1625 WeakPolarHBondContact O-CG2 3.41Å; Y1621-V1625 PolarHBondContact O-N 3Å; T1622-V1625 PolarHBondContact O-N 2.67Å; E1623-V1625 PolarHBondContact O-N 3.43Å; V1625-I1628 PolarHBondContact O-N 3.36Å; V1625-K1629 HydrophobicContact CG1-CD 3.88Å; V1625-K1629 HydrophobicContact CG1-CG 4.2Å; V1625-K1629 VanDerWaalsContact O-CB 3.26Å; V1625-K1629 WeakPolarHBondContact O-CB 3.27Å; V1625-K1629 VanDerWaalsContact O-CG 3.25Å; V1625-K1629 WeakPolarHBondContact O-CG 3.35Å; V1625-K1629 PolarHBondContact O-N 3.32Å
1626I88.4Confident87.6Confident7 Ų732.8 Ų32.84%0.03618%0.184CC..Hα-helixtrans-62.8-46176.9-69164.8000110.6T1622 E1623 K1629 F1630 D1671 I1672 L1675T1622-I1626 VanDerWaalsContact O-CG1 3.28Å; T1622-I1626 WeakPolarHBondContact O-CG1 3.24Å; T1622-I1626 PolarHBondContact O-N 3.45Å; E1623-I1626 PolarHBondContact O-N 2.79Å; I1626-K1629 PolarHBondContact O-N 2.72Å; I1626-F1630 VanDerWaalsContact O-CB 3.28Å; I1626-F1630 WeakPolarHBondContact O-CB 3.22Å; I1626-F1630 PolarHBondContact O-N 3.19Å; I1626-D1671 HydrophobicContact CD1-CB 4.12Å; I1626-D1671 HydrophobicContact CG1-CB 3.69Å; I1626-I1672 HydrophobicContact CD1-CG1 4.29Å; I1626-L1675 HydrophobicContact CD1-CB 4.27Å; I1626-L1675 HydrophobicContact CD1-CD2 3.9Å; I1626-L1675 HydrophobicContact CD1-CG 4.49Å
1627V86.9Confident87.2Confident58 Ų5832.9 Ų32.935%0.35218%0.182SC..Hα-helixtrans-65.6-44.7178.9174.70000111.3E1623 C1624 F1630 V1631E1623-V1627 WeakPolarHBondContact O-CG2 3.47Å; E1623-V1627 PolarHBondContact O-N 3.2Å; C1624-V1627 PolarHBondContact O-N 3.47Å; V1627-F1630 PolarHBondContact O-N 3.41Å; V1627-V1631 HydrophobicContact CG1-CG2 4.45Å; V1627-V1631 VanDerWaalsContact O-CG2 3.32Å; V1627-V1631 WeakPolarHBondContact O-CG2 3.33Å; V1627-V1631 PolarHBondContact O-N 3.23Å
1628I87.2Confident86.7Confident83 Ų8335.5 Ų35.543%0.42620%0.2SC..Hα-helixtrans-62.3-47.6177.1-70.4166.4000110.3C1624 V1625 F1630 V1631 C1632C1624-I1628 WeakPolarHBondContact O-CB 3.44Å; C1624-I1628 WeakPolarHBondContact O-CD1 3.38Å; C1624-I1628 WeakPolarHBondContact O-CG1 3.27Å; C1624-I1628 PolarHBondContact O-N 3.07Å; V1625-I1628 PolarHBondContact O-N 3.36Å; I1628-F1630 VanDerWaalsContact C-N 3.33Å; I1628-F1630 PolarHBondContact O-N 3.34Å; I1628-V1631 PolarHBondContact O-N 3.22Å; I1628-C1632 WeakPolarHBondContact O-CB 3.23Å; I1628-C1632 PolarHBondContact O-N 3.41Å; I1628-C1632 PolarHBondContact O-SG 2.7Å
1629K87.1Confident86.3Confident7 Ų738 Ų383%0.0321%0.209CC..Hα-helixtrans-60.1-43.8177.2-75.6-179.1176.8179.10111.2V1625 I1626 C1632 Q1633 F1667 D1671V1625-K1629 HydrophobicContact CG1-CD 3.88Å; V1625-K1629 HydrophobicContact CG1-CG 4.2Å; V1625-K1629 VanDerWaalsContact O-CB 3.26Å; V1625-K1629 WeakPolarHBondContact O-CB 3.27Å; V1625-K1629 VanDerWaalsContact O-CG 3.25Å; V1625-K1629 WeakPolarHBondContact O-CG 3.35Å; V1625-K1629 PolarHBondContact O-N 3.32Å; I1626-K1629 PolarHBondContact O-N 2.72Å; K1629-C1632 PolarHBondContact O-N 3.32Å; K1629-Q1633 WeakPolarHBondContact O-CG 3.48Å; K1629-Q1633 PolarHBondContact O-N 3.5Å; K1629-Q1633 VanDerWaalsContact O-N 3.16Å; K1629-F1667 HydrophobicContact CB-CD2 3.84Å; K1629-F1667 HydrophobicContact CB-CE2 4.21Å; K1629-D1671 VanDerWaalsContact NZ-CG 3.35Å; K1629-D1671 IonicContact NZ-OD1 2.78Å; K1629-D1671 PolarHBondContact NZ-OD1 2.95Å; K1629-D1671 IonicContact NZ-OD2 2.76Å; K1629-D1671 PolarHBondContact NZ-OD2 2.96Å
1630F86.6Confident85.7Confident1 Ų138.3 Ų38.30%0.00421%0.211CC..Hα-helixtrans-60.3-47.7177-178.9-86.2000111.8A1148 L1149 I1152 I1626 V1627 I1628 C1632 Q1633 F1634 F1667A1148-F1630 HydrophobicContact CB-CE2 4.32Å; A1148-F1630 HydrophobicContact CB-CZ 4.19Å; L1149-F1630 HydrophobicContact CB-CE1 3.81Å; L1149-F1630 HydrophobicContact CB-CZ 4.11Å; L1149-F1630 HydrophobicContact CD1-CD1 3.94Å; L1149-F1630 HydrophobicContact CD1-CE1 3.83Å; L1149-F1630 HydrophobicContact CG-CE1 4.34Å; I1152-F1630 HydrophobicContact CD1-CD2 3.54Å; I1152-F1630 HydrophobicContact CD1-CE2 3.71Å; I1152-F1630 HydrophobicContact CD1-CG 4.1Å; I1152-F1630 HydrophobicContact CD1-CZ 4.39Å; I1626-F1630 VanDerWaalsContact O-CB 3.28Å; I1626-F1630 WeakPolarHBondContact O-CB 3.22Å; I1626-F1630 PolarHBondContact O-N 3.19Å; V1627-F1630 PolarHBondContact O-N 3.41Å; I1628-F1630 VanDerWaalsContact C-N 3.33Å; I1628-F1630 PolarHBondContact O-N 3.34Å; F1630-C1632 VanDerWaalsContact C-N 3.28Å; F1630-C1632 PolarHBondContact O-N 3.4Å; F1630-Q1633 PolarHBondContact O-N 3.25Å; F1630-Q1633 VanDerWaalsContact O-N 3.12Å; F1630-F1634 HydrophobicContact CE1-CE2 4.19Å; F1630-F1634 HydrophobicContact CE1-CZ 4.12Å; F1630-F1667 HydrophobicContact CB-CE2 4.19Å; F1630-F1667 HydrophobicContact CB-CZ 4.36Å; F1630-F1667 HydrophobicContact CD2-CZ 4Å
1631V86Confident85.2Confident59 Ų5937.5 Ų37.536%0.35821%0.208SC..Hα-helixtrans-63.5-34.8177.8172.70000111.7V1627 I1628 Q1633 F1634 M1637V1627-V1631 HydrophobicContact CG1-CG2 4.45Å; V1627-V1631 VanDerWaalsContact O-CG2 3.32Å; V1627-V1631 WeakPolarHBondContact O-CG2 3.33Å; V1627-V1631 PolarHBondContact O-N 3.23Å; I1628-V1631 PolarHBondContact O-N 3.22Å; V1631-Q1633 VanDerWaalsContact C-N 3.3Å; V1631-Q1633 PolarHBondContact O-N 3.14Å; V1631-F1634 VanDerWaalsContact O-CD2 3.32Å; V1631-F1634 WeakPolarHBondContact O-CD2 3.41Å; V1631-M1637 HydrophobicContact CG1-CE 4.27Å
1632C86.8Confident84.4Confident20 Ų2039.8 Ų39.814%0.13522%0.224CC..Hα-helixtrans-78.2-7.6177-66.90000114.4I1628 K1629 F1630 Y1639 N1640 V1661I1628-C1632 WeakPolarHBondContact O-CB 3.23Å; I1628-C1632 PolarHBondContact O-N 3.41Å; I1628-C1632 PolarHBondContact O-SG 2.7Å; K1629-C1632 PolarHBondContact O-N 3.32Å; F1630-C1632 VanDerWaalsContact C-N 3.28Å; F1630-C1632 PolarHBondContact O-N 3.4Å; C1632-Y1639 VanDerWaalsContact CB-OH 3.25Å; C1632-Y1639 WeakPolarHBondContact CB-OH 3.19Å; C1632-Y1639 PolarHBondContact SG-OH 3.07Å; C1632-N1640 PolarHBondContact O-ND2 3.46Å; C1632-V1661 HydrophobicContact CB-CG1 3.16Å; C1632-V1661 VanDerWaalsContact SG-CG1 3.53Å
1633Q84.8Confident83.9Confident9 Ų944.9 Ų44.94%0.04226%0.255CS..THydrogen-bonded Turntrans-79.9-16.3173.8-67.4-56.2-62.500113.3T1144 K1629 F1630 V1631 A1635 S1662 Q1663 F1667T1144-Q1633 HydrophobicContact CG2-CB 3.66Å; T1144-Q1633 HydrophobicContact CG2-CG 4.35Å; K1629-Q1633 WeakPolarHBondContact O-CG 3.48Å; K1629-Q1633 PolarHBondContact O-N 3.5Å; K1629-Q1633 VanDerWaalsContact O-N 3.16Å; F1630-Q1633 PolarHBondContact O-N 3.25Å; F1630-Q1633 VanDerWaalsContact O-N 3.12Å; V1631-Q1633 VanDerWaalsContact C-N 3.3Å; V1631-Q1633 PolarHBondContact O-N 3.14Å; Q1633-A1635 PolarHBondContact O-N 2.95Å; Q1633-S1662 PolarHBondContact NE2-O 3.09Å; Q1633-Q1663 VanDerWaalsContact OE1-CA 3.24Å; Q1633-F1667 HydrophobicContact CG-CB 4.33Å; Q1633-F1667 HydrophobicContact CG-CD1 3.61Å; Q1633-F1667 HydrophobicContact CG-CD2 3.94Å; Q1633-F1667 HydrophobicContact CG-CE1 3.82Å; Q1633-F1667 HydrophobicContact CG-CE2 4.11Å; Q1633-F1667 HydrophobicContact CG-CG 3.68Å; Q1633-F1667 HydrophobicContact CG-CZ 4.07Å
1634F83.3Confident83.6Confident13 Ų1347.3 Ų47.36%0.05726%0.263CS..SBendtrans-58.9136.6-179.2-77.9-69.9000111.8T1144 L1226 F1630 V1631 F1636 M1637 N1640T1144-F1634 WeakPolarHBondContact O-CD1 3.36Å; T1144-F1634 WeakPolarHBondContact O-CE1 3.26Å; L1226-F1634 HydrophobicContact CD1-CE1 4.35Å; L1226-F1634 HydrophobicContact CD1-CZ 4.41Å; F1630-F1634 HydrophobicContact CE1-CE2 4.19Å; F1630-F1634 HydrophobicContact CE1-CZ 4.12Å; V1631-F1634 VanDerWaalsContact O-CD2 3.32Å; V1631-F1634 WeakPolarHBondContact O-CD2 3.41Å; F1634-F1636 HydrophobicContact CB-CD1 3.63Å; F1634-F1636 HydrophobicContact CB-CE1 3.26Å; F1634-F1636 HydrophobicContact CB-CE2 4.49Å; F1634-F1636 HydrophobicContact CB-CG 4.38Å; F1634-F1636 HydrophobicContact CB-CZ 3.75Å; F1634-F1636 AromaticContact CD1-CE1 3.95Å; F1634-F1636 HydrophobicContact CD1-CE1 3.95Å; F1634-F1636 AromaticContact CD2-CE1 3.91Å; F1634-F1636 HydrophobicContact CD2-CE1 3.91Å; F1634-F1636 HydrophobicContact CD2-CZ 4.07Å; F1634-F1636 HydrophobicContact CG-CD1 4.2Å; F1634-F1636 AromaticContact CG-CE1 3.46Å; F1634-F1636 HydrophobicContact CG-CE1 3.46Å; F1634-F1636 VanDerWaalsContact CG-CE1 3.46Å; F1634-F1636 HydrophobicContact CG-CZ 4.03Å; F1634-F1636 PolarHBondContact O-N 3.37Å; F1634-M1637 PolarHBondContact O-N 3.21Å; F1634-N1640 PolarHBondContact O-ND2 2.91Å
1635A75.8Confident83Confident38 Ų3849.9 Ų49.931%0.31426%0.263SS..THydrogen-bonded Turntrans-67-18.1-175.300000114.5Q1225 Q1633 M1637Q1225-A1635 HydrophobicContact CG-CB 4.48Å; Q1633-A1635 PolarHBondContact O-N 2.95Å; A1635-M1637 PolarHBondContact O-N 3.4Å
1636F78.8Confident82.6Confident82 Ų8254.4 Ų54.436%0.3629%0.291SS..THydrogen-bonded Turntrans-72.4-11.7176.763.1-102.7000113.6I1222 Q1225 F1634I1222-F1636 HydrophobicContact CG1-CB 4.31Å; Q1225-F1636 VanDerWaalsContact OE1-CB 3.3Å; F1634-F1636 HydrophobicContact CB-CD1 3.63Å; F1634-F1636 HydrophobicContact CB-CE1 3.26Å; F1634-F1636 HydrophobicContact CB-CE2 4.49Å; F1634-F1636 HydrophobicContact CB-CG 4.38Å; F1634-F1636 HydrophobicContact CB-CZ 3.75Å; F1634-F1636 AromaticContact CD1-CE1 3.95Å; F1634-F1636 HydrophobicContact CD1-CE1 3.95Å; F1634-F1636 AromaticContact CD2-CE1 3.91Å; F1634-F1636 HydrophobicContact CD2-CE1 3.91Å; F1634-F1636 HydrophobicContact CD2-CZ 4.07Å; F1634-F1636 HydrophobicContact CG-CD1 4.2Å; F1634-F1636 AromaticContact CG-CE1 3.46Å; F1634-F1636 HydrophobicContact CG-CE1 3.46Å; F1634-F1636 VanDerWaalsContact CG-CE1 3.46Å; F1634-F1636 HydrophobicContact CG-CZ 4.03Å; F1634-F1636 PolarHBondContact O-N 3.37Å
1637M82.2Confident82.3Confident42 Ų4261.2 Ų61.221%0.20732%0.323CS..SBendtrans-68.4130.3175.2-68-66.6-177.500110.1V1631 F1634 A1635 Y1639 N1640V1631-M1637 HydrophobicContact CG1-CE 4.27Å; F1634-M1637 PolarHBondContact O-N 3.21Å; A1635-M1637 PolarHBondContact O-N 3.4Å; M1637-Y1639 VanDerWaalsContact C-N 3.26Å; M1637-Y1639 HydrophobicContact CB-CD1 4.36Å; M1637-Y1639 HydrophobicContact CB-CE1 3.85Å; M1637-Y1639 HydrophobicContact CB-CE2 4.05Å; M1637-Y1639 HydrophobicContact CG-CE1 4.31Å; M1637-Y1639 PolarHBondContact O-N 2.88Å; M1637-Y1639 VanDerWaalsContact O-N 3.14Å; M1637-Y1639 HydrophobicContact SD-CE1 4.37Å; M1637-N1640 HydrophobicContact CB-CB 4.41Å; M1637-N1640 WeakPolarHBondContact O-CB 3.39Å; M1637-N1640 PolarHBondContact O-N 3.43Å
1638P80.1Confident82Confident98 Ų9860.4 Ų60.464%0.63632%0.315SS*.G310 helixtrans-61.2-31.6-170.320.3-31.1000113.8N1640 S1641P1638-N1640 VanDerWaalsContact C-N 3.3Å; P1638-N1640 PolarHBondContact O-N 3.32Å; P1638-S1641 VanDerWaalsContact O-CB 3.31Å; P1638-S1641 WeakPolarHBondContact O-CB 3.46Å; P1638-S1641 PolarHBondContact O-N 2.91Å; P1638-S1641 PolarHBondContact O-OG 3.11Å
1639Y82.3Confident81.4Confident53 Ų5362.7 Ų62.721%0.20832%0.324CS..G310 helixtrans-76.3-13.2176.855.8-98.2000114.1C1632 M1637 S1641 W1644 D1656C1632-Y1639 VanDerWaalsContact CB-OH 3.25Å; C1632-Y1639 WeakPolarHBondContact CB-OH 3.19Å; C1632-Y1639 PolarHBondContact SG-OH 3.07Å; M1637-Y1639 VanDerWaalsContact C-N 3.26Å; M1637-Y1639 HydrophobicContact CB-CD1 4.36Å; M1637-Y1639 HydrophobicContact CB-CE1 3.85Å; M1637-Y1639 HydrophobicContact CB-CE2 4.05Å; M1637-Y1639 HydrophobicContact CG-CE1 4.31Å; M1637-Y1639 PolarHBondContact O-N 2.88Å; M1637-Y1639 VanDerWaalsContact O-N 3.14Å; M1637-Y1639 HydrophobicContact SD-CE1 4.37Å; Y1639-S1641 VanDerWaalsContact C-N 3.34Å; Y1639-W1644 VanDerWaalsContact CA-CD1 3.49Å; Y1639-D1656 HydrophobicContact CD2-CB 4.4Å
1640N80.1Confident80.6Confident9 Ų970.2 Ų70.25%0.04836%0.361CS..G310 helixtrans-87.6-7.4172.9-69.6-18.6000112.5C1632 F1634 M1637 P1638C1632-N1640 PolarHBondContact O-ND2 3.46Å; F1634-N1640 PolarHBondContact O-ND2 2.91Å; M1637-N1640 HydrophobicContact CB-CB 4.41Å; M1637-N1640 WeakPolarHBondContact O-CB 3.39Å; M1637-N1640 PolarHBondContact O-N 3.43Å; P1638-N1640 VanDerWaalsContact C-N 3.3Å; P1638-N1640 PolarHBondContact O-N 3.32Å
1641S78.6Confident80.2Confident40 Ų4073.2 Ų73.228%0.2838%0.377SS..SBendtrans-57.7143172.2670000110.7P1638 Y1639 T1643 W1644 R1645P1638-S1641 VanDerWaalsContact O-CB 3.31Å; P1638-S1641 WeakPolarHBondContact O-CB 3.46Å; P1638-S1641 PolarHBondContact O-N 2.91Å; P1638-S1641 PolarHBondContact O-OG 3.11Å; Y1639-S1641 VanDerWaalsContact C-N 3.34Å; S1641-T1643 PolarHBondContact O-N 3.5Å; S1641-T1643 PolarHBondContact OG-OG1 2.81Å; S1641-T1643 VanDerWaalsContact OG-OG1 3.08Å; S1641-W1644 PolarHBondContact O-N 2.95Å; S1641-W1644 WeakPolarHBondContact OG-CB 3.29Å; S1641-W1644 PolarHBondContact OG-N 3.09Å; S1641-R1645 PolarHBondContact O-N 3.42Å
1642I77Confident79.5Confident119 Ų11971.2 Ų71.261%0.6137%0.365SS*.Hα-helixtrans-56.6-38.9179.3-61.4171.7000109.9R1645 T1646I1642-R1645 PolarHBondContact O-N 3.11Å; I1642-T1646 PolarHBondContact O-N 3.28Å; I1642-T1646 VanDerWaalsContact O-N 3.16Å; I1642-T1646 PolarHBondContact O-OG1 3.42Å; I1642-T1646 VanDerWaalsContact O-OG1 3.07Å
1643T80.4Confident79Confident107 Ų10773.9 Ų73.966%0.65638%0.377SS*.Hα-helixtrans-59.4-47.5177.846.30000113.1S1641 T1646 E1647S1641-T1643 PolarHBondContact O-N 3.5Å; S1641-T1643 PolarHBondContact OG-OG1 2.81Å; S1641-T1643 VanDerWaalsContact OG-OG1 3.08Å; T1643-T1646 PolarHBondContact O-N 3.18Å; T1643-E1647 PolarHBondContact O-N 3.43Å
1644W84.5Confident78.9Confident82 Ų8273.7 Ų73.731%0.31138%0.376SS..Hα-helixtrans-64.1-43.7180179.3-87.4000111.9Y1639 S1641 T1646 E1647 H1648 D1656Y1639-W1644 VanDerWaalsContact CA-CD1 3.49Å; S1641-W1644 PolarHBondContact O-N 2.95Å; S1641-W1644 WeakPolarHBondContact OG-CB 3.29Å; S1641-W1644 PolarHBondContact OG-N 3.09Å; W1644-T1646 VanDerWaalsContact C-N 3.34Å; W1644-T1646 PolarHBondContact O-N 2.89Å; W1644-E1647 PolarHBondContact O-N 2.99Å; W1644-H1648 AromaticContact CD2-ND1 3.81Å; W1644-H1648 AromaticContact CE2-ND1 3.83Å; W1644-H1648 AromaticContact CE3-CE1 3.91Å; W1644-H1648 AromaticContact CH2-CE1 3.92Å; W1644-H1648 AromaticContact CZ3-CE1 3.85Å; W1644-H1648 PolarHBondContact O-N 3.25Å; W1644-H1648 VanDerWaalsContact O-N 3.12Å; W1644-H1648 PolarHBondContact O-ND1 3.35Å; W1644-D1656 PolarHBondContact NE1-OD1 3.09Å
1645R77.9Confident78.8Confident119 Ų11978.5 Ų78.545%0.44940%0.402SS..Hα-helixtrans-62.2-40.8-178.2-166.9-173.7-58.1-178.16.4112S1641 I1642 Q1649 Q1663S1641-R1645 PolarHBondContact O-N 3.42Å; I1642-R1645 PolarHBondContact O-N 3.11Å; R1645-Q1649 WeakPolarHBondContact O-CB 3.35Å; R1645-Q1649 PolarHBondContact O-N 3.44Å; R1645-Q1663 VanDerWaalsContact NH2-CD 3.28Å
1646T79.8Confident79Confident96 Ų9677.7 Ų77.759%0.58939%0.392SS*.Hα-helixtrans-68.8-43179.3-56.20000111.8I1642 T1643 W1644 H1648I1642-T1646 PolarHBondContact O-N 3.28Å; I1642-T1646 VanDerWaalsContact O-N 3.16Å; I1642-T1646 PolarHBondContact O-OG1 3.42Å; I1642-T1646 VanDerWaalsContact O-OG1 3.07Å; T1643-T1646 PolarHBondContact O-N 3.18Å; W1644-T1646 VanDerWaalsContact C-N 3.34Å; W1644-T1646 PolarHBondContact O-N 2.89Å; T1646-H1648 PolarHBondContact O-N 2.83Å
1647E82.1Confident79Confident150 Ų15076.5 Ų76.570%0.70139%0.387SS*.Hα-helixtrans-64.4-40.9179.8-173.1177.1-168.800112.3T1643 W1644T1643-E1647 PolarHBondContact O-N 3.43Å; W1644-E1647 PolarHBondContact O-N 2.99Å
1648H81.2Confident78.9Confident42 Ų4276.6 Ų76.619%0.19439%0.388CS..THydrogen-bonded Turntrans-99.814.3-173.4-63.781.3000114W1644 T1646 M1650 D1651 K1657W1644-H1648 AromaticContact CD2-ND1 3.81Å; W1644-H1648 AromaticContact CE2-ND1 3.83Å; W1644-H1648 AromaticContact CE3-CE1 3.91Å; W1644-H1648 AromaticContact CH2-CE1 3.92Å; W1644-H1648 AromaticContact CZ3-CE1 3.85Å; W1644-H1648 PolarHBondContact O-N 3.25Å; W1644-H1648 VanDerWaalsContact O-N 3.12Å; W1644-H1648 PolarHBondContact O-ND1 3.35Å; T1646-H1648 PolarHBondContact O-N 2.83Å; H1648-M1650 PolarHBondContact O-N 2.88Å; H1648-D1651 PolarHBondContact O-N 3.49Å; H1648-K1657 PolarHBondContact O-NZ 3.14Å
1649Q74.9Confident79.1Confident130 Ų13076.6 Ų76.661%0.60738%0.378SS*.SBendtrans-62.9-40.3-174.6-173.4174.3-15.700113.4R1645 K1657R1645-Q1649 WeakPolarHBondContact O-CB 3.35Å; R1645-Q1649 PolarHBondContact O-N 3.44Å; Q1649-K1657 VanDerWaalsContact C-NZ 3.28Å; Q1649-K1657 PolarHBondContact O-NZ 2.63Å
1650M70.3Confident78.9Confident166 Ų16674.8 Ų74.882%0.81838%0.376SS*.SBendtrans-87-13.2-178.1-67.7-63.9-173.900113.8H1648 P1652H1648-M1650 PolarHBondContact O-N 2.88Å; M1650-P1652 WeakPolarHBondContact O-CD 3.29Å
1651D77.5Confident78.9Confident63 Ų6375 Ų7534%0.33738%0.378SS..  trans-86110.6-179.6-169.30.8000110.6H1648 M1653 S1654 K1657H1648-D1651 PolarHBondContact O-N 3.49Å; D1651-M1653 PolarHBondContact O-N 3.37Å; D1651-M1653 PolarHBondContact OD1-N 3.37Å; D1651-S1654 PolarHBondContact O-OG 2.95Å; D1651-K1657 PolarHBondContact O-NZ 3.22Å; D1651-K1657 VanDerWaalsContact O-NZ 3.1Å
1652P71Confident78.8Confident17 Ų1774.1 Ų74.111%0.1137%0.371CS..THydrogen-bonded Turntrans-71-15.7176.330.9-35.1000112.8M1650 P1878M1650-P1652 WeakPolarHBondContact O-CD 3.29Å; P1652-P1878 HydrophobicContact CB-CB 4.19Å
1653M77.3Confident78.8Confident76 Ų7670.5 Ų70.537%0.37435%0.352SS..THydrogen-bonded Turntrans-99.611-176.3-65.4-63.6-122.400113.9D1651D1651-M1653 PolarHBondContact O-N 3.37Å; D1651-M1653 PolarHBondContact OD1-N 3.37Å
1654S81.1Confident78.6Confident5 Ų570 Ų704%0.03534%0.338CS..  trans-60.3140.4171.844.50000111.5D1651 D1656 K1657 L1658D1651-S1654 PolarHBondContact O-OG 2.95Å; S1654-D1656 VanDerWaalsContact C-N 3.28Å; S1654-D1656 WeakPolarHBondContact CB-OD1 3.31Å; S1654-D1656 PolarHBondContact O-N 2.86Å; S1654-K1657 PolarHBondContact O-N 2.9Å; S1654-K1657 VanDerWaalsContact OG-CD 3.29Å; S1654-K1657 WeakPolarHBondContact OG-CD 3.47Å; S1654-K1657 WeakPolarHBondContact OG-CG 3.46Å; S1654-L1658 WeakPolarHBondContact O-CB 3.33Å; S1654-L1658 PolarHBondContact O-N 2.98Å
1655L82.1Confident78.1Confident114 Ų11472.7 Ų72.760%0.59736%0.358SS*.Hα-helixtrans-57.2-38.9-171-71.9175.3000112.9F1659L1655-F1659 HydrophobicContact CD2-CE2 4.34Å; L1655-F1659 VanDerWaalsContact O-CD2 3.28Å; L1655-F1659 WeakPolarHBondContact O-CD2 3.12Å; L1655-F1659 PolarHBondContact O-N 2.85Å
1656D80.4Confident78Confident21 Ų2171.2 Ų71.211%0.11237%0.366CS..Hα-helixtrans-65.8-38.4178.359.9-63000112.5Y1639 W1644 S1654 G1660 V1661 S1662Y1639-D1656 HydrophobicContact CD2-CB 4.4Å; W1644-D1656 PolarHBondContact NE1-OD1 3.09Å; S1654-D1656 VanDerWaalsContact C-N 3.28Å; S1654-D1656 WeakPolarHBondContact CB-OD1 3.31Å; S1654-D1656 PolarHBondContact O-N 2.86Å; D1656-G1660 PolarHBondContact O-N 3.45Å; D1656-G1660 VanDerWaalsContact O-N 3.12Å; D1656-V1661 PolarHBondContact O-N 2.97Å; D1656-S1662 PolarHBondContact O-N 2.7Å
1657K77.7Confident77.9Confident57 Ų5767.8 Ų67.825%0.24834%0.343CS..Hα-helixtrans-76.2-39.5176.3-65.6-175.9-168.9155.70112.3H1648 Q1649 D1651 S1654 G1660H1648-K1657 PolarHBondContact O-NZ 3.14Å; Q1649-K1657 VanDerWaalsContact C-NZ 3.28Å; Q1649-K1657 PolarHBondContact O-NZ 2.63Å; D1651-K1657 PolarHBondContact O-NZ 3.22Å; D1651-K1657 VanDerWaalsContact O-NZ 3.1Å; S1654-K1657 PolarHBondContact O-N 2.9Å; S1654-K1657 VanDerWaalsContact OG-CD 3.29Å; S1654-K1657 WeakPolarHBondContact OG-CD 3.47Å; S1654-K1657 WeakPolarHBondContact OG-CG 3.46Å; K1657-G1660 PolarHBondContact O-N 3.14Å
1658L80.8Confident77.7Confident44 Ų4460.7 Ų60.723%0.2331%0.31CS..Hα-helixtrans-63.7-43.8178.7-177.767.7000111.8L1590 S1654 G1660 L1875L1590-L1658 HydrophobicContact CD1-CD1 3.94Å; L1590-L1658 HydrophobicContact CD1-CD2 3.97Å; L1590-L1658 HydrophobicContact CD1-CG 3.59Å; L1590-L1658 HydrophobicContact CG-CD1 4.33Å; L1590-L1658 HydrophobicContact CG-CG 4.3Å; L1590-L1658 PolarHBondContact N-O 2.96Å; S1654-L1658 WeakPolarHBondContact O-CB 3.33Å; S1654-L1658 PolarHBondContact O-N 2.98Å; L1658-G1660 VanDerWaalsContact C-N 3.32Å; L1658-L1875 HydrophobicContact CD1-CD2 4.19Å
1659F84.4Confident77.8Confident98 Ų9862.9 Ų62.943%0.4332%0.323SS..Hα-helixtrans-75.8-20.3174-77.3-68000113.1L1590 I1591 L1655 V1661L1590-F1659 HydrophobicContact CB-CD1 4.23Å; I1591-F1659 HydrophobicContact CD1-CB 4.15Å; I1591-F1659 HydrophobicContact CD1-CD1 4.41Å; I1591-F1659 HydrophobicContact CG1-CB 4.28Å; I1591-F1659 HydrophobicContact CG1-CD1 4.02Å; I1591-F1659 WeakPolarHBondContact CG1-O 3.49Å; I1591-F1659 PolarHBondContact N-O 2.75Å; L1655-F1659 HydrophobicContact CD2-CE2 4.34Å; L1655-F1659 VanDerWaalsContact O-CD2 3.28Å; L1655-F1659 WeakPolarHBondContact O-CD2 3.12Å; L1655-F1659 PolarHBondContact O-N 2.85Å; F1659-V1661 HydrophobicContact CB-CG2 3.83Å
1660G77.8Confident78.4Confident15 Ų1560.8 Ų60.816%0.15531%0.309CS..THydrogen-bonded Turntrans79.432.4-177.800000113.5D1656 K1657 L1658D1656-G1660 PolarHBondContact O-N 3.45Å; D1656-G1660 VanDerWaalsContact O-N 3.12Å; K1657-G1660 PolarHBondContact O-N 3.14Å; L1658-G1660 VanDerWaalsContact C-N 3.32Å
1661V80.7Confident79.2Confident14 Ų1452.9 Ų52.99%0.08527%0.271CS..  trans-110.11.6-171.3-176.40000112.4I1591 C1632 D1656 F1659I1591-V1661 HydrophobicContact CD1-CG2 3.39Å; C1632-V1661 HydrophobicContact CB-CG1 3.16Å; C1632-V1661 VanDerWaalsContact SG-CG1 3.53Å; D1656-V1661 PolarHBondContact O-N 2.97Å; F1659-V1661 HydrophobicContact CB-CG2 3.83Å
1662S76Confident79.7Confident21 Ų2150.8 Ų50.815%0.14726%0.259CS..  trans-53.6144.8176.357.70000113.9Q1633 D1656 R1664Q1633-S1662 PolarHBondContact NE2-O 3.09Å; D1656-S1662 PolarHBondContact O-N 2.7Å; S1662-R1664 PolarHBondContact O-N 3.5Å
1663Q77Confident80.5Confident44 Ų4452.2 Ų52.221%0.20627%0.268CS..  trans-62.3125.1176.4-170.7-179.7-6.200111E1252 Q1633 R1645E1252-Q1663 PolarHBondContact OE1-NE2 2.98Å; Q1633-Q1663 VanDerWaalsContact OE1-CA 3.24Å; R1645-Q1663 VanDerWaalsContact NH2-CD 3.28Å
1664R76.2Confident81.2Confident97 Ų9748.6 Ų48.637%0.36625%0.25SC..  trans-146.9140.7179.2-67.4-172.4-178.3-1780110.8M1586 S1662 S1666 F1667M1586-R1664 PolarHBondContact O-NH1 3.3Å; S1662-R1664 PolarHBondContact O-N 3.5Å; R1664-S1666 PolarHBondContact O-N 2.82Å; R1664-F1667 HydrophobicContact CB-CB 4.37Å; R1664-F1667 WeakPolarHBondContact O-CB 3.39Å; R1664-F1667 PolarHBondContact O-N 3.02Å
1665D73.4Confident81.6Confident137 Ų13748.4 Ų48.473%0.73325%0.248SC*.THydrogen-bonded Turntrans-55.8-28.6178.9-60.713.6000114.3
1666S75.8Confident81.9Confident88 Ų8845.4 Ų45.462%0.61523%0.231SC*.THydrogen-bonded Turntrans-125.747.2-179.5-62.20000112R1664 A1668R1664-S1666 PolarHBondContact O-N 2.82Å; S1666-A1668 VanDerWaalsContact C-N 3.3Å; S1666-A1668 PolarHBondContact O-N 3.33Å
1667F78.3Confident82.3Confident24 Ų2445 Ų4511%0.10523%0.23CC..THydrogen-bonded Turntrans-59.4-30.2-171.567.7-87.1000115.5K1629 F1630 Q1633 R1664K1629-F1667 HydrophobicContact CB-CD2 3.84Å; K1629-F1667 HydrophobicContact CB-CE2 4.21Å; F1630-F1667 HydrophobicContact CB-CE2 4.19Å; F1630-F1667 HydrophobicContact CB-CZ 4.36Å; F1630-F1667 HydrophobicContact CD2-CZ 4Å; Q1633-F1667 HydrophobicContact CG-CB 4.33Å; Q1633-F1667 HydrophobicContact CG-CD1 3.61Å; Q1633-F1667 HydrophobicContact CG-CD2 3.94Å; Q1633-F1667 HydrophobicContact CG-CE1 3.82Å; Q1633-F1667 HydrophobicContact CG-CE2 4.11Å; Q1633-F1667 HydrophobicContact CG-CG 3.68Å; Q1633-F1667 HydrophobicContact CG-CZ 4.07Å; R1664-F1667 HydrophobicContact CB-CB 4.37Å; R1664-F1667 WeakPolarHBondContact O-CB 3.39Å; R1664-F1667 PolarHBondContact O-N 3.02Å
1668A78.4Confident82.9Confident1 Ų142.4 Ų42.41%0.00822%0.218CC..THydrogen-bonded Turntrans-116.21.2-172.100000115.7S1666 W1670 D1671 I1672S1666-A1668 VanDerWaalsContact C-N 3.3Å; S1666-A1668 PolarHBondContact O-N 3.33Å; A1668-W1670 PolarHBondContact O-N 3.14Å; A1668-D1671 WeakPolarHBondContact O-CB 3.36Å; A1668-D1671 PolarHBondContact O-N 3.42Å; A1668-D1671 VanDerWaalsContact O-N 3.07Å; A1668-I1672 HydrophobicContact CB-CD1 3.9Å; A1668-I1672 HydrophobicContact CB-CG1 4.39Å; A1668-I1672 VanDerWaalsContact O-CD1 3.27Å; A1668-I1672 WeakPolarHBondContact O-CD1 3.48Å; A1668-I1672 VanDerWaalsContact O-CG1 3.32Å; A1668-I1672 WeakPolarHBondContact O-CG1 3.41Å; A1668-I1672 PolarHBondContact O-N 3.12Å
1669L82.2Confident83.3Confident88 Ų8840.8 Ų40.846%0.46121%0.209SC..Hα-helixtrans-55.3-48.4-169.7-176148.9000113.1I1672 V1673L1669-I1672 PolarHBondContact O-N 3.47Å; L1669-V1673 HydrophobicContact CD2-CG2 4.27Å; L1669-V1673 WeakPolarHBondContact O-CG2 3.31Å; L1669-V1673 PolarHBondContact O-N 3.24Å
1670W87.8Confident83.5Confident86 Ų8640.1 Ų40.133%0.32621%0.206SC..Hα-helixtrans-69.2-33.2179.6-67.9104.7000112.7M1582 T1583 M1586 A1668 I1672 V1673 L1674M1582-W1670 HydrophobicContact CB-CE3 4.37Å; M1582-W1670 HydrophobicContact CB-CZ3 4.48Å; T1583-W1670 PolarHBondContact OG1-O 3.19Å; M1586-W1670 HydrophobicContact CB-CG 4.2Å; M1586-W1670 HydrophobicContact CE-CZ2 4.26Å; M1586-W1670 HydrophobicContact CG-CD2 4.22Å; M1586-W1670 HydrophobicContact CG-CG 4.24Å; M1586-W1670 HydrophobicContact CG-CZ2 4.27Å; A1668-W1670 PolarHBondContact O-N 3.14Å; W1670-I1672 VanDerWaalsContact C-N 3.32Å; W1670-I1672 PolarHBondContact O-N 3.08Å; W1670-V1673 PolarHBondContact O-N 2.97Å; W1670-L1674 WeakPolarHBondContact O-CB 3.29Å; W1670-L1674 PolarHBondContact O-N 2.91Å
1671D87.8Confident84.1Confident1 Ų139.9 Ų39.91%0.00520%0.201CC..Hα-helixtrans-65.4-36.8173.6-54-68.6000111T1583 I1626 K1629 A1668 L1674 L1675T1583-D1671 WeakPolarHBondContact CG2-OD1 3.28Å; I1626-D1671 HydrophobicContact CD1-CB 4.12Å; I1626-D1671 HydrophobicContact CG1-CB 3.69Å; K1629-D1671 VanDerWaalsContact NZ-CG 3.35Å; K1629-D1671 IonicContact NZ-OD1 2.78Å; K1629-D1671 PolarHBondContact NZ-OD1 2.95Å; K1629-D1671 IonicContact NZ-OD2 2.76Å; K1629-D1671 PolarHBondContact NZ-OD2 2.96Å; A1668-D1671 WeakPolarHBondContact O-CB 3.36Å; A1668-D1671 PolarHBondContact O-N 3.42Å; A1668-D1671 VanDerWaalsContact O-N 3.07Å; D1671-L1674 PolarHBondContact O-N 3.29Å; D1671-L1675 WeakPolarHBondContact O-CB 3.29Å; D1671-L1675 PolarHBondContact O-N 3.29Å
1672I87.6Confident84.5Confident18 Ų1839.9 Ų39.99%0.09220%0.2CC..Hα-helixtrans-71.4-40.5176.8-65149.6000111.6L1137 I1141 I1626 A1668 L1669 W1670 L1674 L1675 F1676L1137-I1672 HydrophobicContact CD2-CG2 3.94Å; I1141-I1672 HydrophobicContact CD1-CD1 3.11Å; I1141-I1672 HydrophobicContact CD1-CG1 3.98Å; I1141-I1672 HydrophobicContact CG1-CD1 3.71Å; I1141-I1672 HydrophobicContact CG2-CD1 4.1Å; I1626-I1672 HydrophobicContact CD1-CG1 4.29Å; A1668-I1672 HydrophobicContact CB-CD1 3.9Å; A1668-I1672 HydrophobicContact CB-CG1 4.39Å; A1668-I1672 VanDerWaalsContact O-CD1 3.27Å; A1668-I1672 WeakPolarHBondContact O-CD1 3.48Å; A1668-I1672 VanDerWaalsContact O-CG1 3.32Å; A1668-I1672 WeakPolarHBondContact O-CG1 3.41Å; A1668-I1672 PolarHBondContact O-N 3.12Å; L1669-I1672 PolarHBondContact O-N 3.47Å; W1670-I1672 VanDerWaalsContact C-N 3.32Å; W1670-I1672 PolarHBondContact O-N 3.08Å; I1672-L1674 VanDerWaalsContact C-N 3.3Å; I1672-L1674 PolarHBondContact O-N 2.79Å; I1672-L1675 WeakPolarHBondContact O-CB 3.06Å; I1672-L1675 PolarHBondContact O-N 3.38Å; I1672-F1676 HydrophobicContact CG2-CD2 3.66Å; I1672-F1676 HydrophobicContact CG2-CE2 3.26Å; I1672-F1676 HydrophobicContact CG2-CZ 4.1Å; I1672-F1676 VanDerWaalsContact O-CD2 3.26Å; I1672-F1676 WeakPolarHBondContact O-CD2 3.28Å; I1672-F1676 PolarHBondContact O-N 3.11Å
1673V88Confident84.9Confident48 Ų4840 Ų4029%0.29120%0.197SC..Hα-helixtrans-61.3-43.8173.5172.30000110.1F1579 L1669 W1670 F1676 S1677F1579-V1673 HydrophobicContact CD1-CG1 3.8Å; F1579-V1673 HydrophobicContact CD2-CG1 4.31Å; F1579-V1673 HydrophobicContact CE1-CG1 3.7Å; F1579-V1673 HydrophobicContact CE2-CG1 4.22Å; F1579-V1673 HydrophobicContact CG-CG1 4.13Å; F1579-V1673 HydrophobicContact CZ-CG1 3.92Å; L1669-V1673 HydrophobicContact CD2-CG2 4.27Å; L1669-V1673 WeakPolarHBondContact O-CG2 3.31Å; L1669-V1673 PolarHBondContact O-N 3.24Å; W1670-V1673 PolarHBondContact O-N 2.97Å; V1673-F1676 PolarHBondContact O-N 2.84Å; V1673-S1677 WeakPolarHBondContact O-CB 3.39Å; V1673-S1677 PolarHBondContact O-N 2.92Å
1674L91.3Very high85.3Confident0 Ų038.6 Ų38.60%019%0.191CC..Hα-helixtrans-61.3-44.6173.3179.360.2000111.2F1579 A1580 L1595 M1618 T1622 W1670 D1671 I1672 F1676 S1677 L1678F1579-L1674 HydrophobicContact CB-CB 4.35Å; F1579-L1674 HydrophobicContact CB-CD1 3.82Å; A1580-L1674 HydrophobicContact CB-CD1 4.32Å; A1580-L1674 HydrophobicContact CB-CD2 4.45Å; L1595-L1674 HydrophobicContact CD1-CD2 3.95Å; L1595-L1674 HydrophobicContact CD2-CD2 4.36Å; M1618-L1674 HydrophobicContact CE-CD1 3.98Å; T1622-L1674 HydrophobicContact CG2-CD2 3.58Å; T1622-L1674 HydrophobicContact CG2-CG 4.03Å; W1670-L1674 WeakPolarHBondContact O-CB 3.29Å; W1670-L1674 PolarHBondContact O-N 2.91Å; D1671-L1674 PolarHBondContact O-N 3.29Å; I1672-L1674 VanDerWaalsContact C-N 3.3Å; I1672-L1674 PolarHBondContact O-N 2.79Å; L1674-F1676 PolarHBondContact O-N 2.83Å; L1674-S1677 WeakPolarHBondContact O-CB 3.31Å; L1674-S1677 PolarHBondContact O-N 2.89Å; L1674-L1678 HydrophobicContact CD1-CD1 4.2Å; L1674-L1678 HydrophobicContact CD1-CG 4.2Å; L1674-L1678 HydrophobicContact CG-CD1 3.97Å; L1674-L1678 HydrophobicContact CG-CG 4.42Å; L1674-L1678 WeakPolarHBondContact O-CB 3.21Å; L1674-L1678 VanDerWaalsContact O-CG 3.26Å; L1674-L1678 WeakPolarHBondContact O-CG 3.44Å; L1674-L1678 PolarHBondContact O-N 2.94Å
1675L90.8Very high85.6Confident1 Ų135 Ų351%0.00518%0.179CC..Hα-helixtrans-57.2-49.1177.1-172.171.1000111L1156 L1159 E1623 I1626 D1671 I1672 S1677 L1678 F1679L1156-L1675 HydrophobicContact CD2-CD2 3.81Å; L1159-L1675 HydrophobicContact CD2-CD2 4.36Å; E1623-L1675 HydrophobicContact CG-CD1 3.72Å; I1626-L1675 HydrophobicContact CD1-CB 4.27Å; I1626-L1675 HydrophobicContact CD1-CD2 3.9Å; I1626-L1675 HydrophobicContact CD1-CG 4.49Å; D1671-L1675 WeakPolarHBondContact O-CB 3.29Å; D1671-L1675 PolarHBondContact O-N 3.29Å; I1672-L1675 WeakPolarHBondContact O-CB 3.06Å; I1672-L1675 PolarHBondContact O-N 3.38Å; L1675-S1677 PolarHBondContact O-N 3.05Å; L1675-L1678 PolarHBondContact O-N 3.48Å; L1675-F1679 HydrophobicContact CD1-CD2 4.01Å; L1675-F1679 HydrophobicContact CD1-CE2 3.65Å; L1675-F1679 HydrophobicContact CD2-CE2 4.5Å; L1675-F1679 HydrophobicContact CG-CD2 3.89Å; L1675-F1679 HydrophobicContact CG-CE2 3.89Å; L1675-F1679 VanDerWaalsContact O-CD2 3.29Å; L1675-F1679 WeakPolarHBondContact O-CD2 3.37Å; L1675-F1679 PolarHBondContact O-N 2.68Å
1676F87.8Confident85.9Confident51 Ų5132.3 Ų32.322%0.22416%0.158CC..Hα-helixtrans-67.2-36.2177.4-69.6-46.4000113.3M1134 L1137 L1159 I1672 V1673 L1674 L1678 F1679 F1680M1134-F1676 HydrophobicContact CE-CD1 3.61Å; M1134-F1676 HydrophobicContact CE-CE1 2.94Å; M1134-F1676 HydrophobicContact CE-CE2 4.2Å; M1134-F1676 HydrophobicContact CE-CZ 3.27Å; M1134-F1676 HydrophobicContact CG-CZ 4.45Å; M1134-F1676 HydrophobicContact SD-CD1 3.46Å; M1134-F1676 WeakPolarHBondContact SD-CD1 3.49Å; M1134-F1676 HydrophobicContact SD-CD2 3.75Å; M1134-F1676 HydrophobicContact SD-CE1 3.14Å; M1134-F1676 WeakPolarHBondContact SD-CE1 3.42Å; M1134-F1676 HydrophobicContact SD-CE2 3.33Å; M1134-F1676 WeakPolarHBondContact SD-CE2 3.28Å; M1134-F1676 HydrophobicContact SD-CG 3.8Å; M1134-F1676 HydrophobicContact SD-CZ 3.02Å; M1134-F1676 WeakPolarHBondContact SD-CZ 3.26Å; L1137-F1676 HydrophobicContact CD2-CE1 4.28Å; L1137-F1676 HydrophobicContact CD2-CE2 3.95Å; L1137-F1676 HydrophobicContact CD2-CZ 3.37Å; L1159-F1676 HydrophobicContact CD1-CE1 4.27Å; L1159-F1676 HydrophobicContact CD2-CD1 4.49Å; L1159-F1676 HydrophobicContact CD2-CE1 4.03Å; I1672-F1676 HydrophobicContact CG2-CD2 3.66Å; I1672-F1676 HydrophobicContact CG2-CE2 3.26Å; I1672-F1676 HydrophobicContact CG2-CZ 4.1Å; I1672-F1676 VanDerWaalsContact O-CD2 3.26Å; I1672-F1676 WeakPolarHBondContact O-CD2 3.28Å; I1672-F1676 PolarHBondContact O-N 3.11Å; V1673-F1676 PolarHBondContact O-N 2.84Å; L1674-F1676 PolarHBondContact O-N 2.83Å; F1676-L1678 VanDerWaalsContact C-N 3.32Å; F1676-F1679 PolarHBondContact O-N 3.33Å; F1676-F1680 WeakPolarHBondContact O-CB 3.29Å; F1676-F1680 PolarHBondContact O-N 3.38Å
1677S89.2Confident86.1Confident13 Ų1331.4 Ų31.49%0.09114%0.143CC..Hα-helixtrans-61.6-42.7172.5-170.90000111.2C1576 V1673 L1674 L1675 F1680 H1681C1576-S1677 PolarHBondContact SG-OG 2.89Å; C1576-S1677 VanDerWaalsContact SG-OG 3.42Å; V1673-S1677 WeakPolarHBondContact O-CB 3.39Å; V1673-S1677 PolarHBondContact O-N 2.92Å; L1674-S1677 WeakPolarHBondContact O-CB 3.31Å; L1674-S1677 PolarHBondContact O-N 2.89Å; L1675-S1677 PolarHBondContact O-N 3.05Å; S1677-F1680 PolarHBondContact O-N 3.14Å; S1677-H1681 WeakPolarHBondContact O-CB 3.38Å; S1677-H1681 PolarHBondContact O-N 2.82Å
1678L91Very high86Confident1 Ų131.3 Ų31.31%0.00514%0.144CC..Hα-helixtrans-66.3-41.4176.2-71.5168.3000112.6C1576 W1615 M1618 I1619 T1622 L1674 L1675 F1676 H1681 R1682C1576-L1678 HydrophobicContact CB-CD2 4.22Å; W1615-L1678 HydrophobicContact CE3-CD2 3.73Å; W1615-L1678 HydrophobicContact CZ3-CD2 3.78Å; M1618-L1678 HydrophobicContact CB-CD2 4.35Å; M1618-L1678 HydrophobicContact CE-CD1 4.46Å; M1618-L1678 HydrophobicContact CE-CD2 3.86Å; M1618-L1678 HydrophobicContact CG-CD1 3.95Å; M1618-L1678 HydrophobicContact CG-CD2 3.87Å; M1618-L1678 HydrophobicContact SD-CD2 3.74Å; I1619-L1678 HydrophobicContact CD1-CB 4.39Å; I1619-L1678 HydrophobicContact CG1-CB 3.72Å; I1619-L1678 HydrophobicContact CG1-CD1 4.16Å; I1619-L1678 HydrophobicContact CG1-CG 4.37Å; T1622-L1678 HydrophobicContact CG2-CD1 3.9Å; L1674-L1678 HydrophobicContact CD1-CD1 4.2Å; L1674-L1678 HydrophobicContact CD1-CG 4.2Å; L1674-L1678 HydrophobicContact CG-CD1 3.97Å; L1674-L1678 HydrophobicContact CG-CG 4.42Å; L1674-L1678 WeakPolarHBondContact O-CB 3.21Å; L1674-L1678 VanDerWaalsContact O-CG 3.26Å; L1674-L1678 WeakPolarHBondContact O-CG 3.44Å; L1674-L1678 PolarHBondContact O-N 2.94Å; L1675-L1678 PolarHBondContact O-N 3.48Å; F1676-L1678 VanDerWaalsContact C-N 3.32Å; L1678-H1681 PolarHBondContact O-N 2.85Å; L1678-R1682 VanDerWaalsContact O-CB 3.3Å; L1678-R1682 WeakPolarHBondContact O-CB 3.41Å; L1678-R1682 PolarHBondContact O-N 3.31Å
1679F88.9Confident85.8Confident10 Ų1031.7 Ų31.74%0.04415%0.147CC..Hα-helixtrans-68.3-35.4174.1-87.2-76.8000112.3L1159 I1619 E1623 L1675 F1676 R1682 Y1683L1159-F1679 HydrophobicContact CB-CE1 4.49Å; L1159-F1679 HydrophobicContact CB-CZ 4.37Å; L1159-F1679 HydrophobicContact CD2-CD1 4.31Å; L1159-F1679 HydrophobicContact CD2-CD2 3.35Å; L1159-F1679 HydrophobicContact CD2-CE1 4.27Å; L1159-F1679 HydrophobicContact CD2-CE2 3.31Å; L1159-F1679 HydrophobicContact CD2-CG 3.88Å; L1159-F1679 HydrophobicContact CD2-CZ 3.79Å; L1159-F1679 HydrophobicContact CG-CD1 3.94Å; L1159-F1679 HydrophobicContact CG-CD2 3.91Å; L1159-F1679 HydrophobicContact CG-CE1 3.91Å; L1159-F1679 HydrophobicContact CG-CE2 3.89Å; L1159-F1679 HydrophobicContact CG-CG 3.94Å; L1159-F1679 HydrophobicContact CG-CZ 3.89Å; L1159-F1679 WeakPolarHBondContact O-CE1 3.23Å; I1619-F1679 HydrophobicContact CG2-CE2 4.08Å; I1619-F1679 HydrophobicContact CG2-CZ 4.09Å; E1623-F1679 WeakPolarHBondContact OE1-CZ 3.49Å; L1675-F1679 HydrophobicContact CD1-CD2 4.01Å; L1675-F1679 HydrophobicContact CD1-CE2 3.65Å; L1675-F1679 HydrophobicContact CD2-CE2 4.5Å; L1675-F1679 HydrophobicContact CG-CD2 3.89Å; L1675-F1679 HydrophobicContact CG-CE2 3.89Å; L1675-F1679 VanDerWaalsContact O-CD2 3.29Å; L1675-F1679 WeakPolarHBondContact O-CD2 3.37Å; L1675-F1679 PolarHBondContact O-N 2.68Å; F1676-F1679 PolarHBondContact O-N 3.33Å; F1679-R1682 PolarHBondContact O-N 3.16Å; F1679-Y1683 WeakPolarHBondContact O-CB 3.48Å; F1679-Y1683 PolarHBondContact O-N 3.46Å
1680F87.8Confident85.5Confident84 Ų8428.3 Ų28.337%0.36813%0.13SC..Hα-helixtrans-66.7-43.7173.1-178.7-112000111.3I1568 T1572 F1676 S1677 Y1683 M1684I1568-F1680 HydrophobicContact CG2-CE1 4.36Å; T1572-F1680 HydrophobicContact CG2-CD1 3.77Å; T1572-F1680 HydrophobicContact CG2-CE1 3.47Å; T1572-F1680 VanDerWaalsContact CG2-CE1 3.47Å; F1676-F1680 WeakPolarHBondContact O-CB 3.29Å; F1676-F1680 PolarHBondContact O-N 3.38Å; S1677-F1680 PolarHBondContact O-N 3.14Å; F1680-Y1683 HydrophobicContact CD2-CD1 4.22Å; F1680-Y1683 HydrophobicContact CE2-CD1 4.31Å; F1680-Y1683 WeakPolarHBondContact O-CB 3.4Å; F1680-Y1683 PolarHBondContact O-N 2.84Å; F1680-M1684 HydrophobicContact CD1-CG 4.48Å; F1680-M1684 HydrophobicContact CE1-CG 4.12Å; F1680-M1684 HydrophobicContact CE2-CG 4.2Å; F1680-M1684 HydrophobicContact CE2-SD 4.39Å; F1680-M1684 HydrophobicContact CZ-CG 3.96Å; F1680-M1684 HydrophobicContact CZ-SD 4.23Å; F1680-M1684 WeakPolarHBondContact O-CG 3.36Å; F1680-M1684 PolarHBondContact O-N 2.79Å
1681H89.9Confident85Confident10 Ų1025.3 Ų25.35%0.04612%0.118CC..Hα-helixtrans-61.4-45.5173.2-176.665.3000111.1T1572 W1615 S1677 L1678 Y1683 M1684 L1685T1572-H1681 WeakPolarHBondContact CB-ND1 3.22Å; T1572-H1681 PolarHBondContact OG1-ND1 3.29Å; W1615-H1681 AromaticContact CD2-CD2 3.57Å; W1615-H1681 AromaticContact CD2-NE2 3.72Å; W1615-H1681 AromaticContact CE2-CD2 3.53Å; W1615-H1681 AromaticContact CE2-NE2 3.14Å; W1615-H1681 AromaticContact CE3-CD2 3.68Å; W1615-H1681 AromaticContact CH2-CD2 3.74Å; W1615-H1681 AromaticContact CH2-NE2 3.67Å; W1615-H1681 AromaticContact CZ2-CD2 3.63Å; W1615-H1681 AromaticContact CZ2-CE1 3.93Å; W1615-H1681 AromaticContact CZ2-NE2 3.12Å; W1615-H1681 WeakPolarHBondContact CZ2-NE2 3.28Å; W1615-H1681 AromaticContact CZ3-CD2 3.76Å; W1615-H1681 AromaticContact NE1-NE2 3.53Å; S1677-H1681 WeakPolarHBondContact O-CB 3.38Å; S1677-H1681 PolarHBondContact O-N 2.82Å; L1678-H1681 PolarHBondContact O-N 2.85Å; H1681-Y1683 VanDerWaalsContact C-N 3.32Å; H1681-Y1683 PolarHBondContact O-N 3.41Å; H1681-M1684 PolarHBondContact O-N 3.33Å; H1681-L1685 VanDerWaalsContact NE2-CD1 3.25Å; H1681-L1685 WeakPolarHBondContact NE2-CD1 3.34Å; H1681-L1685 WeakPolarHBondContact O-CB 3.43Å; H1681-L1685 WeakPolarHBondContact O-CG 3.26Å; H1681-L1685 PolarHBondContact O-N 2.85Å
1682R88.7Confident84Confident14 Ų1432.8 Ų32.85%0.05315%0.151CC..Hα-helixtrans-58.6-42172.6173.2177.6165172.7-3.7111.9W1160 I1619 L1678 F1679 R1686 W1691W1160-R1682 PolarHBondContact O-NH2 3Å; I1619-R1682 HydrophobicContact CD1-CB 4.38Å; L1678-R1682 VanDerWaalsContact O-CB 3.3Å; L1678-R1682 WeakPolarHBondContact O-CB 3.41Å; L1678-R1682 PolarHBondContact O-N 3.31Å; F1679-R1682 PolarHBondContact O-N 3.16Å; R1682-R1686 WeakPolarHBondContact O-CB 3.37Å; R1682-R1686 VanDerWaalsContact O-CG 3.31Å; R1682-R1686 WeakPolarHBondContact O-CG 3.28Å; R1682-R1686 PolarHBondContact O-N 3.34Å; R1682-W1691 HydrophobicContact CB-CE3 4.4Å; R1682-W1691 HydrophobicContact CB-CH2 4.32Å; R1682-W1691 HydrophobicContact CB-CZ3 3.91Å; R1682-W1691 HydrophobicContact CG-CD2 4.46Å; R1682-W1691 HydrophobicContact CG-CE3 4.08Å; R1682-W1691 HydrophobicContact CG-CH2 3.93Å; R1682-W1691 HydrophobicContact CG-CZ2 4.3Å; R1682-W1691 HydrophobicContact CG-CZ3 3.81Å
1683Y85.6Confident82.5Confident25 Ų2537.4 Ų37.410%0.09818%0.176CC..Hα-helixtrans-61.7-47175.1166.9-112.2000111N1163 F1679 F1680 H1681 R1686 K1687N1163-Y1683 VanDerWaalsContact ND2-CE2 3.26Å; N1163-Y1683 WeakPolarHBondContact ND2-CE2 3.46Å; F1679-Y1683 WeakPolarHBondContact O-CB 3.48Å; F1679-Y1683 PolarHBondContact O-N 3.46Å; F1680-Y1683 HydrophobicContact CD2-CD1 4.22Å; F1680-Y1683 HydrophobicContact CE2-CD1 4.31Å; F1680-Y1683 WeakPolarHBondContact O-CB 3.4Å; F1680-Y1683 PolarHBondContact O-N 2.84Å; H1681-Y1683 VanDerWaalsContact C-N 3.32Å; H1681-Y1683 PolarHBondContact O-N 3.41Å; Y1683-R1686 PolarHBondContact O-N 3.47Å; Y1683-K1687 WeakPolarHBondContact O-CB 3.43Å; Y1683-K1687 PolarHBondContact O-N 3.39Å
1684M84.8Confident80.9Confident13 Ų1336 Ų366%0.06417%0.169CC..Hα-helixtrans-64.7-44.2177.6-70.2-59.9-70.400112.5H1490 T1572 F1680 H1681 R1686 K1687 L1688H1490-M1684 WeakPolarHBondContact NE2-CE 3.24Å; T1572-M1684 HydrophobicContact CG2-CG 4.15Å; F1680-M1684 HydrophobicContact CD1-CG 4.48Å; F1680-M1684 HydrophobicContact CE1-CG 4.12Å; F1680-M1684 HydrophobicContact CE2-CG 4.2Å; F1680-M1684 HydrophobicContact CE2-SD 4.39Å; F1680-M1684 HydrophobicContact CZ-CG 3.96Å; F1680-M1684 HydrophobicContact CZ-SD 4.23Å; F1680-M1684 WeakPolarHBondContact O-CG 3.36Å; F1680-M1684 PolarHBondContact O-N 2.79Å; H1681-M1684 PolarHBondContact O-N 3.33Å; M1684-R1686 VanDerWaalsContact C-N 3.29Å; M1684-R1686 PolarHBondContact O-N 3.16Å; M1684-K1687 PolarHBondContact O-N 3Å; M1684-K1687 HydrophobicContact SD-CD 4.45Å; M1684-L1688 WeakPolarHBondContact O-CB 3.12Å; M1684-L1688 WeakPolarHBondContact O-CG 3.25Å; M1684-L1688 PolarHBondContact O-N 3.44Å
1685L82.6Confident79Confident22 Ų2242.8 Ų42.812%0.11521%0.206CC..Hα-helixtrans-60.7-36.8174-71.9-177.4000111.9H1681 G1689 L1690 W1691H1681-L1685 VanDerWaalsContact NE2-CD1 3.25Å; H1681-L1685 WeakPolarHBondContact NE2-CD1 3.34Å; H1681-L1685 WeakPolarHBondContact O-CB 3.43Å; H1681-L1685 WeakPolarHBondContact O-CG 3.26Å; H1681-L1685 PolarHBondContact O-N 2.85Å; L1685-G1689 CarbonylContact O-C 3.53Å; L1685-G1689 PolarHBondContact O-N 2.88Å; L1685-L1690 HydrophobicContact CB-CB 4.48Å; L1685-L1690 HydrophobicContact CD2-CB 3.67Å; L1685-L1690 HydrophobicContact CD2-CD1 4.04Å; L1685-L1690 PolarHBondContact O-N 2.94Å; L1685-W1691 HydrophobicContact CB-CB 4.27Å; L1685-W1691 HydrophobicContact CB-CE3 4.04Å; L1685-W1691 HydrophobicContact CD1-CE3 3.71Å; L1685-W1691 HydrophobicContact CD1-CZ3 4.04Å; L1685-W1691 PolarHBondContact O-N 2.83Å
1686R80.6Confident77.1Confident81 Ų8147.2 Ų47.231%0.30623%0.228SC..Hα-helixtrans-72.4-43.4175.4-77.1-178.3176.2-170.1-0.2112.3R1682 Y1683 M1684 L1688 G1689 W1691R1682-R1686 WeakPolarHBondContact O-CB 3.37Å; R1682-R1686 VanDerWaalsContact O-CG 3.31Å; R1682-R1686 WeakPolarHBondContact O-CG 3.28Å; R1682-R1686 PolarHBondContact O-N 3.34Å; Y1683-R1686 PolarHBondContact O-N 3.47Å; M1684-R1686 VanDerWaalsContact C-N 3.29Å; M1684-R1686 PolarHBondContact O-N 3.16Å; R1686-L1688 VanDerWaalsContact C-N 3.28Å; R1686-L1688 PolarHBondContact O-N 2.81Å; R1686-G1689 PolarHBondContact O-N 3.13Å; R1686-W1691 HydrophobicContact CG-CB 3.85Å; R1686-W1691 HydrophobicContact CG-CD2 4.43Å; R1686-W1691 HydrophobicContact CG-CG 3.91Å
1687K78.9Confident75.4Confident68 Ų6849.8 Ų49.830%0.29625%0.249SC..Hα-helixtrans-59.8-38.1177.3-176.3179.2-179.6-179.10112Y1683 M1684Y1683-K1687 WeakPolarHBondContact O-CB 3.43Å; Y1683-K1687 PolarHBondContact O-N 3.39Å; M1684-K1687 PolarHBondContact O-N 3Å; M1684-K1687 HydrophobicContact SD-CD 4.45Å
1688L77.4Confident73.6Confident23 Ų2353.3 Ų53.312%0.1227%0.267CS..THydrogen-bonded Turntrans-89-8.4177.5-63.1174.1000114A1294 G1297 A1298 V1493 L1497 M1684 R1686 L1690A1294-L1688 CarbonylContact O-C 3.34Å; G1297-L1688 CarbonylContact C-O 3.5Å; G1297-L1688 WeakPolarHBondContact CA-O 3.27Å; G1297-L1688 PolarHBondContact N-O 3.45Å; A1298-L1688 PolarHBondContact N-O 3.19Å; V1493-L1688 HydrophobicContact CG1-CD2 3.84Å; L1497-L1688 HydrophobicContact CD1-CD2 4Å; M1684-L1688 WeakPolarHBondContact O-CB 3.12Å; M1684-L1688 WeakPolarHBondContact O-CG 3.25Å; M1684-L1688 PolarHBondContact O-N 3.44Å; R1686-L1688 VanDerWaalsContact C-N 3.28Å; R1686-L1688 PolarHBondContact O-N 2.81Å; L1688-L1690 HydrophobicContact CB-CD1 3.82Å; L1688-L1690 HydrophobicContact CB-CG 4.06Å; L1688-L1690 HydrophobicContact CD1-CD1 3.95Å
1689G72.8Confident72Confident8 Ų855.2 Ų55.28%0.08228%0.278CS..THydrogen-bonded Turntrans84.40.9-178.400000117.9A1294 L1685 R1686 W1691A1294-G1689 WeakPolarHBondContact O-CA 3.24Å; A1294-G1689 PolarHBondContact O-N 2.98Å; L1685-G1689 CarbonylContact O-C 3.53Å; L1685-G1689 PolarHBondContact O-N 2.88Å; R1686-G1689 PolarHBondContact O-N 3.13Å; G1689-W1691 PolarHBondContact O-N 3.38Å
1690L76Confident70.5Confident17 Ų1757.9 Ų57.99%0.08929%0.29CS..THydrogen-bonded Turntrans-77-9.6-173.8-59.6163.3000112.6A1298 K1301 R1609 L1685 L1688 K1692A1298-L1690 HydrophobicContact CB-CD2 3.8Å; A1298-L1690 HydrophobicContact CB-CG 4.49Å; K1301-L1690 HydrophobicContact CD-CD1 4.48Å; K1301-L1690 HydrophobicContact CD-CD2 4.34Å; R1609-L1690 PolarHBondContact NH2-O 2.89Å; L1685-L1690 HydrophobicContact CB-CB 4.48Å; L1685-L1690 HydrophobicContact CD2-CB 3.67Å; L1685-L1690 HydrophobicContact CD2-CD1 4.04Å; L1685-L1690 PolarHBondContact O-N 2.94Å; L1688-L1690 HydrophobicContact CB-CD1 3.82Å; L1688-L1690 HydrophobicContact CB-CG 4.06Å; L1688-L1690 HydrophobicContact CD1-CD1 3.95Å; L1690-K1692 PolarHBondContact O-N 3.01Å
1691W77.3Confident68.6Low24 Ų2458.5 Ų58.59%0.09130%0.3CS..THydrogen-bonded Turntrans-71.1-23.9-176.2-173.6-98.5000115.2K1612 W1615 V1616 I1619 R1682 L1685 R1686 G1689K1612-W1691 HydrophobicContact CG-CZ2 4.13Å; W1615-W1691 HydrophobicContact CB-CH2 4.08Å; W1615-W1691 HydrophobicContact CB-CZ3 3.94Å; V1616-W1691 HydrophobicContact CG2-CH2 3.92Å; V1616-W1691 HydrophobicContact CG2-CZ2 3.64Å; I1619-W1691 HydrophobicContact CD1-CH2 4.48Å; R1682-W1691 HydrophobicContact CB-CE3 4.4Å; R1682-W1691 HydrophobicContact CB-CH2 4.32Å; R1682-W1691 HydrophobicContact CB-CZ3 3.91Å; R1682-W1691 HydrophobicContact CG-CD2 4.46Å; R1682-W1691 HydrophobicContact CG-CE3 4.08Å; R1682-W1691 HydrophobicContact CG-CH2 3.93Å; R1682-W1691 HydrophobicContact CG-CZ2 4.3Å; R1682-W1691 HydrophobicContact CG-CZ3 3.81Å; L1685-W1691 HydrophobicContact CB-CB 4.27Å; L1685-W1691 HydrophobicContact CB-CE3 4.04Å; L1685-W1691 HydrophobicContact CD1-CE3 3.71Å; L1685-W1691 HydrophobicContact CD1-CZ3 4.04Å; L1685-W1691 PolarHBondContact O-N 2.83Å; R1686-W1691 HydrophobicContact CG-CB 3.85Å; R1686-W1691 HydrophobicContact CG-CD2 4.43Å; R1686-W1691 HydrophobicContact CG-CG 3.91Å; G1689-W1691 PolarHBondContact O-N 3.38Å
1692K68.3Low66.4Low158 Ų15865.8 Ų65.869%0.68734%0.339SS*.SBendtrans-110.2146.9170.1-71.7-174.3176.2-176.20108.2R1609 L1690 A1694R1609-K1692 PolarHBondContact NH2-O 2.95Å; L1690-K1692 PolarHBondContact O-N 3.01Å; K1692-A1694 PolarHBondContact O-N 3.37Å
1693D56.1Low63.8Low115 Ų11572.9 Ų72.962%0.61537%0.37SS*.  trans-66.1110176.6-62.5-38.6000108.7R1609 N1695R1609-D1693 IonicContact NH2-OD1 2.67Å; D1693-N1695 PolarHBondContact O-N 3.46Å
1694A53Low61.4Low19 Ų1981.2 Ų81.216%0.15741%0.41CS..  trans-72.4114.716200000104.7A1298 K1692 L1696A1298-A1694 HydrophobicContact CB-CB 4.29Å; K1692-A1694 PolarHBondContact O-N 3.37Å; A1694-L1696 PolarHBondContact O-N 3.21Å
1695N52.3Low58.7Low142 Ų14288.5 Ų88.576%0.75944%0.444SS*.  trans-49.7119.9173.1-93.8-8.4000107.8D1693 T1697D1693-N1695 PolarHBondContact O-N 3.46Å; N1695-T1697 PolarHBondContact O-N 3.49Å; N1695-T1697 PolarHBondContact O-OG1 3.22Å
1696L51.3Low56.3Low93 Ų9393.4 Ų93.449%0.48748%0.477SS..  trans-69.865.3178-81.6107.8000110.1A1694 F1783A1694-L1696 PolarHBondContact O-N 3.21Å; L1696-F1783 HydrophobicContact CD2-CD2 4.39Å; L1696-F1783 HydrophobicContact CD2-CE2 3.62Å; L1696-F1783 HydrophobicContact CD2-CZ 4.43Å
1697T51.3Low53.9Low106 Ų10699.7 Ų99.765%0.6550%0.501SS*.  trans-79.6134.7162.649.20000108.1N1695 T1699N1695-T1697 PolarHBondContact O-N 3.49Å; N1695-T1697 PolarHBondContact O-OG1 3.22Å; T1697-T1699 PolarHBondContact O-N 3.46Å; T1697-T1699 VanDerWaalsContact O-N 3.09Å
1698D50.9Low51.9Low87 Ų87101.7 Ų101.747%0.46552%0.524SS..  trans-45.2115.4-176.8-66.9-27.2000111.5F1700 T1701D1698-F1700 VanDerWaalsContact C-N 3.29Å; D1698-F1700 PolarHBondContact O-N 3.33Å; D1698-T1701 HydrophobicContact CB-CG2 3.36Å; D1698-T1701 PolarHBondContact O-OG1 3.13Å
1699T57.5Low49.7Very low40 Ų40105.1 Ų105.125%0.24556%0.555CS.*THydrogen-bonded Turntrans-75.7-17.7-16613.70000113.9V1299 N1302 Q1303 E1306 T1697V1299-T1699 HydrophobicContact CG1-CG2 4.1Å; N1302-T1699 HydrophobicContact CB-CG2 4.28Å; Q1303-T1699 HydrophobicContact CG-CG2 4.18Å; E1306-T1699 PolarHBondContact OE2-OG1 3.19Å; T1697-T1699 PolarHBondContact O-N 3.46Å; T1697-T1699 VanDerWaalsContact O-N 3.09Å
1700F58.3Low47.9Very low67 Ų67110.6 Ų110.629%0.29459%0.592SS.*THydrogen-bonded Turntrans-112.755.1172.3-60.7-70.5000111.3Q1303 E1306 D1698Q1303-F1700 HydrophobicContact CB-CE1 4.26Å; Q1303-F1700 HydrophobicContact CB-CE2 4.04Å; Q1303-F1700 HydrophobicContact CB-CZ 3.58Å; Q1303-F1700 HydrophobicContact CG-CE1 3.98Å; Q1303-F1700 HydrophobicContact CG-CE2 4.16Å; Q1303-F1700 HydrophobicContact CG-CZ 3.73Å; Q1303-F1700 WeakPolarHBondContact O-CE2 3.48Å; E1306-F1700 HydrophobicContact CB-CD2 4.46Å; E1306-F1700 HydrophobicContact CB-CE2 4.18Å; E1306-F1700 VanDerWaalsContact CD-CD2 3.44Å; E1306-F1700 HydrophobicContact CG-CD2 4.13Å; E1306-F1700 HydrophobicContact CG-CE2 4.32Å; E1306-F1700 VanDerWaalsContact OE2-CD2 3.3Å; E1306-F1700 WeakPolarHBondContact OE2-CD2 3.01Å; D1698-F1700 VanDerWaalsContact C-N 3.29Å; D1698-F1700 PolarHBondContact O-N 3.33Å
1701T47.8Very low45.9Very low96 Ų96113.2 Ų113.259%0.58962%0.623SS**  trans-123.665.7176.552.90000113.9D1698D1698-T1701 HydrophobicContact CB-CG2 3.36Å; D1698-T1701 PolarHBondContact O-OG1 3.13Å
1702L43.9Very low43.7Very low164 Ų164116.8 Ų116.886%0.85965%0.652SS**SBendtrans-147103.5157.9-85.7171.9000108.8
1703K33.4Very low42Very low163 Ų163115.8 Ų115.871%0.70965%0.654SS**  trans80.386.8162.2-58.9173.8176.4170.30119
1704E34.3Very low40.9Very low200 Ų200117.2 Ų117.294%0.93567%0.667SS**  trans-121.963.6133.9-80.7-172.6166.500108.5
1705E29.5Very low39.8Very low166 Ų166119.9 Ų119.978%0.77670%0.697SS**  trans-94.1128.7153.5-83.1-170.6163.500107.2R1707E1705-R1707 PolarHBondContact O-N 2.92Å
1706P32.5Very low38.8Very low124 Ų124118.6 Ų118.681%0.80570%0.699SS**  trans-69.899.4178.429.4-31000107.9S1708P1706-S1708 VanDerWaalsContact C-N 3.29Å; P1706-S1708 PolarHBondContact O-N 3.49Å
1707R29.3Very low38.1Very low213 Ų213119.4 Ų119.480%0.80471%0.709SS**  trans-70.191.7170.5-81.5-176.5173.9-177.4-6.8109.2E1705E1705-R1707 PolarHBondContact O-N 2.92Å
1708S36.2Very low37Very low111 Ų111123.4 Ų123.478%0.77672%0.718SS**  trans-55.7141.8158.843.50000110.7P1706P1706-S1708 VanDerWaalsContact C-N 3.29Å; P1706-S1708 PolarHBondContact O-N 3.49Å
1709A32.5Very low35.9Very low94 Ų94128.5 Ų128.578%0.77774%0.736SS**  trans-74.7137.6167.200000110.3
1710S33.8Very low34.6Very low124 Ų124134.1 Ų134.187%0.86776%0.763SS**  trans125.1142.1152.674.30000113.8
1711G33.5Very low33.1Very low72 Ų72134.3 Ų134.374%0.74278%0.777SS**  trans-61.1-179.1-169.600000113.9
1712S31.2Very low32.1Very low99 Ų99138.1 Ų138.169%0.69279%0.788SS**  cis-174.9159.215.448.20000105.8
1713D33.8Very low31.3Very low136 Ų136138.8 Ų138.873%0.72779%0.786SS**  trans78.4122.5146.6-62.1-17.8000121.1
1714T32Very low31.4Very low146 Ų146135.4 Ų135.490%0.89678%0.781SS**  trans77.7129145.669.10000116.3
1715G31.1Very low31Very low75 Ų75134.6 Ų134.677%0.77377%0.774SS**  cis-177.6148.85.300000108.5
1716S30.7Very low31Very low115 Ų115133.1 Ų133.180%0.80478%0.777SS**  trans-54.4-174.1176.569.70000115.5
1717P36.3Very low30.7Very low109 Ų109133.3 Ų133.371%0.70878%0.775SS**  cis-142.5165.8-5.136.6-16.5000116.1
1718K28.6Very low30.5Very low190 Ų190129.2 Ų129.283%0.82677%0.774SS**  trans168.9109.1133.1-95.2168.8-178.4178.40108.8
1719K27.9Very low30Very low194 Ų194129.4 Ų129.484%0.84377%0.77SS**  54.1118.399.2-72.1-175175.8-178.50110.7
1720I29.9Very low29.7Very low159 Ų159133.6 Ų133.682%0.81577%0.774SS**  -155.611360.7-70.9161.8000105.9
1721A27.4Very low29.3Very low71 Ų71132.9 Ų132.959%0.58777%0.769SS**  65.4121.584.200000115.1
1722Q27.3Very low29Very low175 Ų175136.2 Ų136.282%0.81877%0.77SS**  trans70.8108.7146.2-66.3161.9-19.900116.5
1723E26.8Very low28.9Very low178 Ų178137 Ų13783%0.83277%0.771SS**  57.715684.3-80.5-162.2-179.500114.4
1724P34.7Very low28.7Very low93 Ų93137 Ų13760%0.60477%0.77SS**  cis-136.1-152.6-38.331.5-8.3000109.8
1725K26.1Very low28.5Very low182 Ų182138.3 Ų138.379%0.79177%0.766SS**  trans95.7107.2153.3-66.4162.1-179.2176.40120.9
1726V29.1Very low28.4Very low136 Ų136138 Ų13882%0.82476%0.763SS**  trans-26.1122.7131.7178.40000113.8
1727V26.5Very low28.2Very low127 Ų127138.6 Ų138.677%0.7776%0.762SS**  trans-152.2130.2146.7-178.60000110.3
1728V24.8Very low27.9Very low128 Ų128138.9 Ų138.978%0.77677%0.766SS**  trans-84.9126.6163.5170.20000107.2
1729T25.4Very low27.8Very low115 Ų115134 Ų13471%0.70677%0.769SS**  trans169.1134.8134.632.30000113.3
1730Q26Very low27.9Very low181 Ų181128.5 Ų128.585%0.84677%0.768SS**  trans3.9127.1147.1-65.9165.1-32.700119
1731S26.4Very low27.6Very low110 Ų110129.1 Ų129.177%0.76977%0.767SS**  165.1122.6111.857.60000110.8
1732D27Very low27.7Very low141 Ų141133.8 Ų133.875%0.75478%0.781SS**  trans31.3131.6140-63-27.2000122.3
1733T28.5Very low27.8Very low117 Ų117129.9 Ų129.972%0.71877%0.769SS**  trans73.6123134.653.90000121.6
1734L29.9Very low28.1Very low135 Ų135128.3 Ų128.371%0.70776%0.764SS**  trans78.3118.2130.3-73.5158.9000119.4
1735E28.5Very low28Very low173 Ų173129.5 Ų129.581%0.80877%0.772SS**  trans75.8111.5130.2-77.9173.5-178.200119.6
1736G28.3Very low28.5Very low69 Ų69126 Ų12671%0.71177%0.771SS**  trans84.6151.9133.400000115.5
1737T27.7Very low28.8Very low128 Ų128127.4 Ų127.479%0.78577%0.774SS**  cis-162.1148.2-9.6-48.80000103.1
1738S28.3Very low29.1Very low115 Ų115125.9 Ų125.980%0.80477%0.766SS**  trans53.8123.8147.458.20000120.6
1739G27.4Very low29.4Very low86 Ų86127.1 Ų127.189%0.88777%0.769SS**  134.9102.8124.300000114.8
1740G29Very low29.5Very low79 Ų79126.2 Ų126.281%0.81477%0.773SS**  trans16655.9168.800000114.7
1741E25Very low29.7Very low172 Ų172123.6 Ų123.680%0.80477%0.769SS**  trans-68.4138.3175.6-168.3-179.2178.800112.1V1743E1741-V1743 HydrophobicContact CG-CG2 3.62Å; E1741-V1743 WeakPolarHBondContact OE1-CG2 3.32Å
1742I28.8Very low29.9Very low170 Ų170122.8 Ų122.887%0.87276%0.763SS**  trans-133.6121.7163.6-60.6177.8000107.7
1743V29.1Very low30Very low92 Ų92123 Ų12356%0.55876%0.764SS**  trans-120.3165.7-174.4-1650000109.6E1741E1741-V1743 HydrophobicContact CG-CG2 3.62Å; E1741-V1743 WeakPolarHBondContact OE1-CG2 3.32Å
1744I33.6Very low30.2Very low145 Ų145125.9 Ų125.974%0.74477%0.772SS**  trans77.1153.3153.513.9-179.4000119.3
1745P33.4Very low30.3Very low118 Ų118128.8 Ų128.877%0.76678%0.782SS**  cis-142.5162.8-0.724.61.9000120.2
1746S36.1Very low30.4Very low110 Ų110130 Ų13077%0.76979%0.788SS**  trans-72.4144.115946.70000113.2
1747D34.5Very low30.7Very low164 Ų164135 Ų13588%0.87780%0.797SS**  trans-137.5151.1164.8-133.124000109.7
1748P32.7Very low30.9Very low95 Ų95136.5 Ų136.562%0.61780%0.8SS**  trans-120.3174.7-14928-5.5000114
1749N32.3Very low31.1Very low155 Ų155137.2 Ų137.283%0.82980%0.804SS**  trans105.4113.3168.7-54-36.1000117.4
1750A27.3Very low31.5Very low95 Ų95141 Ų14179%0.78580%0.798SS**  trans83.9125136.300000118.7
1751V29.7Very low32.3Very low127 Ų127142.4 Ų142.477%0.7779%0.793SS**  cis-167.5141.410.6-167.30000112.5
1752S31.6Very low33Very low92 Ų92140.3 Ų140.364%0.64379%0.794SS**  trans50.6139.914966.30000123.6
1753N29.2Very low33.3Very low146 Ų146138.4 Ų138.478%0.78179%0.785SS**  cis-165.8139.40.3-95.1-12.6000108.5
1754M31.3Very low34Very low178 Ų178139.6 Ų139.688%0.87779%0.794SS**  trans140.798.2138.6-76.8-171.8-76.200114.9
1755E33.5Very low34.8Very low196 Ų196138.1 Ų138.192%0.91678%0.784SS**  trans68.990.8148.4-66.1-179.9165.500120.2
1756E29.3Very low35.5Very low199 Ų199141.6 Ų141.693%0.9379%0.787SS**  trans-74138.3158.5-69.9172.614600110.9
1757L35.5Very low36Very low173 Ų173145.9 Ų145.991%0.90680%0.795SS**  trans-128.4122.8162.5-144.9112.3000108.1
1758D31.6Very low37.1Very low160 Ų160141 Ų14186%0.85677%0.773SS**  trans-46.1130.4-170.8-62.9-53000115.1
1759C32.5Very low39.1Very low130 Ų130138.6 Ų138.688%0.87877%0.766SS**  trans-132.2112.1160.1-83.50000109.2
1760E36.4Very low41.1Very low165 Ų165136.8 Ų136.877%0.77176%0.763SS**  trans-49.5151.6178.7-80.6175.7124.200113.9
1761P44.1Very low43.4Very low109 Ų109138.2 Ų138.271%0.70876%0.756SS**  trans-55144.3166.926-34.1000110.1I1763P1761-I1763 PolarHBondContact O-N 3.03Å
1762P39.7Very low45.7Very low127 Ų127133.6 Ų133.683%0.82574%0.735SS**  trans-60112.3179.825.4-32000108.6
1763I36.4Very low47.8Very low131 Ų131135.5 Ų135.567%0.67273%0.727SS**  trans-45.7128.8169.4-59.4163.5000106.7P1761 E1765P1761-I1763 PolarHBondContact O-N 3.03Å; I1763-E1765 PolarHBondContact O-N 3.2Å
1764P43.6Very low50.1Low116 Ų116131.3 Ų131.375%0.75370%0.702SS**  trans-50.7119.6177.718.8-30.4000108.2K1766P1764-K1766 PolarHBondContact O-N 3.47Å
1765E49.5Very low52.4Low114 Ų114126 Ų12653%0.53368%0.677SS.*  trans-46.4102-177.7-89.1-169.8159.300107.9I1763 Q1767 R1773 H1776I1763-E1765 PolarHBondContact O-N 3.2Å; E1765-Q1767 PolarHBondContact O-N 3.46Å; E1765-Q1767 VanDerWaalsContact O-N 3.13Å; E1765-R1773 IonicContact OE2-NE 3.95Å; E1765-R1773 IonicContact OE2-NH2 3.21Å; E1765-R1773 PolarHBondContact OE2-NH2 3.04Å; E1765-H1776 IonicContact OE1-ND1 2.73Å
1766K47.9Very low54.7Low191 Ų191121 Ų12183%0.8365%0.653SS**  trans-50.3125172-158.4175.8-170.1176.60105.1P1764 S1768P1764-K1766 PolarHBondContact O-N 3.47Å; K1766-S1768 PolarHBondContact O-N 3.18Å
1767Q47.2Very low56.9Low201 Ų201116.7 Ų116.794%0.93963%0.633SS**  trans-49.688.4-178.7-82.1179.4-13.100109.4E1765E1765-Q1767 PolarHBondContact O-N 3.46Å; E1765-Q1767 VanDerWaalsContact O-N 3.13Å
1768S57.8Low58.9Low60 Ų60109 Ų10942%0.4259%0.593SS.*  trans-86.4139.5179.564.30000105.5K1766 R1773K1766-S1768 PolarHBondContact O-N 3.18Å; S1768-R1773 PolarHBondContact OG-N 3.3Å
1769G73.7Confident61.1Low46 Ų46104.6 Ų104.647%0.47457%0.566SS.*  trans-53.3162.3174.500000110.8I1771 G1772 R1773G1769-I1771 PolarHBondContact O-N 3.08Å; G1769-G1772 WeakPolarHBondContact O-CA 3.36Å; G1769-G1772 PolarHBondContact O-N 3.39Å; G1769-R1773 PolarHBondContact O-N 3.4Å; G1769-R1773 VanDerWaalsContact O-N 3.11Å
1770P75.5Confident63Low117 Ų117104.9 Ų104.976%0.7655%0.554SS**Hα-helixtrans-51.1-30.7-179.220-32.7000113.2F1774P1770-F1774 WeakPolarHBondContact O-CB 3.17Å; P1770-F1774 PolarHBondContact O-N 3.39Å
1771I75.6Confident64.6Low124 Ų12498.4 Ų98.464%0.63653%0.527SS*.Hα-helixtrans-69.2-43.7175.1-60168000112G1769 F1774 I1775G1769-I1771 PolarHBondContact O-N 3.08Å; I1771-F1774 PolarHBondContact O-N 3.38Å; I1771-I1775 HydrophobicContact CG2-CD1 3.94Å; I1771-I1775 WeakPolarHBondContact O-CG1 3.37Å; I1771-I1775 PolarHBondContact O-N 3.22Å
1772G77.9Confident65.3Low31 Ų31100.5 Ų100.532%0.3253%0.525SS..Hα-helixtrans-64.5-42.7178.200000111.7G1769 F1774 I1775 H1776G1769-G1772 WeakPolarHBondContact O-CA 3.36Å; G1769-G1772 PolarHBondContact O-N 3.39Å; G1772-F1774 PolarHBondContact O-N 3.3Å; G1772-I1775 PolarHBondContact O-N 3.11Å; G1772-H1776 WeakPolarHBondContact O-CB 3.35Å; G1772-H1776 PolarHBondContact O-N 3.49Å
1773R75.9Confident66.4Low131 Ų13197 Ų9749%0.49450%0.497SS..Hα-helixtrans-62.4-41.1172.7-179174.7-102.1174.5-4.1112.1E1765 S1768 G1769 H1776 Q1777E1765-R1773 IonicContact OE2-NE 3.95Å; E1765-R1773 IonicContact OE2-NH2 3.21Å; E1765-R1773 PolarHBondContact OE2-NH2 3.04Å; S1768-R1773 PolarHBondContact OG-N 3.3Å; G1769-R1773 PolarHBondContact O-N 3.4Å; G1769-R1773 VanDerWaalsContact O-N 3.11Å; R1773-H1776 PolarHBondContact O-N 3.31Å; R1773-Q1777 HydrophobicContact CG-CG 4.46Å; R1773-Q1777 WeakPolarHBondContact O-CB 3.39Å; R1773-Q1777 VanDerWaalsContact O-CG 3.24Å; R1773-Q1777 WeakPolarHBondContact O-CG 3.4Å; R1773-Q1777 PolarHBondContact O-N 2.83Å
1774F77.9Confident67.9Low58 Ų5896.1 Ų96.125%0.25449%0.485SS..Hα-helixtrans-62-45.4175.7176.3-102.6000112.3L1605 P1770 I1771 G1772 Q1777 L1778L1605-F1774 HydrophobicContact CB-CE1 4.36Å; L1605-F1774 HydrophobicContact CB-CZ 3.86Å; P1770-F1774 WeakPolarHBondContact O-CB 3.17Å; P1770-F1774 PolarHBondContact O-N 3.39Å; I1771-F1774 PolarHBondContact O-N 3.38Å; G1772-F1774 PolarHBondContact O-N 3.3Å; F1774-Q1777 PolarHBondContact O-N 3.17Å; F1774-L1778 WeakPolarHBondContact O-CB 3.32Å; F1774-L1778 PolarHBondContact O-N 3.07Å
1775I80Confident69Low66 Ų6693.8 Ų93.834%0.33846%0.462SS..Hα-helixtrans-65.6-40.3177.8-68171000111.1I1771 G1772 L1778 F1779I1771-I1775 HydrophobicContact CG2-CD1 3.94Å; I1771-I1775 WeakPolarHBondContact O-CG1 3.37Å; I1771-I1775 PolarHBondContact O-N 3.22Å; G1772-I1775 PolarHBondContact O-N 3.11Å; I1775-L1778 WeakPolarHBondContact O-CB 3.28Å; I1775-L1778 PolarHBondContact O-N 3.38Å; I1775-F1779 HydrophobicContact CG2-CD2 3.64Å; I1775-F1779 HydrophobicContact CG2-CE2 3.29Å; I1775-F1779 HydrophobicContact CG2-CZ 4.26Å; I1775-F1779 VanDerWaalsContact O-CD2 3.31Å; I1775-F1779 WeakPolarHBondContact O-CD2 3.33Å; I1775-F1779 PolarHBondContact O-N 3.44Å
1776H80.3Confident69.8Low91 Ų9189.3 Ų89.342%0.42144%0.441SS..Hα-helixtrans-62.4-45175.1-174.3-101000111.6E1765 G1772 R1773 L1778 F1779 H1780E1765-H1776 IonicContact OE1-ND1 2.73Å; G1772-H1776 WeakPolarHBondContact O-CB 3.35Å; G1772-H1776 PolarHBondContact O-N 3.49Å; R1773-H1776 PolarHBondContact O-N 3.31Å; H1776-L1778 VanDerWaalsContact C-N 3.27Å; H1776-L1778 PolarHBondContact O-N 3.38Å; H1776-F1779 PolarHBondContact O-N 3.31Å; H1776-H1780 AromaticContact NE2-CD2 3.9Å; H1776-H1780 PolarHBondContact O-N 3.14Å
1777Q76Confident70.8Confident109 Ų10984 Ų8451%0.50942%0.416SS..Hα-helixtrans-64.6-28.6174.5-73175.1-3.100113.3R1773 F1774 P1781R1773-Q1777 HydrophobicContact CG-CG 4.46Å; R1773-Q1777 WeakPolarHBondContact O-CB 3.39Å; R1773-Q1777 VanDerWaalsContact O-CG 3.24Å; R1773-Q1777 WeakPolarHBondContact O-CG 3.4Å; R1773-Q1777 PolarHBondContact O-N 2.83Å; F1774-Q1777 PolarHBondContact O-N 3.17Å; Q1777-P1781 WeakPolarHBondContact O-CA 3.24Å
1778L78.5Confident72.1Confident12 Ų1276.8 Ų76.86%0.06338%0.384CS..Hα-helixtrans-71.4-43.1175.8179.565.4000112L1605 F1774 I1775 H1776 L1859 I1909L1605-L1778 HydrophobicContact CD2-CD1 4.43Å; L1605-L1778 HydrophobicContact CD2-CD2 4.42Å; L1605-L1778 WeakPolarHBondContact O-CD1 3.35Å; F1774-L1778 WeakPolarHBondContact O-CB 3.32Å; F1774-L1778 PolarHBondContact O-N 3.07Å; I1775-L1778 WeakPolarHBondContact O-CB 3.28Å; I1775-L1778 PolarHBondContact O-N 3.38Å; H1776-L1778 VanDerWaalsContact C-N 3.27Å; H1776-L1778 PolarHBondContact O-N 3.38Å; L1778-L1859 HydrophobicContact CD2-CD1 4.39Å; L1778-L1859 HydrophobicContact CD2-CD2 4.3Å; L1778-I1909 HydrophobicContact CD1-CG2 4.42Å; L1778-I1909 HydrophobicContact CD2-CG2 4.33Å
1779F76.9Confident73.2Confident67 Ų6773.9 Ų73.929%0.29436%0.364SS..Hα-helixtrans-80.1-32.5-179.7-67.2-49.5000113.4I1775 H1776 P1781 V1855 V1856 L1859I1775-F1779 HydrophobicContact CG2-CD2 3.64Å; I1775-F1779 HydrophobicContact CG2-CE2 3.29Å; I1775-F1779 HydrophobicContact CG2-CZ 4.26Å; I1775-F1779 VanDerWaalsContact O-CD2 3.31Å; I1775-F1779 WeakPolarHBondContact O-CD2 3.33Å; I1775-F1779 PolarHBondContact O-N 3.44Å; H1776-F1779 PolarHBondContact O-N 3.31Å; F1779-P1781 VanDerWaalsContact C-CD 3.42Å; F1779-P1781 WeakPolarHBondContact O-CD 3.44Å; F1779-V1855 HydrophobicContact CD1-CG1 4.45Å; F1779-V1855 HydrophobicContact CE1-CG1 4.31Å; F1779-V1856 HydrophobicContact CE1-CG2 4.04Å; F1779-V1856 HydrophobicContact CZ-CG2 4.06Å; F1779-L1859 HydrophobicContact CE1-CD2 4.28Å; F1779-L1859 HydrophobicContact CZ-CD2 3.74Å
1780H71.5Confident73.7Confident136 Ų13672.3 Ų72.363%0.6334%0.343SS*.SBendtrans-122.567179.3-59.1-67.2000111.2H1776H1776-H1780 AromaticContact NE2-CD2 3.9Å; H1776-H1780 PolarHBondContact O-N 3.14Å
1781P70.5Confident73.8Confident29 Ų2968.7 Ų68.719%0.18832%0.32CS..  trans-69.8144.1178.730.4-35.1000111N1607 Q1777 F1779 F1783 R1784N1607-P1781 WeakPolarHBondContact ND2-CB 3.3Å; Q1777-P1781 WeakPolarHBondContact O-CA 3.24Å; F1779-P1781 VanDerWaalsContact C-CD 3.42Å; F1779-P1781 WeakPolarHBondContact O-CD 3.44Å; P1781-F1783 PolarHBondContact O-N 3.02Å; P1781-F1783 VanDerWaalsContact O-N 3.15Å; P1781-R1784 HydrophobicContact CG-CB 4.2Å
1782K59.3Low74.2Confident153 Ų15366.6 Ų66.667%0.66531%0.309SS*.SBendtrans-59.5-24.9172.4-164-179.7179.7-169.50112.1
1783F63.2Low74.7Confident54 Ų5465.1 Ų65.124%0.23729%0.294CS..SBendtrans-133.6110.8-176.3-66.4-61.6000109.5M1309 N1607 L1696 P1781M1309-F1783 VanDerWaalsContact CE-CA 3.44Å; M1309-F1783 HydrophobicContact CE-CB 3.3Å; M1309-F1783 HydrophobicContact CE-CD1 3.48Å; M1309-F1783 VanDerWaalsContact CE-CD1 3.48Å; M1309-F1783 HydrophobicContact CE-CG 3.81Å; M1309-F1783 HydrophobicContact SD-CB 4.32Å; M1309-F1783 HydrophobicContact SD-CD1 3.7Å; M1309-F1783 HydrophobicContact SD-CG 4.49Å; N1607-F1783 PolarHBondContact ND2-O 3.14Å; L1696-F1783 HydrophobicContact CD2-CD2 4.39Å; L1696-F1783 HydrophobicContact CD2-CE2 3.62Å; L1696-F1783 HydrophobicContact CD2-CZ 4.43Å; P1781-F1783 PolarHBondContact O-N 3.02Å; P1781-F1783 VanDerWaalsContact O-N 3.15Å
1784R66.6Low75.2Confident112 Ų11262 Ų6242%0.42328%0.284SS..  trans-109.9115.1178.5-168.5173.3177.8-174.4-8.9110.9P1781 I1786 N1911 Y1913P1781-R1784 HydrophobicContact CG-CB 4.2Å; R1784-I1786 HydrophobicContact CG-CG1 4.36Å; R1784-N1911 WeakPolarHBondContact CG-O 3.36Å; R1784-N1911 PolarHBondContact NE-O 3.42Å; R1784-N1911 VanDerWaalsContact NE-O 3.1Å; R1784-Y1913 PolarHBondContact NH2-O 2.79Å
1785Y66.6Low75.6Confident68 Ų6860.6 Ų60.627%0.26729%0.286SS..  trans-95.4119.4174.5-174.4-87000109Q1312 R1787 N1911Q1312-Y1785 PolarHBondContact NE2-OH 2.92Å; Y1785-R1787 HydrophobicContact CD1-CB 4.33Å; Y1785-R1787 HydrophobicContact CE1-CB 4.13Å; Y1785-N1911 VanDerWaalsContact O-CA 3.26Å; Y1785-N1911 WeakPolarHBondContact O-CA 3.29Å; Y1785-N1911 WeakPolarHBondContact O-CB 3.42Å; Y1785-N1911 VanDerWaalsContact O-CG 3.23Å
1786I66.7Low76.1Confident19 Ų1958.5 Ų58.510%0.09728%0.276CS..  trans-96122.1-171.4-60.9169.4000109.5R1784 P1914R1784-I1786 HydrophobicContact CG-CG1 4.36Å; I1786-P1914 HydrophobicContact CG2-CB 4.07Å
1787R69.3Low76.6Confident79 Ų7954.3 Ų54.330%0.29826%0.256SS..  trans-148.2139177-168.8173.4176.1159-2.7110.1Y1785 L1789 Q1908Y1785-R1787 HydrophobicContact CD1-CB 4.33Å; Y1785-R1787 HydrophobicContact CE1-CB 4.13Å; R1787-L1789 HydrophobicContact CG-CD2 4.09Å; R1787-L1789 HydrophobicContact CG-CG 4.25Å; R1787-Q1908 PolarHBondContact O-NE2 3.47Å; R1787-Q1908 PolarHBondContact O-OE1 3.12Å; R1787-Q1908 VanDerWaalsContact O-OE1 3.09Å
1788D73.7Confident77Confident50 Ų5051.5 Ų51.527%0.26725%0.246SC..  trans-96.2117.8170.3-175.217.1000110.8Y1790 Y1850 P1914D1788-Y1790 WeakPolarHBondContact OD1-CB 3.49Å; D1788-Y1790 PolarHBondContact OD1-N 3.15Å; D1788-Y1850 PolarHBondContact OD2-OH 2.94Å; D1788-P1914 HydrophobicContact CB-CG 4.13Å
1789L81.1Confident77.5Confident0 Ų054.8 Ų54.80%026%0.263CS..  trans-113.54179.1-58.3164.8000112.2R1787 I1792 M1793 V1904 W1907 Q1908R1787-L1789 HydrophobicContact CG-CD2 4.09Å; R1787-L1789 HydrophobicContact CG-CG 4.25Å; L1789-I1792 HydrophobicContact CD2-CD1 4.02Å; L1789-I1792 WeakPolarHBondContact O-CB 3.36Å; L1789-I1792 PolarHBondContact O-N 3.45Å; L1789-I1792 VanDerWaalsContact O-N 3.09Å; L1789-M1793 WeakPolarHBondContact O-CG 3.37Å; L1789-M1793 PolarHBondContact O-N 2.89Å; L1789-V1904 HydrophobicContact CB-CG1 3.81Å; L1789-V1904 HydrophobicContact CD1-CG1 4.23Å; L1789-V1904 HydrophobicContact CG-CG1 4.47Å; L1789-W1907 HydrophobicContact CD1-CB 3.95Å; L1789-W1907 HydrophobicContact CD1-CD2 3.46Å; L1789-W1907 VanDerWaalsContact CD1-CD2 3.46Å; L1789-W1907 HydrophobicContact CD1-CE3 3.42Å; L1789-W1907 VanDerWaalsContact CD1-CE3 3.42Å; L1789-W1907 HydrophobicContact CD1-CG 3.7Å; L1789-W1907 HydrophobicContact CD1-CZ3 4.13Å; L1789-W1907 HydrophobicContact CD2-CE3 3.92Å; L1789-W1907 HydrophobicContact CD2-CH2 4.29Å; L1789-W1907 HydrophobicContact CD2-CZ3 3.77Å; L1789-W1907 HydrophobicContact CG-CE3 4.34Å; L1789-Q1908 HydrophobicContact CD1-CB 4.29Å
1790Y84.7Confident78.1Confident12 Ų1251.7 Ų51.75%0.04725%0.25CC..Hα-helixtrans-57.8-42.5-176.6-178.6-92.5000113.9D1788 I1792 M1793 F1794 R1847 Y1850D1788-Y1790 WeakPolarHBondContact OD1-CB 3.49Å; D1788-Y1790 PolarHBondContact OD1-N 3.15Å; Y1790-I1792 PolarHBondContact O-N 3.34Å; Y1790-M1793 WeakPolarHBondContact O-CB 3.42Å; Y1790-M1793 PolarHBondContact O-N 3.42Å; Y1790-M1793 VanDerWaalsContact O-N 3.1Å; Y1790-F1794 HydrophobicContact CE1-CB 4.25Å; Y1790-F1794 PolarHBondContact O-N 3.01Å; Y1790-R1847 VanDerWaalsContact CE1-NH1 3.28Å; Y1790-R1847 WeakPolarHBondContact OH-CA 3.33Å; Y1790-R1847 VanDerWaalsContact OH-CB 3.26Å; Y1790-R1847 WeakPolarHBondContact OH-CB 3.47Å; Y1790-R1847 WeakPolarHBondContact OH-CD 3.31Å; Y1790-Y1850 VanDerWaalsContact CB-CD2 3.46Å; Y1790-Y1850 AromaticContact CD1-CD1 3.94Å; Y1790-Y1850 HydrophobicContact CD1-CD1 3.94Å; Y1790-Y1850 HydrophobicContact CD1-CD2 4.27Å; Y1790-Y1850 HydrophobicContact CD1-CE1 4.01Å; Y1790-Y1850 HydrophobicContact CD1-CE2 4.33Å; Y1790-Y1850 HydrophobicContact CD1-CG 4.07Å; Y1790-Y1850 HydrophobicContact CD2-CD1 4.12Å; Y1790-Y1850 AromaticContact CD2-CD2 3.61Å; Y1790-Y1850 HydrophobicContact CD2-CD2 3.61Å; Y1790-Y1850 HydrophobicContact CD2-CE2 4.36Å; Y1790-Y1850 AromaticContact CD2-CG 3.46Å; Y1790-Y1850 HydrophobicContact CD2-CG 3.46Å; Y1790-Y1850 VanDerWaalsContact CD2-CG 3.46Å; Y1790-Y1850 HydrophobicContact CE1-CD1 4.19Å; Y1790-Y1850 HydrophobicContact CE1-CG 4.48Å; Y1790-Y1850 HydrophobicContact CE2-CD1 4.33Å; Y1790-Y1850 HydrophobicContact CE2-CD2 4.48Å; Y1790-Y1850 AromaticContact CE2-CG 3.89Å; Y1790-Y1850 HydrophobicContact CE2-CG 3.89Å; Y1790-Y1850 AromaticContact CG-CD1 3.93Å; Y1790-Y1850 HydrophobicContact CG-CD1 3.93Å; Y1790-Y1850 AromaticContact CG-CD2 3.49Å; Y1790-Y1850 HydrophobicContact CG-CD2 3.49Å; Y1790-Y1850 VanDerWaalsContact CG-CD2 3.49Å; Y1790-Y1850 HydrophobicContact CG-CE1 4.19Å; Y1790-Y1850 AromaticContact CG-CE2 3.77Å; Y1790-Y1850 HydrophobicContact CG-CE2 3.77Å; Y1790-Y1850 AromaticContact CG-CG 3.57Å; Y1790-Y1850 HydrophobicContact CG-CG 3.57Å
1791P78Confident78.9Confident41 Ų4148.2 Ų48.227%0.26623%0.233SC..Hα-helixtrans-59.5-34.7176.5-25.835.6000113.5G1795 L1921P1791-G1795 PolarHBondContact O-N 2.64Å; P1791-L1921 HydrophobicContact CB-CB 4.08Å; P1791-L1921 HydrophobicContact CB-CD2 3.71Å; P1791-L1921 HydrophobicContact CB-CG 4.42Å; P1791-L1921 HydrophobicContact CG-CB 4.16Å; P1791-L1921 HydrophobicContact CG-CD2 4.43Å
1792I83.6Confident79.6Confident81 Ų8150.6 Ų50.642%0.41524%0.244SC..Hα-helixtrans-69.7-43.5176.5-61.8172000109.5L1789 Y1790 G1795 I1796 V1904L1789-I1792 HydrophobicContact CD2-CD1 4.02Å; L1789-I1792 WeakPolarHBondContact O-CB 3.36Å; L1789-I1792 PolarHBondContact O-N 3.45Å; L1789-I1792 VanDerWaalsContact O-N 3.09Å; Y1790-I1792 PolarHBondContact O-N 3.34Å; I1792-G1795 PolarHBondContact O-N 2.94Å; I1792-I1796 HydrophobicContact CG2-CD1 3.96Å; I1792-I1796 VanDerWaalsContact O-CG1 3.28Å; I1792-I1796 WeakPolarHBondContact O-CG1 3.46Å; I1792-I1796 PolarHBondContact O-N 3.05Å; I1792-V1904 HydrophobicContact CB-CG1 4.5Å; I1792-V1904 HydrophobicContact CG2-CG1 4.19Å; I1792-V1904 HydrophobicContact CG2-CG2 4.38Å
1793M88.7Confident81Confident0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-59.9-47176.8-66.9168.655.900111.9L1789 Y1790 G1795 I1796 D1797 K1858 Y1901 V1904 Q1908L1789-M1793 WeakPolarHBondContact O-CG 3.37Å; L1789-M1793 PolarHBondContact O-N 2.89Å; Y1790-M1793 WeakPolarHBondContact O-CB 3.42Å; Y1790-M1793 PolarHBondContact O-N 3.42Å; Y1790-M1793 VanDerWaalsContact O-N 3.1Å; M1793-G1795 PolarHBondContact O-N 3.02Å; M1793-I1796 PolarHBondContact O-N 3.37Å; M1793-D1797 PolarHBondContact O-N 2.74Å; M1793-K1858 VanDerWaalsContact CE-CE 3.46Å; M1793-Y1901 HydrophobicContact CB-CD2 4.12Å; M1793-Y1901 HydrophobicContact CB-CE2 3.84Å; M1793-Y1901 HydrophobicContact CE-CE2 3.99Å; M1793-Y1901 HydrophobicContact CG-CE2 4.38Å; M1793-V1904 HydrophobicContact CG-CB 4.33Å; M1793-V1904 HydrophobicContact CG-CG1 3.65Å; M1793-V1904 HydrophobicContact SD-CG1 4.48Å; M1793-Q1908 HydrophobicContact SD-CB 4.14Å; M1793-Q1908 HydrophobicContact SD-CG 4.34Å
1794F87.1Confident81.9Confident64 Ų6442.8 Ų42.828%0.28121%0.211SC..Hα-helixtrans-62.1-43.2175.9178.3-103.7000112Y1790 I1796 D1797 V1798 I1843Y1790-F1794 HydrophobicContact CE1-CB 4.25Å; Y1790-F1794 PolarHBondContact O-N 3.01Å; F1794-I1796 VanDerWaalsContact C-N 3.32Å; F1794-I1796 PolarHBondContact O-N 3.46Å; F1794-D1797 PolarHBondContact O-N 3.28Å; F1794-V1798 HydrophobicContact CD1-CG2 4.14Å; F1794-V1798 HydrophobicContact CD2-CG2 4.48Å; F1794-V1798 HydrophobicContact CE1-CG2 3.69Å; F1794-V1798 HydrophobicContact CE2-CG2 4.06Å; F1794-V1798 HydrophobicContact CZ-CG2 3.64Å; F1794-V1798 WeakPolarHBondContact O-CG2 3.5Å; F1794-V1798 PolarHBondContact O-N 2.92Å; F1794-I1843 HydrophobicContact CD2-CG2 4.16Å; F1794-I1843 HydrophobicContact CE2-CG2 3.93Å
1795G85Confident82.5Confident29 Ų2940.2 Ų40.230%0.29921%0.208SC..Hα-helixtrans-58.6-41.9175.300000112.8P1791 I1792 M1793 V1798 I1799P1791-G1795 PolarHBondContact O-N 2.64Å; I1792-G1795 PolarHBondContact O-N 2.94Å; M1793-G1795 PolarHBondContact O-N 3.02Å; G1795-V1798 PolarHBondContact O-N 3.35Å; G1795-I1799 VanDerWaalsContact O-CG1 3.29Å; G1795-I1799 WeakPolarHBondContact O-CG1 3.36Å; G1795-I1799 PolarHBondContact O-N 2.99Å
1796I91.1Very high83.2Confident23 Ų2344.7 Ų44.712%0.11823%0.229CC..Hα-helixtrans-65.8-39.3176-65.2167.6000111.2I1792 M1793 F1794 I1799 C1800 I1897 V1904I1792-I1796 HydrophobicContact CG2-CD1 3.96Å; I1792-I1796 VanDerWaalsContact O-CG1 3.28Å; I1792-I1796 WeakPolarHBondContact O-CG1 3.46Å; I1792-I1796 PolarHBondContact O-N 3.05Å; M1793-I1796 PolarHBondContact O-N 3.37Å; F1794-I1796 VanDerWaalsContact C-N 3.32Å; F1794-I1796 PolarHBondContact O-N 3.46Å; I1796-I1799 WeakPolarHBondContact O-CB 3.14Å; I1796-I1799 PolarHBondContact O-N 3.01Å; I1796-C1800 PolarHBondContact O-N 3.39Å; I1796-C1800 PolarHBondContact O-SG 3.2Å; I1796-I1897 HydrophobicContact CG2-CG2 3.52Å; I1796-I1897 WeakPolarHBondContact CG2-O 3.39Å; I1796-V1904 HydrophobicContact CD1-CG2 4.08Å
1797D90.2Very high83.6Confident2 Ų244.1 Ų44.11%0.01123%0.228CC..Hα-helixtrans-68.9-36.4177.3-83.2-10.7000112.9M1793 F1794 I1799 C1800 F1801 M1839 I1843 K1898 Y1901M1793-D1797 PolarHBondContact O-N 2.74Å; F1794-D1797 PolarHBondContact O-N 3.28Å; D1797-I1799 VanDerWaalsContact C-N 3.33Å; D1797-C1800 WeakPolarHBondContact O-CB 3.31Å; D1797-C1800 PolarHBondContact O-N 3Å; D1797-F1801 WeakPolarHBondContact O-CB 3.43Å; D1797-F1801 PolarHBondContact O-N 2.91Å; D1797-M1839 HydrophobicContact CB-CE 3.43Å; D1797-M1839 VanDerWaalsContact CB-CE 3.43Å; D1797-M1839 WeakPolarHBondContact OD1-CE 3.41Å; D1797-I1843 HydrophobicContact CB-CD1 4.23Å; D1797-I1843 HydrophobicContact CB-CG1 3.98Å; D1797-K1898 IonicContact OD1-NZ 3Å; D1797-K1898 PolarHBondContact OD1-NZ 2.83Å; D1797-K1898 IonicContact OD2-NZ 3.66Å; D1797-Y1901 VanDerWaalsContact OD1-CD2 3.29Å; D1797-Y1901 WeakPolarHBondContact OD1-CD2 3.4Å; D1797-Y1901 WeakPolarHBondContact OD2-CE2 3.33Å
1798V85.6Confident83.9Confident50 Ų5041.7 Ų41.730%0.30322%0.219SC..Hα-helixtrans-63.4-39.9170.81720000110.8F1794 G1795 F1801 L1802F1794-V1798 HydrophobicContact CD1-CG2 4.14Å; F1794-V1798 HydrophobicContact CD2-CG2 4.48Å; F1794-V1798 HydrophobicContact CE1-CG2 3.69Å; F1794-V1798 HydrophobicContact CE2-CG2 4.06Å; F1794-V1798 HydrophobicContact CZ-CG2 3.64Å; F1794-V1798 WeakPolarHBondContact O-CG2 3.5Å; F1794-V1798 PolarHBondContact O-N 2.92Å; G1795-V1798 PolarHBondContact O-N 3.35Å; V1798-F1801 WeakPolarHBondContact O-CB 3.35Å; V1798-F1801 PolarHBondContact O-N 3.39Å; V1798-L1802 HydrophobicContact CG1-CD1 4.35Å; V1798-L1802 WeakPolarHBondContact O-CG 3.39Å; V1798-L1802 PolarHBondContact O-N 2.97Å
1799I88.7Confident83.9Confident82 Ų8241.1 Ų41.142%0.42122%0.219SC..Hα-helixtrans-63.1-42.8173.6-67.1164.7000110.6G1795 I1796 D1797 F1801 L1802 I1803 I1897G1795-I1799 VanDerWaalsContact O-CG1 3.29Å; G1795-I1799 WeakPolarHBondContact O-CG1 3.36Å; G1795-I1799 PolarHBondContact O-N 2.99Å; I1796-I1799 WeakPolarHBondContact O-CB 3.14Å; I1796-I1799 PolarHBondContact O-N 3.01Å; D1797-I1799 VanDerWaalsContact C-N 3.33Å; I1799-F1801 VanDerWaalsContact C-N 3.33Å; I1799-F1801 PolarHBondContact O-N 3.47Å; I1799-L1802 PolarHBondContact O-N 3.45Å; I1799-I1803 HydrophobicContact CG2-CD1 3.93Å; I1799-I1803 HydrophobicContact CG2-CG1 4.49Å; I1799-I1803 WeakPolarHBondContact O-CG1 3.28Å; I1799-I1803 PolarHBondContact O-N 3.06Å; I1799-I1897 HydrophobicContact CG2-CD1 3.9Å; I1799-I1897 HydrophobicContact CG2-CG2 4.23Å
1800C89.8Confident83.6Confident2 Ų241.6 Ų41.61%0.01422%0.223CC..Hα-helixtrans-59.8-43.8174.3-66.40000111.6I1796 D1797 L1802 I1803 M1804 M1839 I1897I1796-C1800 PolarHBondContact O-N 3.39Å; I1796-C1800 PolarHBondContact O-SG 3.2Å; D1797-C1800 WeakPolarHBondContact O-CB 3.31Å; D1797-C1800 PolarHBondContact O-N 3Å; C1800-L1802 PolarHBondContact O-N 3.39Å; C1800-I1803 PolarHBondContact O-N 3.43Å; C1800-M1804 WeakPolarHBondContact O-CG 3.48Å; C1800-M1804 PolarHBondContact O-N 2.86Å; C1800-M1839 HydrophobicContact CB-CE 4Å; C1800-I1897 VanDerWaalsContact SG-CG2 3.58Å
1801F87.7Confident83.2Confident62 Ų6241.1 Ų41.127%0.27222%0.221SC..Hα-helixtrans-59.6-44176.1-175.5-88.4000112.1D1797 V1798 I1799 M1804 T1805 L1836 T1840D1797-F1801 WeakPolarHBondContact O-CB 3.43Å; D1797-F1801 PolarHBondContact O-N 2.91Å; V1798-F1801 WeakPolarHBondContact O-CB 3.35Å; V1798-F1801 PolarHBondContact O-N 3.39Å; I1799-F1801 VanDerWaalsContact C-N 3.33Å; I1799-F1801 PolarHBondContact O-N 3.47Å; F1801-M1804 PolarHBondContact O-N 2.98Å; F1801-T1805 WeakPolarHBondContact O-CB 3.36Å; F1801-T1805 PolarHBondContact O-N 2.8Å; F1801-T1805 PolarHBondContact O-OG1 3.22Å; F1801-L1836 HydrophobicContact CE2-CD1 4.35Å; F1801-L1836 HydrophobicContact CE2-CD2 3.76Å; F1801-L1836 HydrophobicContact CE2-CG 3.78Å; F1801-L1836 HydrophobicContact CZ-CD1 4.39Å; F1801-L1836 HydrophobicContact CZ-CD2 4.19Å; F1801-L1836 HydrophobicContact CZ-CG 4.28Å; F1801-T1840 HydrophobicContact CD2-CG2 4.39Å; F1801-T1840 HydrophobicContact CE2-CG2 3.8Å
1802L85.9Confident82.8Confident79 Ų7939.8 Ų39.841%0.41421%0.214SC..Hα-helixtrans-65.3-40.6175.8-70.4174.3000112.3V1798 I1799 C1800 T1805 F1806V1798-L1802 HydrophobicContact CG1-CD1 4.35Å; V1798-L1802 WeakPolarHBondContact O-CG 3.39Å; V1798-L1802 PolarHBondContact O-N 2.97Å; I1799-L1802 PolarHBondContact O-N 3.45Å; C1800-L1802 PolarHBondContact O-N 3.39Å; L1802-T1805 PolarHBondContact O-N 3.19Å; L1802-F1806 HydrophobicContact CB-CD2 4.28Å; L1802-F1806 HydrophobicContact CB-CE2 4.22Å; L1802-F1806 HydrophobicContact CD2-CE2 4.09Å; L1802-F1806 WeakPolarHBondContact O-CB 3.34Å; L1802-F1806 WeakPolarHBondContact O-CD2 3.1Å; L1802-F1806 PolarHBondContact O-N 3.16Å
1803I86.9Confident81.8Confident37 Ų3743.3 Ų43.319%0.1923%0.229CC..Hα-helixtrans-63.4-41.9177-71.8169.8000111.3I1799 C1800 G1807 V1890 I1897I1799-I1803 HydrophobicContact CG2-CD1 3.93Å; I1799-I1803 HydrophobicContact CG2-CG1 4.49Å; I1799-I1803 WeakPolarHBondContact O-CG1 3.28Å; I1799-I1803 PolarHBondContact O-N 3.06Å; C1800-I1803 PolarHBondContact O-N 3.43Å; I1803-G1807 WeakPolarHBondContact O-CA 3.46Å; I1803-G1807 PolarHBondContact O-N 2.81Å; I1803-V1890 HydrophobicContact CG2-CG1 4Å; I1803-I1897 HydrophobicContact CD1-CD1 3.2Å; I1803-I1897 HydrophobicContact CD1-CG1 4.47Å
1804M83.4Confident80.3Confident6 Ų645.7 Ų45.73%0.0325%0.253CS..Hα-helixtrans-63.8-42.8174.9-71.4-176.4-67.400111.7C1800 F1801 G1807 Y1808 F1811 L1832 M1835 M1839 L1894C1800-M1804 WeakPolarHBondContact O-CG 3.48Å; C1800-M1804 PolarHBondContact O-N 2.86Å; F1801-M1804 PolarHBondContact O-N 2.98Å; M1804-G1807 PolarHBondContact O-N 3.26Å; M1804-Y1808 PolarHBondContact O-N 3.43Å; M1804-F1811 HydrophobicContact CG-CE2 4.48Å; M1804-F1811 HydrophobicContact CG-CZ 4.42Å; M1804-L1832 HydrophobicContact CB-CD1 4.42Å; M1804-L1832 WeakPolarHBondContact O-CD1 3.49Å; M1804-M1835 HydrophobicContact CG-CE 4.38Å; M1804-M1835 HydrophobicContact SD-CB 3.96Å; M1804-M1835 HydrophobicContact SD-CE 3.85Å; M1804-M1839 HydrophobicContact CE-CB 3.45Å; M1804-M1839 VanDerWaalsContact CE-CB 3.45Å; M1804-M1839 HydrophobicContact CE-CG 3.44Å; M1804-M1839 VanDerWaalsContact CE-CG 3.44Å; M1804-M1839 HydrophobicContact CE-SD 4.08Å; M1804-L1894 HydrophobicContact CG-CD1 3.44Å; M1804-L1894 VanDerWaalsContact CG-CD1 3.44Å; M1804-L1894 HydrophobicContact SD-CD1 3.85Å
1805T79.5Confident78.8Confident59 Ų5944 Ų4436%0.36226%0.255SS..Hα-helixtrans-66.9-46.1-178.6-530000112F1801 L1802F1801-T1805 WeakPolarHBondContact O-CB 3.36Å; F1801-T1805 PolarHBondContact O-N 2.8Å; F1801-T1805 PolarHBondContact O-OG1 3.22Å; L1802-T1805 PolarHBondContact O-N 3.19Å
1806F81.3Confident77.5Confident161 Ų16146.4 Ų46.471%0.70627%0.267SS*.Hα-helixtrans-74.8-28.5177.6-68.5-54000112.9L1802 Y1808L1802-F1806 HydrophobicContact CB-CD2 4.28Å; L1802-F1806 HydrophobicContact CB-CE2 4.22Å; L1802-F1806 HydrophobicContact CD2-CE2 4.09Å; L1802-F1806 WeakPolarHBondContact O-CB 3.34Å; L1802-F1806 WeakPolarHBondContact O-CD2 3.1Å; L1802-F1806 PolarHBondContact O-N 3.16Å; F1806-Y1808 VanDerWaalsContact C-N 3.34Å; F1806-Y1808 PolarHBondContact O-N 2.8Å
1807G74.8Confident76Confident7 Ų747.8 Ų47.87%0.07229%0.286CS..THydrogen-bonded Turntrans-90.719.8-178.800000115.2I1803 M1804 S1809 A1810 F1811I1803-G1807 WeakPolarHBondContact O-CA 3.46Å; I1803-G1807 PolarHBondContact O-N 2.81Å; M1804-G1807 PolarHBondContact O-N 3.26Å; G1807-S1809 PolarHBondContact O-N 3.33Å; G1807-S1809 VanDerWaalsContact O-N 3.12Å; G1807-A1810 WeakPolarHBondContact O-CB 3.42Å; G1807-A1810 PolarHBondContact O-N 2.74Å; G1807-F1811 VanDerWaalsContact O-CD2 3.31Å; G1807-F1811 WeakPolarHBondContact O-CD2 3.08Å
1808Y76Confident74.6Confident29 Ų2951.6 Ų51.611%0.11431%0.307CS..G310 helixtrans-54.7-34-172.280-81.5000114M1804 F1806 A1810 F1811 G1817 N1818 V1819 D1822M1804-Y1808 PolarHBondContact O-N 3.43Å; F1806-Y1808 VanDerWaalsContact C-N 3.34Å; F1806-Y1808 PolarHBondContact O-N 2.8Å; Y1808-A1810 VanDerWaalsContact C-N 3.25Å; Y1808-A1810 PolarHBondContact O-N 3.47Å; Y1808-F1811 PolarHBondContact O-N 2.77Å; Y1808-G1817 PolarHBondContact OH-O 2.88Å; Y1808-N1818 PolarHBondContact OH-O 3.37Å; Y1808-V1819 HydrophobicContact CD1-CG2 4.38Å; Y1808-V1819 HydrophobicContact CE1-CB 4.49Å; Y1808-V1819 HydrophobicContact CE1-CG2 3.46Å; Y1808-V1819 VanDerWaalsContact CE1-CG2 3.46Å; Y1808-V1819 WeakPolarHBondContact OH-CA 3.27Å; Y1808-V1819 PolarHBondContact OH-N 3.46Å; Y1808-D1822 HydrophobicContact CE2-CB 3.9Å; Y1808-D1822 WeakPolarHBondContact CE2-OD2 3.46Å; Y1808-D1822 PolarHBondContact OH-OD2 2.93Å
1809S73.6Confident73.5Confident37 Ų3753.3 Ų53.326%0.25932%0.317SS..G310 helixtrans-68.3-19.6179.663.20000114.1G1807G1807-S1809 PolarHBondContact O-N 3.33Å; G1807-S1809 VanDerWaalsContact O-N 3.12Å
1810A75.1Confident72.1Confident11 Ų1153.8 Ų53.89%0.09132%0.32CS..G310 helixtrans-86.2-13.8-177.100000113.9G1807 Y1808 N1888 V1890G1807-A1810 WeakPolarHBondContact O-CB 3.42Å; G1807-A1810 PolarHBondContact O-N 2.74Å; Y1808-A1810 VanDerWaalsContact C-N 3.25Å; Y1808-A1810 PolarHBondContact O-N 3.47Å; A1810-N1888 PolarHBondContact O-ND2 2.71Å; A1810-V1890 HydrophobicContact CB-CB 3.7Å; A1810-V1890 HydrophobicContact CB-CG1 4.33Å; A1810-V1890 HydrophobicContact CB-CG2 3.59Å
1811F76.2Confident70.8Confident2 Ų256.7 Ų56.71%0.00934%0.335CS..SBendtrans-96.9-11.6-178.4-62.3-73000113.4M1804 G1807 Y1808 T1831 L1832 M1835 L1877 V1890 L1894M1804-F1811 HydrophobicContact CG-CE2 4.48Å; M1804-F1811 HydrophobicContact CG-CZ 4.42Å; G1807-F1811 VanDerWaalsContact O-CD2 3.31Å; G1807-F1811 WeakPolarHBondContact O-CD2 3.08Å; Y1808-F1811 PolarHBondContact O-N 2.77Å; F1811-T1831 PolarHBondContact O-OG1 3.35Å; F1811-L1832 HydrophobicContact CB-CB 4.44Å; F1811-L1832 HydrophobicContact CD2-CD1 4.01Å; F1811-M1835 HydrophobicContact CD1-CE 4.29Å; F1811-M1835 HydrophobicContact CD1-SD 3.76Å; F1811-M1835 HydrophobicContact CE1-CE 3.7Å; F1811-M1835 HydrophobicContact CE1-SD 3.8Å; F1811-M1835 HydrophobicContact CG-SD 4.47Å; F1811-M1835 HydrophobicContact CZ-CE 4.1Å; F1811-L1877 HydrophobicContact CD1-CD1 4.06Å; F1811-L1877 HydrophobicContact CD1-CD2 4.45Å; F1811-V1890 HydrophobicContact CE2-CG1 3.69Å; F1811-V1890 HydrophobicContact CZ-CG1 3.71Å; F1811-L1894 HydrophobicContact CZ-CD1 4.06Å
1812G67.7Low69.6Low12 Ų1254.4 Ų54.412%0.12433%0.326CS..SBendtrans-112.2172.6179.300000114.4G1814G1812-G1814 PolarHBondContact O-N 3.46Å
1813E63.7Low68.6Low156 Ų15655.2 Ų55.273%0.72933%0.334SS*.SBendtrans-77.1105.2171.4-65.3-175.916400109.9
1814G57.8Low67.2Low49 Ų4958.1 Ų58.151%0.50535%0.345SS..  trans76.238159.900000118.5G1812G1812-G1814 PolarHBondContact O-N 3.46Å
1815G54.8Low66.3Low30 Ų3059.9 Ų59.931%0.30936%0.361SS..  trans-67.3138.8172.900000113.3G1817G1815-G1817 PolarHBondContact O-N 2.71Å
1816S57.5Low65.6Low79 Ų7962 Ų6255%0.55238%0.378SS*.  trans-72.7-8.3-177.567.30000113.8N1818S1816-N1818 PolarHBondContact O-N 3.23Å; S1816-N1818 WeakPolarHBondContact OG-CB 3.13Å; S1816-N1818 PolarHBondContact OG-N 2.7Å
1817G59.1Low64.7Low51 Ų5161.9 Ų61.953%0.52637%0.373SS..SBendtrans82.1-9.9-169.100000113.1Y1808 G1815Y1808-G1817 PolarHBondContact OH-O 2.88Å; G1815-G1817 PolarHBondContact O-N 2.71Å
1818N62.4Low64.3Low83 Ų8366.7 Ų66.744%0.44440%0.396SS..  trans-99.5106.9-178.2-157.49.5000110.9Y1808 S1816 L1820 D1821 D1822Y1808-N1818 PolarHBondContact OH-O 3.37Å; S1816-N1818 PolarHBondContact O-N 3.23Å; S1816-N1818 WeakPolarHBondContact OG-CB 3.13Å; S1816-N1818 PolarHBondContact OG-N 2.7Å; N1818-L1820 PolarHBondContact O-N 3.04Å; N1818-D1821 HydrophobicContact CB-CB 4.32Å; N1818-D1821 WeakPolarHBondContact CB-OD2 3.42Å; N1818-D1821 PolarHBondContact ND2-OD2 3.49Å; N1818-D1821 PolarHBondContact O-N 3.48Å; N1818-D1822 PolarHBondContact O-N 2.98Å
1819V61.9Low64.1Low86 Ų8666.3 Ų66.352%0.52140%0.397SS..Hα-helixtrans-53.9-34.7-176.31790000110.9Y1808 D1821 V1823Y1808-V1819 HydrophobicContact CD1-CG2 4.38Å; Y1808-V1819 HydrophobicContact CE1-CB 4.49Å; Y1808-V1819 HydrophobicContact CE1-CG2 3.46Å; Y1808-V1819 VanDerWaalsContact CE1-CG2 3.46Å; Y1808-V1819 WeakPolarHBondContact OH-CA 3.27Å; Y1808-V1819 PolarHBondContact OH-N 3.46Å; V1819-D1821 VanDerWaalsContact C-N 3.33Å; V1819-D1821 PolarHBondContact O-N 3.2Å; V1819-V1823 HydrophobicContact CG1-CG2 4.07Å; V1819-V1823 VanDerWaalsContact O-CB 3.26Å; V1819-V1823 WeakPolarHBondContact O-CB 3.49Å; V1819-V1823 WeakPolarHBondContact O-CG2 3.1Å; V1819-V1823 PolarHBondContact O-N 2.69Å
1820L58.1Low64.3Low92 Ų9269.8 Ų69.848%0.48242%0.416SS..Hα-helixtrans-65.9-35.4-179.5-146.483.6000112.5N1818 K1824N1818-L1820 PolarHBondContact O-N 3.04Å; L1820-K1824 WeakPolarHBondContact O-CB 2.92Å; L1820-K1824 WeakPolarHBondContact O-CD 3.29Å; L1820-K1824 WeakPolarHBondContact O-CG 3.37Å; L1820-K1824 PolarHBondContact O-N 2.87Å; L1820-K1824 VanDerWaalsContact O-N 3.13Å
1821D62.9Low64.5Low62 Ų6269.8 Ų69.833%0.33242%0.415SS..Hα-helixtrans-84.1-35-176.4-61.7-31.3000111.2N1818 V1819 K1824 A1825N1818-D1821 HydrophobicContact CB-CB 4.32Å; N1818-D1821 WeakPolarHBondContact CB-OD2 3.42Å; N1818-D1821 PolarHBondContact ND2-OD2 3.49Å; N1818-D1821 PolarHBondContact O-N 3.48Å; V1819-D1821 VanDerWaalsContact C-N 3.33Å; V1819-D1821 PolarHBondContact O-N 3.2Å; D1821-K1824 PolarHBondContact O-N 3.39Å; D1821-K1824 IonicContact OD1-NZ 2.74Å; D1821-K1824 PolarHBondContact OD1-NZ 3.31Å; D1821-A1825 WeakPolarHBondContact O-CB 3.11Å; D1821-A1825 PolarHBondContact O-N 2.79Å
1822D63.9Low64.7Low14 Ų1470.4 Ų70.48%0.07542%0.419CS..Hα-helixtrans-72.2-34.7174.4-70-18.7000111.9Y1808 N1818 A1825 S1826 R1827Y1808-D1822 HydrophobicContact CE2-CB 3.9Å; Y1808-D1822 WeakPolarHBondContact CE2-OD2 3.46Å; Y1808-D1822 PolarHBondContact OH-OD2 2.93Å; N1818-D1822 PolarHBondContact O-N 2.98Å; D1822-A1825 PolarHBondContact O-N 2.96Å; D1822-S1826 PolarHBondContact O-N 2.87Å; D1822-S1826 VanDerWaalsContact O-N 3.15Å; D1822-R1827 PolarHBondContact O-N 2.93Å
1823V63.1Low65.4Low96 Ų9673.2 Ų73.258%0.58243%0.433SS*.Hα-helixtrans-67.1-40.1170.71700000111.3V1819 A1825 S1826V1819-V1823 HydrophobicContact CG1-CG2 4.07Å; V1819-V1823 VanDerWaalsContact O-CB 3.26Å; V1819-V1823 WeakPolarHBondContact O-CB 3.49Å; V1819-V1823 WeakPolarHBondContact O-CG2 3.1Å; V1819-V1823 PolarHBondContact O-N 2.69Å; V1823-A1825 VanDerWaalsContact C-N 3.3Å; V1823-A1825 PolarHBondContact O-N 3.24Å; V1823-S1826 PolarHBondContact O-N 3.37Å
1824K59.2Low66.3Low98 Ų9869.3 Ų69.343%0.42642%0.42SS..Hα-helixtrans-61.6-40173.4-77.8170.2-154.4162.40111.6L1820 D1821 S1826 F2305L1820-K1824 WeakPolarHBondContact O-CB 2.92Å; L1820-K1824 WeakPolarHBondContact O-CD 3.29Å; L1820-K1824 WeakPolarHBondContact O-CG 3.37Å; L1820-K1824 PolarHBondContact O-N 2.87Å; L1820-K1824 VanDerWaalsContact O-N 3.13Å; D1821-K1824 PolarHBondContact O-N 3.39Å; D1821-K1824 IonicContact OD1-NZ 2.74Å; D1821-K1824 PolarHBondContact OD1-NZ 3.31Å; K1824-S1826 PolarHBondContact O-N 3.39Å; K1824-F2305 HydrophobicContact CD-CB 4.44Å
1825A63.7Low67.5Low43 Ų4368 Ų6836%0.35540%0.401SS..THydrogen-bonded Turntrans-78.3-1.9179.300000113.7D1821 D1822 V1823 R1827D1821-A1825 WeakPolarHBondContact O-CB 3.11Å; D1821-A1825 PolarHBondContact O-N 2.79Å; D1822-A1825 PolarHBondContact O-N 2.96Å; V1823-A1825 VanDerWaalsContact C-N 3.3Å; V1823-A1825 PolarHBondContact O-N 3.24Å; A1825-R1827 HydrophobicContact CB-CB 4.2Å; A1825-R1827 HydrophobicContact CB-CG 3.65Å; A1825-R1827 PolarHBondContact O-N 3.37Å; A1825-R1827 VanDerWaalsContact O-N 3.11Å
1826S64.5Low68.9Low105 Ų10569.2 Ų69.273%0.73440%0.4SS*.THydrogen-bonded Turntrans52.127.5-171.4-55.90000113.1D1822 V1823 K1824 I1828D1822-S1826 PolarHBondContact O-N 2.87Å; D1822-S1826 VanDerWaalsContact O-N 3.15Å; V1823-S1826 PolarHBondContact O-N 3.37Å; K1824-S1826 PolarHBondContact O-N 3.39Å; S1826-I1828 VanDerWaalsContact C-N 3.32Å; S1826-I1828 PolarHBondContact O-N 3.23Å
1827R63.6Low70.3Confident158 Ų15868.9 Ų68.960%0.59640%0.395SS*.  trans-91.558.7-175.4-71.8-179.3-173.2-178.12.4111.1D1822 A1825 P1829D1822-R1827 PolarHBondContact O-N 2.93Å; A1825-R1827 HydrophobicContact CB-CB 4.2Å; A1825-R1827 HydrophobicContact CB-CG 3.65Å; A1825-R1827 PolarHBondContact O-N 3.37Å; A1825-R1827 VanDerWaalsContact O-N 3.11Å; R1827-P1829 VanDerWaalsContact O-CD 3.3Å; R1827-P1829 WeakPolarHBondContact O-CD 3.01Å
1828I66.2Low71.6Confident108 Ų10868.3 Ų68.355%0.55439%0.388SS*.  trans-79.3116.6168.5-55.9177.1000107.1S1826 V1830 L1832 V1833S1826-I1828 VanDerWaalsContact C-N 3.32Å; S1826-I1828 PolarHBondContact O-N 3.23Å; I1828-V1830 PolarHBondContact O-N 3.23Å; I1828-L1832 HydrophobicContact CG2-CD2 4.36Å; I1828-V1833 HydrophobicContact CG2-CG2 3.54Å
1829P71.6Confident72.9Confident20 Ų2065 Ų6513%0.1337%0.37CS..  trans-59128.6-178.9-23.334.4000110.8R1827 T1831 L1832 V1833R1827-P1829 VanDerWaalsContact O-CD 3.3Å; R1827-P1829 WeakPolarHBondContact O-CD 3.01Å; P1829-T1831 WeakPolarHBondContact CB-OG1 3.44Å; P1829-T1831 PolarHBondContact O-N 2.72Å; P1829-L1832 HydrophobicContact CB-CB 4.06Å; P1829-L1832 HydrophobicContact CG-CB 4.45Å; P1829-L1832 WeakPolarHBondContact O-CB 3.28Å; P1829-L1832 PolarHBondContact O-N 2.8Å; P1829-V1833 PolarHBondContact O-N 2.79Å
1830V77.6Confident74.1Confident110 Ų11063.3 Ų63.367%0.66736%0.36SS*.Hα-helixtrans-58.3-37.6178179.20000110.6I1828 L1832 V1833 V1834I1828-V1830 PolarHBondContact O-N 3.23Å; V1830-L1832 VanDerWaalsContact C-N 3.31Å; V1830-L1832 PolarHBondContact O-N 3.42Å; V1830-V1833 PolarHBondContact O-N 3.11Å; V1830-V1834 HydrophobicContact CG1-CG2 4.31Å; V1830-V1834 WeakPolarHBondContact O-CG2 3.47Å; V1830-V1834 PolarHBondContact O-N 2.86Å
1831T79.5Confident75.5Confident11 Ų1163.3 Ų63.37%0.06736%0.36CS..Hα-helixtrans-54.4-43.6172.948.50000112.3F1811 P1829 M1835 M1880F1811-T1831 PolarHBondContact O-OG1 3.35Å; P1829-T1831 WeakPolarHBondContact CB-OG1 3.44Å; P1829-T1831 PolarHBondContact O-N 2.72Å; T1831-M1835 WeakPolarHBondContact O-CB 3.27Å; T1831-M1835 WeakPolarHBondContact O-CG 3.36Å; T1831-M1835 PolarHBondContact O-N 2.87Å; T1831-M1880 HydrophobicContact CG2-CB 4.46Å; T1831-M1880 HydrophobicContact CG2-CE 3.64Å; T1831-M1880 HydrophobicContact CG2-SD 3.83Å
1832L80.9Confident76.7Confident16 Ų1660.7 Ų60.78%0.08435%0.347CS..Hα-helixtrans-66.7-45177.2177.673.1000111.9M1804 F1811 I1828 P1829 V1830 V1834 M1835 L1836M1804-L1832 HydrophobicContact CB-CD1 4.42Å; M1804-L1832 WeakPolarHBondContact O-CD1 3.49Å; F1811-L1832 HydrophobicContact CB-CB 4.44Å; F1811-L1832 HydrophobicContact CD2-CD1 4.01Å; I1828-L1832 HydrophobicContact CG2-CD2 4.36Å; P1829-L1832 HydrophobicContact CB-CB 4.06Å; P1829-L1832 HydrophobicContact CG-CB 4.45Å; P1829-L1832 WeakPolarHBondContact O-CB 3.28Å; P1829-L1832 PolarHBondContact O-N 2.8Å; V1830-L1832 VanDerWaalsContact C-N 3.31Å; V1830-L1832 PolarHBondContact O-N 3.42Å; L1832-V1834 PolarHBondContact O-N 2.81Å; L1832-M1835 PolarHBondContact O-N 2.59Å; L1832-L1836 WeakPolarHBondContact O-CB 3.36Å; L1832-L1836 PolarHBondContact O-N 2.82Å
1833V81.5Confident77.9Confident70 Ų7061.3 Ų61.342%0.42435%0.35SS..Hα-helixtrans-61.9-45.9-179.8179.50000110.4I1828 P1829 V1830 M1835 L1836 V1837I1828-V1833 HydrophobicContact CG2-CG2 3.54Å; P1829-V1833 PolarHBondContact O-N 2.79Å; V1830-V1833 PolarHBondContact O-N 3.11Å; V1833-M1835 VanDerWaalsContact C-N 3.31Å; V1833-M1835 PolarHBondContact O-N 2.79Å; V1833-L1836 PolarHBondContact O-N 3.17Å; V1833-V1837 HydrophobicContact CG1-CG2 4.39Å; V1833-V1837 WeakPolarHBondContact O-CB 3.37Å; V1833-V1837 WeakPolarHBondContact O-CG2 3.43Å; V1833-V1837 PolarHBondContact O-N 3.39Å
1834V83.4Confident79.2Confident74 Ų7459 Ų5945%0.44833%0.334SS..Hα-helixtrans-60.8-41.9176.3173.60000110.9V1830 L1832 G1838 W1872V1830-V1834 HydrophobicContact CG1-CG2 4.31Å; V1830-V1834 WeakPolarHBondContact O-CG2 3.47Å; V1830-V1834 PolarHBondContact O-N 2.86Å; L1832-V1834 PolarHBondContact O-N 2.81Å; V1834-G1838 WeakPolarHBondContact O-CA 3.49Å; V1834-G1838 PolarHBondContact O-N 2.85Å; V1834-W1872 HydrophobicContact CG1-CH2 3.97Å; V1834-W1872 HydrophobicContact CG1-CZ2 4.34Å
1835M82.7Confident80.7Confident22 Ų2258.3 Ų58.311%0.10833%0.334CS..Hα-helixtrans-67.7-40.5177.3-74.5-179.869.600113M1804 F1811 T1831 L1832 V1833 G1838 M1839 W1872 L1894M1804-M1835 HydrophobicContact CG-CE 4.38Å; M1804-M1835 HydrophobicContact SD-CB 3.96Å; M1804-M1835 HydrophobicContact SD-CE 3.85Å; F1811-M1835 HydrophobicContact CD1-CE 4.29Å; F1811-M1835 HydrophobicContact CD1-SD 3.76Å; F1811-M1835 HydrophobicContact CE1-CE 3.7Å; F1811-M1835 HydrophobicContact CE1-SD 3.8Å; F1811-M1835 HydrophobicContact CG-SD 4.47Å; F1811-M1835 HydrophobicContact CZ-CE 4.1Å; T1831-M1835 WeakPolarHBondContact O-CB 3.27Å; T1831-M1835 WeakPolarHBondContact O-CG 3.36Å; T1831-M1835 PolarHBondContact O-N 2.87Å; L1832-M1835 PolarHBondContact O-N 2.59Å; V1833-M1835 VanDerWaalsContact C-N 3.31Å; V1833-M1835 PolarHBondContact O-N 2.79Å; M1835-G1838 PolarHBondContact O-N 3.06Å; M1835-M1839 VanDerWaalsContact O-CB 3.3Å; M1835-M1839 WeakPolarHBondContact O-CB 3.09Å; M1835-M1839 PolarHBondContact O-N 3.08Å; M1835-W1872 HydrophobicContact CG-CZ2 4.26Å; M1835-W1872 PolarHBondContact SD-NE1 2.83Å; M1835-L1894 HydrophobicContact CE-CD1 3.57Å
1836L84.7Confident81.9Confident56 Ų5656.3 Ų56.329%0.29332%0.318SS..Hα-helixtrans-68.9-45.8-179.2-164.2156.4000110.9F1801 L1832 V1833 M1839 T1840F1801-L1836 HydrophobicContact CE2-CD1 4.35Å; F1801-L1836 HydrophobicContact CE2-CD2 3.76Å; F1801-L1836 HydrophobicContact CE2-CG 3.78Å; F1801-L1836 HydrophobicContact CZ-CD1 4.39Å; F1801-L1836 HydrophobicContact CZ-CD2 4.19Å; F1801-L1836 HydrophobicContact CZ-CG 4.28Å; L1832-L1836 WeakPolarHBondContact O-CB 3.36Å; L1832-L1836 PolarHBondContact O-N 2.82Å; V1833-L1836 PolarHBondContact O-N 3.17Å; L1836-M1839 PolarHBondContact O-N 3.45Å; L1836-T1840 HydrophobicContact CD2-CG2 4.12Å; L1836-T1840 WeakPolarHBondContact O-CG2 3.29Å; L1836-T1840 PolarHBondContact O-N 3.09Å; L1836-T1840 PolarHBondContact O-OG1 2.86Å
1837V86.5Confident83.1Confident72 Ų7253.4 Ų53.444%0.43629%0.29SS..Hα-helixtrans-63.9-42.6173.8174.90000110.9V1833 M1839 T1840 L1841V1833-V1837 HydrophobicContact CG1-CG2 4.39Å; V1833-V1837 WeakPolarHBondContact O-CB 3.37Å; V1833-V1837 WeakPolarHBondContact O-CG2 3.43Å; V1833-V1837 PolarHBondContact O-N 3.39Å; V1837-M1839 VanDerWaalsContact C-N 3.29Å; V1837-M1839 PolarHBondContact O-N 2.91Å; V1837-T1840 PolarHBondContact O-N 2.81Å; V1837-T1840 PolarHBondContact O-OG1 2.82Å; V1837-L1841 HydrophobicContact CG1-CD1 4.02Å; V1837-L1841 WeakPolarHBondContact O-CB 3.42Å; V1837-L1841 VanDerWaalsContact O-CG 3.3Å; V1837-L1841 WeakPolarHBondContact O-CG 3.22Å; V1837-L1841 PolarHBondContact O-N 2.79Å
1838G86.9Confident84.2Confident38 Ų3846.6 Ų46.639%0.39227%0.268SS..Hα-helixtrans-59.6-40.3175.100000112.2V1834 M1835 A1842V1834-G1838 WeakPolarHBondContact O-CA 3.49Å; V1834-G1838 PolarHBondContact O-N 2.85Å; M1835-G1838 PolarHBondContact O-N 3.06Å; G1838-A1842 VanDerWaalsContact O-CB 3.23Å; G1838-A1842 WeakPolarHBondContact O-CB 3.26Å; G1838-A1842 PolarHBondContact O-N 3.05Å
1839M88.1Confident85.3Confident14 Ų1442.8 Ų42.87%0.06925%0.248CC..Hα-helixtrans-72-42.3178.8-16871.5-166.300112.9D1797 C1800 M1804 M1835 L1836 V1837 L1841 A1842 I1843D1797-M1839 HydrophobicContact CB-CE 3.43Å; D1797-M1839 VanDerWaalsContact CB-CE 3.43Å; D1797-M1839 WeakPolarHBondContact OD1-CE 3.41Å; C1800-M1839 HydrophobicContact CB-CE 4Å; M1804-M1839 HydrophobicContact CE-CB 3.45Å; M1804-M1839 VanDerWaalsContact CE-CB 3.45Å; M1804-M1839 HydrophobicContact CE-CG 3.44Å; M1804-M1839 VanDerWaalsContact CE-CG 3.44Å; M1804-M1839 HydrophobicContact CE-SD 4.08Å; M1835-M1839 VanDerWaalsContact O-CB 3.3Å; M1835-M1839 WeakPolarHBondContact O-CB 3.09Å; M1835-M1839 PolarHBondContact O-N 3.08Å; L1836-M1839 PolarHBondContact O-N 3.45Å; V1837-M1839 VanDerWaalsContact C-N 3.29Å; V1837-M1839 PolarHBondContact O-N 2.91Å; M1839-L1841 VanDerWaalsContact C-N 3.33Å; M1839-L1841 PolarHBondContact O-N 2.88Å; M1839-A1842 WeakPolarHBondContact O-CB 3.29Å; M1839-A1842 PolarHBondContact O-N 2.87Å; M1839-I1843 HydrophobicContact CE-CD1 4.18Å; M1839-I1843 HydrophobicContact CE-CG1 4.1Å; M1839-I1843 HydrophobicContact CG-CD1 4.17Å; M1839-I1843 VanDerWaalsContact O-CG1 3.32Å; M1839-I1843 WeakPolarHBondContact O-CG1 3.39Å; M1839-I1843 PolarHBondContact O-N 2.9Å
1840T87Confident86Confident51 Ų5142.3 Ų42.331%0.31324%0.244SC..Hα-helixtrans-63.2-42.1177.153.70000111F1801 L1836 V1837 I1843 I1844F1801-T1840 HydrophobicContact CD2-CG2 4.39Å; F1801-T1840 HydrophobicContact CE2-CG2 3.8Å; L1836-T1840 HydrophobicContact CD2-CG2 4.12Å; L1836-T1840 WeakPolarHBondContact O-CG2 3.29Å; L1836-T1840 PolarHBondContact O-N 3.09Å; L1836-T1840 PolarHBondContact O-OG1 2.86Å; V1837-T1840 PolarHBondContact O-N 2.81Å; V1837-T1840 PolarHBondContact O-OG1 2.82Å; T1840-I1843 PolarHBondContact O-N 2.96Å; T1840-I1844 VanDerWaalsContact O-CG1 3.28Å; T1840-I1844 WeakPolarHBondContact O-CG1 3.35Å; T1840-I1844 PolarHBondContact O-N 3.38Å
1841L88.2Confident86.3Confident92 Ų9238.8 Ų38.848%0.48222%0.221SC..Hα-helixtrans-62-43.1171.9-71173.2000111.7V1837 M1839 I1843 I1844 I1845V1837-L1841 HydrophobicContact CG1-CD1 4.02Å; V1837-L1841 WeakPolarHBondContact O-CB 3.42Å; V1837-L1841 VanDerWaalsContact O-CG 3.3Å; V1837-L1841 WeakPolarHBondContact O-CG 3.22Å; V1837-L1841 PolarHBondContact O-N 2.79Å; M1839-L1841 VanDerWaalsContact C-N 3.33Å; M1839-L1841 PolarHBondContact O-N 2.88Å; L1841-I1843 VanDerWaalsContact C-N 3.31Å; L1841-I1843 PolarHBondContact O-N 3.05Å; L1841-I1844 PolarHBondContact O-N 3.48Å; L1841-I1845 WeakPolarHBondContact O-CB 3.46Å; L1841-I1845 VanDerWaalsContact O-CG1 3.26Å; L1841-I1845 WeakPolarHBondContact O-CG1 3.48Å; L1841-I1845 PolarHBondContact O-N 2.96Å
1842A89Confident86.6Confident6 Ų646.2 Ų46.25%0.0525%0.248CC..Hα-helixtrans-60.8-38.1177.300000112.5G1838 M1839 D1846 Y1861 M1865G1838-A1842 VanDerWaalsContact O-CB 3.23Å; G1838-A1842 WeakPolarHBondContact O-CB 3.26Å; G1838-A1842 PolarHBondContact O-N 3.05Å; M1839-A1842 WeakPolarHBondContact O-CB 3.29Å; M1839-A1842 PolarHBondContact O-N 2.87Å; A1842-D1846 WeakPolarHBondContact O-CB 3.12Å; A1842-D1846 PolarHBondContact O-N 3.13Å; A1842-Y1861 PolarHBondContact O-OH 2.94Å; A1842-M1865 HydrophobicContact CB-CE 4.33Å
1843I89.2Confident86.7Confident27 Ų2749.3 Ų49.314%0.13826%0.261CS..Hα-helixtrans-68-43.1175.7-68.9166.2000111F1794 D1797 M1839 T1840 L1841 D1846 R1847F1794-I1843 HydrophobicContact CD2-CG2 4.16Å; F1794-I1843 HydrophobicContact CE2-CG2 3.93Å; D1797-I1843 HydrophobicContact CB-CD1 4.23Å; D1797-I1843 HydrophobicContact CB-CG1 3.98Å; M1839-I1843 HydrophobicContact CE-CD1 4.18Å; M1839-I1843 HydrophobicContact CE-CG1 4.1Å; M1839-I1843 HydrophobicContact CG-CD1 4.17Å; M1839-I1843 VanDerWaalsContact O-CG1 3.32Å; M1839-I1843 WeakPolarHBondContact O-CG1 3.39Å; M1839-I1843 PolarHBondContact O-N 2.9Å; T1840-I1843 PolarHBondContact O-N 2.96Å; L1841-I1843 VanDerWaalsContact C-N 3.31Å; L1841-I1843 PolarHBondContact O-N 3.05Å; I1843-D1846 PolarHBondContact O-N 2.86Å; I1843-R1847 WeakPolarHBondContact O-CB 3.37Å; I1843-R1847 PolarHBondContact O-N 3.28Å
1844I89.4Confident87Confident48 Ų4848.1 Ų48.125%0.24626%0.256CS..Hα-helixtrans-63.3-46.1177.3-67165000110.4T1840 L1841 D1846 R1847 A1848 I1950 W1954T1840-I1844 VanDerWaalsContact O-CG1 3.28Å; T1840-I1844 WeakPolarHBondContact O-CG1 3.35Å; T1840-I1844 PolarHBondContact O-N 3.38Å; L1841-I1844 PolarHBondContact O-N 3.48Å; I1844-D1846 VanDerWaalsContact C-N 3.34Å; I1844-D1846 PolarHBondContact O-N 3.39Å; I1844-R1847 PolarHBondContact O-N 3.21Å; I1844-A1848 WeakPolarHBondContact O-CB 3.47Å; I1844-A1848 PolarHBondContact O-N 3.44Å; I1844-I1950 HydrophobicContact CG1-CD1 4.13Å; I1844-W1954 HydrophobicContact CG2-CH2 3.63Å; I1844-W1954 HydrophobicContact CG2-CZ2 4.28Å; I1844-W1954 HydrophobicContact CG2-CZ3 4.31Å
1845I90Very high87Confident83 Ų8346.1 Ų46.143%0.42624%0.244SC..Hα-helixtrans-62.6-41.8177.3-67.8166.6000110.6L1841 A1848 L1849 Y1861L1841-I1845 WeakPolarHBondContact O-CB 3.46Å; L1841-I1845 VanDerWaalsContact O-CG1 3.26Å; L1841-I1845 WeakPolarHBondContact O-CG1 3.48Å; L1841-I1845 PolarHBondContact O-N 2.96Å; I1845-A1848 PolarHBondContact O-N 3.24Å; I1845-L1849 HydrophobicContact CG2-CD1 4.04Å; I1845-L1849 HydrophobicContact CG2-CG 4.36Å; I1845-L1849 WeakPolarHBondContact O-CB 3.22Å; I1845-L1849 VanDerWaalsContact O-CG 3.32Å; I1845-L1849 WeakPolarHBondContact O-CG 3.3Å; I1845-L1849 PolarHBondContact O-N 2.86Å; I1845-Y1861 HydrophobicContact CB-CE2 4.45Å; I1845-Y1861 HydrophobicContact CG2-CD2 3.88Å; I1845-Y1861 HydrophobicContact CG2-CE2 4Å
1846D90.1Very high87.2Confident2 Ų248.9 Ų48.91%0.01126%0.262CS..Hα-helixtrans-63.6-44.8177.4-165.310.5000111.9A1842 I1843 I1844 A1848 L1849 Y1850 K1858 Y1901A1842-D1846 WeakPolarHBondContact O-CB 3.12Å; A1842-D1846 PolarHBondContact O-N 3.13Å; I1843-D1846 PolarHBondContact O-N 2.86Å; I1844-D1846 VanDerWaalsContact C-N 3.34Å; I1844-D1846 PolarHBondContact O-N 3.39Å; D1846-A1848 VanDerWaalsContact C-N 3.32Å; D1846-A1848 PolarHBondContact O-N 2.9Å; D1846-L1849 PolarHBondContact O-N 3.26Å; D1846-Y1850 WeakPolarHBondContact O-CB 3.49Å; D1846-Y1850 PolarHBondContact O-N 2.99Å; D1846-K1858 IonicContact OD1-NZ 2.68Å; D1846-K1858 PolarHBondContact OD1-NZ 3.37Å; D1846-K1858 IonicContact OD2-NZ 3.99Å; D1846-K1858 PolarHBondContact OD2-NZ 2.97Å; D1846-Y1901 VanDerWaalsContact CG-OH 3.31Å; D1846-Y1901 PolarHBondContact OD2-OH 2.86Å
1847R88.6Confident87.4Confident44 Ų4447.1 Ų47.117%0.16626%0.257CS..Hα-helixtrans-61.4-40.5175.1-173.755.3174.4-170.7-2.4111.8Y1790 I1843 I1844 Y1850 L1851 I1950 D1951Y1790-R1847 VanDerWaalsContact CE1-NH1 3.28Å; Y1790-R1847 WeakPolarHBondContact OH-CA 3.33Å; Y1790-R1847 VanDerWaalsContact OH-CB 3.26Å; Y1790-R1847 WeakPolarHBondContact OH-CB 3.47Å; Y1790-R1847 WeakPolarHBondContact OH-CD 3.31Å; I1843-R1847 WeakPolarHBondContact O-CB 3.37Å; I1843-R1847 PolarHBondContact O-N 3.28Å; I1844-R1847 PolarHBondContact O-N 3.21Å; R1847-Y1850 PolarHBondContact O-N 3.25Å; R1847-L1851 HydrophobicContact CG-CD1 4.17Å; R1847-L1851 WeakPolarHBondContact O-CG 3.5Å; R1847-L1851 PolarHBondContact O-N 2.77Å; R1847-I1950 HydrophobicContact CB-CG2 4.24Å; R1847-I1950 HydrophobicContact CG-CG2 3.48Å; R1847-I1950 VanDerWaalsContact CG-CG2 3.48Å; R1847-D1951 IonicContact CZ-OD1 3.6Å; R1847-D1951 IonicContact NE-OD1 3.97Å; R1847-D1951 PolarHBondContact NE-OD1 3.1Å; R1847-D1951 IonicContact NH2-OD1 3.97Å; R1847-D1951 PolarHBondContact NH2-OD1 2.92Å; R1847-D1951 IonicContact NH2-OD2 3.73Å; R1847-D1951 PolarHBondContact NH2-OD2 2.97Å; R1847-D1951 VanDerWaalsContact NH2-OD2 3.14Å
1848A87.5Confident87.5Confident14 Ų1443.7 Ų43.712%0.11624%0.236CC..Hα-helixtrans-63.7-44.517600000112.3I1844 I1845 D1846 Y1850 L1851 R1852 W1954I1844-A1848 WeakPolarHBondContact O-CB 3.47Å; I1844-A1848 PolarHBondContact O-N 3.44Å; I1845-A1848 PolarHBondContact O-N 3.24Å; D1846-A1848 VanDerWaalsContact C-N 3.32Å; D1846-A1848 PolarHBondContact O-N 2.9Å; A1848-Y1850 VanDerWaalsContact C-N 3.34Å; A1848-Y1850 PolarHBondContact O-N 3.31Å; A1848-L1851 PolarHBondContact O-N 3.04Å; A1848-R1852 WeakPolarHBondContact O-CB 3.26Å; A1848-R1852 WeakPolarHBondContact O-CG 3.45Å; A1848-R1852 PolarHBondContact O-N 3.18Å; A1848-W1954 HydrophobicContact CB-CD2 3.85Å; A1848-W1954 HydrophobicContact CB-CE3 4.48Å; A1848-W1954 HydrophobicContact CB-CG 4.15Å; A1848-W1954 HydrophobicContact CB-CZ2 3.98Å
1849L88.9Confident87.6Confident29 Ų2943.1 Ų43.115%0.15222%0.224CC..Hα-helixtrans-64.2-38176.6-72.7173.9000112.2I1845 D1846 K1853 S1854 K1858 Y1861I1845-L1849 HydrophobicContact CG2-CD1 4.04Å; I1845-L1849 HydrophobicContact CG2-CG 4.36Å; I1845-L1849 WeakPolarHBondContact O-CB 3.22Å; I1845-L1849 VanDerWaalsContact O-CG 3.32Å; I1845-L1849 WeakPolarHBondContact O-CG 3.3Å; I1845-L1849 PolarHBondContact O-N 2.86Å; D1846-L1849 PolarHBondContact O-N 3.26Å; L1849-K1853 PolarHBondContact O-N 2.93Å; L1849-S1854 PolarHBondContact O-N 3.47Å; L1849-K1858 HydrophobicContact CD1-CD 4.45Å; L1849-Y1861 HydrophobicContact CD1-CD2 4.31Å; L1849-Y1861 HydrophobicContact CD1-CG 4.05Å
1850Y87.3Confident87.7Confident9 Ų947.1 Ų47.14%0.03525%0.245CC..Hα-helixtrans-64-50.9174.1171.4-103.2000112.2D1788 Y1790 D1846 R1847 A1848 R1852 K1853 Y1913 C1917D1788-Y1850 PolarHBondContact OD2-OH 2.94Å; Y1790-Y1850 VanDerWaalsContact CB-CD2 3.46Å; Y1790-Y1850 AromaticContact CD1-CD1 3.94Å; Y1790-Y1850 HydrophobicContact CD1-CD1 3.94Å; Y1790-Y1850 HydrophobicContact CD1-CD2 4.27Å; Y1790-Y1850 HydrophobicContact CD1-CE1 4.01Å; Y1790-Y1850 HydrophobicContact CD1-CE2 4.33Å; Y1790-Y1850 HydrophobicContact CD1-CG 4.07Å; Y1790-Y1850 HydrophobicContact CD2-CD1 4.12Å; Y1790-Y1850 AromaticContact CD2-CD2 3.61Å; Y1790-Y1850 HydrophobicContact CD2-CD2 3.61Å; Y1790-Y1850 HydrophobicContact CD2-CE2 4.36Å; Y1790-Y1850 AromaticContact CD2-CG 3.46Å; Y1790-Y1850 HydrophobicContact CD2-CG 3.46Å; Y1790-Y1850 VanDerWaalsContact CD2-CG 3.46Å; Y1790-Y1850 HydrophobicContact CE1-CD1 4.19Å; Y1790-Y1850 HydrophobicContact CE1-CG 4.48Å; Y1790-Y1850 HydrophobicContact CE2-CD1 4.33Å; Y1790-Y1850 HydrophobicContact CE2-CD2 4.48Å; Y1790-Y1850 AromaticContact CE2-CG 3.89Å; Y1790-Y1850 HydrophobicContact CE2-CG 3.89Å; Y1790-Y1850 AromaticContact CG-CD1 3.93Å; Y1790-Y1850 HydrophobicContact CG-CD1 3.93Å; Y1790-Y1850 AromaticContact CG-CD2 3.49Å; Y1790-Y1850 HydrophobicContact CG-CD2 3.49Å; Y1790-Y1850 VanDerWaalsContact CG-CD2 3.49Å; Y1790-Y1850 HydrophobicContact CG-CE1 4.19Å; Y1790-Y1850 AromaticContact CG-CE2 3.77Å; Y1790-Y1850 HydrophobicContact CG-CE2 3.77Å; Y1790-Y1850 AromaticContact CG-CG 3.57Å; Y1790-Y1850 HydrophobicContact CG-CG 3.57Å; D1846-Y1850 WeakPolarHBondContact O-CB 3.49Å; D1846-Y1850 PolarHBondContact O-N 2.99Å; R1847-Y1850 PolarHBondContact O-N 3.25Å; A1848-Y1850 VanDerWaalsContact C-N 3.34Å; A1848-Y1850 PolarHBondContact O-N 3.31Å; Y1850-R1852 VanDerWaalsContact C-N 3.3Å; Y1850-R1852 PolarHBondContact O-N 2.98Å; Y1850-K1853 PolarHBondContact O-N 2.66Å; Y1850-Y1913 AromaticContact CD2-CD1 3.96Å; Y1850-Y1913 HydrophobicContact CD2-CD1 3.96Å; Y1850-Y1913 AromaticContact CD2-CE1 3.73Å; Y1850-Y1913 HydrophobicContact CD2-CE1 3.73Å; Y1850-Y1913 HydrophobicContact CE2-CD1 4.33Å; Y1850-Y1913 HydrophobicContact CE2-CE1 4.47Å; Y1850-C1917 HydrophobicContact CE1-CB 4.48Å
1851L82.9Confident87.9Confident37 Ų3745.6 Ų45.619%0.19423%0.233CC..Hα-helixtrans-63.8-35179.3-70.2172.9000112.1R1847 A1848 K1853 I1950 W1954R1847-L1851 HydrophobicContact CG-CD1 4.17Å; R1847-L1851 WeakPolarHBondContact O-CG 3.5Å; R1847-L1851 PolarHBondContact O-N 2.77Å; A1848-L1851 PolarHBondContact O-N 3.04Å; L1851-K1853 VanDerWaalsContact C-N 3.3Å; L1851-I1950 HydrophobicContact CD1-CG2 4.43Å; L1851-W1954 HydrophobicContact CB-CB 4.08Å; L1851-W1954 HydrophobicContact CD1-CB 3.76Å
1852R85.2Confident88Confident166 Ų16641.4 Ų41.463%0.62621%0.211SC*.THydrogen-bonded Turntrans-76.9-10.6172.9-73-68.2-156.7-172.71.2114.2A1848 Y1850 S1854A1848-R1852 WeakPolarHBondContact O-CB 3.26Å; A1848-R1852 WeakPolarHBondContact O-CG 3.45Å; A1848-R1852 PolarHBondContact O-N 3.18Å; Y1850-R1852 VanDerWaalsContact C-N 3.3Å; Y1850-R1852 PolarHBondContact O-N 2.98Å; R1852-S1854 VanDerWaalsContact C-N 3.26Å; R1852-S1854 PolarHBondContact O-N 3.01Å
1853K84.4Confident88Confident81 Ų8144.2 Ų44.235%0.35223%0.228SC..THydrogen-bonded Turntrans57.231.4-178.9-55.8171.5-176.6168.30114.1L1849 Y1850 L1851 V1855 E1915 C1917L1849-K1853 PolarHBondContact O-N 2.93Å; Y1850-K1853 PolarHBondContact O-N 2.66Å; L1851-K1853 VanDerWaalsContact C-N 3.3Å; K1853-V1855 PolarHBondContact O-N 3.37Å; K1853-E1915 PolarHBondContact NZ-O 3.43Å; K1853-C1917 VanDerWaalsContact CE-SG 3.53Å
1854S86.8Confident88Confident45 Ų4548.4 Ų48.432%0.31525%0.25SC..  trans-90.2102.1-175-177.80000112.9L1849 R1852 G1857 K1858L1849-S1854 PolarHBondContact O-N 3.47Å; R1852-S1854 VanDerWaalsContact C-N 3.26Å; R1852-S1854 PolarHBondContact O-N 3.01Å; S1854-G1857 PolarHBondContact OG-N 3.08Å; S1854-G1857 VanDerWaalsContact OG-N 3.17Å; S1854-K1858 WeakPolarHBondContact O-CB 3.47Å; S1854-K1858 PolarHBondContact O-N 3.06Å; S1854-K1858 VanDerWaalsContact O-N 3.11Å
1855V84.3Confident88Confident32 Ų3247.8 Ų47.819%0.19425%0.246CC..Hα-helixtrans-69-37.4177-176.10000111.8F1779 K1853 K1858 L1859 I1909 Y1913F1779-V1855 HydrophobicContact CD1-CG1 4.45Å; F1779-V1855 HydrophobicContact CE1-CG1 4.31Å; K1853-V1855 PolarHBondContact O-N 3.37Å; V1855-K1858 WeakPolarHBondContact O-CB 3.47Å; V1855-K1858 PolarHBondContact O-N 2.92Å; V1855-L1859 PolarHBondContact O-N 3.3Å; V1855-I1909 HydrophobicContact CG1-CG2 4.12Å; V1855-Y1913 HydrophobicContact CG2-CD2 3.87Å; V1855-Y1913 HydrophobicContact CG2-CE2 4.29Å
1856V86.8Confident88Confident81 Ų8143.9 Ų43.949%0.49123%0.226SC..Hα-helixtrans-64-47.6177.2179.20000110.6F1779 K1858 L1859 I1860F1779-V1856 HydrophobicContact CE1-CG2 4.04Å; F1779-V1856 HydrophobicContact CZ-CG2 4.06Å; V1856-K1858 PolarHBondContact O-N 3.36Å; V1856-L1859 PolarHBondContact O-N 3.38Å; V1856-I1860 HydrophobicContact CG1-CD1 4.12Å; V1856-I1860 WeakPolarHBondContact O-CG1 3.08Å; V1856-I1860 PolarHBondContact O-N 3.11Å; V1856-I1860 VanDerWaalsContact O-N 3.09Å
1857G88Confident87.9Confident19 Ų1946 Ų4620%0.19624%0.244CC..Hα-helixtrans-59.3-36.7175.500000111.7S1854 Y1861S1854-G1857 PolarHBondContact OG-N 3.08Å; S1854-G1857 VanDerWaalsContact OG-N 3.17Å; G1857-Y1861 VanDerWaalsContact O-CB 3.26Å; G1857-Y1861 WeakPolarHBondContact O-CB 3.49Å; G1857-Y1861 PolarHBondContact O-N 2.98Å
1858K89.8Confident87.9Confident0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-68.6-39.5177-168.966.7-172.8177.20113.6M1793 D1846 L1849 S1854 V1855 V1856 Y1861 Q1862 Y1901 S1905 I1909M1793-K1858 VanDerWaalsContact CE-CE 3.46Å; D1846-K1858 IonicContact OD1-NZ 2.68Å; D1846-K1858 PolarHBondContact OD1-NZ 3.37Å; D1846-K1858 IonicContact OD2-NZ 3.99Å; D1846-K1858 PolarHBondContact OD2-NZ 2.97Å; L1849-K1858 HydrophobicContact CD1-CD 4.45Å; S1854-K1858 WeakPolarHBondContact O-CB 3.47Å; S1854-K1858 PolarHBondContact O-N 3.06Å; S1854-K1858 VanDerWaalsContact O-N 3.11Å; V1855-K1858 WeakPolarHBondContact O-CB 3.47Å; V1855-K1858 PolarHBondContact O-N 2.92Å; V1856-K1858 PolarHBondContact O-N 3.36Å; K1858-Y1861 HydrophobicContact CD-CD1 4.33Å; K1858-Y1861 PolarHBondContact O-N 2.99Å; K1858-Q1862 WeakPolarHBondContact O-CB 3.49Å; K1858-Q1862 PolarHBondContact O-N 2.93Å; K1858-Y1901 PolarHBondContact NZ-OH 3.25Å; K1858-S1905 WeakPolarHBondContact CE-OG 3.22Å; K1858-I1909 HydrophobicContact CB-CG1 4.36Å; K1858-I1909 HydrophobicContact CG-CD1 4.05Å; K1858-I1909 HydrophobicContact CG-CG1 3.84Å
1859L88.7Confident87.9Confident26 Ų2649 Ų4914%0.13626%0.256CS..Hα-helixtrans-64.3-46175.4-178.466.9000111.6L1605 L1778 F1779 V1855 V1856 Y1861 Q1862 V1863 I1909L1605-L1859 HydrophobicContact CD1-CD1 4.32Å; L1778-L1859 HydrophobicContact CD2-CD1 4.39Å; L1778-L1859 HydrophobicContact CD2-CD2 4.3Å; F1779-L1859 HydrophobicContact CE1-CD2 4.28Å; F1779-L1859 HydrophobicContact CZ-CD2 3.74Å; V1855-L1859 PolarHBondContact O-N 3.3Å; V1856-L1859 PolarHBondContact O-N 3.38Å; L1859-Y1861 VanDerWaalsContact C-N 3.33Å; L1859-Y1861 PolarHBondContact O-N 2.92Å; L1859-Q1862 PolarHBondContact O-N 3.28Å; L1859-V1863 WeakPolarHBondContact O-CG2 3.4Å; L1859-V1863 PolarHBondContact O-N 3.47Å; L1859-I1909 HydrophobicContact CB-CD1 4.35Å; L1859-I1909 HydrophobicContact CD1-CD1 4.24Å
1860I90.1Very high87.8Confident98 Ų9848.2 Ų48.250%0.50325%0.252SS..Hα-helixtrans-60-47.3176.6-65.5169000109.9V1856 Q1862 V1863 L1864V1856-I1860 HydrophobicContact CG1-CD1 4.12Å; V1856-I1860 WeakPolarHBondContact O-CG1 3.08Å; V1856-I1860 PolarHBondContact O-N 3.11Å; V1856-I1860 VanDerWaalsContact O-N 3.09Å; I1860-Q1862 VanDerWaalsContact C-N 3.32Å; I1860-Q1862 PolarHBondContact O-N 3.24Å; I1860-V1863 PolarHBondContact O-N 3.42Å; I1860-L1864 HydrophobicContact CG2-CD1 3.91Å; I1860-L1864 HydrophobicContact CG2-CG 4.43Å; I1860-L1864 WeakPolarHBondContact O-CG 3.32Å; I1860-L1864 PolarHBondContact O-N 3.15Å
1861Y91Very high87.8Confident19 Ų1952.1 Ų52.18%0.07527%0.272CS..Hα-helixtrans-56.7-44.9175.1173.4-91.4000112A1842 I1845 L1849 G1857 K1858 L1859 L1864 M1865 Y1901A1842-Y1861 PolarHBondContact O-OH 2.94Å; I1845-Y1861 HydrophobicContact CB-CE2 4.45Å; I1845-Y1861 HydrophobicContact CG2-CD2 3.88Å; I1845-Y1861 HydrophobicContact CG2-CE2 4Å; L1849-Y1861 HydrophobicContact CD1-CD2 4.31Å; L1849-Y1861 HydrophobicContact CD1-CG 4.05Å; G1857-Y1861 VanDerWaalsContact O-CB 3.26Å; G1857-Y1861 WeakPolarHBondContact O-CB 3.49Å; G1857-Y1861 PolarHBondContact O-N 2.98Å; K1858-Y1861 HydrophobicContact CD-CD1 4.33Å; K1858-Y1861 PolarHBondContact O-N 2.99Å; L1859-Y1861 VanDerWaalsContact C-N 3.33Å; L1859-Y1861 PolarHBondContact O-N 2.92Å; Y1861-L1864 PolarHBondContact O-N 2.7Å; Y1861-M1865 HydrophobicContact CD1-CG 4.25Å; Y1861-M1865 HydrophobicContact CD2-CG 4.15Å; Y1861-M1865 HydrophobicContact CE1-CG 3.9Å; Y1861-M1865 HydrophobicContact CE2-CG 3.83Å; Y1861-M1865 HydrophobicContact CE2-SD 4.36Å; Y1861-M1865 HydrophobicContact CG-CG 4.37Å; Y1861-M1865 VanDerWaalsContact O-CB 3.32Å; Y1861-M1865 WeakPolarHBondContact O-CB 3.27Å; Y1861-M1865 VanDerWaalsContact O-CG 3.24Å; Y1861-M1865 WeakPolarHBondContact O-CG 3.48Å; Y1861-M1865 PolarHBondContact O-N 3.24Å; Y1861-Y1901 HydrophobicContact CE1-CE1 4.3Å; Y1861-Y1901 WeakPolarHBondContact CE1-OH 3.34Å
1862Q90Very high87.9Confident3 Ų352.4 Ų52.41%0.01427%0.271CS..Hα-helixtrans-64-44.2179.6176.7155.5-13.300112.4K1858 L1859 I1860 M1865 I1866 F1902 S1905 I1909K1858-Q1862 WeakPolarHBondContact O-CB 3.49Å; K1858-Q1862 PolarHBondContact O-N 2.93Å; L1859-Q1862 PolarHBondContact O-N 3.28Å; I1860-Q1862 VanDerWaalsContact C-N 3.32Å; I1860-Q1862 PolarHBondContact O-N 3.24Å; Q1862-M1865 PolarHBondContact O-N 3.16Å; Q1862-I1866 HydrophobicContact CG-CD1 3.67Å; Q1862-I1866 HydrophobicContact CG-CG1 4.4Å; Q1862-I1866 WeakPolarHBondContact O-CB 3.37Å; Q1862-I1866 VanDerWaalsContact O-CG1 3.22Å; Q1862-I1866 WeakPolarHBondContact O-CG1 3.41Å; Q1862-I1866 PolarHBondContact O-N 3.23Å; Q1862-F1902 PolarHBondContact NE2-O 3.28Å; Q1862-S1905 PolarHBondContact OE1-OG 3.25Å; Q1862-I1909 HydrophobicContact CB-CD1 4.15Å
1863V88.6Confident87.9Confident66 Ų6644.9 Ų44.940%0.424%0.243SC..Hα-helixtrans-62.7-46.9177.6173.20000111F1601 L1859 I1860 M1865 I1866 A1867F1601-V1863 HydrophobicContact CE1-CG2 4.16Å; L1859-V1863 WeakPolarHBondContact O-CG2 3.4Å; L1859-V1863 PolarHBondContact O-N 3.47Å; I1860-V1863 PolarHBondContact O-N 3.42Å; V1863-M1865 PolarHBondContact O-N 3.31Å; V1863-I1866 PolarHBondContact O-N 3.22Å; V1863-A1867 WeakPolarHBondContact O-CB 3.37Å; V1863-A1867 PolarHBondContact O-N 3.09Å; V1863-A1867 VanDerWaalsContact O-N 3.08Å
1864L90.5Very high87.9Confident115 Ų11542.5 Ų42.560%0.60223%0.233SC*.Hα-helixtrans-62.6-43.8178.9-70.1175.5000111.9I1860 Y1861 A1867 F1868I1860-L1864 HydrophobicContact CG2-CD1 3.91Å; I1860-L1864 HydrophobicContact CG2-CG 4.43Å; I1860-L1864 WeakPolarHBondContact O-CG 3.32Å; I1860-L1864 PolarHBondContact O-N 3.15Å; Y1861-L1864 PolarHBondContact O-N 2.7Å; L1864-A1867 PolarHBondContact O-N 3.1Å; L1864-F1868 VanDerWaalsContact O-CB 3.27Å; L1864-F1868 WeakPolarHBondContact O-CB 3.1Å; L1864-F1868 PolarHBondContact O-N 3.11Å
1865M88.8Confident87.7Confident35 Ų3543.6 Ų43.617%0.17224%0.235CC..Hα-helixtrans-69.9-36.2-179.4-72.8-60.4-64.600113.1A1842 Y1861 Q1862 V1863 L1869 F1902A1842-M1865 HydrophobicContact CB-CE 4.33Å; Y1861-M1865 HydrophobicContact CD1-CG 4.25Å; Y1861-M1865 HydrophobicContact CD2-CG 4.15Å; Y1861-M1865 HydrophobicContact CE1-CG 3.9Å; Y1861-M1865 HydrophobicContact CE2-CG 3.83Å; Y1861-M1865 HydrophobicContact CE2-SD 4.36Å; Y1861-M1865 HydrophobicContact CG-CG 4.37Å; Y1861-M1865 VanDerWaalsContact O-CB 3.32Å; Y1861-M1865 WeakPolarHBondContact O-CB 3.27Å; Y1861-M1865 VanDerWaalsContact O-CG 3.24Å; Y1861-M1865 WeakPolarHBondContact O-CG 3.48Å; Y1861-M1865 PolarHBondContact O-N 3.24Å; Q1862-M1865 PolarHBondContact O-N 3.16Å; V1863-M1865 PolarHBondContact O-N 3.31Å; M1865-L1869 VanDerWaalsContact O-CB 3.22Å; M1865-L1869 WeakPolarHBondContact O-CB 3.15Å; M1865-L1869 PolarHBondContact O-N 2.76Å; M1865-F1902 HydrophobicContact CB-CE1 3.66Å; M1865-F1902 HydrophobicContact CB-CZ 3.86Å
1866I90.3Very high87.8Confident1 Ų144.1 Ų44.11%0.00524%0.238CC..Hα-helixtrans-65-47.1174.7-71.5168.3000110L1597 L1600 F1601 Q1862 V1863 L1869 H1870 F1902L1597-I1866 HydrophobicContact CD2-CG2 4.14Å; L1600-I1866 HydrophobicContact CB-CD1 4.19Å; L1600-I1866 HydrophobicContact CD1-CD1 4.36Å; L1600-I1866 HydrophobicContact CD1-CG2 4.41Å; F1601-I1866 HydrophobicContact CD1-CD1 4.41Å; F1601-I1866 HydrophobicContact CE1-CB 4.37Å; F1601-I1866 HydrophobicContact CE1-CD1 3.84Å; F1601-I1866 HydrophobicContact CE1-CG2 4.19Å; F1601-I1866 HydrophobicContact CE2-CG2 4.19Å; F1601-I1866 HydrophobicContact CZ-CB 4.14Å; F1601-I1866 HydrophobicContact CZ-CD1 4.37Å; F1601-I1866 HydrophobicContact CZ-CG2 3.62Å; Q1862-I1866 HydrophobicContact CG-CD1 3.67Å; Q1862-I1866 HydrophobicContact CG-CG1 4.4Å; Q1862-I1866 WeakPolarHBondContact O-CB 3.37Å; Q1862-I1866 VanDerWaalsContact O-CG1 3.22Å; Q1862-I1866 WeakPolarHBondContact O-CG1 3.41Å; Q1862-I1866 PolarHBondContact O-N 3.23Å; V1863-I1866 PolarHBondContact O-N 3.22Å; I1866-L1869 PolarHBondContact O-N 2.74Å; I1866-H1870 PolarHBondContact O-N 3.02Å; I1866-H1870 VanDerWaalsContact O-N 3.08Å; I1866-H1870 PolarHBondContact O-ND1 3.05Å; I1866-F1902 HydrophobicContact CD1-CB 4.42Å; I1866-F1902 HydrophobicContact CD1-CD1 4.42Å; I1866-F1902 HydrophobicContact CD1-CG 4.25Å; I1866-F1902 HydrophobicContact CG1-CB 4.42Å; I1866-F1902 HydrophobicContact CG1-CD1 3.85Å; I1866-F1902 HydrophobicContact CG1-CD2 3.74Å; I1866-F1902 HydrophobicContact CG1-CE1 3.98Å; I1866-F1902 HydrophobicContact CG1-CE2 3.86Å; I1866-F1902 HydrophobicContact CG1-CG 3.75Å; I1866-F1902 HydrophobicContact CG1-CZ 3.99Å
1867A88Confident87.6Confident46 Ų4640.5 Ų40.538%0.3822%0.216SC..Hα-helixtrans-61.5-4817800000111.3V1863 L1864 L1869 H1870 I1871V1863-A1867 WeakPolarHBondContact O-CB 3.37Å; V1863-A1867 PolarHBondContact O-N 3.09Å; V1863-A1867 VanDerWaalsContact O-N 3.08Å; L1864-A1867 PolarHBondContact O-N 3.1Å; A1867-L1869 PolarHBondContact O-N 2.83Å; A1867-H1870 PolarHBondContact O-N 3.08Å; A1867-I1871 WeakPolarHBondContact O-CB 3.42Å; A1867-I1871 WeakPolarHBondContact O-CD1 3.5Å; A1867-I1871 VanDerWaalsContact O-CG1 3.27Å; A1867-I1871 WeakPolarHBondContact O-CG1 3.44Å; A1867-I1871 PolarHBondContact O-N 3.06Å
1868F88Confident87.3Confident108 Ų10840 Ų4047%0.47421%0.209SC..Hα-helixtrans-57-48.2176.9177.7-101.3000111.7L1864 I1871 W1872L1864-F1868 VanDerWaalsContact O-CB 3.27Å; L1864-F1868 WeakPolarHBondContact O-CB 3.1Å; L1864-F1868 PolarHBondContact O-N 3.11Å; F1868-I1871 PolarHBondContact O-N 3.03Å; F1868-W1872 HydrophobicContact CE1-CB 4.49Å; F1868-W1872 HydrophobicContact CE1-CG 4.5Å; F1868-W1872 HydrophobicContact CE2-CD2 4.39Å; F1868-W1872 AromaticContact CE2-CE3 3.74Å; F1868-W1872 HydrophobicContact CE2-CE3 3.74Å; F1868-W1872 HydrophobicContact CE2-CZ3 4.23Å; F1868-W1872 AromaticContact CZ-CD2 3.94Å; F1868-W1872 HydrophobicContact CZ-CD2 3.94Å; F1868-W1872 AromaticContact CZ-CE3 3.7Å; F1868-W1872 HydrophobicContact CZ-CE3 3.7Å; F1868-W1872 HydrophobicContact CZ-CG 4.32Å; F1868-W1872 HydrophobicContact CZ-CZ3 4.22Å; F1868-W1872 WeakPolarHBondContact O-CB 3.17Å; F1868-W1872 PolarHBondContact O-N 2.91Å
1869L87Confident86.9Confident12 Ų1243.7 Ų43.76%0.06323%0.229CC..Hα-helixtrans-66-41.5-177.2-178.7135.7000113.1M1865 I1866 A1867 W1872 V1873 L1894 Y1895 K1898 F1902M1865-L1869 VanDerWaalsContact O-CB 3.22Å; M1865-L1869 WeakPolarHBondContact O-CB 3.15Å; M1865-L1869 PolarHBondContact O-N 2.76Å; I1866-L1869 PolarHBondContact O-N 2.74Å; A1867-L1869 PolarHBondContact O-N 2.83Å; L1869-W1872 PolarHBondContact O-N 3.05Å; L1869-V1873 HydrophobicContact CG-CG2 4.3Å; L1869-V1873 WeakPolarHBondContact O-CB 3.23Å; L1869-V1873 WeakPolarHBondContact O-CG2 3.41Å; L1869-V1873 PolarHBondContact O-N 3.43Å; L1869-L1894 HydrophobicContact CD1-CD2 4.29Å; L1869-Y1895 HydrophobicContact CD2-CD2 3.25Å; L1869-Y1895 HydrophobicContact CD2-CE2 3.42Å; L1869-Y1895 VanDerWaalsContact CD2-CE2 3.42Å; L1869-Y1895 HydrophobicContact CD2-CG 4.32Å; L1869-Y1895 HydrophobicContact CG-CD2 4.38Å; L1869-K1898 HydrophobicContact CD1-CB 3.64Å; L1869-K1898 HydrophobicContact CD1-CG 3.38Å; L1869-F1902 HydrophobicContact CB-CE2 4.35Å; L1869-F1902 HydrophobicContact CD1-CE2 4.09Å; L1869-F1902 HydrophobicContact CD1-CZ 4.43Å; L1869-F1902 HydrophobicContact CD2-CE2 4.23Å; L1869-F1902 HydrophobicContact CG-CE2 4.48Å
1870H87.1Confident86.6Confident13 Ų1346.9 Ų46.96%0.0625%0.245CC..Hα-helixtrans-67.4-42.4177.7-73.285.1000111.9L1593 I1866 A1867 F1874 Y1895L1593-H1870 VanDerWaalsContact CD1-CD2 3.45Å; L1593-H1870 WeakPolarHBondContact CD1-CD2 3.33Å; I1866-H1870 PolarHBondContact O-N 3.02Å; I1866-H1870 VanDerWaalsContact O-N 3.08Å; I1866-H1870 PolarHBondContact O-ND1 3.05Å; A1867-H1870 PolarHBondContact O-N 3.08Å; H1870-F1874 HydrophobicContact CB-CD2 4.47Å; H1870-F1874 AromaticContact CD2-CE2 3.87Å; H1870-F1874 WeakPolarHBondContact O-CB 3.21Å; H1870-F1874 WeakPolarHBondContact O-CD2 3.42Å; H1870-F1874 PolarHBondContact O-N 3.4Å; H1870-F1874 VanDerWaalsContact O-N 3.16Å; H1870-Y1895 AromaticContact CD2-CE2 3.83Å; H1870-Y1895 PolarHBondContact CD2-OH 3.37Å; H1870-Y1895 AromaticContact NE2-CE2 3.6Å; H1870-Y1895 AromaticContact NE2-CZ 3.61Å; H1870-Y1895 PolarHBondContact NE2-OH 3.34Å
1871I86.8Confident86Confident91 Ų9142.8 Ų42.847%0.46722%0.224SC..Hα-helixtrans-65.4-44176-66.2167.8000110.1A1867 F1868 L1875 V1876A1867-I1871 WeakPolarHBondContact O-CB 3.42Å; A1867-I1871 WeakPolarHBondContact O-CD1 3.5Å; A1867-I1871 VanDerWaalsContact O-CG1 3.27Å; A1867-I1871 WeakPolarHBondContact O-CG1 3.44Å; A1867-I1871 PolarHBondContact O-N 3.06Å; F1868-I1871 PolarHBondContact O-N 3.03Å; I1871-L1875 HydrophobicContact CG2-CD1 4.46Å; I1871-L1875 WeakPolarHBondContact O-CA 3.17Å; I1871-L1875 VanDerWaalsContact O-CB 3.31Å; I1871-L1875 WeakPolarHBondContact O-CB 3.33Å; I1871-L1875 PolarHBondContact O-N 3.03Å; I1871-V1876 HydrophobicContact CG2-CG2 4.16Å; I1871-V1876 PolarHBondContact O-N 3.32Å
1872W86.3Confident85.4Confident43 Ų4349.5 Ų49.516%0.16325%0.249CC..Iπ-helixtrans-66.7-48.7-177.1-166.6-92.3000112.4V1834 M1835 F1868 L1869 V1876 L1877V1834-W1872 HydrophobicContact CG1-CH2 3.97Å; V1834-W1872 HydrophobicContact CG1-CZ2 4.34Å; M1835-W1872 HydrophobicContact CG-CZ2 4.26Å; M1835-W1872 PolarHBondContact SD-NE1 2.83Å; F1868-W1872 HydrophobicContact CE1-CB 4.49Å; F1868-W1872 HydrophobicContact CE1-CG 4.5Å; F1868-W1872 HydrophobicContact CE2-CD2 4.39Å; F1868-W1872 AromaticContact CE2-CE3 3.74Å; F1868-W1872 HydrophobicContact CE2-CE3 3.74Å; F1868-W1872 HydrophobicContact CE2-CZ3 4.23Å; F1868-W1872 AromaticContact CZ-CD2 3.94Å; F1868-W1872 HydrophobicContact CZ-CD2 3.94Å; F1868-W1872 AromaticContact CZ-CE3 3.7Å; F1868-W1872 HydrophobicContact CZ-CE3 3.7Å; F1868-W1872 HydrophobicContact CZ-CG 4.32Å; F1868-W1872 HydrophobicContact CZ-CZ3 4.22Å; F1868-W1872 WeakPolarHBondContact O-CB 3.17Å; F1868-W1872 PolarHBondContact O-N 2.91Å; L1869-W1872 PolarHBondContact O-N 3.05Å; W1872-V1876 HydrophobicContact CD2-CB 4.43Å; W1872-V1876 HydrophobicContact CD2-CG1 4.36Å; W1872-V1876 HydrophobicContact CE3-CB 4.28Å; W1872-V1876 HydrophobicContact CE3-CG1 4.06Å; W1872-V1876 HydrophobicContact CE3-CG2 4.39Å; W1872-V1876 HydrophobicContact CH2-CG1 4.45Å; W1872-V1876 HydrophobicContact CZ3-CG1 4.11Å; W1872-V1876 PolarHBondContact O-N 3.36Å; W1872-L1877 WeakPolarHBondContact O-CB 3.2Å; W1872-L1877 PolarHBondContact O-N 3.03Å
1873V84.6Confident84.6Confident8 Ų855 Ų555%0.04827%0.27CS..Iπ-helixtrans-75.9-39.3-174.6174.90000112.8L1869 P1878 Y1895L1869-V1873 HydrophobicContact CG-CG2 4.3Å; L1869-V1873 WeakPolarHBondContact O-CB 3.23Å; L1869-V1873 WeakPolarHBondContact O-CG2 3.41Å; L1869-V1873 PolarHBondContact O-N 3.43Å; V1873-P1878 VanDerWaalsContact O-CD 3.27Å; V1873-P1878 WeakPolarHBondContact O-CD 3.39Å; V1873-P1878 WeakPolarHBondContact O-CG 3.44Å; V1873-Y1895 HydrophobicContact CG1-CD2 4.48Å
1874F83.7Confident83.9Confident32 Ų3254 Ų5414%0.1427%0.266CS..Iπ-helixtrans-95.5-23.1-174.3-62.5-67.5000114.3Q1584 L1593 H1870 A1885 Y1895Q1584-F1874 HydrophobicContact CG-CE1 4.28Å; Q1584-F1874 HydrophobicContact CG-CE2 4.07Å; Q1584-F1874 HydrophobicContact CG-CZ 3.6Å; L1593-F1874 HydrophobicContact CD1-CD2 4.36Å; L1593-F1874 HydrophobicContact CD1-CE2 4.42Å; H1870-F1874 HydrophobicContact CB-CD2 4.47Å; H1870-F1874 AromaticContact CD2-CE2 3.87Å; H1870-F1874 WeakPolarHBondContact O-CB 3.21Å; H1870-F1874 WeakPolarHBondContact O-CD2 3.42Å; H1870-F1874 PolarHBondContact O-N 3.4Å; H1870-F1874 VanDerWaalsContact O-N 3.16Å; F1874-A1885 HydrophobicContact CD1-CB 4.12Å; F1874-Y1895 AromaticContact CE2-CD2 3.98Å; F1874-Y1895 HydrophobicContact CE2-CD2 3.98Å; F1874-Y1895 AromaticContact CE2-CE2 3.48Å; F1874-Y1895 HydrophobicContact CE2-CE2 3.48Å; F1874-Y1895 VanDerWaalsContact CE2-CE2 3.48Å; F1874-Y1895 AromaticContact CE2-CZ 3.86Å; F1874-Y1895 HydrophobicContact CZ-CD2 4.11Å; F1874-Y1895 HydrophobicContact CZ-CE1 4.34Å; F1874-Y1895 AromaticContact CZ-CE2 3.86Å; F1874-Y1895 HydrophobicContact CZ-CE2 3.86Å; F1874-Y1895 AromaticContact CZ-CZ 3.97Å
1875L84.1Confident83.2Confident68 Ų6849.2 Ų49.236%0.35624%0.242SC..Iπ-helixtrans-114.1-54.8-178.6-56173.9000112.8L1658 I1871 N1879L1658-L1875 HydrophobicContact CD1-CD2 4.19Å; I1871-L1875 HydrophobicContact CG2-CD1 4.46Å; I1871-L1875 WeakPolarHBondContact O-CA 3.17Å; I1871-L1875 VanDerWaalsContact O-CB 3.31Å; I1871-L1875 WeakPolarHBondContact O-CB 3.33Å; I1871-L1875 PolarHBondContact O-N 3.03Å; L1875-N1879 VanDerWaalsContact O-CB 3.28Å; L1875-N1879 WeakPolarHBondContact O-CB 3.21Å; L1875-N1879 PolarHBondContact O-N 3.33Å
1876V85.1Confident82.6Confident43 Ų4349.5 Ų49.526%0.26124%0.244SC..Iπ-helixtrans-72.8-49.7-172.8-179.30000111.8I1871 W1872 N1879 M1880I1871-V1876 HydrophobicContact CG2-CG2 4.16Å; I1871-V1876 PolarHBondContact O-N 3.32Å; W1872-V1876 HydrophobicContact CD2-CB 4.43Å; W1872-V1876 HydrophobicContact CD2-CG1 4.36Å; W1872-V1876 HydrophobicContact CE3-CB 4.28Å; W1872-V1876 HydrophobicContact CE3-CG1 4.06Å; W1872-V1876 HydrophobicContact CE3-CG2 4.39Å; W1872-V1876 HydrophobicContact CH2-CG1 4.45Å; W1872-V1876 HydrophobicContact CZ3-CG1 4.11Å; W1872-V1876 PolarHBondContact O-N 3.36Å; V1876-N1879 PolarHBondContact O-N 3.26Å; V1876-M1880 HydrophobicContact CG1-CG 4.21Å; V1876-M1880 HydrophobicContact CG1-SD 3.79Å; V1876-M1880 WeakPolarHBondContact O-CG 3.35Å; V1876-M1880 PolarHBondContact O-N 2.88Å
1877L82.9Confident82.1Confident5 Ų552.5 Ų52.53%0.02627%0.265CS..Hα-helixtrans-64-44.4-176.1-172.873.6000112.6F1811 W1872 N1879 M1880 T1881 A1891F1811-L1877 HydrophobicContact CD1-CD1 4.06Å; F1811-L1877 HydrophobicContact CD1-CD2 4.45Å; W1872-L1877 WeakPolarHBondContact O-CB 3.2Å; W1872-L1877 PolarHBondContact O-N 3.03Å; L1877-N1879 VanDerWaalsContact C-N 3.31Å; L1877-N1879 PolarHBondContact O-N 2.62Å; L1877-M1880 PolarHBondContact O-N 2.93Å; L1877-T1881 HydrophobicContact CD1-CG2 3.77Å; L1877-T1881 HydrophobicContact CG-CG2 4.19Å; L1877-T1881 WeakPolarHBondContact O-CB 3.31Å; L1877-T1881 WeakPolarHBondContact O-CG2 3.07Å; L1877-T1881 PolarHBondContact O-N 3.46Å; L1877-T1881 PolarHBondContact O-OG1 2.91Å; L1877-A1891 HydrophobicContact CD2-CB 3.67Å
1878P81.5Confident81.8Confident7 Ų750.7 Ų50.75%0.04525%0.249CC..Hα-helixtrans-67-33177-23.738.1000112.8P1652 V1873 R1882 R1883 A1885P1652-P1878 HydrophobicContact CB-CB 4.19Å; V1873-P1878 VanDerWaalsContact O-CD 3.27Å; V1873-P1878 WeakPolarHBondContact O-CD 3.39Å; V1873-P1878 WeakPolarHBondContact O-CG 3.44Å; P1878-R1882 VanDerWaalsContact O-CA 3.3Å; P1878-R1882 WeakPolarHBondContact O-CA 3.41Å; P1878-R1882 PolarHBondContact O-N 2.75Å; P1878-R1883 VanDerWaalsContact CA-O 3.27Å; P1878-R1883 WeakPolarHBondContact CA-O 3.45Å; P1878-R1883 WeakPolarHBondContact CB-O 3.37Å; P1878-A1885 HydrophobicContact CG-CB 4.06Å
1879N82.9Confident81.6Confident79 Ų7952.1 Ų52.142%0.42226%0.257SS..Hα-helixtrans-68.3-44.1175.4-170.635.3000111.9L1875 V1876 L1877L1875-N1879 VanDerWaalsContact O-CB 3.28Å; L1875-N1879 WeakPolarHBondContact O-CB 3.21Å; L1875-N1879 PolarHBondContact O-N 3.33Å; V1876-N1879 PolarHBondContact O-N 3.26Å; L1877-N1879 VanDerWaalsContact C-N 3.31Å; L1877-N1879 PolarHBondContact O-N 2.62Å
1880M81.4Confident81.6Confident93 Ų9353.3 Ų53.346%0.45827%0.265SS..Hα-helixtrans-74.3-37.5180-69.7-172.778.700113.6T1831 V1876 L1877T1831-M1880 HydrophobicContact CG2-CB 4.46Å; T1831-M1880 HydrophobicContact CG2-CE 3.64Å; T1831-M1880 HydrophobicContact CG2-SD 3.83Å; V1876-M1880 HydrophobicContact CG1-CG 4.21Å; V1876-M1880 HydrophobicContact CG1-SD 3.79Å; V1876-M1880 WeakPolarHBondContact O-CG 3.35Å; V1876-M1880 PolarHBondContact O-N 2.88Å; L1877-M1880 PolarHBondContact O-N 2.93Å
1881T77.7Confident81.4Confident11 Ų1152.7 Ų52.77%0.06726%0.262CS..Hα-helixtrans-92.4-9.7-176.261.40000113.8L1877 R1883L1877-T1881 HydrophobicContact CD1-CG2 3.77Å; L1877-T1881 HydrophobicContact CG-CG2 4.19Å; L1877-T1881 WeakPolarHBondContact O-CB 3.31Å; L1877-T1881 WeakPolarHBondContact O-CG2 3.07Å; L1877-T1881 PolarHBondContact O-N 3.46Å; L1877-T1881 PolarHBondContact O-OG1 2.91Å; T1881-R1883 PolarHBondContact O-N 2.76Å; T1881-R1883 PolarHBondContact OG1-N 2.92Å
1882R77.6Confident81.4Confident160 Ų16049.5 Ų49.560%0.60425%0.245SC*.SBendtrans53.818.5-169.7-59-64.9-173.3169.9-0.9114.2P1878P1878-R1882 VanDerWaalsContact O-CA 3.3Å; P1878-R1882 WeakPolarHBondContact O-CA 3.41Å; P1878-R1882 PolarHBondContact O-N 2.75Å
1883R74.6Confident81.4Confident120 Ų12049.3 Ų49.345%0.45325%0.253SS..SBendtrans-111.8131.5176.2-69.1-178179.8-179.50.2109.6P1878 T1881P1878-R1883 VanDerWaalsContact CA-O 3.27Å; P1878-R1883 WeakPolarHBondContact CA-O 3.45Å; P1878-R1883 WeakPolarHBondContact CB-O 3.37Å; T1881-R1883 PolarHBondContact O-N 2.76Å; T1881-R1883 PolarHBondContact OG1-N 2.92Å
1884S73.8Confident81.6Confident45 Ų4549.5 Ų49.532%0.31525%0.253SS..  trans-58.7143.3174.372.20000110.7I1886 S1887 N1888S1884-I1886 PolarHBondContact O-N 3.22Å; S1884-S1887 PolarHBondContact N-OG 3.08Å; S1884-S1887 PolarHBondContact O-N 3.25Å; S1884-S1887 PolarHBondContact O-OG 3.28Å; S1884-S1887 PolarHBondContact OG-N 3.49Å; S1884-S1887 PolarHBondContact OG-OG 3.33Å; S1884-N1888 PolarHBondContact O-N 3.4Å
1885A74.5Confident81.9Confident13 Ų1348 Ų4811%0.10725%0.247CC..THydrogen-bonded Turntrans-56-26.5176.500000112.6F1874 P1878 S1887 N1888 Q1892F1874-A1885 HydrophobicContact CD1-CB 4.12Å; P1878-A1885 HydrophobicContact CG-CB 4.06Å; A1885-S1887 VanDerWaalsContact C-N 3.34Å; A1885-N1888 PolarHBondContact O-N 2.72Å; A1885-Q1892 PolarHBondContact O-NE2 3.27Å
1886I77.5Confident82.2Confident41 Ų4146.1 Ų46.121%0.2124%0.238CC..THydrogen-bonded Turntrans-74-24.1179.1-55.7166.2000112T1587 S1884 Q1892T1587-I1886 WeakPolarHBondContact O-CD1 3.38Å; S1884-I1886 PolarHBondContact O-N 3.22Å; I1886-Q1892 VanDerWaalsContact CA-NE2 3.33Å; I1886-Q1892 PolarHBondContact O-NE2 2.91Å
1887S78.5Confident82.5Confident64 Ų6446.2 Ų46.245%0.44824%0.237SC..THydrogen-bonded Turntrans-88.7-13.4175.561.80000113.8S1884 A1885 H1889S1884-S1887 PolarHBondContact N-OG 3.08Å; S1884-S1887 PolarHBondContact O-N 3.25Å; S1884-S1887 PolarHBondContact O-OG 3.28Å; S1884-S1887 PolarHBondContact OG-N 3.49Å; S1884-S1887 PolarHBondContact OG-OG 3.33Å; A1885-S1887 VanDerWaalsContact C-N 3.34Å; S1887-H1889 PolarHBondContact O-N 3.4Å
1888N82.1Confident82.9Confident9 Ų946.3 Ų46.35%0.04824%0.237CC..  trans-98.888.9-175.3-168.4-21.8000112A1810 S1884 A1885 V1890 A1891 Q1892A1810-N1888 PolarHBondContact O-ND2 2.71Å; S1884-N1888 PolarHBondContact O-N 3.4Å; A1885-N1888 PolarHBondContact O-N 2.72Å; N1888-V1890 VanDerWaalsContact C-N 3.3Å; N1888-V1890 PolarHBondContact O-N 3.1Å; N1888-V1890 PolarHBondContact OD1-N 3.41Å; N1888-A1891 HydrophobicContact CB-CB 3.95Å; N1888-A1891 PolarHBondContact O-N 2.95Å; N1888-A1891 PolarHBondContact OD1-N 3.46Å; N1888-A1891 VanDerWaalsContact OD1-N 3.16Å; N1888-Q1892 WeakPolarHBondContact O-CG 3.38Å; N1888-Q1892 PolarHBondContact O-N 2.91Å
1889H84.8Confident83.3Confident138 Ų13846 Ų4664%0.63924%0.235SC*.Hα-helixtrans-61.8-31.1-177.8-63.2-53.3000114.7S1887 Q1892 A1893S1887-H1889 PolarHBondContact O-N 3.4Å; H1889-Q1892 PolarHBondContact ND1-OE1 3.49Å; H1889-Q1892 WeakPolarHBondContact O-CB 3.43Å; H1889-Q1892 PolarHBondContact O-N 2.79Å; H1889-A1893 WeakPolarHBondContact O-CB 3.39Å; H1889-A1893 PolarHBondContact O-N 2.84Å
1890V86Confident83.6Confident36 Ų3644.5 Ų44.522%0.21823%0.23CC..Hα-helixtrans-68.5-43.6176.7179.50000109.9I1803 A1810 F1811 N1888 Q1892 A1893 L1894I1803-V1890 HydrophobicContact CG2-CG1 4Å; A1810-V1890 HydrophobicContact CB-CB 3.7Å; A1810-V1890 HydrophobicContact CB-CG1 4.33Å; A1810-V1890 HydrophobicContact CB-CG2 3.59Å; F1811-V1890 HydrophobicContact CE2-CG1 3.69Å; F1811-V1890 HydrophobicContact CZ-CG1 3.71Å; N1888-V1890 VanDerWaalsContact C-N 3.3Å; N1888-V1890 PolarHBondContact O-N 3.1Å; N1888-V1890 PolarHBondContact OD1-N 3.41Å; V1890-Q1892 VanDerWaalsContact C-N 3.32Å; V1890-Q1892 PolarHBondContact O-N 3.49Å; V1890-A1893 PolarHBondContact O-N 2.68Å; V1890-L1894 WeakPolarHBondContact O-CB 3.42Å; V1890-L1894 PolarHBondContact O-N 2.78Å
1891A83.3Confident84.1Confident1 Ų140.1 Ų40.11%0.00821%0.208CC..Hα-helixtrans-64.2-36.917500000112.1L1877 N1888 L1894 Y1895L1877-A1891 HydrophobicContact CD2-CB 3.67Å; N1888-A1891 HydrophobicContact CB-CB 3.95Å; N1888-A1891 PolarHBondContact O-N 2.95Å; N1888-A1891 PolarHBondContact OD1-N 3.46Å; N1888-A1891 VanDerWaalsContact OD1-N 3.16Å; A1891-L1894 PolarHBondContact O-N 2.93Å; A1891-Y1895 WeakPolarHBondContact O-CB 3.26Å; A1891-Y1895 PolarHBondContact O-N 3.47Å
1892Q86.7Confident84.8Confident23 Ų2339.6 Ų39.611%0.10721%0.205CC..Hα-helixtrans-62.2-50.3173.1-67.5170-1.900111.7V1585 A1885 I1886 N1888 H1889 V1890 L1894 Y1895 V1896V1585-Q1892 HydrophobicContact CG1-CB 3.79Å; V1585-Q1892 HydrophobicContact CG1-CG 3.79Å; A1885-Q1892 PolarHBondContact O-NE2 3.27Å; I1886-Q1892 VanDerWaalsContact CA-NE2 3.33Å; I1886-Q1892 PolarHBondContact O-NE2 2.91Å; N1888-Q1892 WeakPolarHBondContact O-CG 3.38Å; N1888-Q1892 PolarHBondContact O-N 2.91Å; H1889-Q1892 PolarHBondContact ND1-OE1 3.49Å; H1889-Q1892 WeakPolarHBondContact O-CB 3.43Å; H1889-Q1892 PolarHBondContact O-N 2.79Å; V1890-Q1892 VanDerWaalsContact C-N 3.32Å; V1890-Q1892 PolarHBondContact O-N 3.49Å; Q1892-L1894 VanDerWaalsContact C-N 3.29Å; Q1892-L1894 PolarHBondContact O-N 3.45Å; Q1892-Y1895 PolarHBondContact O-N 2.74Å; Q1892-V1896 VanDerWaalsContact O-CG2 3.31Å; Q1892-V1896 WeakPolarHBondContact O-CG2 3.47Å; Q1892-V1896 PolarHBondContact O-N 3.25Å
1893A86.9Confident85.3Confident39 Ų3933.2 Ų33.232%0.32218%0.183SC..Hα-helixtrans-59.3-42.1178.300000111.6H1889 V1890 V1896 I1897H1889-A1893 WeakPolarHBondContact O-CB 3.39Å; H1889-A1893 PolarHBondContact O-N 2.84Å; V1890-A1893 PolarHBondContact O-N 2.68Å; A1893-V1896 PolarHBondContact O-N 2.97Å; A1893-I1897 WeakPolarHBondContact O-CB 2.89Å; A1893-I1897 WeakPolarHBondContact O-CG1 3.34Å; A1893-I1897 PolarHBondContact O-N 3.45Å
1894L88.9Confident85.9Confident12 Ų1228.6 Ų28.66%0.06317%0.168CC..Hα-helixtrans-61.4-46.8174.8-172.9154.3000111.7M1804 F1811 M1835 L1869 V1890 A1891 Q1892 V1896 K1898M1804-L1894 HydrophobicContact CG-CD1 3.44Å; M1804-L1894 VanDerWaalsContact CG-CD1 3.44Å; M1804-L1894 HydrophobicContact SD-CD1 3.85Å; F1811-L1894 HydrophobicContact CZ-CD1 4.06Å; M1835-L1894 HydrophobicContact CE-CD1 3.57Å; L1869-L1894 HydrophobicContact CD1-CD2 4.29Å; V1890-L1894 WeakPolarHBondContact O-CB 3.42Å; V1890-L1894 PolarHBondContact O-N 2.78Å; A1891-L1894 PolarHBondContact O-N 2.93Å; Q1892-L1894 VanDerWaalsContact C-N 3.29Å; Q1892-L1894 PolarHBondContact O-N 3.45Å; L1894-V1896 PolarHBondContact O-N 3.28Å; L1894-K1898 WeakPolarHBondContact O-CB 3.44Å; L1894-K1898 PolarHBondContact O-N 3.24Å
1895Y89.6Confident86.7Confident2 Ų226.5 Ų26.51%0.00815%0.153CC..Hα-helixtrans-60.5-43.6177.9179.8-91.4000112I1581 V1585 L1869 H1870 V1873 F1874 A1891 Q1892 S1899I1581-Y1895 HydrophobicContact CG2-CD1 4.31Å; I1581-Y1895 HydrophobicContact CG2-CE1 3.86Å; V1585-Y1895 HydrophobicContact CG2-CD1 3.34Å; V1585-Y1895 HydrophobicContact CG2-CE1 3.72Å; V1585-Y1895 HydrophobicContact CG2-CG 4.41Å; L1869-Y1895 HydrophobicContact CD2-CD2 3.25Å; L1869-Y1895 HydrophobicContact CD2-CE2 3.42Å; L1869-Y1895 VanDerWaalsContact CD2-CE2 3.42Å; L1869-Y1895 HydrophobicContact CD2-CG 4.32Å; L1869-Y1895 HydrophobicContact CG-CD2 4.38Å; H1870-Y1895 AromaticContact CD2-CE2 3.83Å; H1870-Y1895 PolarHBondContact CD2-OH 3.37Å; H1870-Y1895 AromaticContact NE2-CE2 3.6Å; H1870-Y1895 AromaticContact NE2-CZ 3.61Å; H1870-Y1895 PolarHBondContact NE2-OH 3.34Å; V1873-Y1895 HydrophobicContact CG1-CD2 4.48Å; F1874-Y1895 AromaticContact CE2-CD2 3.98Å; F1874-Y1895 HydrophobicContact CE2-CD2 3.98Å; F1874-Y1895 AromaticContact CE2-CE2 3.48Å; F1874-Y1895 HydrophobicContact CE2-CE2 3.48Å; F1874-Y1895 VanDerWaalsContact CE2-CE2 3.48Å; F1874-Y1895 AromaticContact CE2-CZ 3.86Å; F1874-Y1895 HydrophobicContact CZ-CD2 4.11Å; F1874-Y1895 HydrophobicContact CZ-CE1 4.34Å; F1874-Y1895 AromaticContact CZ-CE2 3.86Å; F1874-Y1895 HydrophobicContact CZ-CE2 3.86Å; F1874-Y1895 AromaticContact CZ-CZ 3.97Å; A1891-Y1895 WeakPolarHBondContact O-CB 3.26Å; A1891-Y1895 PolarHBondContact O-N 3.47Å; Q1892-Y1895 PolarHBondContact O-N 2.74Å; Y1895-S1899 VanDerWaalsContact O-CB 3.24Å; Y1895-S1899 WeakPolarHBondContact O-CB 3.44Å; Y1895-S1899 PolarHBondContact O-N 2.89Å; Y1895-S1899 PolarHBondContact O-OG 3.39Å
1896V89.8Confident87.3Confident28 Ų2825.9 Ų25.917%0.1715%0.148CC..Hα-helixtrans-64.7-50.5179.6172.80000111.4M1582 V1585 Q1892 A1893 L1894 S1899 C1900M1582-V1896 HydrophobicContact CE-CB 4.1Å; M1582-V1896 HydrophobicContact CE-CG1 3.62Å; M1582-V1896 HydrophobicContact CE-CG2 3.3Å; V1585-V1896 HydrophobicContact CG1-CG2 4.42Å; V1585-V1896 HydrophobicContact CG2-CG2 3.74Å; Q1892-V1896 VanDerWaalsContact O-CG2 3.31Å; Q1892-V1896 WeakPolarHBondContact O-CG2 3.47Å; Q1892-V1896 PolarHBondContact O-N 3.25Å; A1893-V1896 PolarHBondContact O-N 2.97Å; L1894-V1896 PolarHBondContact O-N 3.28Å; V1896-S1899 WeakPolarHBondContact O-CB 3.13Å; V1896-S1899 PolarHBondContact O-N 2.85Å; V1896-C1900 PolarHBondContact O-N 3.2Å; V1896-C1900 PolarHBondContact O-SG 2.94Å; V1896-C1900 VanDerWaalsContact O-SG 3.42Å
1897I91.4Very high87.7Confident45 Ų4527.3 Ų27.323%0.23115%0.151CC..Hα-helixtrans-68.7-38.8-176.5-66.1176.5000110.6I1796 I1799 C1800 I1803 A1893 S1899 C1900 Y1901I1796-I1897 HydrophobicContact CG2-CG2 3.52Å; I1796-I1897 WeakPolarHBondContact CG2-O 3.39Å; I1799-I1897 HydrophobicContact CG2-CD1 3.9Å; I1799-I1897 HydrophobicContact CG2-CG2 4.23Å; C1800-I1897 VanDerWaalsContact SG-CG2 3.58Å; I1803-I1897 HydrophobicContact CD1-CD1 3.2Å; I1803-I1897 HydrophobicContact CD1-CG1 4.47Å; A1893-I1897 WeakPolarHBondContact O-CB 2.89Å; A1893-I1897 WeakPolarHBondContact O-CG1 3.34Å; A1893-I1897 PolarHBondContact O-N 3.45Å; I1897-S1899 VanDerWaalsContact C-N 3.31Å; I1897-S1899 PolarHBondContact O-N 3.46Å; I1897-C1900 WeakPolarHBondContact O-CB 3.5Å; I1897-C1900 PolarHBondContact O-N 3.36Å; I1897-C1900 VanDerWaalsContact O-N 3.17Å; I1897-Y1901 PolarHBondContact O-N 3.1Å
1898K91Very high88.1Confident6 Ų624.3 Ų24.33%0.02613%0.13CC..Hα-helixtrans-69.8-29.4174.5-160.158.9168165.90112.1D1797 L1869 L1894 Y1901 F1902D1797-K1898 IonicContact OD1-NZ 3Å; D1797-K1898 PolarHBondContact OD1-NZ 2.83Å; D1797-K1898 IonicContact OD2-NZ 3.66Å; L1869-K1898 HydrophobicContact CD1-CB 3.64Å; L1869-K1898 HydrophobicContact CD1-CG 3.38Å; L1894-K1898 WeakPolarHBondContact O-CB 3.44Å; L1894-K1898 PolarHBondContact O-N 3.24Å; K1898-Y1901 HydrophobicContact CD-CD1 4.05Å; K1898-Y1901 HydrophobicContact CD-CG 4.16Å; K1898-Y1901 VanDerWaalsContact O-CB 3.32Å; K1898-Y1901 WeakPolarHBondContact O-CB 3.34Å; K1898-Y1901 PolarHBondContact O-N 3.15Å; K1898-F1902 HydrophobicContact CG-CE2 3.96Å; K1898-F1902 HydrophobicContact CG-CZ 3.97Å; K1898-F1902 WeakPolarHBondContact O-CD2 3.28Å; K1898-F1902 WeakPolarHBondContact O-CG 3.33Å; K1898-F1902 PolarHBondContact O-N 2.64Å
1899S90.1Very high88.3Confident0 Ų024.1 Ų24.10%013%0.129CC..Hα-helixtrans-67-37.4169-60.90000112.1Y1895 V1896 I1897 Y1901 F1902 L1903Y1895-S1899 VanDerWaalsContact O-CB 3.24Å; Y1895-S1899 WeakPolarHBondContact O-CB 3.44Å; Y1895-S1899 PolarHBondContact O-N 2.89Å; Y1895-S1899 PolarHBondContact O-OG 3.39Å; V1896-S1899 WeakPolarHBondContact O-CB 3.13Å; V1896-S1899 PolarHBondContact O-N 2.85Å; I1897-S1899 VanDerWaalsContact C-N 3.31Å; I1897-S1899 PolarHBondContact O-N 3.46Å; S1899-Y1901 VanDerWaalsContact C-N 3.34Å; S1899-F1902 PolarHBondContact O-N 3.26Å; S1899-F1902 VanDerWaalsContact O-N 3.16Å; S1899-L1903 WeakPolarHBondContact O-CG 3.38Å; S1899-L1903 PolarHBondContact O-N 2.82Å
1900C89.3Confident88.1Confident49 Ų4920.3 Ų20.333%0.33111%0.109SC..Hα-helixtrans-61.7-41.5169.7-66.90000111.6V1896 I1897 F1902 L1903 V1904V1896-C1900 PolarHBondContact O-N 3.2Å; V1896-C1900 PolarHBondContact O-SG 2.94Å; V1896-C1900 VanDerWaalsContact O-SG 3.42Å; I1897-C1900 WeakPolarHBondContact O-CB 3.5Å; I1897-C1900 PolarHBondContact O-N 3.36Å; I1897-C1900 VanDerWaalsContact O-N 3.17Å; C1900-F1902 VanDerWaalsContact C-N 3.32Å; C1900-F1902 PolarHBondContact O-N 3.33Å; C1900-L1903 PolarHBondContact O-N 3.2Å; C1900-V1904 WeakPolarHBondContact O-CG2 3.42Å; C1900-V1904 PolarHBondContact O-N 3.25Å
1901Y92.2Very high87.8Confident0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-57.2-44.7171169.7-86.3000111.3M1793 D1797 D1846 K1858 Y1861 I1897 K1898 S1899 L1903 V1904 S1905M1793-Y1901 HydrophobicContact CB-CD2 4.12Å; M1793-Y1901 HydrophobicContact CB-CE2 3.84Å; M1793-Y1901 HydrophobicContact CE-CE2 3.99Å; M1793-Y1901 HydrophobicContact CG-CE2 4.38Å; D1797-Y1901 VanDerWaalsContact OD1-CD2 3.29Å; D1797-Y1901 WeakPolarHBondContact OD1-CD2 3.4Å; D1797-Y1901 WeakPolarHBondContact OD2-CE2 3.33Å; D1846-Y1901 VanDerWaalsContact CG-OH 3.31Å; D1846-Y1901 PolarHBondContact OD2-OH 2.86Å; K1858-Y1901 PolarHBondContact NZ-OH 3.25Å; Y1861-Y1901 HydrophobicContact CE1-CE1 4.3Å; Y1861-Y1901 WeakPolarHBondContact CE1-OH 3.34Å; I1897-Y1901 PolarHBondContact O-N 3.1Å; K1898-Y1901 HydrophobicContact CD-CD1 4.05Å; K1898-Y1901 HydrophobicContact CD-CG 4.16Å; K1898-Y1901 VanDerWaalsContact O-CB 3.32Å; K1898-Y1901 WeakPolarHBondContact O-CB 3.34Å; K1898-Y1901 PolarHBondContact O-N 3.15Å; S1899-Y1901 VanDerWaalsContact C-N 3.34Å; Y1901-L1903 VanDerWaalsContact C-N 3.34Å; Y1901-L1903 PolarHBondContact O-N 3.09Å; Y1901-V1904 PolarHBondContact O-N 3.31Å; Y1901-S1905 WeakPolarHBondContact O-CB 3.35Å; Y1901-S1905 PolarHBondContact O-N 3.02Å
1902F91.2Very high87.5Confident0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-66-33.5177.1-63.6-45.1000113.1L1600 Q1862 M1865 I1866 L1869 K1898 S1899 C1900 A1906L1600-F1902 HydrophobicContact CD2-CB 3.91Å; Q1862-F1902 PolarHBondContact NE2-O 3.28Å; M1865-F1902 HydrophobicContact CB-CE1 3.66Å; M1865-F1902 HydrophobicContact CB-CZ 3.86Å; I1866-F1902 HydrophobicContact CD1-CB 4.42Å; I1866-F1902 HydrophobicContact CD1-CD1 4.42Å; I1866-F1902 HydrophobicContact CD1-CG 4.25Å; I1866-F1902 HydrophobicContact CG1-CB 4.42Å; I1866-F1902 HydrophobicContact CG1-CD1 3.85Å; I1866-F1902 HydrophobicContact CG1-CD2 3.74Å; I1866-F1902 HydrophobicContact CG1-CE1 3.98Å; I1866-F1902 HydrophobicContact CG1-CE2 3.86Å; I1866-F1902 HydrophobicContact CG1-CG 3.75Å; I1866-F1902 HydrophobicContact CG1-CZ 3.99Å; L1869-F1902 HydrophobicContact CB-CE2 4.35Å; L1869-F1902 HydrophobicContact CD1-CE2 4.09Å; L1869-F1902 HydrophobicContact CD1-CZ 4.43Å; L1869-F1902 HydrophobicContact CD2-CE2 4.23Å; L1869-F1902 HydrophobicContact CG-CE2 4.48Å; K1898-F1902 HydrophobicContact CG-CE2 3.96Å; K1898-F1902 HydrophobicContact CG-CZ 3.97Å; K1898-F1902 WeakPolarHBondContact O-CD2 3.28Å; K1898-F1902 WeakPolarHBondContact O-CG 3.33Å; K1898-F1902 PolarHBondContact O-N 2.64Å; S1899-F1902 PolarHBondContact O-N 3.26Å; S1899-F1902 VanDerWaalsContact O-N 3.16Å; C1900-F1902 VanDerWaalsContact C-N 3.32Å; C1900-F1902 PolarHBondContact O-N 3.33Å; F1902-A1906 VanDerWaalsContact O-CB 3.28Å; F1902-A1906 WeakPolarHBondContact O-CB 3.39Å; F1902-A1906 PolarHBondContact O-N 2.99Å
1903L88.5Confident87.1Confident27 Ų2718.6 Ų18.614%0.14110%0.099CC..Hα-helixtrans-66.6-44.7172.8-71.6173.1000111.7Y1577 I1581 L1600 N1604 S1899 C1900 Y1901 A1906 W1907Y1577-L1903 HydrophobicContact CD2-CD2 4.46Å; I1581-L1903 HydrophobicContact CD1-CD1 3.94Å; L1600-L1903 HydrophobicContact CD2-CD2 3.91Å; L1600-L1903 HydrophobicContact CD2-CG 4.12Å; N1604-L1903 HydrophobicContact CB-CD2 4.25Å; N1604-L1903 WeakPolarHBondContact ND2-CA 3.35Å; N1604-L1903 PolarHBondContact ND2-O 3.38Å; S1899-L1903 WeakPolarHBondContact O-CG 3.38Å; S1899-L1903 PolarHBondContact O-N 2.82Å; C1900-L1903 PolarHBondContact O-N 3.2Å; Y1901-L1903 VanDerWaalsContact C-N 3.34Å; Y1901-L1903 PolarHBondContact O-N 3.09Å; L1903-A1906 PolarHBondContact O-N 2.88Å; L1903-W1907 WeakPolarHBondContact O-CB 3.32Å; L1903-W1907 PolarHBondContact O-N 3.06Å
1904V88.3Confident86.4Confident23 Ų2316.9 Ų16.914%0.1399%0.085CC..Hα-helixtrans-68-38.8176.3178.80000111.1L1789 I1792 M1793 I1796 C1900 Y1901 W1907 Q1908L1789-V1904 HydrophobicContact CB-CG1 3.81Å; L1789-V1904 HydrophobicContact CD1-CG1 4.23Å; L1789-V1904 HydrophobicContact CG-CG1 4.47Å; I1792-V1904 HydrophobicContact CB-CG1 4.5Å; I1792-V1904 HydrophobicContact CG2-CG1 4.19Å; I1792-V1904 HydrophobicContact CG2-CG2 4.38Å; M1793-V1904 HydrophobicContact CG-CB 4.33Å; M1793-V1904 HydrophobicContact CG-CG1 3.65Å; M1793-V1904 HydrophobicContact SD-CG1 4.48Å; I1796-V1904 HydrophobicContact CD1-CG2 4.08Å; C1900-V1904 WeakPolarHBondContact O-CG2 3.42Å; C1900-V1904 PolarHBondContact O-N 3.25Å; Y1901-V1904 PolarHBondContact O-N 3.31Å; V1904-W1907 WeakPolarHBondContact O-CB 3.48Å; V1904-W1907 PolarHBondContact O-N 3.24Å; V1904-Q1908 PolarHBondContact O-N 3.23Å
1905S89.7Confident85.3Confident0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-63.7-45.6174.9179.10000111.6K1858 Q1862 Y1901 W1907 Q1908 I1909K1858-S1905 WeakPolarHBondContact CE-OG 3.22Å; Q1862-S1905 PolarHBondContact OE1-OG 3.25Å; Y1901-S1905 WeakPolarHBondContact O-CB 3.35Å; Y1901-S1905 PolarHBondContact O-N 3.02Å; S1905-W1907 VanDerWaalsContact C-N 3.25Å; S1905-W1907 PolarHBondContact O-N 3.11Å; S1905-Q1908 WeakPolarHBondContact O-CB 3.48Å; S1905-Q1908 PolarHBondContact O-N 3.41Å; S1905-Q1908 VanDerWaalsContact O-N 3.15Å; S1905-I1909 WeakPolarHBondContact O-CG1 3.31Å; S1905-I1909 PolarHBondContact O-N 2.81Å
1906A87.6Confident84.2Confident0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-61.1-37.5173.900000111.3N1604 L1605 F1902 L1903 I1909 R1910N1604-A1906 HydrophobicContact CB-CB 4.11Å; N1604-A1906 WeakPolarHBondContact ND2-CB 3.28Å; L1605-A1906 HydrophobicContact CD2-CB 3.97Å; L1605-A1906 HydrophobicContact CG-CB 4.33Å; F1902-A1906 VanDerWaalsContact O-CB 3.28Å; F1902-A1906 WeakPolarHBondContact O-CB 3.39Å; F1902-A1906 PolarHBondContact O-N 2.99Å; L1903-A1906 PolarHBondContact O-N 2.88Å; A1906-I1909 PolarHBondContact O-N 3.34Å; A1906-R1910 WeakPolarHBondContact O-CB 3.28Å; A1906-R1910 PolarHBondContact O-N 3.29Å
1907W86Confident83Confident71 Ų7122.6 Ų22.627%0.26911%0.112SC..Hα-helixtrans-65-41174.7-172.218.4000112L1789 L1903 V1904 S1905 R1910 N1911L1789-W1907 HydrophobicContact CD1-CB 3.95Å; L1789-W1907 HydrophobicContact CD1-CD2 3.46Å; L1789-W1907 VanDerWaalsContact CD1-CD2 3.46Å; L1789-W1907 HydrophobicContact CD1-CE3 3.42Å; L1789-W1907 VanDerWaalsContact CD1-CE3 3.42Å; L1789-W1907 HydrophobicContact CD1-CG 3.7Å; L1789-W1907 HydrophobicContact CD1-CZ3 4.13Å; L1789-W1907 HydrophobicContact CD2-CE3 3.92Å; L1789-W1907 HydrophobicContact CD2-CH2 4.29Å; L1789-W1907 HydrophobicContact CD2-CZ3 3.77Å; L1789-W1907 HydrophobicContact CG-CE3 4.34Å; L1903-W1907 WeakPolarHBondContact O-CB 3.32Å; L1903-W1907 PolarHBondContact O-N 3.06Å; V1904-W1907 WeakPolarHBondContact O-CB 3.48Å; V1904-W1907 PolarHBondContact O-N 3.24Å; S1905-W1907 VanDerWaalsContact C-N 3.25Å; S1905-W1907 PolarHBondContact O-N 3.11Å; W1907-R1910 VanDerWaalsContact NE1-NH2 3.18Å; W1907-R1910 PolarHBondContact O-N 2.99Å; W1907-N1911 PolarHBondContact NE1-ND2 3.12Å; W1907-N1911 VanDerWaalsContact NE1-ND2 3.16Å; W1907-N1911 WeakPolarHBondContact O-CB 3.33Å; W1907-N1911 PolarHBondContact O-N 3.22Å; W1907-N1911 VanDerWaalsContact O-N 3.1Å
1908Q87.1Confident81.4Confident1 Ų123 Ų231%0.00512%0.115CC..Hα-helixtrans-63-41.5173.4-173.263.128.700111.6R1787 L1789 M1793 V1904 S1905 N1911 G1912 Y1913R1787-Q1908 PolarHBondContact O-NE2 3.47Å; R1787-Q1908 PolarHBondContact O-OE1 3.12Å; R1787-Q1908 VanDerWaalsContact O-OE1 3.09Å; L1789-Q1908 HydrophobicContact CD1-CB 4.29Å; M1793-Q1908 HydrophobicContact SD-CB 4.14Å; M1793-Q1908 HydrophobicContact SD-CG 4.34Å; V1904-Q1908 PolarHBondContact O-N 3.23Å; S1905-Q1908 WeakPolarHBondContact O-CB 3.48Å; S1905-Q1908 PolarHBondContact O-N 3.41Å; S1905-Q1908 VanDerWaalsContact O-N 3.15Å; Q1908-N1911 PolarHBondContact O-N 3.36Å; Q1908-G1912 PolarHBondContact NE2-O 2.78Å; Q1908-G1912 WeakPolarHBondContact O-CA 3.36Å; Q1908-G1912 PolarHBondContact O-N 3.31Å; Q1908-Y1913 HydrophobicContact CG-CD1 4.26Å; Q1908-Y1913 HydrophobicContact CG-CE1 3.73Å
1909I86.2Confident80Confident6 Ų624.8 Ų24.83%0.03113%0.134CC..Hα-helixtrans-64.7-43.5176.7-67.3172.7000110.8L1605 L1778 V1855 K1858 L1859 Q1862 S1905 A1906 N1911 G1912L1605-I1909 HydrophobicContact CD2-CB 4.35Å; L1605-I1909 HydrophobicContact CD2-CG2 4.1Å; L1778-I1909 HydrophobicContact CD1-CG2 4.42Å; L1778-I1909 HydrophobicContact CD2-CG2 4.33Å; V1855-I1909 HydrophobicContact CG1-CG2 4.12Å; K1858-I1909 HydrophobicContact CB-CG1 4.36Å; K1858-I1909 HydrophobicContact CG-CD1 4.05Å; K1858-I1909 HydrophobicContact CG-CG1 3.84Å; L1859-I1909 HydrophobicContact CB-CD1 4.35Å; L1859-I1909 HydrophobicContact CD1-CD1 4.24Å; Q1862-I1909 HydrophobicContact CB-CD1 4.15Å; S1905-I1909 WeakPolarHBondContact O-CG1 3.31Å; S1905-I1909 PolarHBondContact O-N 2.81Å; A1906-I1909 PolarHBondContact O-N 3.34Å; I1909-N1911 VanDerWaalsContact C-N 3.28Å; I1909-N1911 PolarHBondContact O-N 3.44Å; I1909-G1912 PolarHBondContact O-N 3.45Å
1910R81.2Confident78.8Confident58 Ų5826 Ų2622%0.21914%0.141CC..Hα-helixtrans-61.1-36.5179-172.4-176.672.7-171.85.3112.6N1607 A1906 W1907N1607-R1910 HydrophobicContact CB-CG 4.16Å; A1906-R1910 WeakPolarHBondContact O-CB 3.28Å; A1906-R1910 PolarHBondContact O-N 3.29Å; W1907-R1910 VanDerWaalsContact NE1-NH2 3.18Å; W1907-R1910 PolarHBondContact O-N 2.99Å
1911N78.2Confident77.5Confident6 Ų628.7 Ų28.73%0.03215%0.151CC..Hα-helixtrans-88.8-31.6-178-73.76.6000112.9R1784 Y1785 W1907 Q1908 I1909R1784-N1911 WeakPolarHBondContact CG-O 3.36Å; R1784-N1911 PolarHBondContact NE-O 3.42Å; R1784-N1911 VanDerWaalsContact NE-O 3.1Å; Y1785-N1911 VanDerWaalsContact O-CA 3.26Å; Y1785-N1911 WeakPolarHBondContact O-CA 3.29Å; Y1785-N1911 WeakPolarHBondContact O-CB 3.42Å; Y1785-N1911 VanDerWaalsContact O-CG 3.23Å; W1907-N1911 PolarHBondContact NE1-ND2 3.12Å; W1907-N1911 VanDerWaalsContact NE1-ND2 3.16Å; W1907-N1911 WeakPolarHBondContact O-CB 3.33Å; W1907-N1911 PolarHBondContact O-N 3.22Å; W1907-N1911 VanDerWaalsContact O-N 3.1Å; Q1908-N1911 PolarHBondContact O-N 3.36Å; I1909-N1911 VanDerWaalsContact C-N 3.28Å; I1909-N1911 PolarHBondContact O-N 3.44Å
1912G78Confident76.3Confident4 Ų430.6 Ų30.64%0.04116%0.161CC..  trans79.3171.2-171.600000113.8Q1908 I1909Q1908-G1912 PolarHBondContact NE2-O 2.78Å; Q1908-G1912 WeakPolarHBondContact O-CA 3.36Å; Q1908-G1912 PolarHBondContact O-N 3.31Å; I1909-G1912 PolarHBondContact O-N 3.45Å
1913Y77.9Confident75.3Confident13 Ų1330.9 Ų30.95%0.05116%0.163CC..  trans-82.9148.2176.9-66.2-69.1000112.2R1784 Y1850 V1855 Q1908R1784-Y1913 PolarHBondContact NH2-O 2.79Å; Y1850-Y1913 AromaticContact CD2-CD1 3.96Å; Y1850-Y1913 HydrophobicContact CD2-CD1 3.96Å; Y1850-Y1913 AromaticContact CD2-CE1 3.73Å; Y1850-Y1913 HydrophobicContact CD2-CE1 3.73Å; Y1850-Y1913 HydrophobicContact CE2-CD1 4.33Å; Y1850-Y1913 HydrophobicContact CE2-CE1 4.47Å; V1855-Y1913 HydrophobicContact CG2-CD2 3.87Å; V1855-Y1913 HydrophobicContact CG2-CE2 4.29Å; Q1908-Y1913 HydrophobicContact CG-CD1 4.26Å; Q1908-Y1913 HydrophobicContact CG-CE1 3.73Å
1914P72.8Confident74.1Confident3 Ų332.7 Ų32.72%0.01917%0.171CC..  trans-69.4155.1169.432.4-36.6000111.1I1786 D1788 L1916I1786-P1914 HydrophobicContact CG2-CB 4.07Å; D1788-P1914 HydrophobicContact CB-CG 4.13Å; P1914-L1916 VanDerWaalsContact C-N 3.28Å; P1914-L1916 PolarHBondContact O-N 3.07Å
1915E66Low73.2Confident119 Ų11934.7 Ų34.756%0.55619%0.186SC*.SBendtrans-72.5-21.8177.6-71.2177162.700113.1Q1316 K1853Q1316-E1915 PolarHBondContact NE2-OE2 3.35Å; K1853-E1915 PolarHBondContact NZ-O 3.43Å
1916L65.8Low72.6Confident19 Ų1936.3 Ų36.310%0.09919%0.192CC..  trans-120.3124.7179.4-87.4115.6000110.2F1320 I1323 F1380 P1914 I1918 E2364F1320-L1916 HydrophobicContact CD2-CD1 4.42Å; I1323-L1916 HydrophobicContact CD1-CD1 3.78Å; I1323-L1916 HydrophobicContact CD1-CD2 3.25Å; I1323-L1916 HydrophobicContact CD1-CG 4.14Å; I1323-L1916 HydrophobicContact CG1-CD2 4.32Å; F1380-L1916 HydrophobicContact CE1-CB 4.4Å; F1380-L1916 HydrophobicContact CE2-CB 4.48Å; F1380-L1916 WeakPolarHBondContact CE2-O 3.4Å; F1380-L1916 HydrophobicContact CZ-CB 3.63Å; F1380-L1916 WeakPolarHBondContact CZ-O 3.4Å; P1914-L1916 VanDerWaalsContact C-N 3.28Å; P1914-L1916 PolarHBondContact O-N 3.07Å; L1916-I1918 HydrophobicContact CD2-CD1 3.9Å; L1916-I1918 HydrophobicContact CD2-CG1 4.37Å; L1916-E2364 WeakPolarHBondContact CD2-OE2 3.03Å
1917C63.8Low71.9Confident25 Ų2537.8 Ų37.817%0.16921%0.207CC..  trans-117.424.1-175.1-67.10000112.5Y1850 K1853 G1919 E2364Y1850-C1917 HydrophobicContact CE1-CB 4.48Å; K1853-C1917 VanDerWaalsContact CE-SG 3.53Å; C1917-G1919 PolarHBondContact O-N 3.07Å; C1917-E2364 PolarHBondContact N-OE1 2.99Å
1918I58.9Low71.3Confident54 Ų5438.7 Ų38.728%0.27722%0.215SC..  trans-72.3119.1-175.9-52.7177.2000110.9L1916 E2364L1916-I1918 HydrophobicContact CD2-CD1 3.9Å; L1916-I1918 HydrophobicContact CD2-CG1 4.37Å; I1918-E2364 HydrophobicContact CD1-CB 4.39Å; I1918-E2364 HydrophobicContact CD1-CG 4.03Å; I1918-E2364 VanDerWaalsContact CD1-OE2 3.27Å; I1918-E2364 WeakPolarHBondContact CD1-OE2 3.48Å; I1918-E2364 HydrophobicContact CG1-CG 3.84Å; I1918-E2364 WeakPolarHBondContact CG1-OE1 3.48Å; I1918-E2364 WeakPolarHBondContact CG1-OE2 3.34Å; I1918-E2364 PolarHBondContact N-OE1 3.26Å
1919G60.5Low70.6Confident43 Ų4343.9 Ų43.944%0.44325%0.248SC..  trans127.1140.4164.400000114C1917C1917-G1919 PolarHBondContact O-N 3.07Å
1920N64.4Low70.4Confident25 Ų2545 Ų4513%0.13425%0.254CS..  trans-78.6133.5162.9-1770.2000107.3L1922 T1923 H1924 R1947N1920-L1922 PolarHBondContact O-N 2.99Å; N1920-L1922 PolarHBondContact OD1-N 3.17Å; N1920-T1923 HydrophobicContact CB-CG2 4Å; N1920-T1923 WeakPolarHBondContact CB-OG1 3.18Å; N1920-T1923 PolarHBondContact N-OG1 3.34Å; N1920-T1923 WeakPolarHBondContact O-CA 3.36Å; N1920-T1923 PolarHBondContact O-N 3.45Å; N1920-T1923 PolarHBondContact O-OG1 3.25Å; N1920-H1924 PolarHBondContact O-CD2 3.49Å; N1920-H1924 PolarHBondContact O-N 3.01Å; N1920-R1947 VanDerWaalsContact CG-NH1 3.3Å; N1920-R1947 PolarHBondContact ND2-NH1 3.29Å
1921L63.9Low70.5Confident105 Ų10543.6 Ų43.655%0.5525%0.25SC..G310 helixtrans-47.4-40.1173.6-176.167.2000111.4P1791 T1923 H1924P1791-L1921 HydrophobicContact CB-CB 4.08Å; P1791-L1921 HydrophobicContact CB-CD2 3.71Å; P1791-L1921 HydrophobicContact CB-CG 4.42Å; P1791-L1921 HydrophobicContact CG-CB 4.16Å; P1791-L1921 HydrophobicContact CG-CD2 4.43Å; L1921-T1923 PolarHBondContact O-N 2.97Å; L1921-H1924 PolarHBondContact O-N 3.45Å
1922L66.4Low70.8Confident41 Ų4147.3 Ų47.322%0.21527%0.269CS..G310 helixtrans-67.7-18.4-180-59175.9000113.9N1920 N1930 A1933 F1934 F1937 F1975N1920-L1922 PolarHBondContact O-N 2.99Å; N1920-L1922 PolarHBondContact OD1-N 3.17Å; L1922-N1930 WeakPolarHBondContact O-CB 3.43Å; L1922-N1930 PolarHBondContact O-ND2 3.43Å; L1922-A1933 HydrophobicContact CD2-CB 3.68Å; L1922-F1934 HydrophobicContact CB-CD2 4.37Å; L1922-F1937 HydrophobicContact CD1-CB 3.78Å; L1922-F1937 HydrophobicContact CD1-CD2 3.99Å; L1922-F1937 HydrophobicContact CD1-CG 3.96Å; L1922-F1975 WeakPolarHBondContact O-CZ 3.34Å
1923T69.2Low70.9Confident6 Ų648.8 Ų48.84%0.03728%0.28CS..G310 helixtrans-109.83.5-177.668.30000114.3N1920 L1921 F1934 Y1971 F1975N1920-T1923 HydrophobicContact CB-CG2 4Å; N1920-T1923 WeakPolarHBondContact CB-OG1 3.18Å; N1920-T1923 PolarHBondContact N-OG1 3.34Å; N1920-T1923 WeakPolarHBondContact O-CA 3.36Å; N1920-T1923 PolarHBondContact O-N 3.45Å; N1920-T1923 PolarHBondContact O-OG1 3.25Å; L1921-T1923 PolarHBondContact O-N 2.97Å; T1923-F1934 HydrophobicContact CG2-CD2 3.76Å; T1923-F1934 HydrophobicContact CG2-CE2 3.71Å; T1923-F1934 HydrophobicContact CG2-CZ 4.45Å; T1923-Y1971 VanDerWaalsContact CB-OH 3.27Å; T1923-Y1971 WeakPolarHBondContact CB-OH 3.43Å; T1923-Y1971 HydrophobicContact CG2-CE1 4.07Å; T1923-Y1971 PolarHBondContact OG1-OH 3.39Å; T1923-F1975 VanDerWaalsContact CA-CE2 3.43Å; T1923-F1975 HydrophobicContact CG2-CD1 4.08Å; T1923-F1975 HydrophobicContact CG2-CD2 3.99Å; T1923-F1975 HydrophobicContact CG2-CE1 3.96Å; T1923-F1975 HydrophobicContact CG2-CE2 3.88Å; T1923-F1975 HydrophobicContact CG2-CG 4.1Å; T1923-F1975 HydrophobicContact CG2-CZ 3.86Å
1924H64.9Low71.3Confident64 Ų6448.5 Ų48.530%0.29628%0.28SS..SBendtrans-70.3-33.4175.9-85.5-84.2000113.5N1920 L1921N1920-H1924 PolarHBondContact O-CD2 3.49Å; N1920-H1924 PolarHBondContact O-N 3.01Å; L1921-H1924 PolarHBondContact O-N 3.45Å
1925S69.3Low71.9Confident65 Ų6553.1 Ų53.146%0.45530%0.299SS..SBendtrans-121.2146.1175.767.90000112.6G1927 N1930S1925-G1927 VanDerWaalsContact C-N 3.31Å; S1925-G1927 PolarHBondContact O-N 3.47Å; S1925-N1930 PolarHBondContact N-ND2 3.35Å; S1925-N1930 VanDerWaalsContact O-CB 3.27Å; S1925-N1930 WeakPolarHBondContact O-CB 3.45Å; S1925-N1930 PolarHBondContact O-ND2 3.1Å; S1925-N1930 PolarHBondContact OG-ND2 3.11Å
1926Y75.8Confident72.7Confident35 Ų3551.2 Ų51.214%0.13730%0.296CS..  trans-95.343.3-175.1-53.3-68.3000112.2P1376 F1975 K1978 Q1982 L2353P1376-Y1926 HydrophobicContact CB-CE2 4.42Å; P1376-Y1926 HydrophobicContact CG-CE2 3.99Å; Y1926-F1975 AromaticContact CD1-CD2 3.93Å; Y1926-F1975 HydrophobicContact CD1-CD2 3.93Å; Y1926-F1975 AromaticContact CD1-CE2 3.59Å; Y1926-F1975 HydrophobicContact CD1-CE2 3.59Å; Y1926-F1975 AromaticContact CE1-CD2 3.76Å; Y1926-F1975 HydrophobicContact CE1-CD2 3.76Å; Y1926-F1975 AromaticContact CE1-CE2 3.7Å; Y1926-F1975 HydrophobicContact CE1-CE2 3.7Å; Y1926-K1978 HydrophobicContact CD1-CB 4.26Å; Y1926-K1978 HydrophobicContact CD1-CG 3.48Å; Y1926-K1978 VanDerWaalsContact CD1-CG 3.48Å; Y1926-K1978 HydrophobicContact CD2-CG 4.31Å; Y1926-K1978 HydrophobicContact CE1-CG 3.88Å; Y1926-K1978 HydrophobicContact CG-CG 3.74Å; Y1926-Q1982 VanDerWaalsContact O-CB 3.24Å; Y1926-Q1982 WeakPolarHBondContact O-CB 3.26Å; Y1926-Q1982 WeakPolarHBondContact O-CG 3.41Å; Y1926-L2353 HydrophobicContact CE1-CD2 3.77Å; Y1926-L2353 WeakPolarHBondContact OH-CD2 3.34Å
1927G72.9Confident73.5Confident31 Ų3151.4 Ų51.432%0.3230%0.296SS..SBendtrans-93167.7-17800000114.6S1925 T1929 N1930 M1931S1925-G1927 VanDerWaalsContact C-N 3.31Å; S1925-G1927 PolarHBondContact O-N 3.47Å; G1927-T1929 VanDerWaalsContact C-N 3.33Å; G1927-T1929 PolarHBondContact O-N 3.34Å; G1927-N1930 PolarHBondContact O-N 3.4Å; G1927-M1931 PolarHBondContact O-N 3.41Å
1928M74.2Confident74.4Confident89 Ų8953 Ų5344%0.43830%0.302SS..Hα-helixtrans-59.5-42.1173.8179.9178.6176.400112.2N1930 M1931 I1932 F1983M1928-N1930 VanDerWaalsContact C-N 3.3Å; M1928-N1930 PolarHBondContact O-N 3.03Å; M1928-M1931 WeakPolarHBondContact O-CB 3.28Å; M1928-M1931 PolarHBondContact O-N 2.97Å; M1928-I1932 HydrophobicContact CE-CD1 3.83Å; M1928-I1932 HydrophobicContact CG-CD1 3.94Å; M1928-I1932 WeakPolarHBondContact O-CG1 3.44Å; M1928-I1932 PolarHBondContact O-N 2.71Å; M1928-F1983 HydrophobicContact CB-CD2 4.22Å; M1928-F1983 HydrophobicContact CG-CD2 4.44Å; M1928-F1983 HydrophobicContact SD-CD2 4.22Å; M1928-F1983 HydrophobicContact SD-CE2 3.88Å
1929T72.7Confident75.5Confident111 Ų11156.8 Ų56.868%0.68132%0.322SS*.Hα-helixtrans-60-42.7178.1-46.40000111.2G1927 I1932 A1933G1927-T1929 VanDerWaalsContact C-N 3.33Å; G1927-T1929 PolarHBondContact O-N 3.34Å; T1929-I1932 PolarHBondContact O-N 3.36Å; T1929-A1933 VanDerWaalsContact O-CB 3.31Å; T1929-A1933 WeakPolarHBondContact O-CB 3.25Å; T1929-A1933 PolarHBondContact O-N 2.86Å
1930N81.9Confident76.5Confident29 Ų2958.2 Ų58.216%0.15532%0.319CS..Hα-helixtrans-70.1-40.1178.4-76.724.8000112L1922 S1925 G1927 M1928 I1932 A1933 F1934L1922-N1930 WeakPolarHBondContact O-CB 3.43Å; L1922-N1930 PolarHBondContact O-ND2 3.43Å; S1925-N1930 PolarHBondContact N-ND2 3.35Å; S1925-N1930 VanDerWaalsContact O-CB 3.27Å; S1925-N1930 WeakPolarHBondContact O-CB 3.45Å; S1925-N1930 PolarHBondContact O-ND2 3.1Å; S1925-N1930 PolarHBondContact OG-ND2 3.11Å; G1927-N1930 PolarHBondContact O-N 3.4Å; M1928-N1930 VanDerWaalsContact C-N 3.3Å; M1928-N1930 PolarHBondContact O-N 3.03Å; N1930-I1932 VanDerWaalsContact C-N 3.31Å; N1930-I1932 PolarHBondContact O-N 3.34Å; N1930-A1933 PolarHBondContact O-N 3.03Å; N1930-F1934 WeakPolarHBondContact O-CB 3.46Å; N1930-F1934 PolarHBondContact O-N 3.44Å
1931M84Confident77.3Confident29 Ų2961.8 Ų61.814%0.14334%0.344CS..Hα-helixtrans-57.3-45.4172.7-172.3-178.659.800111.6G1927 M1928 K1935 C1979G1927-M1931 PolarHBondContact O-N 3.41Å; M1928-M1931 WeakPolarHBondContact O-CB 3.28Å; M1928-M1931 PolarHBondContact O-N 2.97Å; M1931-K1935 HydrophobicContact CG-CD 4.47Å; M1931-K1935 WeakPolarHBondContact O-CB 3.19Å; M1931-K1935 VanDerWaalsContact O-CG 3.31Å; M1931-K1935 WeakPolarHBondContact O-CG 3.47Å; M1931-K1935 PolarHBondContact O-N 3.25Å; M1931-C1979 HydrophobicContact CB-CB 3.76Å; M1931-C1979 HydrophobicContact CG-CB 3.96Å; M1931-C1979 HydrophobicContact SD-CB 4.18Å
1932I84Confident78.3Confident83 Ų8364.9 Ų64.943%0.42635%0.353SS..Hα-helixtrans-67.7-49.3179.5-67.2168.3000110.4M1928 T1929 N1930 F1934 K1935 V1936M1928-I1932 HydrophobicContact CE-CD1 3.83Å; M1928-I1932 HydrophobicContact CG-CD1 3.94Å; M1928-I1932 WeakPolarHBondContact O-CG1 3.44Å; M1928-I1932 PolarHBondContact O-N 2.71Å; T1929-I1932 PolarHBondContact O-N 3.36Å; N1930-I1932 VanDerWaalsContact C-N 3.31Å; N1930-I1932 PolarHBondContact O-N 3.34Å; I1932-F1934 VanDerWaalsContact C-N 3.29Å; I1932-F1934 PolarHBondContact O-N 2.91Å; I1932-K1935 PolarHBondContact O-N 3.11Å; I1932-V1936 HydrophobicContact CG2-CG2 4.43Å; I1932-V1936 WeakPolarHBondContact O-CG2 3.38Å; I1932-V1936 PolarHBondContact O-N 3.44Å
1933A80Confident79.1Confident35 Ų3564.8 Ų64.829%0.28935%0.352SS..Hα-helixtrans-62.1-38.1-18000000111.8L1922 T1929 N1930 V1936 F1937L1922-A1933 HydrophobicContact CD2-CB 3.68Å; T1929-A1933 VanDerWaalsContact O-CB 3.31Å; T1929-A1933 WeakPolarHBondContact O-CB 3.25Å; T1929-A1933 PolarHBondContact O-N 2.86Å; N1930-A1933 PolarHBondContact O-N 3.03Å; A1933-V1936 PolarHBondContact O-N 3.46Å; A1933-F1937 WeakPolarHBondContact O-CB 3.14Å; A1933-F1937 PolarHBondContact O-N 2.97Å
1934F86Confident79.9Confident7 Ų765.1 Ų65.13%0.03135%0.353CS..Hα-helixtrans-68-41.5174.1-172.2-106000112.2L1922 T1923 N1930 I1932 V1936 F1937 M1938 A1972 F1975L1922-F1934 HydrophobicContact CB-CD2 4.37Å; T1923-F1934 HydrophobicContact CG2-CD2 3.76Å; T1923-F1934 HydrophobicContact CG2-CE2 3.71Å; T1923-F1934 HydrophobicContact CG2-CZ 4.45Å; N1930-F1934 WeakPolarHBondContact O-CB 3.46Å; N1930-F1934 PolarHBondContact O-N 3.44Å; I1932-F1934 VanDerWaalsContact C-N 3.29Å; I1932-F1934 PolarHBondContact O-N 2.91Å; F1934-V1936 VanDerWaalsContact C-N 3.34Å; F1934-V1936 PolarHBondContact O-N 2.84Å; F1934-F1937 HydrophobicContact CD2-CD1 4.46Å; F1934-F1937 HydrophobicContact CE2-CD1 4.42Å; F1934-F1937 WeakPolarHBondContact O-CB 3.4Å; F1934-F1937 PolarHBondContact O-N 3.3Å; F1934-M1938 HydrophobicContact CD1-CG 4.29Å; F1934-M1938 HydrophobicContact CE1-CG 3.99Å; F1934-M1938 HydrophobicContact CE1-SD 4.43Å; F1934-M1938 HydrophobicContact CZ-CG 4.2Å; F1934-M1938 HydrophobicContact CZ-SD 4.16Å; F1934-M1938 WeakPolarHBondContact O-CG 3.41Å; F1934-M1938 PolarHBondContact O-N 2.88Å; F1934-A1972 HydrophobicContact CE1-CB 3.84Å; F1934-A1972 HydrophobicContact CZ-CB 3.7Å; F1934-F1975 HydrophobicContact CB-CD1 4.45Å; F1934-F1975 HydrophobicContact CB-CE1 3.84Å; F1934-F1975 AromaticContact CD1-CD1 3.53Å; F1934-F1975 HydrophobicContact CD1-CD1 3.53Å; F1934-F1975 AromaticContact CD1-CE1 3.81Å; F1934-F1975 HydrophobicContact CD1-CE1 3.81Å; F1934-F1975 HydrophobicContact CD2-CD1 4.41Å; F1934-F1975 HydrophobicContact CD2-CE1 4.29Å; F1934-F1975 AromaticContact CE1-CD1 3.78Å; F1934-F1975 HydrophobicContact CE1-CD1 3.78Å; F1934-F1975 HydrophobicContact CE1-CE1 4.46Å; F1934-F1975 AromaticContact CG-CD1 3.88Å; F1934-F1975 HydrophobicContact CG-CD1 3.88Å; F1934-F1975 AromaticContact CG-CE1 3.71Å; F1934-F1975 HydrophobicContact CG-CE1 3.71Å; F1934-F1975 HydrophobicContact CZ-CD1 4.33Å
1935K85.1Confident80.9Confident100 Ų10066.5 Ų66.544%0.43536%0.36SS..Hα-helixtrans-63.7-38.3172.5-78.2-176.9178-175.20112.5M1931 I1932 M1938 N1939 N1976M1931-K1935 HydrophobicContact CG-CD 4.47Å; M1931-K1935 WeakPolarHBondContact O-CB 3.19Å; M1931-K1935 VanDerWaalsContact O-CG 3.31Å; M1931-K1935 WeakPolarHBondContact O-CG 3.47Å; M1931-K1935 PolarHBondContact O-N 3.25Å; I1932-K1935 PolarHBondContact O-N 3.11Å; K1935-M1938 PolarHBondContact O-N 3.49Å; K1935-N1939 WeakPolarHBondContact O-CB 3.5Å; K1935-N1939 PolarHBondContact O-N 2.92Å; K1935-N1939 PolarHBondContact O-ND2 2.84Å; K1935-N1976 WeakPolarHBondContact CE-OD1 3.48Å
1936V82.4Confident81.7Confident80 Ų8067.8 Ų67.849%0.48536%0.361SS..Hα-helixtrans-62.7-48.3173.1170.50000109.9I1932 A1933 F1934 M1938 N1939 I1940I1932-V1936 HydrophobicContact CG2-CG2 4.43Å; I1932-V1936 WeakPolarHBondContact O-CG2 3.38Å; I1932-V1936 PolarHBondContact O-N 3.44Å; A1933-V1936 PolarHBondContact O-N 3.46Å; F1934-V1936 VanDerWaalsContact C-N 3.34Å; F1934-V1936 PolarHBondContact O-N 2.84Å; V1936-M1938 VanDerWaalsContact C-N 3.3Å; V1936-M1938 PolarHBondContact O-N 3.49Å; V1936-N1939 PolarHBondContact O-N 2.84Å; V1936-I1940 HydrophobicContact CG1-CD1 4.49Å; V1936-I1940 WeakPolarHBondContact O-CG1 3.4Å; V1936-I1940 PolarHBondContact O-N 3.45Å; V1936-I1940 VanDerWaalsContact O-N 3.15Å
1937F83.4Confident82.2Confident23 Ų2368.6 Ų68.610%0.10136%0.364CS..Hα-helixtrans-54.1-44.5175.2172-86.5000112.3L1922 A1933 F1934 N1939 I1940 L1943 F1944L1922-F1937 HydrophobicContact CD1-CB 3.78Å; L1922-F1937 HydrophobicContact CD1-CD2 3.99Å; L1922-F1937 HydrophobicContact CD1-CG 3.96Å; A1933-F1937 WeakPolarHBondContact O-CB 3.14Å; A1933-F1937 PolarHBondContact O-N 2.97Å; F1934-F1937 HydrophobicContact CD2-CD1 4.46Å; F1934-F1937 HydrophobicContact CE2-CD1 4.42Å; F1934-F1937 WeakPolarHBondContact O-CB 3.4Å; F1934-F1937 PolarHBondContact O-N 3.3Å; F1937-N1939 VanDerWaalsContact C-N 3.33Å; F1937-N1939 PolarHBondContact O-N 2.95Å; F1937-I1940 PolarHBondContact O-N 2.94Å; F1937-L1943 HydrophobicContact CD2-CD2 3.37Å; F1937-L1943 HydrophobicContact CE1-CD2 4.32Å; F1937-L1943 HydrophobicContact CE2-CD2 2.98Å; F1937-L1943 HydrophobicContact CE2-CG 4.48Å; F1937-L1943 HydrophobicContact CG-CD2 4.18Å; F1937-L1943 HydrophobicContact CZ-CD2 3.48Å; F1937-L1943 VanDerWaalsContact CZ-CD2 3.48Å; F1937-F1944 HydrophobicContact CE1-CD2 4.16Å
1938M82.1Confident82.9Confident58 Ų5867.1 Ų67.129%0.28635%0.349SS..Hα-helixtrans-67.7-28.8176.5-70.1-64.2-65.300113.6F1934 K1935 V1936 F1944 A1972F1934-M1938 HydrophobicContact CD1-CG 4.29Å; F1934-M1938 HydrophobicContact CE1-CG 3.99Å; F1934-M1938 HydrophobicContact CE1-SD 4.43Å; F1934-M1938 HydrophobicContact CZ-CG 4.2Å; F1934-M1938 HydrophobicContact CZ-SD 4.16Å; F1934-M1938 WeakPolarHBondContact O-CG 3.41Å; F1934-M1938 PolarHBondContact O-N 2.88Å; K1935-M1938 PolarHBondContact O-N 3.49Å; V1936-M1938 VanDerWaalsContact C-N 3.3Å; V1936-M1938 PolarHBondContact O-N 3.49Å; M1938-F1944 HydrophobicContact CE-CD1 4.1Å; M1938-F1944 HydrophobicContact CE-CD2 3.91Å; M1938-F1944 HydrophobicContact CE-CE1 4.13Å; M1938-F1944 HydrophobicContact CE-CE2 3.94Å; M1938-F1944 HydrophobicContact CE-CG 3.98Å; M1938-F1944 HydrophobicContact CE-CZ 4.05Å; M1938-F1944 HydrophobicContact SD-CB 4.28Å; M1938-F1944 HydrophobicContact SD-CD1 4.48Å; M1938-F1944 HydrophobicContact SD-CD2 3.31Å; M1938-F1944 WeakPolarHBondContact SD-CD2 3.3Å; M1938-F1944 HydrophobicContact SD-CE2 3.65Å; M1938-F1944 HydrophobicContact SD-CG 3.78Å; M1938-F1944 HydrophobicContact SD-CZ 4.36Å; M1938-A1972 HydrophobicContact CE-CB 4.16Å; M1938-A1972 HydrophobicContact SD-CB 4.26Å
1939N82.2Confident83.6Confident133 Ų13364.6 Ų64.671%0.71134%0.342SS*.Hα-helixtrans-84.1-12.6179.9-73.7-32.1000113.4K1935 V1936 F1937K1935-N1939 WeakPolarHBondContact O-CB 3.5Å; K1935-N1939 PolarHBondContact O-N 2.92Å; K1935-N1939 PolarHBondContact O-ND2 2.84Å; V1936-N1939 PolarHBondContact O-N 2.84Å; F1937-N1939 VanDerWaalsContact C-N 3.33Å; F1937-N1939 PolarHBondContact O-N 2.95Å
1940I82.2Confident84.3Confident74 Ų7460.1 Ų60.138%0.37931%0.314SS..SBendtrans-72.8120.8176.6-65166000108.5V1936 F1937 F1942 L1943V1936-I1940 HydrophobicContact CG1-CD1 4.49Å; V1936-I1940 WeakPolarHBondContact O-CG1 3.4Å; V1936-I1940 PolarHBondContact O-N 3.45Å; V1936-I1940 VanDerWaalsContact O-N 3.15Å; F1937-I1940 PolarHBondContact O-N 2.94Å; I1940-F1942 PolarHBondContact O-N 3.22Å; I1940-L1943 HydrophobicContact CB-CB 3.95Å; I1940-L1943 HydrophobicContact CB-CD1 4.36Å; I1940-L1943 HydrophobicContact CD1-CD1 4.16Å; I1940-L1943 HydrophobicContact CG2-CB 3.62Å; I1940-L1943 HydrophobicContact CG2-CD1 3.84Å; I1940-L1943 HydrophobicContact CG2-CG 4.35Å; I1940-L1943 PolarHBondContact O-N 3.43Å
1941P81.4Confident84.6Confident100 Ų10059.4 Ų59.465%0.64931%0.31SS*.THydrogen-bonded Turntrans-60.8139.2-175.125.8-34.6000110.8L1943P1941-L1943 PolarHBondContact O-N 3.45Å
1942F84.3Confident84.9Confident169 Ų16962.4 Ų62.474%0.74132%0.32SS*.THydrogen-bonded Turntrans61.1-11.3-178.4-49.5-69.6000116.5I1940 E1945 L1946I1940-F1942 PolarHBondContact O-N 3.22Å; F1942-E1945 PolarHBondContact O-N 3.05Å; F1942-L1946 WeakPolarHBondContact O-CA 3.41Å; F1942-L1946 WeakPolarHBondContact O-CB 3.38Å; F1942-L1946 PolarHBondContact O-N 3.41Å
1943L83.5Confident85.2Confident39 Ų3962 Ų6220%0.20432%0.322CS..Hα-helixtrans-72.9-43-173.2-168.9149.8000112.4F1937 I1940 P1941 R1947F1937-L1943 HydrophobicContact CD2-CD2 3.37Å; F1937-L1943 HydrophobicContact CE1-CD2 4.32Å; F1937-L1943 HydrophobicContact CE2-CD2 2.98Å; F1937-L1943 HydrophobicContact CE2-CG 4.48Å; F1937-L1943 HydrophobicContact CG-CD2 4.18Å; F1937-L1943 HydrophobicContact CZ-CD2 3.48Å; F1937-L1943 VanDerWaalsContact CZ-CD2 3.48Å; I1940-L1943 HydrophobicContact CB-CB 3.95Å; I1940-L1943 HydrophobicContact CB-CD1 4.36Å; I1940-L1943 HydrophobicContact CD1-CD1 4.16Å; I1940-L1943 HydrophobicContact CG2-CB 3.62Å; I1940-L1943 HydrophobicContact CG2-CD1 3.84Å; I1940-L1943 HydrophobicContact CG2-CG 4.35Å; I1940-L1943 PolarHBondContact O-N 3.43Å; P1941-L1943 PolarHBondContact O-N 3.45Å; L1943-R1947 VanDerWaalsContact O-CB 3.22Å; L1943-R1947 WeakPolarHBondContact O-CB 3.29Å; L1943-R1947 PolarHBondContact O-N 2.82Å
1944F85.3Confident85.5Confident13 Ų1364.1 Ų64.16%0.05732%0.322CS..Hα-helixtrans-60.2-50.7171.5175.8-107000110.7F1937 M1938 L1946 R1947 T1948 E1968 N1969F1937-F1944 HydrophobicContact CE1-CD2 4.16Å; M1938-F1944 HydrophobicContact CE-CD1 4.1Å; M1938-F1944 HydrophobicContact CE-CD2 3.91Å; M1938-F1944 HydrophobicContact CE-CE1 4.13Å; M1938-F1944 HydrophobicContact CE-CE2 3.94Å; M1938-F1944 HydrophobicContact CE-CG 3.98Å; M1938-F1944 HydrophobicContact CE-CZ 4.05Å; M1938-F1944 HydrophobicContact SD-CB 4.28Å; M1938-F1944 HydrophobicContact SD-CD1 4.48Å; M1938-F1944 HydrophobicContact SD-CD2 3.31Å; M1938-F1944 WeakPolarHBondContact SD-CD2 3.3Å; M1938-F1944 HydrophobicContact SD-CE2 3.65Å; M1938-F1944 HydrophobicContact SD-CG 3.78Å; M1938-F1944 HydrophobicContact SD-CZ 4.36Å; F1944-L1946 PolarHBondContact O-N 3.08Å; F1944-R1947 PolarHBondContact O-N 3.07Å; F1944-T1948 HydrophobicContact CD2-CG2 4.26Å; F1944-T1948 HydrophobicContact CE1-CG2 4.36Å; F1944-T1948 HydrophobicContact CE2-CG2 3.92Å; F1944-T1948 HydrophobicContact CZ-CG2 3.98Å; F1944-T1948 WeakPolarHBondContact O-CG2 3.49Å; F1944-T1948 PolarHBondContact O-N 2.95Å; F1944-T1948 PolarHBondContact O-OG1 3.06Å; F1944-T1948 VanDerWaalsContact O-OG1 3.07Å; F1944-E1968 HydrophobicContact CE2-CB 4.42Å; F1944-E1968 HydrophobicContact CZ-CB 4.05Å; F1944-N1969 WeakPolarHBondContact CE1-OD1 3.43Å; F1944-N1969 WeakPolarHBondContact CZ-OD1 3.46Å
1945E86.1Confident85.4Confident94 Ų9466 Ų6644%0.43933%0.334SS..Hα-helixtrans-62.5-43.5-178.5-55.2-65.5148.400113.4F1942 T1948 A1949 F1965F1942-E1945 PolarHBondContact O-N 3.05Å; E1945-T1948 PolarHBondContact O-OG1 3.23Å; E1945-A1949 VanDerWaalsContact O-CB 3.26Å; E1945-A1949 WeakPolarHBondContact O-CB 3.48Å; E1945-A1949 PolarHBondContact O-N 3.22Å; E1945-F1965 HydrophobicContact CB-CE1 4.49Å; E1945-F1965 WeakPolarHBondContact OE2-CE1 3.34Å; E1945-F1965 WeakPolarHBondContact OE2-CZ 3.49Å
1946L85.8Confident85.5Confident92 Ų9264.8 Ų64.848%0.48233%0.332SS..Hα-helixtrans-67.3-43.4177.9-173.480.3000109.6F1942 F1944 A1949 I1950F1942-L1946 WeakPolarHBondContact O-CA 3.41Å; F1942-L1946 WeakPolarHBondContact O-CB 3.38Å; F1942-L1946 PolarHBondContact O-N 3.41Å; F1944-L1946 PolarHBondContact O-N 3.08Å; L1946-A1949 PolarHBondContact O-N 3.34Å; L1946-I1950 HydrophobicContact CD1-CD1 4.42Å; L1946-I1950 HydrophobicContact CD2-CD1 4.04Å; L1946-I1950 HydrophobicContact CG-CD1 3.71Å; L1946-I1950 HydrophobicContact CG-CG1 4.27Å; L1946-I1950 VanDerWaalsContact O-CB 3.27Å; L1946-I1950 WeakPolarHBondContact O-CB 3.2Å; L1946-I1950 WeakPolarHBondContact O-CG1 3.46Å; L1946-I1950 PolarHBondContact O-N 3.18Å
1947R86.6Confident85.7Confident51 Ų5162.5 Ų62.519%0.19232%0.318CS..Hα-helixtrans-60.2-51.7176.5175.4-169166.4178-7.5111.2N1920 L1943 F1944 A1949 I1950 D1951N1920-R1947 VanDerWaalsContact CG-NH1 3.3Å; N1920-R1947 PolarHBondContact ND2-NH1 3.29Å; L1943-R1947 VanDerWaalsContact O-CB 3.22Å; L1943-R1947 WeakPolarHBondContact O-CB 3.29Å; L1943-R1947 PolarHBondContact O-N 2.82Å; F1944-R1947 PolarHBondContact O-N 3.07Å; R1947-A1949 VanDerWaalsContact C-N 3.28Å; R1947-A1949 PolarHBondContact O-N 3.47Å; R1947-I1950 PolarHBondContact O-N 3.4Å; R1947-D1951 WeakPolarHBondContact CG-OD2 3.32Å; R1947-D1951 IonicContact NE-OD2 3.22Å; R1947-D1951 PolarHBondContact NE-OD2 3.32Å; R1947-D1951 VanDerWaalsContact NE-OD2 3.15Å; R1947-D1951 WeakPolarHBondContact O-CB 3.42Å; R1947-D1951 PolarHBondContact O-N 3.45Å
1948T87.3Confident85.9Confident1 Ų163 Ų631%0.00633%0.325CS..Hα-helixtrans-63.3-37.6-177.450.30000111.2F1944 E1945 W1952 F1964 F1965 E1968F1944-T1948 HydrophobicContact CD2-CG2 4.26Å; F1944-T1948 HydrophobicContact CE1-CG2 4.36Å; F1944-T1948 HydrophobicContact CE2-CG2 3.92Å; F1944-T1948 HydrophobicContact CZ-CG2 3.98Å; F1944-T1948 WeakPolarHBondContact O-CG2 3.49Å; F1944-T1948 PolarHBondContact O-N 2.95Å; F1944-T1948 PolarHBondContact O-OG1 3.06Å; F1944-T1948 VanDerWaalsContact O-OG1 3.07Å; E1945-T1948 PolarHBondContact O-OG1 3.23Å; T1948-W1952 VanDerWaalsContact O-CB 3.31Å; T1948-W1952 WeakPolarHBondContact O-CB 3.37Å; T1948-W1952 PolarHBondContact O-N 2.89Å; T1948-F1964 WeakPolarHBondContact O-CE1 3.45Å; T1948-F1965 WeakPolarHBondContact OG1-CE1 3.44Å; T1948-F1965 WeakPolarHBondContact OG1-CZ 3.08Å; T1948-E1968 HydrophobicContact CG2-CB 3.94Å; T1948-E1968 HydrophobicContact CG2-CG 3.81Å
1949A89.1Confident86.1Confident35 Ų3560.5 Ų60.529%0.28931%0.313SS..Hα-helixtrans-63.7-46.5172.600000112.3E1945 L1946 R1947 W1952 T1953E1945-A1949 VanDerWaalsContact O-CB 3.26Å; E1945-A1949 WeakPolarHBondContact O-CB 3.48Å; E1945-A1949 PolarHBondContact O-N 3.22Å; L1946-A1949 PolarHBondContact O-N 3.34Å; R1947-A1949 VanDerWaalsContact C-N 3.28Å; R1947-A1949 PolarHBondContact O-N 3.47Å; A1949-W1952 PolarHBondContact O-N 2.94Å; A1949-T1953 WeakPolarHBondContact O-CG2 3.41Å; A1949-T1953 PolarHBondContact O-N 3.15Å; A1949-T1953 PolarHBondContact O-OG1 3.27Å
1950I88.4Confident86.4Confident18 Ų1856.6 Ų56.69%0.09230%0.295CS..Hα-helixtrans-60.7-53.2176.8-71.2172.3000109.8I1844 R1847 L1851 L1946 R1947 W1952 T1953 W1954I1844-I1950 HydrophobicContact CG1-CD1 4.13Å; R1847-I1950 HydrophobicContact CB-CG2 4.24Å; R1847-I1950 HydrophobicContact CG-CG2 3.48Å; R1847-I1950 VanDerWaalsContact CG-CG2 3.48Å; L1851-I1950 HydrophobicContact CD1-CG2 4.43Å; L1946-I1950 HydrophobicContact CD1-CD1 4.42Å; L1946-I1950 HydrophobicContact CD2-CD1 4.04Å; L1946-I1950 HydrophobicContact CG-CD1 3.71Å; L1946-I1950 HydrophobicContact CG-CG1 4.27Å; L1946-I1950 VanDerWaalsContact O-CB 3.27Å; L1946-I1950 WeakPolarHBondContact O-CB 3.2Å; L1946-I1950 WeakPolarHBondContact O-CG1 3.46Å; L1946-I1950 PolarHBondContact O-N 3.18Å; R1947-I1950 PolarHBondContact O-N 3.4Å; I1950-W1952 VanDerWaalsContact C-N 3.27Å; I1950-W1952 PolarHBondContact O-N 3.43Å; I1950-T1953 WeakPolarHBondContact CA-OG1 3.33Å; I1950-T1953 PolarHBondContact O-N 2.97Å; I1950-T1953 PolarHBondContact O-OG1 3.42Å; I1950-W1954 HydrophobicContact CB-CE3 3.97Å; I1950-W1954 HydrophobicContact CB-CZ3 3.61Å; I1950-W1954 HydrophobicContact CG1-CZ3 3.69Å; I1950-W1954 HydrophobicContact CG2-CE3 3.36Å; I1950-W1954 HydrophobicContact CG2-CZ3 3.34Å; I1950-W1954 PolarHBondContact O-N 3.14Å; I1950-W1954 VanDerWaalsContact O-N 3.12Å
1951D87Confident86.7Confident13 Ų1355.7 Ų55.77%0.0729%0.29CS..Hα-helixtrans-58.5-39.2-179.1-71.2-11.6000110.6R1847 R1947 T1955 F1964R1847-D1951 IonicContact CZ-OD1 3.6Å; R1847-D1951 IonicContact NE-OD1 3.97Å; R1847-D1951 PolarHBondContact NE-OD1 3.1Å; R1847-D1951 IonicContact NH2-OD1 3.97Å; R1847-D1951 PolarHBondContact NH2-OD1 2.92Å; R1847-D1951 IonicContact NH2-OD2 3.73Å; R1847-D1951 PolarHBondContact NH2-OD2 2.97Å; R1847-D1951 VanDerWaalsContact NH2-OD2 3.14Å; R1947-D1951 WeakPolarHBondContact CG-OD2 3.32Å; R1947-D1951 IonicContact NE-OD2 3.22Å; R1947-D1951 PolarHBondContact NE-OD2 3.32Å; R1947-D1951 VanDerWaalsContact NE-OD2 3.15Å; R1947-D1951 WeakPolarHBondContact O-CB 3.42Å; R1947-D1951 PolarHBondContact O-N 3.45Å; D1951-T1955 WeakPolarHBondContact O-CB 3.25Å; D1951-T1955 PolarHBondContact O-N 3.2Å; D1951-T1955 PolarHBondContact O-OG1 3.22Å; D1951-F1964 HydrophobicContact CB-CZ 4.38Å
1952W90.4Very high87.1Confident92 Ų9258.6 Ų58.635%0.34829%0.293SS..Hα-helixtrans-64.6-40172.5177.181.8000113.4T1948 A1949 I1950 M1959 L1961 F1964T1948-W1952 VanDerWaalsContact O-CB 3.31Å; T1948-W1952 WeakPolarHBondContact O-CB 3.37Å; T1948-W1952 PolarHBondContact O-N 2.89Å; A1949-W1952 PolarHBondContact O-N 2.94Å; I1950-W1952 VanDerWaalsContact C-N 3.27Å; I1950-W1952 PolarHBondContact O-N 3.43Å; W1952-M1959 PolarHBondContact NE1-O 2.98Å; W1952-M1959 VanDerWaalsContact NE1-O 3.14Å; W1952-L1961 HydrophobicContact CB-CD1 4.21Å; W1952-L1961 HydrophobicContact CD2-CB 4.4Å; W1952-L1961 HydrophobicContact CD2-CD1 3.58Å; W1952-L1961 HydrophobicContact CE3-CD1 3.61Å; W1952-L1961 HydrophobicContact CG-CD1 3.85Å; W1952-L1961 HydrophobicContact CZ2-CB 4.23Å; W1952-L1961 HydrophobicContact CZ3-CD1 4.21Å; W1952-F1964 HydrophobicContact CB-CD1 4.13Å; W1952-F1964 HydrophobicContact CB-CD2 4.45Å; W1952-F1964 HydrophobicContact CB-CE1 4.16Å; W1952-F1964 HydrophobicContact CB-CE2 4.44Å; W1952-F1964 HydrophobicContact CB-CG 4.28Å; W1952-F1964 HydrophobicContact CB-CZ 4.32Å; W1952-F1964 AromaticContact CD1-CD2 3.94Å; W1952-F1964 AromaticContact CD1-CG 3.96Å; W1952-F1964 HydrophobicContact CG-CG 4.48Å
1953T90Very high87.4Confident76 Ų7651 Ų5147%0.46626%0.26SS..Hα-helixtrans-71-31.1-178.851.30000115A1949 I1950A1949-T1953 WeakPolarHBondContact O-CG2 3.41Å; A1949-T1953 PolarHBondContact O-N 3.15Å; A1949-T1953 PolarHBondContact O-OG1 3.27Å; I1950-T1953 WeakPolarHBondContact CA-OG1 3.33Å; I1950-T1953 PolarHBondContact O-N 2.97Å; I1950-T1953 PolarHBondContact O-OG1 3.42Å
1954W87.1Confident87.7Confident79 Ų7949.2 Ų49.230%0.29925%0.251SS..Hα-helixtrans-107.4-5.8-176.8-71.9-74.9000114.5I1844 A1848 L1851 I1950I1844-W1954 HydrophobicContact CG2-CH2 3.63Å; I1844-W1954 HydrophobicContact CG2-CZ2 4.28Å; I1844-W1954 HydrophobicContact CG2-CZ3 4.31Å; A1848-W1954 HydrophobicContact CB-CD2 3.85Å; A1848-W1954 HydrophobicContact CB-CE3 4.48Å; A1848-W1954 HydrophobicContact CB-CG 4.15Å; A1848-W1954 HydrophobicContact CB-CZ2 3.98Å; L1851-W1954 HydrophobicContact CB-CB 4.08Å; L1851-W1954 HydrophobicContact CD1-CB 3.76Å; I1950-W1954 HydrophobicContact CB-CE3 3.97Å; I1950-W1954 HydrophobicContact CB-CZ3 3.61Å; I1950-W1954 HydrophobicContact CG1-CZ3 3.69Å; I1950-W1954 HydrophobicContact CG2-CE3 3.36Å; I1950-W1954 HydrophobicContact CG2-CZ3 3.34Å; I1950-W1954 PolarHBondContact O-N 3.14Å; I1950-W1954 VanDerWaalsContact O-N 3.12Å
1955T84.3Confident88Confident46 Ų4650 Ų5028%0.28225%0.254SS..SBendtrans-101.4134.4174.5-49.40000110.2D1951 T1957 R2363D1951-T1955 WeakPolarHBondContact O-CB 3.25Å; D1951-T1955 PolarHBondContact O-N 3.2Å; D1951-T1955 PolarHBondContact O-OG1 3.22Å; T1955-T1957 PolarHBondContact O-N 2.92Å; T1955-R2363 HydrophobicContact CG2-CG 4.23Å
1956D86.3Confident88.2Confident74 Ų7448.9 Ų48.940%0.39625%0.251SS..  trans-69.7115.8173.8-56-27.5000109K2366 F2368D1956-K2366 WeakPolarHBondContact OD2-CE 3.03Å; D1956-K2366 IonicContact OD2-NZ 3.78Å; D1956-K2366 PolarHBondContact OD2-NZ 3.27Å; D1956-F2368 HydrophobicContact CB-CE1 4.46Å; D1956-F2368 HydrophobicContact CB-CZ 3.98Å; D1956-F2368 WeakPolarHBondContact O-CE1 3.43Å
1957T88.1Confident88.4Confident32 Ų3244.5 Ų44.520%0.19623%0.228CC..  trans-148.1154.5178.2177.90000111.1T1955 M1959 F1964 E2371T1955-T1957 PolarHBondContact O-N 2.92Å; T1957-M1959 PolarHBondContact OG1-N 2.96Å; T1957-F1964 HydrophobicContact CG2-CD2 4.28Å; T1957-F1964 HydrophobicContact CG2-CE2 4.43Å; T1957-E2371 VanDerWaalsContact OG1-CD 3.32Å; T1957-E2371 PolarHBondContact OG1-OE1 3.49Å; T1957-E2371 PolarHBondContact OG1-OE2 3.36Å
1958S86.7Confident88.5Confident35 Ų3542.6 Ų42.625%0.24522%0.222CC..SBendtrans-96.9-6.4176.468.30000114.7F2368 E2371 Q2372S1958-F2368 PolarHBondContact OG-O 3.39Å; S1958-E2371 PolarHBondContact N-OE2 2.86Å; S1958-E2371 PolarHBondContact OG-OE2 3.45Å; S1958-Q2372 WeakPolarHBondContact OG-CG 2.95Å; S1958-Q2372 PolarHBondContact OG-NE2 2.87Å; S1958-Q2372 VanDerWaalsContact OG-NE2 3.16Å
1959M85.5Confident88.6Confident4 Ų445.9 Ų45.92%0.0224%0.239CC..SBendtrans-78.3136.9179.3-61.2-169.6-16900111.5W1952 T1957 I2359 E2371 F2375W1952-M1959 PolarHBondContact NE1-O 2.98Å; W1952-M1959 VanDerWaalsContact NE1-O 3.14Å; T1957-M1959 PolarHBondContact OG1-N 2.96Å; M1959-I2359 HydrophobicContact CE-CG2 3.73Å; M1959-E2371 HydrophobicContact CE-CG 3.41Å; M1959-E2371 VanDerWaalsContact CE-CG 3.41Å; M1959-E2371 HydrophobicContact CG-CG 4.33Å; M1959-F2375 HydrophobicContact CE-CB 3.51Å; M1959-F2375 HydrophobicContact CE-CD1 4.42Å; M1959-F2375 HydrophobicContact CE-CD2 3.92Å; M1959-F2375 HydrophobicContact CE-CG 3.71Å; M1959-F2375 HydrophobicContact SD-CB 4.48Å; M1959-F2375 HydrophobicContact SD-CD1 4.37Å; M1959-F2375 HydrophobicContact SD-CD2 4.08Å; M1959-F2375 HydrophobicContact SD-CE2 4.41Å; M1959-F2375 HydrophobicContact SD-CG 4.06Å
1960P89.9Confident88.6Confident51 Ų5146.7 Ų46.733%0.33124%0.236SC..  trans-66.3155.9168.430.1-32.6000110.5Y1352 F1962 D1963 F1964Y1352-P1960 HydrophobicContact CD1-CG 4.37Å; Y1352-P1960 HydrophobicContact CE1-CG 3.55Å; Y1352-P1960 WeakPolarHBondContact OH-CD 3.34Å; P1960-F1962 PolarHBondContact O-N 3.26Å; P1960-D1963 HydrophobicContact CG-CB 3.93Å; P1960-D1963 WeakPolarHBondContact CG-OD2 3.28Å; P1960-D1963 PolarHBondContact O-N 2.94Å; P1960-F1964 PolarHBondContact O-N 3.47Å
1961L87.9Confident88.6Confident55 Ų5546.7 Ų46.729%0.28824%0.235SC..Hα-helixtrans-47.1-51.4-174.7-175.771.9000113.4W1952 D1963 F1964 F1965W1952-L1961 HydrophobicContact CB-CD1 4.21Å; W1952-L1961 HydrophobicContact CD2-CB 4.4Å; W1952-L1961 HydrophobicContact CD2-CD1 3.58Å; W1952-L1961 HydrophobicContact CE3-CD1 3.61Å; W1952-L1961 HydrophobicContact CG-CD1 3.85Å; W1952-L1961 HydrophobicContact CZ2-CB 4.23Å; W1952-L1961 HydrophobicContact CZ3-CD1 4.21Å; L1961-D1963 VanDerWaalsContact C-N 3.31Å; L1961-D1963 PolarHBondContact O-N 3.3Å; L1961-F1964 WeakPolarHBondContact O-CB 3.33Å; L1961-F1964 PolarHBondContact O-N 3.41Å; L1961-F1965 HydrophobicContact CD1-CD2 4.12Å; L1961-F1965 HydrophobicContact CD1-CE2 3.74Å; L1961-F1965 HydrophobicContact CD2-CE2 4.28Å; L1961-F1965 HydrophobicContact CG-CD2 3.89Å; L1961-F1965 HydrophobicContact CG-CE2 3.78Å; L1961-F1965 VanDerWaalsContact O-CD2 3.26Å; L1961-F1965 WeakPolarHBondContact O-CD2 3.34Å; L1961-F1965 PolarHBondContact O-N 3.41Å
1962F89.5Confident88.7Confident161 Ų16146.3 Ų46.371%0.70623%0.234SC*.Hα-helixtrans-65.7-30.5-177.5-67.5-66.2000113.9P1960 F1965 N1966P1960-F1962 PolarHBondContact O-N 3.26Å; F1962-F1965 WeakPolarHBondContact O-CB 3.12Å; F1962-N1966 VanDerWaalsContact O-CG 3.24Å; F1962-N1966 PolarHBondContact O-N 3.3Å; F1962-N1966 PolarHBondContact O-ND2 3.5Å
1963D90.3Very high88.6Confident10 Ų1045.3 Ų45.35%0.05323%0.233CC..Hα-helixtrans-79.4-32.7177.1-75-32000111.5Y1352 K1356 P1960 L1961 N1966 M1967 F2375Y1352-D1963 WeakPolarHBondContact CE1-OD2 3.4Å; Y1352-D1963 WeakPolarHBondContact OH-CB 3.46Å; Y1352-D1963 PolarHBondContact OH-OD2 3.18Å; K1356-D1963 WeakPolarHBondContact CE-OD1 3.44Å; K1356-D1963 IonicContact NZ-OD1 3.07Å; K1356-D1963 PolarHBondContact NZ-OD1 2.86Å; K1356-D1963 IonicContact NZ-OD2 3.81Å; K1356-D1963 PolarHBondContact NZ-OD2 3.01Å; P1960-D1963 HydrophobicContact CG-CB 3.93Å; P1960-D1963 WeakPolarHBondContact CG-OD2 3.28Å; P1960-D1963 PolarHBondContact O-N 2.94Å; L1961-D1963 VanDerWaalsContact C-N 3.31Å; L1961-D1963 PolarHBondContact O-N 3.3Å; D1963-N1966 PolarHBondContact O-N 3.45Å; D1963-N1966 PolarHBondContact OD1-ND2 2.93Å; D1963-M1967 PolarHBondContact O-N 2.75Å; D1963-F2375 HydrophobicContact CB-CE1 3.62Å; D1963-F2375 HydrophobicContact CB-CZ 3.65Å; D1963-F2375 WeakPolarHBondContact O-CZ 3.43Å
1964F90.5Very high88.5Confident2 Ų241.7 Ų41.71%0.00921%0.211CC..Hα-helixtrans-59.6-46.1166.3-170.1-82.5000111.2T1948 D1951 W1952 T1957 P1960 L1961 N1966 M1967 E1968 R2363T1948-F1964 WeakPolarHBondContact O-CE1 3.45Å; D1951-F1964 HydrophobicContact CB-CZ 4.38Å; W1952-F1964 HydrophobicContact CB-CD1 4.13Å; W1952-F1964 HydrophobicContact CB-CD2 4.45Å; W1952-F1964 HydrophobicContact CB-CE1 4.16Å; W1952-F1964 HydrophobicContact CB-CE2 4.44Å; W1952-F1964 HydrophobicContact CB-CG 4.28Å; W1952-F1964 HydrophobicContact CB-CZ 4.32Å; W1952-F1964 AromaticContact CD1-CD2 3.94Å; W1952-F1964 AromaticContact CD1-CG 3.96Å; W1952-F1964 HydrophobicContact CG-CG 4.48Å; T1957-F1964 HydrophobicContact CG2-CD2 4.28Å; T1957-F1964 HydrophobicContact CG2-CE2 4.43Å; P1960-F1964 PolarHBondContact O-N 3.47Å; L1961-F1964 WeakPolarHBondContact O-CB 3.33Å; L1961-F1964 PolarHBondContact O-N 3.41Å; F1964-N1966 VanDerWaalsContact C-N 3.35Å; F1964-N1966 PolarHBondContact O-N 3.47Å; F1964-M1967 PolarHBondContact O-N 3.36Å; F1964-E1968 HydrophobicContact CD1-CG 4.01Å; F1964-E1968 HydrophobicContact CE1-CG 3.78Å; F1964-E1968 WeakPolarHBondContact O-CG 3.35Å; F1964-E1968 PolarHBondContact O-N 3.47Å; F1964-R2363 VanDerWaalsContact CE2-CZ 3.4Å
1965F92Very high88.6Confident29 Ų2938 Ų3813%0.12720%0.197CC..Hα-helixtrans-58-43.3173-91.9-75.9000112.8E1945 T1948 L1961 F1962 E1968 N1969E1945-F1965 HydrophobicContact CB-CE1 4.49Å; E1945-F1965 WeakPolarHBondContact OE2-CE1 3.34Å; E1945-F1965 WeakPolarHBondContact OE2-CZ 3.49Å; T1948-F1965 WeakPolarHBondContact OG1-CE1 3.44Å; T1948-F1965 WeakPolarHBondContact OG1-CZ 3.08Å; L1961-F1965 HydrophobicContact CD1-CD2 4.12Å; L1961-F1965 HydrophobicContact CD1-CE2 3.74Å; L1961-F1965 HydrophobicContact CD2-CE2 4.28Å; L1961-F1965 HydrophobicContact CG-CD2 3.89Å; L1961-F1965 HydrophobicContact CG-CE2 3.78Å; L1961-F1965 VanDerWaalsContact O-CD2 3.26Å; L1961-F1965 WeakPolarHBondContact O-CD2 3.34Å; L1961-F1965 PolarHBondContact O-N 3.41Å; F1962-F1965 WeakPolarHBondContact O-CB 3.12Å; F1965-E1968 PolarHBondContact O-N 3.02Å; F1965-N1969 WeakPolarHBondContact O-CB 3.42Å; F1965-N1969 VanDerWaalsContact O-CG 3.28Å; F1965-N1969 PolarHBondContact O-N 2.91Å; F1965-N1969 PolarHBondContact O-ND2 2.76Å
1966N89.8Confident88.8Confident70 Ų7037.4 Ų37.437%0.37419%0.192SC..Hα-helixtrans-63.3-42.6176.7-71.7-31000111.9F1962 D1963 F1964 N1969 F1970F1962-N1966 VanDerWaalsContact O-CG 3.24Å; F1962-N1966 PolarHBondContact O-N 3.3Å; F1962-N1966 PolarHBondContact O-ND2 3.5Å; D1963-N1966 PolarHBondContact O-N 3.45Å; D1963-N1966 PolarHBondContact OD1-ND2 2.93Å; F1964-N1966 VanDerWaalsContact C-N 3.35Å; F1964-N1966 PolarHBondContact O-N 3.47Å; N1966-N1969 PolarHBondContact O-N 2.97Å; N1966-F1970 HydrophobicContact CB-CE2 4.27Å; N1966-F1970 WeakPolarHBondContact O-CD2 3.48Å; N1966-F1970 VanDerWaalsContact O-CG 3.32Å; N1966-F1970 WeakPolarHBondContact O-CG 3.45Å; N1966-F1970 PolarHBondContact O-N 3.04Å
1967M88.6Confident88.9Confident0 Ų034.5 Ų34.50%018%0.176CC..Hα-helixtrans-60.6-48.1177.3-166-81.7-86.900111.7D1963 F1964 N1969 F1970 Y1971 I2359 Y2360 F2375D1963-M1967 PolarHBondContact O-N 2.75Å; F1964-M1967 PolarHBondContact O-N 3.36Å; M1967-N1969 VanDerWaalsContact C-N 3.34Å; M1967-N1969 PolarHBondContact O-N 3.37Å; M1967-F1970 PolarHBondContact O-N 2.93Å; M1967-Y1971 PolarHBondContact O-N 2.95Å; M1967-I2359 HydrophobicContact CE-CG2 3.74Å; M1967-I2359 HydrophobicContact CG-CD1 4.37Å; M1967-I2359 HydrophobicContact CG-CG2 4.37Å; M1967-I2359 HydrophobicContact SD-CG2 4.39Å; M1967-Y2360 HydrophobicContact CE-CD1 4Å; M1967-Y2360 HydrophobicContact CE-CE1 3.51Å; M1967-Y2360 HydrophobicContact SD-CE1 4.3Å; M1967-F2375 HydrophobicContact CB-CD2 4.18Å; M1967-F2375 HydrophobicContact CB-CE2 3.82Å; M1967-F2375 HydrophobicContact CG-CD2 4.19Å; M1967-F2375 HydrophobicContact CG-CE2 4.32Å
1968E89Confident89Confident12 Ų1234.4 Ų34.46%0.05617%0.173CC..Hα-helixtrans-62.3-40176.8-71.3-68147.400112F1944 T1948 F1964 F1965 Y1971 A1972 Y2360F1944-E1968 HydrophobicContact CE2-CB 4.42Å; F1944-E1968 HydrophobicContact CZ-CB 4.05Å; T1948-E1968 HydrophobicContact CG2-CB 3.94Å; T1948-E1968 HydrophobicContact CG2-CG 3.81Å; F1964-E1968 HydrophobicContact CD1-CG 4.01Å; F1964-E1968 HydrophobicContact CE1-CG 3.78Å; F1964-E1968 WeakPolarHBondContact O-CG 3.35Å; F1964-E1968 PolarHBondContact O-N 3.47Å; F1965-E1968 PolarHBondContact O-N 3.02Å; E1968-Y1971 PolarHBondContact O-N 2.9Å; E1968-A1972 WeakPolarHBondContact O-CB 3.47Å; E1968-A1972 PolarHBondContact O-N 3.06Å; E1968-Y2360 VanDerWaalsContact OE1-CE1 3.27Å; E1968-Y2360 WeakPolarHBondContact OE1-CE1 3.38Å; E1968-Y2360 PolarHBondContact OE1-OH 2.94Å; E1968-Y2360 PolarHBondContact OE2-OH 3.29Å
1969N89.4Confident89.1Confident70 Ų7032.8 Ų32.837%0.37416%0.162SC..Hα-helixtrans-63.3-41.5174.5-79.3-29.5000112.4F1944 F1965 N1966 M1967 A1972 H1973F1944-N1969 WeakPolarHBondContact CE1-OD1 3.43Å; F1944-N1969 WeakPolarHBondContact CZ-OD1 3.46Å; F1965-N1969 WeakPolarHBondContact O-CB 3.42Å; F1965-N1969 VanDerWaalsContact O-CG 3.28Å; F1965-N1969 PolarHBondContact O-N 2.91Å; F1965-N1969 PolarHBondContact O-ND2 2.76Å; N1966-N1969 PolarHBondContact O-N 2.97Å; M1967-N1969 VanDerWaalsContact C-N 3.34Å; M1967-N1969 PolarHBondContact O-N 3.37Å; N1969-A1972 PolarHBondContact O-N 3.42Å; N1969-H1973 PolarHBondContact O-N 3.05Å
1970F89.4Confident89.1Confident52 Ų5234.2 Ų34.223%0.22817%0.174CC..Hα-helixtrans-63.8-47.4175.1-66.8-44.5000111.5N1966 M1967 A1972 H1973 I1974 L2378 F2382N1966-F1970 HydrophobicContact CB-CE2 4.27Å; N1966-F1970 WeakPolarHBondContact O-CD2 3.48Å; N1966-F1970 VanDerWaalsContact O-CG 3.32Å; N1966-F1970 WeakPolarHBondContact O-CG 3.45Å; N1966-F1970 PolarHBondContact O-N 3.04Å; M1967-F1970 PolarHBondContact O-N 2.93Å; F1970-A1972 VanDerWaalsContact C-N 3.34Å; F1970-A1972 PolarHBondContact O-N 3.15Å; F1970-H1973 PolarHBondContact O-N 2.89Å; F1970-I1974 HydrophobicContact CB-CD1 4.44Å; F1970-I1974 WeakPolarHBondContact O-CB 2.97Å; F1970-I1974 WeakPolarHBondContact O-CD1 3.28Å; F1970-I1974 VanDerWaalsContact O-CG1 3.26Å; F1970-I1974 WeakPolarHBondContact O-CG1 3.28Å; F1970-I1974 PolarHBondContact O-N 3.19Å; F1970-L2378 HydrophobicContact CB-CD2 4.39Å; F1970-L2378 HydrophobicContact CD2-CD2 4.01Å; F1970-L2378 HydrophobicContact CD2-CG 4.48Å; F1970-F2382 HydrophobicContact CB-CE2 4.04Å; F1970-F2382 HydrophobicContact CB-CZ 4.39Å; F1970-F2382 HydrophobicContact CD1-CD1 4.48Å; F1970-F2382 AromaticContact CD1-CD2 3.92Å; F1970-F2382 HydrophobicContact CD1-CD2 3.92Å; F1970-F2382 HydrophobicContact CD1-CE1 4.28Å; F1970-F2382 AromaticContact CD1-CE2 3.68Å; F1970-F2382 HydrophobicContact CD1-CE2 3.68Å; F1970-F2382 HydrophobicContact CD1-CG 4.32Å; F1970-F2382 AromaticContact CD1-CZ 3.88Å; F1970-F2382 HydrophobicContact CD1-CZ 3.88Å; F1970-F2382 HydrophobicContact CD2-CD2 4.32Å; F1970-F2382 HydrophobicContact CD2-CE2 4.28Å; F1970-F2382 HydrophobicContact CE1-CD1 4.33Å; F1970-F2382 AromaticContact CE1-CD2 3.93Å; F1970-F2382 HydrophobicContact CE1-CD2 3.93Å; F1970-F2382 HydrophobicContact CE1-CE2 4.18Å; F1970-F2382 HydrophobicContact CE1-CG 4.02Å; F1970-F2382 HydrophobicContact CE1-CZ 4.49Å; F1970-F2382 HydrophobicContact CE2-CD2 4.32Å; F1970-F2382 HydrophobicContact CG-CD2 4.13Å; F1970-F2382 AromaticContact CG-CE2 3.75Å; F1970-F2382 HydrophobicContact CG-CE2 3.75Å; F1970-F2382 HydrophobicContact CG-CZ 4.27Å; F1970-F2382 HydrophobicContact CZ-CD2 4.14Å; F1970-F2382 HydrophobicContact CZ-CG 4.37Å
1971Y89.7Confident89Confident17 Ų1734.7 Ų34.77%0.06717%0.169CC..Hα-helixtrans-58-46.1176.5176-105.6000111.5T1923 M1967 E1968 H1973 I1974 F1975 L2353 C2356 L2357 Y2360T1923-Y1971 VanDerWaalsContact CB-OH 3.27Å; T1923-Y1971 WeakPolarHBondContact CB-OH 3.43Å; T1923-Y1971 HydrophobicContact CG2-CE1 4.07Å; T1923-Y1971 PolarHBondContact OG1-OH 3.39Å; M1967-Y1971 PolarHBondContact O-N 2.95Å; E1968-Y1971 PolarHBondContact O-N 2.9Å; Y1971-H1973 VanDerWaalsContact C-N 3.31Å; Y1971-H1973 PolarHBondContact O-N 3.4Å; Y1971-I1974 PolarHBondContact O-N 2.95Å; Y1971-F1975 WeakPolarHBondContact O-CB 3.4Å; Y1971-F1975 PolarHBondContact O-N 3.47Å; Y1971-L2353 HydrophobicContact CD2-CD1 3.96Å; Y1971-L2353 HydrophobicContact CE2-CD1 3.58Å; Y1971-C2356 HydrophobicContact CD2-CB 3.72Å; Y1971-L2357 HydrophobicContact CE2-CD2 4.44Å; Y1971-Y2360 HydrophobicContact CD1-CE2 4.28Å; Y1971-Y2360 AromaticContact CD2-CE2 3.97Å; Y1971-Y2360 HydrophobicContact CD2-CE2 3.97Å; Y1971-Y2360 HydrophobicContact CE1-CE2 4.4Å; Y1971-Y2360 HydrophobicContact CE2-CE2 4.06Å; Y1971-Y2360 HydrophobicContact CG-CE2 4.06Å
1972A88.2Confident88.7Confident5 Ų536.1 Ų36.14%0.04118%0.175CC..Hα-helixtrans-60.2-38.5177.400000112.8F1934 M1938 E1968 N1969 F1970 N1976F1934-A1972 HydrophobicContact CE1-CB 3.84Å; F1934-A1972 HydrophobicContact CZ-CB 3.7Å; M1938-A1972 HydrophobicContact CE-CB 4.16Å; M1938-A1972 HydrophobicContact SD-CB 4.26Å; E1968-A1972 WeakPolarHBondContact O-CB 3.47Å; E1968-A1972 PolarHBondContact O-N 3.06Å; N1969-A1972 PolarHBondContact O-N 3.42Å; F1970-A1972 VanDerWaalsContact C-N 3.34Å; F1970-A1972 PolarHBondContact O-N 3.15Å; A1972-N1976 PolarHBondContact O-N 3.47Å; A1972-N1976 PolarHBondContact O-ND2 2.96Å
1973H87.4Confident88.4Confident71 Ų7132 Ų3233%0.32916%0.156SC..Hα-helixtrans-70.9-47.7177.1-165.3-83.1000111.9N1969 F1970 Y1971 F1975 N1976 I1977 F2343N1969-H1973 PolarHBondContact O-N 3.05Å; F1970-H1973 PolarHBondContact O-N 2.89Å; Y1971-H1973 VanDerWaalsContact C-N 3.31Å; Y1971-H1973 PolarHBondContact O-N 3.4Å; H1973-F1975 PolarHBondContact O-N 3.16Å; H1973-N1976 PolarHBondContact O-N 3.03Å; H1973-I1977 WeakPolarHBondContact ND1-CD1 3.45Å; H1973-I1977 WeakPolarHBondContact O-CG1 3.14Å; H1973-I1977 PolarHBondContact O-N 3.4Å; H1973-I1977 VanDerWaalsContact O-N 3.13Å; H1973-F2343 PolarHBondContact CE1-O 2.91Å
1974I89.4Confident88Confident1 Ų136.3 Ų36.31%0.00518%0.176CC..Hα-helixtrans-61.9-44178.3-67.4159.7000110.9F1970 Y1971 N1976 I1977 K1978 A2349 L2352 L2353 F2382F1970-I1974 HydrophobicContact CB-CD1 4.44Å; F1970-I1974 WeakPolarHBondContact O-CB 2.97Å; F1970-I1974 WeakPolarHBondContact O-CD1 3.28Å; F1970-I1974 VanDerWaalsContact O-CG1 3.26Å; F1970-I1974 WeakPolarHBondContact O-CG1 3.28Å; F1970-I1974 PolarHBondContact O-N 3.19Å; Y1971-I1974 PolarHBondContact O-N 2.95Å; I1974-N1976 VanDerWaalsContact C-N 3.33Å; I1974-N1976 PolarHBondContact O-N 2.72Å; I1974-I1977 PolarHBondContact O-N 3.42Å; I1974-I1977 VanDerWaalsContact O-N 3.15Å; I1974-K1978 PolarHBondContact O-N 2.82Å; I1974-A2349 HydrophobicContact CG2-CB 4.3Å; I1974-L2352 HydrophobicContact CD1-CB 3.72Å; I1974-L2352 HydrophobicContact CG1-CB 4.08Å; I1974-L2352 HydrophobicContact CG1-CD1 4.38Å; I1974-L2352 HydrophobicContact CG2-CB 4.05Å; I1974-L2353 HydrophobicContact CG2-CB 3.82Å; I1974-L2353 HydrophobicContact CG2-CD1 4.2Å; I1974-F2382 HydrophobicContact CD1-CE2 4.3Å; I1974-F2382 HydrophobicContact CD1-CZ 4Å; I1974-F2382 HydrophobicContact CG1-CZ 4.3Å
1975F88.7Confident87.3Confident0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-58.6-43.9176.7175.4-98000112L1922 T1923 Y1926 F1934 Y1971 H1973 I1977 K1978 C1979L1922-F1975 WeakPolarHBondContact O-CZ 3.34Å; T1923-F1975 VanDerWaalsContact CA-CE2 3.43Å; T1923-F1975 HydrophobicContact CG2-CD1 4.08Å; T1923-F1975 HydrophobicContact CG2-CD2 3.99Å; T1923-F1975 HydrophobicContact CG2-CE1 3.96Å; T1923-F1975 HydrophobicContact CG2-CE2 3.88Å; T1923-F1975 HydrophobicContact CG2-CG 4.1Å; T1923-F1975 HydrophobicContact CG2-CZ 3.86Å; Y1926-F1975 AromaticContact CD1-CD2 3.93Å; Y1926-F1975 HydrophobicContact CD1-CD2 3.93Å; Y1926-F1975 AromaticContact CD1-CE2 3.59Å; Y1926-F1975 HydrophobicContact CD1-CE2 3.59Å; Y1926-F1975 AromaticContact CE1-CD2 3.76Å; Y1926-F1975 HydrophobicContact CE1-CD2 3.76Å; Y1926-F1975 AromaticContact CE1-CE2 3.7Å; Y1926-F1975 HydrophobicContact CE1-CE2 3.7Å; F1934-F1975 HydrophobicContact CB-CD1 4.45Å; F1934-F1975 HydrophobicContact CB-CE1 3.84Å; F1934-F1975 AromaticContact CD1-CD1 3.53Å; F1934-F1975 HydrophobicContact CD1-CD1 3.53Å; F1934-F1975 AromaticContact CD1-CE1 3.81Å; F1934-F1975 HydrophobicContact CD1-CE1 3.81Å; F1934-F1975 HydrophobicContact CD2-CD1 4.41Å; F1934-F1975 HydrophobicContact CD2-CE1 4.29Å; F1934-F1975 AromaticContact CE1-CD1 3.78Å; F1934-F1975 HydrophobicContact CE1-CD1 3.78Å; F1934-F1975 HydrophobicContact CE1-CE1 4.46Å; F1934-F1975 AromaticContact CG-CD1 3.88Å; F1934-F1975 HydrophobicContact CG-CD1 3.88Å; F1934-F1975 AromaticContact CG-CE1 3.71Å; F1934-F1975 HydrophobicContact CG-CE1 3.71Å; F1934-F1975 HydrophobicContact CZ-CD1 4.33Å; Y1971-F1975 WeakPolarHBondContact O-CB 3.4Å; Y1971-F1975 PolarHBondContact O-N 3.47Å; H1973-F1975 PolarHBondContact O-N 3.16Å; F1975-I1977 VanDerWaalsContact C-N 3.32Å; F1975-I1977 PolarHBondContact O-N 3.23Å; F1975-K1978 PolarHBondContact O-N 3.18Å; F1975-C1979 VanDerWaalsContact CE1-SG 3.52Å; F1975-C1979 WeakPolarHBondContact CZ-SG 3.13Å; F1975-C1979 PolarHBondContact O-N 3.4Å; F1975-C1979 PolarHBondContact O-SG 3.22Å
1976N88.7Confident86.3Confident35 Ų3539 Ų3919%0.18721%0.205CC..Hα-helixtrans-61.9-39.4176-85.7-54.8000112.1K1935 A1972 H1973 I1974 A1980K1935-N1976 WeakPolarHBondContact CE-OD1 3.48Å; A1972-N1976 PolarHBondContact O-N 3.47Å; A1972-N1976 PolarHBondContact O-ND2 2.96Å; H1973-N1976 PolarHBondContact O-N 3.03Å; I1974-N1976 VanDerWaalsContact C-N 3.33Å; I1974-N1976 PolarHBondContact O-N 2.72Å; N1976-A1980 WeakPolarHBondContact O-CB 3.06Å; N1976-A1980 PolarHBondContact O-N 2.81Å
1977I89.1Confident85.7Confident12 Ų1238.6 Ų38.66%0.06220%0.198CC..Hα-helixtrans-66-46.6175.2-64165.7000110.4H1973 I1974 F1975 C1979 A1980 R1981 F2343 L2346 A2349H1973-I1977 WeakPolarHBondContact ND1-CD1 3.45Å; H1973-I1977 WeakPolarHBondContact O-CG1 3.14Å; H1973-I1977 PolarHBondContact O-N 3.4Å; H1973-I1977 VanDerWaalsContact O-N 3.13Å; I1974-I1977 PolarHBondContact O-N 3.42Å; I1974-I1977 VanDerWaalsContact O-N 3.15Å; F1975-I1977 VanDerWaalsContact C-N 3.32Å; F1975-I1977 PolarHBondContact O-N 3.23Å; I1977-C1979 VanDerWaalsContact C-N 3.29Å; I1977-C1979 PolarHBondContact O-N 3.33Å; I1977-A1980 WeakPolarHBondContact O-CB 3.33Å; I1977-A1980 PolarHBondContact O-N 3.35Å; I1977-R1981 HydrophobicContact CG2-CG 4.24Å; I1977-R1981 WeakPolarHBondContact O-CG 3.12Å; I1977-R1981 PolarHBondContact O-N 3.28Å; I1977-F2343 WeakPolarHBondContact CD1-O 3.36Å; I1977-L2346 HydrophobicContact CD1-CD1 4.08Å; I1977-L2346 HydrophobicContact CG2-CB 4.5Å; I1977-A2349 HydrophobicContact CB-CB 4.32Å; I1977-A2349 HydrophobicContact CG2-CB 3.85Å
1978K88.2Confident84.9Confident31 Ų3139.9 Ų39.914%0.13521%0.206CC..Hα-helixtrans-56.4-45.2177178.556.5165.6-179.60111.4Y1926 I1974 F1975 A1980 R1981 Q1982 D2350 L2353Y1926-K1978 HydrophobicContact CD1-CB 4.26Å; Y1926-K1978 HydrophobicContact CD1-CG 3.48Å; Y1926-K1978 VanDerWaalsContact CD1-CG 3.48Å; Y1926-K1978 HydrophobicContact CD2-CG 4.31Å; Y1926-K1978 HydrophobicContact CE1-CG 3.88Å; Y1926-K1978 HydrophobicContact CG-CG 3.74Å; I1974-K1978 PolarHBondContact O-N 2.82Å; F1975-K1978 PolarHBondContact O-N 3.18Å; K1978-A1980 PolarHBondContact O-N 3.43Å; K1978-R1981 PolarHBondContact O-N 2.96Å; K1978-Q1982 WeakPolarHBondContact O-CB 3.24Å; K1978-Q1982 PolarHBondContact O-N 3.33Å; K1978-D2350 WeakPolarHBondContact CD-OD1 3.42Å; K1978-D2350 WeakPolarHBondContact CE-OD1 3.42Å; K1978-D2350 IonicContact NZ-OD1 2.92Å; K1978-D2350 PolarHBondContact NZ-OD1 2.99Å; K1978-D2350 IonicContact NZ-OD2 3.2Å; K1978-D2350 PolarHBondContact NZ-OD2 3.47Å; K1978-L2353 HydrophobicContact CB-CD2 4.43Å; K1978-L2353 HydrophobicContact CG-CD2 4.07Å
1979C88.9Confident84.1Confident0 Ų043.1 Ų43.10%024%0.235CC..Hα-helixtrans-63.3-39.4175.2-66.40000112.8M1931 F1975 I1977 Q1982 F1983M1931-C1979 HydrophobicContact CB-CB 3.76Å; M1931-C1979 HydrophobicContact CG-CB 3.96Å; M1931-C1979 HydrophobicContact SD-CB 4.18Å; F1975-C1979 VanDerWaalsContact CE1-SG 3.52Å; F1975-C1979 WeakPolarHBondContact CZ-SG 3.13Å; F1975-C1979 PolarHBondContact O-N 3.4Å; F1975-C1979 PolarHBondContact O-SG 3.22Å; I1977-C1979 VanDerWaalsContact C-N 3.29Å; I1977-C1979 PolarHBondContact O-N 3.33Å; C1979-Q1982 PolarHBondContact O-N 3.32Å; C1979-F1983 WeakPolarHBondContact O-CB 3.49Å; C1979-F1983 PolarHBondContact O-N 3.45Å
1980A87.2Confident83.2Confident34 Ų3441.9 Ų41.928%0.28123%0.231SC..Hα-helixtrans-64.3-42.3176.600000111.9N1976 I1977 K1978 F1983 E1984N1976-A1980 WeakPolarHBondContact O-CB 3.06Å; N1976-A1980 PolarHBondContact O-N 2.81Å; I1977-A1980 WeakPolarHBondContact O-CB 3.33Å; I1977-A1980 PolarHBondContact O-N 3.35Å; K1978-A1980 PolarHBondContact O-N 3.43Å; A1980-F1983 WeakPolarHBondContact O-CB 3.41Å; A1980-F1983 PolarHBondContact O-N 3.07Å; A1980-E1984 WeakPolarHBondContact O-CG 3.47Å; A1980-E1984 PolarHBondContact O-N 3.4Å
1981R86.9Confident82.4Confident61 Ų6151.3 Ų51.323%0.2327%0.265CS..Hα-helixtrans-68.5-38.5176-61-57.2171.8-155.6-5.1112.3I1977 K1978 F1983 E1984 A1985 E2345 L2346I1977-R1981 HydrophobicContact CG2-CG 4.24Å; I1977-R1981 WeakPolarHBondContact O-CG 3.12Å; I1977-R1981 PolarHBondContact O-N 3.28Å; K1978-R1981 PolarHBondContact O-N 2.96Å; R1981-F1983 VanDerWaalsContact C-N 3.32Å; R1981-F1983 PolarHBondContact O-N 3.02Å; R1981-E1984 WeakPolarHBondContact CD-OE2 3.41Å; R1981-E1984 IonicContact CZ-OE2 3.61Å; R1981-E1984 IonicContact NE-OE2 3.11Å; R1981-E1984 IonicContact NH1-OE1 3.57Å; R1981-E1984 PolarHBondContact NH1-OE1 3.06Å; R1981-E1984 IonicContact NH1-OE2 3.23Å; R1981-E1984 PolarHBondContact NH1-OE2 3.45Å; R1981-E1984 PolarHBondContact O-N 3.44Å; R1981-A1985 PolarHBondContact O-N 3.02Å; R1981-E2345 IonicContact NH2-OE2 2.81Å; R1981-E2345 PolarHBondContact NH2-OE2 3.13Å; R1981-L2346 PolarHBondContact NE-O 2.89Å; R1981-L2346 VanDerWaalsContact NE-O 3.09Å; R1981-L2346 PolarHBondContact NH2-O 3.47Å
1982Q82.2Confident81.4Confident86 Ų8654.4 Ų54.440%0.40230%0.301SS..Hα-helixtrans-65.7-36.1173.6-168.466.818.100111.9Y1926 K1978 C1979 A1985 A1986Y1926-Q1982 VanDerWaalsContact O-CB 3.24Å; Y1926-Q1982 WeakPolarHBondContact O-CB 3.26Å; Y1926-Q1982 WeakPolarHBondContact O-CG 3.41Å; K1978-Q1982 WeakPolarHBondContact O-CB 3.24Å; K1978-Q1982 PolarHBondContact O-N 3.33Å; C1979-Q1982 PolarHBondContact O-N 3.32Å; Q1982-A1985 PolarHBondContact O-N 3.29Å; Q1982-A1986 WeakPolarHBondContact O-CB 3.39Å; Q1982-A1986 PolarHBondContact O-N 3.07Å
1983F82.9Confident80.5Confident73 Ų7358.6 Ų58.632%0.3232%0.322SS..Hα-helixtrans-64.5-44.1172.4170.5-97.2000111.9M1928 C1979 A1980 R1981 A1985 A1986 Y1987M1928-F1983 HydrophobicContact CB-CD2 4.22Å; M1928-F1983 HydrophobicContact CG-CD2 4.44Å; M1928-F1983 HydrophobicContact SD-CD2 4.22Å; M1928-F1983 HydrophobicContact SD-CE2 3.88Å; C1979-F1983 WeakPolarHBondContact O-CB 3.49Å; C1979-F1983 PolarHBondContact O-N 3.45Å; A1980-F1983 WeakPolarHBondContact O-CB 3.41Å; A1980-F1983 PolarHBondContact O-N 3.07Å; R1981-F1983 VanDerWaalsContact C-N 3.32Å; R1981-F1983 PolarHBondContact O-N 3.02Å; F1983-A1985 VanDerWaalsContact C-N 3.27Å; F1983-A1985 PolarHBondContact O-N 3.47Å; F1983-A1986 PolarHBondContact O-N 3.47Å; F1983-Y1987 AromaticContact CD2-CD2 3.4Å; F1983-Y1987 HydrophobicContact CD2-CD2 3.4Å; F1983-Y1987 AromaticContact CD2-CE2 3.74Å; F1983-Y1987 HydrophobicContact CD2-CE2 3.74Å; F1983-Y1987 HydrophobicContact CD2-CG 4.4Å; F1983-Y1987 AromaticContact CE2-CD2 3.36Å; F1983-Y1987 HydrophobicContact CE2-CD2 3.36Å; F1983-Y1987 AromaticContact CE2-CE2 3.74Å; F1983-Y1987 HydrophobicContact CE2-CE2 3.74Å; F1983-Y1987 HydrophobicContact CE2-CG 4.01Å; F1983-Y1987 HydrophobicContact CG-CD2 4.27Å; F1983-Y1987 HydrophobicContact CZ-CD2 4.2Å; F1983-Y1987 HydrophobicContact CZ-CG 4.5Å; F1983-Y1987 WeakPolarHBondContact O-CD2 3.44Å; F1983-Y1987 PolarHBondContact O-N 2.99Å
1984E81Confident79.7Confident102 Ų10260.4 Ų60.448%0.47734%0.34SS..Hα-helixtrans-61.2-35.4174.6-72.7173.6173.800112.3A1980 R1981 Y1987A1980-E1984 WeakPolarHBondContact O-CG 3.47Å; A1980-E1984 PolarHBondContact O-N 3.4Å; R1981-E1984 WeakPolarHBondContact CD-OE2 3.41Å; R1981-E1984 IonicContact CZ-OE2 3.61Å; R1981-E1984 IonicContact NE-OE2 3.11Å; R1981-E1984 IonicContact NH1-OE1 3.57Å; R1981-E1984 PolarHBondContact NH1-OE1 3.06Å; R1981-E1984 IonicContact NH1-OE2 3.23Å; R1981-E1984 PolarHBondContact NH1-OE2 3.45Å; R1981-E1984 PolarHBondContact O-N 3.44Å; E1984-Y1987 CarbonylContact O-C 3.57Å
1985A76.1Confident78.9Confident51 Ų5168 Ų6842%0.42137%0.374SS..Hα-helixtrans-70.3-44.7174.300000112.7R1981 Q1982 F1983 Y1987R1981-A1985 PolarHBondContact O-N 3.02Å; Q1982-A1985 PolarHBondContact O-N 3.29Å; F1983-A1985 VanDerWaalsContact C-N 3.27Å; F1983-A1985 PolarHBondContact O-N 3.47Å; A1985-Y1987 VanDerWaalsContact C-N 3.34Å; A1985-Y1987 PolarHBondContact O-N 3.1Å
1986A71.3Confident78Confident37 Ų3769 Ų6931%0.30638%0.384SS..Hα-helixtrans-71.7-24.9-179.200000113.9Q1982 F1983Q1982-A1986 WeakPolarHBondContact O-CB 3.39Å; Q1982-A1986 PolarHBondContact O-N 3.07Å; F1983-A1986 PolarHBondContact O-N 3.47Å
1987Y76.7Confident77.5Confident61 Ų6174.6 Ų74.624%0.23941%0.406CS..SBendtrans-126.272.2-179.9-61.7-85.3000111.1Q1398 Y1401 F1983 E1984 A1985 A1989Q1398-Y1987 HydrophobicContact CG-CE1 4.4Å; Y1401-Y1987 HydrophobicContact CD1-CD1 4.03Å; Y1401-Y1987 AromaticContact CD2-CD1 3.94Å; Y1401-Y1987 HydrophobicContact CD2-CD1 3.94Å; Y1401-Y1987 HydrophobicContact CE1-CD1 4.49Å; Y1401-Y1987 HydrophobicContact CE2-CD1 4.4Å; Y1401-Y1987 AromaticContact CG-CD1 3.73Å; Y1401-Y1987 HydrophobicContact CG-CD1 3.73Å; Y1401-Y1987 HydrophobicContact CG-CE1 4.38Å; Y1401-Y1987 PolarHBondContact OH-O 2.79Å; F1983-Y1987 AromaticContact CD2-CD2 3.4Å; F1983-Y1987 HydrophobicContact CD2-CD2 3.4Å; F1983-Y1987 AromaticContact CD2-CE2 3.74Å; F1983-Y1987 HydrophobicContact CD2-CE2 3.74Å; F1983-Y1987 HydrophobicContact CD2-CG 4.4Å; F1983-Y1987 AromaticContact CE2-CD2 3.36Å; F1983-Y1987 HydrophobicContact CE2-CD2 3.36Å; F1983-Y1987 AromaticContact CE2-CE2 3.74Å; F1983-Y1987 HydrophobicContact CE2-CE2 3.74Å; F1983-Y1987 HydrophobicContact CE2-CG 4.01Å; F1983-Y1987 HydrophobicContact CG-CD2 4.27Å; F1983-Y1987 HydrophobicContact CZ-CD2 4.2Å; F1983-Y1987 HydrophobicContact CZ-CG 4.5Å; F1983-Y1987 WeakPolarHBondContact O-CD2 3.44Å; F1983-Y1987 PolarHBondContact O-N 2.99Å; E1984-Y1987 CarbonylContact O-C 3.57Å; A1985-Y1987 VanDerWaalsContact C-N 3.34Å; A1985-Y1987 PolarHBondContact O-N 3.1Å; Y1987-A1989 PolarHBondContact O-N 3.29Å
1988P73.4Confident76.6Confident27 Ų2777.9 Ų77.918%0.17542%0.424CS..PPolyproline II helixtrans-68.1131.6-173.927.3-34.5000112.1L1431L1431-P1988 HydrophobicContact CB-CG 4.35Å; L1431-P1988 HydrophobicContact CD1-CB 4.12Å; L1431-P1988 HydrophobicContact CD1-CG 4.18Å
1989A71.8Confident75.9Confident79 Ų7980 Ų8065%0.65344%0.439SS*.PPolyproline II helixtrans-97.1131.8174.800000111.3Y1987Y1987-A1989 PolarHBondContact O-N 3.29Å
1990P70.2Confident75.4Confident44 Ų4486.1 Ų86.129%0.28647%0.465SS..PPolyproline II helixtrans-67.8136.5179.926.3-33.6000112V1434 I1993V1434-P1990 HydrophobicContact CG1-CG 4.23Å; P1990-I1993 HydrophobicContact CB-CD1 3.64Å; P1990-I1993 HydrophobicContact CB-CG1 4.05Å; P1990-I1993 HydrophobicContact CG-CB 4.2Å; P1990-I1993 HydrophobicContact CG-CD1 3.53Å; P1990-I1993 HydrophobicContact CG-CG1 4.02Å
1991R72.3Confident75Confident251 Ų25192.5 Ų92.595%0.94748%0.484SS*.THydrogen-bonded Turntrans-69.2135.8-179.8-173.6177.7178.2-175.7-1.3110.8I1993R1991-I1993 PolarHBondContact O-N 3.08Å
1992G69.3Low74.4Confident81 Ų8196 Ų9684%0.83550%0.504SS*.THydrogen-bonded Turntrans83.22.4173.100000115.7
1993I69.1Low74.2Confident94 Ų9498.5 Ų98.548%0.48252%0.517SS..PPolyproline II helixtrans-95.4135.2178.3-54.6-165.2000110.3P1990 R1991P1990-I1993 HydrophobicContact CB-CD1 3.64Å; P1990-I1993 HydrophobicContact CB-CG1 4.05Å; P1990-I1993 HydrophobicContact CG-CB 4.2Å; P1990-I1993 HydrophobicContact CG-CD1 3.53Å; P1990-I1993 HydrophobicContact CG-CG1 4.02Å; R1991-I1993 PolarHBondContact O-N 3.08Å
1994P70.8Confident74.1Confident108 Ų10896.5 Ų96.570%0.70152%0.517SS*.PPolyproline II helixtrans-63137174.826.5-34.9000111.2G1996P1994-G1996 PolarHBondContact O-N 3.26Å
1995K72.2Confident74.1Confident162 Ų16297.8 Ų97.870%0.70452%0.521SS*.PPolyproline II helixtrans-54.4130.8171.4-73.1-168.2175.7-174.20110.3K2000K1995-K2000 WeakPolarHBondContact O-CE 3.16Å
1996G69.5Low74.3Confident21 Ų2198.7 Ų98.722%0.21652%0.523CS..PPolyproline II helixtrans-50.5145.9-179.800000112.9P1994 L1998 V1999P1994-G1996 PolarHBondContact O-N 3.26Å; G1996-L1998 VanDerWaalsContact C-N 3.25Å; G1996-L1998 PolarHBondContact O-N 2.99Å; G1996-V1999 PolarHBondContact O-N 3.07Å
1997K78.2Confident74.7Confident151 Ų151102 Ų10266%0.65754%0.535SS*.Hα-helixtrans-61.4-37-175.4-66.2174.9-175.5169.50111.5K2000 Y2001K1997-K2000 PolarHBondContact O-N 3.18Å; K1997-Y2001 HydrophobicContact CB-CE2 4.36Å; K1997-Y2001 WeakPolarHBondContact O-CD2 3.43Å; K1997-Y2001 PolarHBondContact O-N 3.25Å
1998L70.8Confident75Confident82 Ų82104.3 Ų104.343%0.42955%0.55SS..Hα-helixtrans-63.1-43.7-178.1-171140.3000112.6L1408 G1996 K2000 Y2001 M2002L1408-L1998 HydrophobicContact CD1-CD1 4.23Å; G1996-L1998 VanDerWaalsContact C-N 3.25Å; G1996-L1998 PolarHBondContact O-N 2.99Å; L1998-K2000 VanDerWaalsContact C-N 3.29Å; L1998-K2000 PolarHBondContact O-N 3.26Å; L1998-Y2001 PolarHBondContact O-N 2.99Å; L1998-M2002 HydrophobicContact CD2-CG 3.94Å; L1998-M2002 HydrophobicContact CG-CG 4.31Å; L1998-M2002 WeakPolarHBondContact O-CB 3.11Å; L1998-M2002 WeakPolarHBondContact O-CG 3.36Å; L1998-M2002 PolarHBondContact O-N 3.18Å
1999V73.2Confident75.6Confident74 Ų74106.3 Ų106.345%0.44856%0.559SS.*Hα-helixtrans-61.9-38178.2179.60000111.2G1996 M2003G1996-V1999 PolarHBondContact O-N 3.07Å; V1999-M2003 WeakPolarHBondContact O-CB 3.29Å; V1999-M2003 PolarHBondContact O-N 2.91Å; V1999-M2003 VanDerWaalsContact O-N 3.12Å
2000K78.1Confident75.9Confident129 Ų129104.5 Ų104.556%0.56155%0.548SS*.Hα-helixtrans-64.5-44.7176.8-66.4-179.3179.2178.50112.3K1995 K1997 L1998 G2004K1995-K2000 WeakPolarHBondContact O-CE 3.16Å; K1997-K2000 PolarHBondContact O-N 3.18Å; L1998-K2000 VanDerWaalsContact C-N 3.29Å; L1998-K2000 PolarHBondContact O-N 3.26Å; K2000-G2004 PolarHBondContact O-N 3.23Å
2001Y80.1Confident76.4Confident169 Ų169105.8 Ų105.866%0.66355%0.554SS**Hα-helixtrans-70.2-42.3179-70.4-61.2000112.3K1997 L1998 M2003 F2005K1997-Y2001 HydrophobicContact CB-CE2 4.36Å; K1997-Y2001 WeakPolarHBondContact O-CD2 3.43Å; K1997-Y2001 PolarHBondContact O-N 3.25Å; L1998-Y2001 PolarHBondContact O-N 2.99Å; Y2001-M2003 VanDerWaalsContact C-N 3.33Å; Y2001-M2003 PolarHBondContact O-N 2.73Å; Y2001-F2005 WeakPolarHBondContact O-CB 3.43Å; Y2001-F2005 PolarHBondContact O-N 2.92Å; Y2001-F2005 VanDerWaalsContact O-N 3.07Å
2002M74.4Confident76.9Confident133 Ų13397.4 Ų97.466%0.65553%0.531SS*.Hα-helixtrans-66.5-31.8-179.7-72-63.1-68.900113.2L1998 P2006L1998-M2002 HydrophobicContact CD2-CG 3.94Å; L1998-M2002 HydrophobicContact CG-CG 4.31Å; L1998-M2002 WeakPolarHBondContact O-CB 3.11Å; L1998-M2002 WeakPolarHBondContact O-CG 3.36Å; L1998-M2002 PolarHBondContact O-N 3.18Å; M2002-P2006 VanDerWaalsContact O-CD 3.22Å; M2002-P2006 WeakPolarHBondContact O-CD 3.33Å; M2002-P2006 VanDerWaalsContact O-CG 3.23Å; M2002-P2006 WeakPolarHBondContact O-CG 3.45Å
2003M77.8Confident77.4Confident140 Ų14098.5 Ų98.569%0.6952%0.517SS*.Hα-helixtrans-85.9-43.5177-170.5177.8177.300112.5V1999 Y2001 I2007V1999-M2003 WeakPolarHBondContact O-CB 3.29Å; V1999-M2003 PolarHBondContact O-N 2.91Å; V1999-M2003 VanDerWaalsContact O-N 3.12Å; Y2001-M2003 VanDerWaalsContact C-N 3.33Å; Y2001-M2003 PolarHBondContact O-N 2.73Å; M2003-I2007 VanDerWaalsContact O-CD1 3.31Å; M2003-I2007 WeakPolarHBondContact O-CD1 3.45Å; M2003-I2007 WeakPolarHBondContact O-CG1 3.34Å
2004G79Confident77.9Confident31 Ų3197.9 Ų97.932%0.3251%0.511SS..Hα-helixtrans-81.5-41.2-172.100000115K2000 I2007 I2008K2000-G2004 PolarHBondContact O-N 3.23Å; G2004-I2007 PolarHBondContact O-N 3.02Å; G2004-I2008 WeakPolarHBondContact O-CG1 3.45Å; G2004-I2008 PolarHBondContact O-N 3.49Å
2005F83Confident78.3Confident128 Ų12896.2 Ų96.256%0.56150%0.495SS*.Hα-helixtrans-67.2-42.6-173.6-176.5-107.6000113.8Y2001 I2007 I2008 I2009Y2001-F2005 WeakPolarHBondContact O-CB 3.43Å; Y2001-F2005 PolarHBondContact O-N 2.92Å; Y2001-F2005 VanDerWaalsContact O-N 3.07Å; F2005-I2007 VanDerWaalsContact C-N 3.33Å; F2005-I2007 PolarHBondContact O-N 2.84Å; F2005-I2008 PolarHBondContact O-N 3.43Å; F2005-I2009 HydrophobicContact CD1-CD1 3.81Å; F2005-I2009 HydrophobicContact CE1-CD1 3.22Å; F2005-I2009 HydrophobicContact CE1-CG1 4.27Å; F2005-I2009 HydrophobicContact CE2-CD1 4.08Å; F2005-I2009 HydrophobicContact CE2-CG1 4.44Å; F2005-I2009 HydrophobicContact CG-CD1 4.46Å; F2005-I2009 HydrophobicContact CZ-CD1 3.39Å; F2005-I2009 HydrophobicContact CZ-CG1 4.22Å; F2005-I2009 PolarHBondContact O-N 3.41Å
2006P79.4Confident78.8Confident70 Ų7094 Ų9446%0.45549%0.485SS..Hα-helixtrans-63.8-36.1177.3-2436.5000113.3M2002 I2008 I2009 G2010M2002-P2006 VanDerWaalsContact O-CD 3.22Å; M2002-P2006 WeakPolarHBondContact O-CD 3.33Å; M2002-P2006 VanDerWaalsContact O-CG 3.23Å; M2002-P2006 WeakPolarHBondContact O-CG 3.45Å; P2006-I2008 VanDerWaalsContact C-N 3.34Å; P2006-I2008 PolarHBondContact O-N 3.12Å; P2006-I2009 PolarHBondContact O-N 2.84Å; P2006-G2010 PolarHBondContact O-N 2.71Å
2007I79.2Confident78.9Confident107 Ų10796 Ų9655%0.54950%0.496SS..Hα-helixtrans-62.3-44.1176.5-63.8174.7000110.1M2003 G2004 F2005 G2010 V2011M2003-I2007 VanDerWaalsContact O-CD1 3.31Å; M2003-I2007 WeakPolarHBondContact O-CD1 3.45Å; M2003-I2007 WeakPolarHBondContact O-CG1 3.34Å; G2004-I2007 PolarHBondContact O-N 3.02Å; F2005-I2007 VanDerWaalsContact C-N 3.33Å; F2005-I2007 PolarHBondContact O-N 2.84Å; I2007-G2010 PolarHBondContact O-N 2.97Å; I2007-V2011 WeakPolarHBondContact O-CG2 3.39Å; I2007-V2011 PolarHBondContact O-N 3.09Å
2008I84Confident78.5Confident109 Ų10991.2 Ų91.256%0.55948%0.481SS*.Hα-helixtrans-63.3-47.3178-65.9167.6000111.1G2004 F2005 P2006 G2010 V2011 V2012G2004-I2008 WeakPolarHBondContact O-CG1 3.45Å; G2004-I2008 PolarHBondContact O-N 3.49Å; F2005-I2008 PolarHBondContact O-N 3.43Å; P2006-I2008 VanDerWaalsContact C-N 3.34Å; P2006-I2008 PolarHBondContact O-N 3.12Å; I2008-G2010 PolarHBondContact O-N 2.69Å; I2008-V2011 PolarHBondContact O-N 3.45Å; I2008-V2012 WeakPolarHBondContact O-CG2 3.16Å; I2008-V2012 PolarHBondContact O-N 3.33Å; I2008-V2012 VanDerWaalsContact O-N 3.15Å
2009I84.9Confident78.5Confident70 Ų7091.4 Ų91.436%0.35948%0.481SS..Hα-helixtrans-61.5-44.1178.6-74.7-177.8000111.5F2005 P2006 V2011 V2012 I2013F2005-I2009 HydrophobicContact CD1-CD1 3.81Å; F2005-I2009 HydrophobicContact CE1-CD1 3.22Å; F2005-I2009 HydrophobicContact CE1-CG1 4.27Å; F2005-I2009 HydrophobicContact CE2-CD1 4.08Å; F2005-I2009 HydrophobicContact CE2-CG1 4.44Å; F2005-I2009 HydrophobicContact CG-CD1 4.46Å; F2005-I2009 HydrophobicContact CZ-CD1 3.39Å; F2005-I2009 HydrophobicContact CZ-CG1 4.22Å; F2005-I2009 PolarHBondContact O-N 3.41Å; P2006-I2009 PolarHBondContact O-N 2.84Å; I2009-V2011 VanDerWaalsContact C-N 3.29Å; I2009-V2011 PolarHBondContact O-N 3.22Å; I2009-V2012 PolarHBondContact O-N 3.38Å; I2009-I2013 HydrophobicContact CG2-CD1 3.61Å; I2009-I2013 HydrophobicContact CG2-CG1 4.2Å; I2009-I2013 WeakPolarHBondContact O-CG1 3.47Å; I2009-I2013 PolarHBondContact O-N 2.73Å
2010G78Confident78.4Confident41 Ų4193 Ų9342%0.42349%0.487SS..Hα-helixtrans-57.4-42.417900000112.4P2006 I2007 I2008 F2014P2006-G2010 PolarHBondContact O-N 2.71Å; I2007-G2010 PolarHBondContact O-N 2.97Å; I2008-G2010 PolarHBondContact O-N 2.69Å; G2010-F2014 WeakPolarHBondContact O-CB 3.45Å; G2010-F2014 PolarHBondContact O-N 2.86Å
2011V80.8Confident77.7Confident71 Ų7191.8 Ų91.843%0.4349%0.486SS..Hα-helixtrans-65.1-42.7176.4173.80000111.8I2007 I2008 I2009 F2014 I2015I2007-V2011 WeakPolarHBondContact O-CG2 3.39Å; I2007-V2011 PolarHBondContact O-N 3.09Å; I2008-V2011 PolarHBondContact O-N 3.45Å; I2009-V2011 VanDerWaalsContact C-N 3.29Å; I2009-V2011 PolarHBondContact O-N 3.22Å; V2011-F2014 PolarHBondContact O-N 2.76Å; V2011-I2015 HydrophobicContact CG1-CD1 3.92Å; V2011-I2015 WeakPolarHBondContact O-CG1 3.42Å; V2011-I2015 PolarHBondContact O-N 3.08Å
2012V83.5Confident77.1Confident74 Ų7489.8 Ų89.845%0.44848%0.477SS..Hα-helixtrans-64.9-46.6179.71740000111.6I2008 I2009 F2014 I2015 F2016I2008-V2012 WeakPolarHBondContact O-CG2 3.16Å; I2008-V2012 PolarHBondContact O-N 3.33Å; I2008-V2012 VanDerWaalsContact O-N 3.15Å; I2009-V2012 PolarHBondContact O-N 3.38Å; V2012-F2014 VanDerWaalsContact C-N 3.29Å; V2012-F2014 PolarHBondContact O-N 3.37Å; V2012-I2015 PolarHBondContact O-N 3.25Å; V2012-F2016 HydrophobicContact CG1-CD2 3.85Å; V2012-F2016 HydrophobicContact CG1-CE2 4.18Å; V2012-F2016 WeakPolarHBondContact O-CD2 3.41Å; V2012-F2016 PolarHBondContact O-N 3.15Å; V2012-F2016 VanDerWaalsContact O-N 3.17Å
2013I80.3Confident76.8Confident105 Ų10587.5 Ų87.554%0.53847%0.474SS..Hα-helixtrans-60.1-42.7178.8-69.1173.5000110.5I2009 I2015 F2016 S2017I2009-I2013 HydrophobicContact CG2-CD1 3.61Å; I2009-I2013 HydrophobicContact CG2-CG1 4.2Å; I2009-I2013 WeakPolarHBondContact O-CG1 3.47Å; I2009-I2013 PolarHBondContact O-N 2.73Å; I2013-I2015 PolarHBondContact O-N 3.06Å; I2013-F2016 PolarHBondContact O-N 3.49Å; I2013-S2017 WeakPolarHBondContact O-CB 3.36Å; I2013-S2017 PolarHBondContact O-N 2.73Å
2014F77.8Confident76.1Confident81 Ų8185.9 Ų85.936%0.35547%0.468SS..Hα-helixtrans-63.7-40.3-178.8-170.5-92000112.9G2010 V2011 V2012 V2321 V2325G2010-F2014 WeakPolarHBondContact O-CB 3.45Å; G2010-F2014 PolarHBondContact O-N 2.86Å; V2011-F2014 PolarHBondContact O-N 2.76Å; V2012-F2014 VanDerWaalsContact C-N 3.29Å; V2012-F2014 PolarHBondContact O-N 3.37Å; F2014-V2321 HydrophobicContact CE1-CG1 4.13Å; F2014-V2321 HydrophobicContact CE2-CG1 4.45Å; F2014-V2321 HydrophobicContact CZ-CG1 3.52Å; F2014-V2325 HydrophobicContact CD1-CB 4.32Å; F2014-V2325 HydrophobicContact CD1-CG1 3.9Å; F2014-V2325 HydrophobicContact CE1-CB 3.47Å; F2014-V2325 VanDerWaalsContact CE1-CB 3.47Å; F2014-V2325 HydrophobicContact CE1-CG1 3.55Å; F2014-V2325 HydrophobicContact CE1-CG2 3.55Å; F2014-V2325 HydrophobicContact CE2-CG2 3.94Å; F2014-V2325 HydrophobicContact CZ-CB 3.68Å; F2014-V2325 HydrophobicContact CZ-CG1 3.93Å; F2014-V2325 HydrophobicContact CZ-CG2 3.15Å
2015I80.6Confident75.1Confident72 Ų7286.5 Ų86.537%0.36946%0.464SS..Hα-helixtrans-69.4-41.8179.4-67169.4000111.6V2011 V2012 I2013V2011-I2015 HydrophobicContact CG1-CD1 3.92Å; V2011-I2015 WeakPolarHBondContact O-CG1 3.42Å; V2011-I2015 PolarHBondContact O-N 3.08Å; V2012-I2015 PolarHBondContact O-N 3.25Å; I2013-I2015 PolarHBondContact O-N 3.06Å
2016F81.4Confident74Confident116 Ų11685.4 Ų85.451%0.50946%0.464SS..Hα-helixtrans-92.8-21-172.5-73.3-71.3000115.3V2012 I2013 L2019 L2020V2012-F2016 HydrophobicContact CG1-CD2 3.85Å; V2012-F2016 HydrophobicContact CG1-CE2 4.18Å; V2012-F2016 WeakPolarHBondContact O-CD2 3.41Å; V2012-F2016 PolarHBondContact O-N 3.15Å; V2012-F2016 VanDerWaalsContact O-N 3.17Å; I2013-F2016 PolarHBondContact O-N 3.49Å; F2016-L2019 WeakPolarHBondContact O-CB 3.34Å; F2016-L2019 PolarHBondContact O-N 3.14Å; F2016-L2020 PolarHBondContact O-N 3.1Å; F2016-L2020 VanDerWaalsContact O-N 3.07Å
2017S73Confident73.2Confident64 Ų6490 Ų9045%0.44848%0.479SS..Hα-helixtrans-55.1-45.2-176.2175.40000114.2I2013 L2019 L2020 L2021I2013-S2017 WeakPolarHBondContact O-CB 3.36Å; I2013-S2017 PolarHBondContact O-N 2.73Å; S2017-L2019 PolarHBondContact O-N 3.18Å; S2017-L2020 PolarHBondContact O-N 3.23Å; S2017-L2021 WeakPolarHBondContact O-CB 3.18Å; S2017-L2021 PolarHBondContact O-N 3.47Å
2018P68.5Low72.4Confident50 Ų5089.1 Ų89.133%0.32548%0.475SS..Hα-helixtrans-66.7-32.6178.9-21.233.9000114.2W2022 Y2318P2018-W2022 PolarHBondContact O-N 3.45Å; P2018-W2022 VanDerWaalsContact O-N 3.13Å; P2018-Y2318 HydrophobicContact CB-CD2 3.67Å; P2018-Y2318 HydrophobicContact CB-CE2 3.99Å; P2018-Y2318 HydrophobicContact CG-CD2 3.98Å; P2018-Y2318 HydrophobicContact CG-CE2 4.13Å
2019L70.7Confident71.4Confident85 Ų8585.2 Ų85.245%0.44546%0.461SS..Hα-helixtrans-68.4-42.7175.5-92.8150.1000111.5F2016 S2017 W2022 S2023F2016-L2019 WeakPolarHBondContact O-CB 3.34Å; F2016-L2019 PolarHBondContact O-N 3.14Å; S2017-L2019 PolarHBondContact O-N 3.18Å; L2019-W2022 PolarHBondContact O-N 3.36Å; L2019-S2023 PolarHBondContact O-N 3.22Å
2020L71Confident70.6Confident107 Ų10785.2 Ų85.256%0.5647%0.465SS*.Hα-helixtrans-63.4-43.9175.3-107.2156000111.5F2016 S2017 W2022 S2023 L2024F2016-L2020 PolarHBondContact O-N 3.1Å; F2016-L2020 VanDerWaalsContact O-N 3.07Å; S2017-L2020 PolarHBondContact O-N 3.23Å; L2020-W2022 PolarHBondContact O-N 2.83Å; L2020-S2023 PolarHBondContact O-N 3.36Å; L2020-L2024 HydrophobicContact CD2-CD1 4.36Å; L2020-L2024 WeakPolarHBondContact O-CG 3.3Å; L2020-L2024 PolarHBondContact O-N 3.24Å
2021L65.1Low70.2Confident104 Ų10485.8 Ų85.855%0.54546%0.458SS..Hα-helixtrans-62.1-41.2178.3-15984.8000111.7S2017 L2024 L2025S2017-L2021 WeakPolarHBondContact O-CB 3.18Å; S2017-L2021 PolarHBondContact O-N 3.47Å; L2021-L2024 PolarHBondContact O-N 3.06Å; L2021-L2025 HydrophobicContact CD2-CD1 3.84Å; L2021-L2025 HydrophobicContact CG-CD1 3.67Å; L2021-L2025 HydrophobicContact CG-CG 4.31Å; L2021-L2025 WeakPolarHBondContact O-CB 3.41Å; L2021-L2025 WeakPolarHBondContact O-CD1 3.18Å; L2021-L2025 WeakPolarHBondContact O-CG 3.43Å; L2021-L2025 PolarHBondContact O-N 3.41Å; L2021-L2025 VanDerWaalsContact O-N 3.07Å
2022W67.1Low69.6Low128 Ų12883.5 Ų83.549%0.48545%0.445SS..Hα-helixtrans-66-41.9179.7-176.922.4000113.1P2018 L2019 L2020 L2024 L2025P2018-W2022 PolarHBondContact O-N 3.45Å; P2018-W2022 VanDerWaalsContact O-N 3.13Å; L2019-W2022 PolarHBondContact O-N 3.36Å; L2020-W2022 PolarHBondContact O-N 2.83Å; W2022-L2024 VanDerWaalsContact C-N 3.31Å; W2022-L2024 PolarHBondContact O-N 3.12Å; W2022-L2025 PolarHBondContact O-N 3Å
2023S67.3Low69.1Low84 Ų8484.6 Ų84.659%0.58745%0.446SS*.Hα-helixtrans-58.2-42.5175.6171.90000112.4L2019 L2020L2019-S2023 PolarHBondContact O-N 3.22Å; L2020-S2023 PolarHBondContact O-N 3.36Å
2024L64.4Low68.9Low107 Ų10779.9 Ų79.956%0.5642%0.422SS*.Hα-helixtrans-77.6-31.4-176.4-69.5165.7000113.1L2020 L2021 W2022L2020-L2024 HydrophobicContact CD2-CD1 4.36Å; L2020-L2024 WeakPolarHBondContact O-CG 3.3Å; L2020-L2024 PolarHBondContact O-N 3.24Å; L2021-L2024 PolarHBondContact O-N 3.06Å; W2022-L2024 VanDerWaalsContact C-N 3.31Å; W2022-L2024 PolarHBondContact O-N 3.12Å
2025L58.3Low68.8Low43 Ų4381.7 Ų81.723%0.22543%0.432CS..Hα-helixtrans-78.5-21.8-173.3-75.3171.6000114.7L2021 W2022 Q2027 I2028 L2306 F2310L2021-L2025 HydrophobicContact CD2-CD1 3.84Å; L2021-L2025 HydrophobicContact CG-CD1 3.67Å; L2021-L2025 HydrophobicContact CG-CG 4.31Å; L2021-L2025 WeakPolarHBondContact O-CB 3.41Å; L2021-L2025 WeakPolarHBondContact O-CD1 3.18Å; L2021-L2025 WeakPolarHBondContact O-CG 3.43Å; L2021-L2025 PolarHBondContact O-N 3.41Å; L2021-L2025 VanDerWaalsContact O-N 3.07Å; W2022-L2025 PolarHBondContact O-N 3Å; L2025-Q2027 PolarHBondContact O-N 2.95Å; L2025-Q2027 VanDerWaalsContact O-N 3.1Å; L2025-I2028 HydrophobicContact CD2-CD1 4.1Å; L2025-L2306 HydrophobicContact CD1-CD2 4.3Å; L2025-L2306 HydrophobicContact CD2-CD1 4.47Å; L2025-L2306 HydrophobicContact CD2-CD2 3.96Å; L2025-F2310 HydrophobicContact CB-CZ 4.47Å
2026N58.3Low68.9Low105 Ų10581.7 Ų81.756%0.56143%0.429SS*.THydrogen-bonded Turntrans-69-3.1-179-84.2-5.9000114.6
2027Q62.4Low69.2Low168 Ų16876.2 Ų76.279%0.78541%0.405SS*.THydrogen-bonded Turntrans-102.22.3-173-66.8-173.7-22.100115.5L2025L2025-Q2027 PolarHBondContact O-N 2.95Å; L2025-Q2027 VanDerWaalsContact O-N 3.1Å
2028I63.3Low70.1Confident88 Ų8873.7 Ų73.745%0.45139%0.387SS..  trans-113.251.9-159.2-43.5172000114.4L2025L2025-I2028 HydrophobicContact CD2-CD1 4.1Å
2029G63.9Low71.2Confident27 Ų2771.3 Ų71.328%0.27837%0.372SS..  trans-93.8138.6176.200000114.2
2030T67.3Low72.1Confident70 Ų7072 Ų7243%0.42937%0.368SS..BIsolated β-bridgetrans-105.2150-178.952.20000113R2300 A2301T2030-R2300 CarbonylContact O-C 3.54Å; T2030-R2300 WeakPolarHBondContact O-CA 3.3Å; T2030-A2301 PolarHBondContact N-O 3.1Å; T2030-A2301 PolarHBondContact O-N 3.28Å; T2030-A2301 PolarHBondContact OG1-O 3.28Å
2031I68.9Low73Confident53 Ų5367 Ų6727%0.27234%0.342SS..  trans-89.4128.3176-69.9171.5000109.4M2033 E2107 D2108 R2300I2031-M2033 HydrophobicContact CG2-CG 4.17Å; I2031-E2107 HydrophobicContact CD1-CB 3.62Å; I2031-D2108 WeakPolarHBondContact CD1-OD1 3.32Å; I2031-D2108 VanDerWaalsContact CG1-OD1 3.28Å; I2031-D2108 WeakPolarHBondContact CG1-OD1 3.49Å; I2031-R2300 HydrophobicContact CG1-CG 4.08Å
2032S69.6Low74.1Confident23 Ų2362.6 Ų62.616%0.16132%0.32CS..  trans-113.698.9170.544.70000110.6R2152S2032-R2152 PolarHBondContact OG-NH1 3.22Å
2033M71.4Confident74.9Confident96 Ų9656.7 Ų56.747%0.47330%0.298SS..  trans-68.5137.7179.3-70.4-174.3176.200111I2031 M2066 P2153I2031-M2033 HydrophobicContact CG2-CG 4.17Å; M2033-M2066 HydrophobicContact CE-CG 4.48Å; M2033-M2066 HydrophobicContact CE-SD 3.87Å; M2033-P2153 WeakPolarHBondContact O-CD 3.46Å; M2033-P2153 WeakPolarHBondContact O-CG 3.5Å
2034P76.9Confident75.6Confident6 Ų656.5 Ų56.54%0.03929%0.288CS..  trans-68.3136.217627.7-33.3000111.8V2037 L2064 L2110 F2150 T2151 I2298P2034-V2037 HydrophobicContact CB-CG2 4.45Å; P2034-V2037 HydrophobicContact CG-CG2 4.45Å; P2034-L2064 HydrophobicContact CG-CD2 4.21Å; P2034-L2064 WeakPolarHBondContact O-CD2 3.32Å; P2034-L2110 HydrophobicContact CG-CD2 3.65Å; P2034-F2150 HydrophobicContact CB-CD1 4.1Å; P2034-F2150 HydrophobicContact CG-CD1 4.03Å; P2034-T2151 CarbonylContact C-O 3.52Å; P2034-T2151 WeakPolarHBondContact CA-O 3.31Å; P2034-T2151 VanDerWaalsContact CB-O 3.23Å; P2034-T2151 WeakPolarHBondContact CB-O 3.36Å; P2034-I2298 HydrophobicContact CG-CD1 4.32Å
2035E76.1Confident76.3Confident120 Ų12054.9 Ų54.956%0.56130%0.297SS*.SBendtrans-74.4-44-177.8-178.3-178.2169.200111.6G2056 T2151E2035-G2056 PolarHBondContact O-N 2.73Å; E2035-T2151 PolarHBondContact N-O 3.43Å
2036K81.9Confident77.7Confident72 Ų7254.7 Ų54.731%0.31329%0.293SS..EExtended strand (participates in β ladder)trans-145.3148.4174.458.3177.7176.8-177.60111.3E2053 A2054 T2151K2036-E2053 HydrophobicContact CB-CG 4.01Å; K2036-E2053 VanDerWaalsContact CD-CD 3.47Å; K2036-E2053 HydrophobicContact CD-CG 4.21Å; K2036-E2053 WeakPolarHBondContact CD-OE1 3.32Å; K2036-E2053 IonicContact NZ-OE2 3.34Å; K2036-A2054 WeakPolarHBondContact CA-O 3.32Å; K2036-T2151 HydrophobicContact CG-CG2 4.03Å; K2036-T2151 WeakPolarHBondContact CG-OG1 3.32Å; K2036-T2151 PolarHBondContact N-OG1 2.58Å; K2036-T2151 PolarHBondContact O-N 2.73Å; K2036-T2151 PolarHBondContact O-OG1 3.18Å
2037V88.8Confident78.9Confident0 Ų051.5 Ų51.50%028%0.279CS..EExtended strand (participates in β ladder)trans-120.3124.2173.4-170.20000107.8P2034 A2054 L2064 V2112 F2114 L2148 E2149 F2150P2034-V2037 HydrophobicContact CB-CG2 4.45Å; P2034-V2037 HydrophobicContact CG-CG2 4.45Å; V2037-A2054 PolarHBondContact N-O 2.86Å; V2037-A2054 PolarHBondContact O-N 3.21Å; V2037-L2064 HydrophobicContact CG2-CD2 4.34Å; V2037-V2112 HydrophobicContact CB-CG1 3.97Å; V2037-V2112 HydrophobicContact CG1-CG1 4.07Å; V2037-V2112 HydrophobicContact CG2-CG1 4.26Å; V2037-V2112 HydrophobicContact CG2-CG2 4.16Å; V2037-F2114 HydrophobicContact CB-CE1 4.46Å; V2037-F2114 HydrophobicContact CB-CZ 4.42Å; V2037-F2114 HydrophobicContact CG1-CE1 4.23Å; V2037-F2114 HydrophobicContact CG1-CZ 3.8Å; V2037-L2148 HydrophobicContact CG1-CD1 3.86Å; V2037-L2148 HydrophobicContact CG1-CG 4.49Å; V2037-E2149 WeakPolarHBondContact CA-O 3.38Å; V2037-F2150 HydrophobicContact CB-CD1 4.48Å; V2037-F2150 HydrophobicContact CG1-CD1 4.1Å; V2037-F2150 HydrophobicContact CG1-CD2 4.25Å; V2037-F2150 HydrophobicContact CG1-CE1 4.02Å; V2037-F2150 HydrophobicContact CG1-CE2 4.21Å; V2037-F2150 HydrophobicContact CG1-CG 4.22Å; V2037-F2150 HydrophobicContact CG1-CZ 4.08Å; V2037-F2150 HydrophobicContact CG2-CD1 3.57Å; V2037-F2150 HydrophobicContact CG2-CE1 3.7Å; V2037-F2150 HydrophobicContact CG2-CG 4.32Å
2038T90.6Very high80.1Confident11 Ų1145.2 Ų45.27%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-111.4129-177.152.10000109.8E2053 L2148 E2149T2038-E2053 HydrophobicContact CG2-CB 4.28Å; T2038-E2053 HydrophobicContact CG2-CG 3.89Å; T2038-L2148 WeakPolarHBondContact O-CA 3.49Å; T2038-E2149 PolarHBondContact N-O 2.96Å; T2038-E2149 PolarHBondContact O-N 3.33Å; T2038-E2149 VanDerWaalsContact OG1-CB 3.31Å; T2038-E2149 WeakPolarHBondContact OG1-CB 3.16Å; T2038-E2149 PolarHBondContact OG1-O 2.86Å
2039L91.2Very high81.2Confident1 Ų141.1 Ų41.11%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-115.3124.5173.7177.266.6000109I2041 Y2050 M2052 F2114 V2146 L2148 I2200 L2292L2039-I2041 HydrophobicContact CG-CG1 4.47Å; L2039-Y2050 HydrophobicContact CD2-CE1 3.96Å; L2039-Y2050 HydrophobicContact CG-CE1 4.33Å; L2039-M2052 PolarHBondContact N-O 3.13Å; L2039-M2052 PolarHBondContact O-N 3.14Å; L2039-M2052 VanDerWaalsContact O-N 3.1Å; L2039-F2114 HydrophobicContact CB-CD1 3.82Å; L2039-F2114 HydrophobicContact CB-CD2 4.39Å; L2039-F2114 HydrophobicContact CB-CE1 3.54Å; L2039-F2114 HydrophobicContact CB-CE2 4.13Å; L2039-F2114 HydrophobicContact CB-CG 4.25Å; L2039-F2114 HydrophobicContact CB-CZ 3.71Å; L2039-F2114 HydrophobicContact CD2-CD1 4.48Å; L2039-F2114 HydrophobicContact CD2-CD2 3.86Å; L2039-F2114 HydrophobicContact CD2-CE2 4.09Å; L2039-F2114 HydrophobicContact CD2-CG 4.07Å; L2039-V2146 HydrophobicContact CD1-CG1 3.88Å; L2039-L2148 HydrophobicContact CB-CD1 4.26Å; L2039-L2148 HydrophobicContact CD1-CD1 4.14Å; L2039-I2200 HydrophobicContact CD1-CD1 3.97Å; L2039-I2200 HydrophobicContact CD2-CD1 3.92Å; L2039-L2292 HydrophobicContact CD2-CD2 3.21Å; L2039-L2292 HydrophobicContact CD2-CG 4.29Å
2040R91Very high82.4Confident100 Ų10039.8 Ų39.838%0.37722%0.218SC..EExtended strand (participates in β ladder)trans-123.8137.2174.6-46.1175.4154.9155.4-4.1110.5Y2050 E2051 V2146 S2147R2040-Y2050 WeakPolarHBondContact CA-O 3.46Å; R2040-E2051 HydrophobicContact CG-CG 4.3Å; R2040-E2051 IonicContact CZ-OE1 3.7Å; R2040-E2051 VanDerWaalsContact CZ-OE1 3.29Å; R2040-E2051 IonicContact NE-OE1 3.68Å; R2040-E2051 PolarHBondContact NE-OE1 3.14Å; R2040-E2051 IonicContact NH2-OE1 3.86Å; R2040-E2051 PolarHBondContact NH2-OE1 3.12Å; R2040-V2146 WeakPolarHBondContact O-CA 3.14Å; R2040-S2147 VanDerWaalsContact CB-OG 3.3Å; R2040-S2147 WeakPolarHBondContact CB-OG 3.43Å; R2040-S2147 PolarHBondContact N-O 2.83Å; R2040-S2147 PolarHBondContact O-N 3.31Å
2041I89.9Confident83.5Confident0 Ų038.2 Ų38.20%021%0.206CC..EExtended strand (participates in β ladder)trans-124.8111.7179.2-59.8176000106.7L2039 P2048 L2049 Y2050 F2144 E2145 L2248 L2250 A2265L2039-I2041 HydrophobicContact CG-CG1 4.47Å; I2041-P2048 CarbonylContact O-C 3.55Å; I2041-L2049 PolarHBondContact O-N 3.44Å; I2041-Y2050 HydrophobicContact CB-CD1 4.49Å; I2041-Y2050 HydrophobicContact CD1-CD1 3.61Å; I2041-Y2050 HydrophobicContact CD1-CE1 4.3Å; I2041-Y2050 HydrophobicContact CD1-CG 4.12Å; I2041-Y2050 HydrophobicContact CG1-CD1 4Å; I2041-Y2050 PolarHBondContact N-O 3.41Å; I2041-Y2050 PolarHBondContact O-N 3.39Å; I2041-F2144 HydrophobicContact CG2-CE1 3.6Å; I2041-F2144 HydrophobicContact CG2-CE2 3.76Å; I2041-F2144 HydrophobicContact CG2-CZ 3.04Å; I2041-E2145 WeakPolarHBondContact CA-O 3.25Å; I2041-L2248 HydrophobicContact CD1-CD1 3.49Å; I2041-L2248 VanDerWaalsContact CD1-CD1 3.49Å; I2041-L2248 HydrophobicContact CD1-CD2 3.93Å; I2041-L2248 HydrophobicContact CD1-CG 4.35Å; I2041-L2250 HydrophobicContact CG2-CD1 4.44Å; I2041-A2265 HydrophobicContact CD1-CB 4.32Å
2042S87.2Confident84.4Confident12 Ų1236 Ų368%0.08419%0.194CC..EExtended strand (participates in β ladder)trans-128.4158.2-174.543.80000111.1E2145S2042-E2145 PolarHBondContact N-O 2.96Å; S2042-E2145 PolarHBondContact O-N 3.32Å; S2042-E2145 WeakPolarHBondContact OG-CB 3.33Å; S2042-E2145 PolarHBondContact OG-OE2 3.02Å
2043I85.4Confident85.3Confident5 Ų537.1 Ų37.13%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-96.5131.6160.7-67.5170.5000106G2045 Y2046 L2049 M2132 V2142 F2144I2043-G2045 PolarHBondContact O-N 3.39Å; I2043-G2045 VanDerWaalsContact O-N 3.1Å; I2043-Y2046 HydrophobicContact CB-CD2 4.3Å; I2043-Y2046 HydrophobicContact CG2-CD2 3.87Å; I2043-Y2046 HydrophobicContact CG2-CE2 4.44Å; I2043-Y2046 PolarHBondContact O-N 3.2Å; I2043-L2049 HydrophobicContact CD1-CD1 3.93Å; I2043-L2049 HydrophobicContact CG1-CD1 3.89Å; I2043-M2132 HydrophobicContact CB-CE 3.78Å; I2043-M2132 HydrophobicContact CD1-CE 3.59Å; I2043-M2132 HydrophobicContact CD1-SD 3.77Å; I2043-M2132 HydrophobicContact CG1-CE 4.19Å; I2043-M2132 HydrophobicContact CG2-CE 4.14Å; I2043-V2142 HydrophobicContact CG2-CG1 3.31Å; I2043-F2144 HydrophobicContact CG1-CD2 4.15Å
2044E81.5Confident85.9Confident79 Ų7932.6 Ų32.637%0.36918%0.175SC..THydrogen-bonded Turntrans-49.6116.7-174.7-174.2-176-172.500112.2N2143E2044-N2143 HydrophobicContact CB-CB 4.18Å; E2044-N2143 WeakPolarHBondContact CB-O 3.19Å; E2044-N2143 PolarHBondContact N-O 2.88Å; E2044-N2143 WeakPolarHBondContact OE2-CB 3.33Å; E2044-N2143 VanDerWaalsContact OE2-CG 3.28Å; E2044-N2143 PolarHBondContact OE2-N 3.44Å; E2044-N2143 PolarHBondContact OE2-ND2 2.73Å
2045G79.3Confident85.8Confident73 Ų7337.1 Ų37.175%0.75320%0.195SC*.THydrogen-bonded Turntrans899.1-17900000116I2043I2043-G2045 PolarHBondContact O-N 3.39Å; I2043-G2045 VanDerWaalsContact O-N 3.1Å
2046Y86.2Confident85Confident39 Ų3933 Ų3315%0.15318%0.184CC..SBendtrans-127.6160.4178.3-66.2-79.7000112.6I2043 S2128 A2131 M2132 K2135I2043-Y2046 HydrophobicContact CB-CD2 4.3Å; I2043-Y2046 HydrophobicContact CG2-CD2 3.87Å; I2043-Y2046 HydrophobicContact CG2-CE2 4.44Å; I2043-Y2046 PolarHBondContact O-N 3.2Å; Y2046-S2128 VanDerWaalsContact CE1-O 3.32Å; Y2046-S2128 WeakPolarHBondContact CE1-O 3.35Å; Y2046-A2131 VanDerWaalsContact OH-C 3.26Å; Y2046-A2131 PolarHBondContact OH-O 3.14Å; Y2046-M2132 HydrophobicContact CD1-CB 4.12Å; Y2046-M2132 HydrophobicContact CD1-CE 3.88Å; Y2046-M2132 HydrophobicContact CD2-CB 4.49Å; Y2046-M2132 HydrophobicContact CD2-CE 3.49Å; Y2046-M2132 VanDerWaalsContact CD2-CE 3.49Å; Y2046-M2132 HydrophobicContact CD2-CG 4.3Å; Y2046-M2132 HydrophobicContact CE1-CB 3.69Å; Y2046-M2132 HydrophobicContact CE1-CG 4.49Å; Y2046-M2132 HydrophobicContact CE2-CB 4.06Å; Y2046-M2132 HydrophobicContact CE2-CE 4.22Å; Y2046-M2132 HydrophobicContact CE2-CG 4.09Å; Y2046-M2132 HydrophobicContact CG-CE 3.28Å; Y2046-M2132 VanDerWaalsContact CZ-CA 3.49Å; Y2046-M2132 VanDerWaalsContact OH-CA 3.27Å; Y2046-M2132 WeakPolarHBondContact OH-CA 3.38Å; Y2046-M2132 PolarHBondContact OH-N 3.47Å; Y2046-K2135 HydrophobicContact CE2-CD 4.02Å
2047P85.1Confident83.6Confident39 Ų3934.8 Ų34.825%0.25321%0.206SC..  trans-55.7146.8174.2-23.132.9000112.2L2049 P2123P2047-L2049 PolarHBondContact O-N 2.93Å; P2047-P2123 HydrophobicContact CB-CG 4.01Å
2048P86.2Confident81.8Confident35 Ų3540 Ų4023%0.22723%0.234CC..  trans-58.7133.5-177.425.6-33.8000110.5I2041 E2051 W2122I2041-P2048 CarbonylContact O-C 3.55Å; P2048-E2051 HydrophobicContact CG-CB 4.5Å; P2048-W2122 VanDerWaalsContact O-CD1 3.28Å
2049L86.2Confident79.8Confident2 Ų248.6 Ų48.61%0.0127%0.273CS..SBendtrans-69.4-45173.7-60.3171.2000109.5I2041 I2043 P2047 W2122 F2144 L2250 W2263I2041-L2049 PolarHBondContact O-N 3.44Å; I2043-L2049 HydrophobicContact CD1-CD1 3.93Å; I2043-L2049 HydrophobicContact CG1-CD1 3.89Å; P2047-L2049 PolarHBondContact O-N 2.93Å; L2049-W2122 HydrophobicContact CD2-CZ2 3.81Å; L2049-F2144 HydrophobicContact CD1-CE2 3.95Å; L2049-L2250 HydrophobicContact CD1-CD1 3.93Å; L2049-W2263 HydrophobicContact CB-CD2 4.34Å; L2049-W2263 HydrophobicContact CB-CG 4.12Å; L2049-W2263 HydrophobicContact CD2-CD2 4.45Å; L2049-W2263 HydrophobicContact CD2-CZ2 3.77Å; L2049-W2263 VanDerWaalsContact O-CB 3.29Å; L2049-W2263 WeakPolarHBondContact O-CB 3.43Å
2050Y89.5Confident77.8Confident0 Ų055.3 Ų55.30%031%0.309CS..EExtended strand (participates in β ladder)trans-132.4128.5-180170.3-82000109.2L2039 R2040 I2041 M2052 F2114 R2115 A2265 L2292L2039-Y2050 HydrophobicContact CD2-CE1 3.96Å; L2039-Y2050 HydrophobicContact CG-CE1 4.33Å; R2040-Y2050 WeakPolarHBondContact CA-O 3.46Å; I2041-Y2050 HydrophobicContact CB-CD1 4.49Å; I2041-Y2050 HydrophobicContact CD1-CD1 3.61Å; I2041-Y2050 HydrophobicContact CD1-CE1 4.3Å; I2041-Y2050 HydrophobicContact CD1-CG 4.12Å; I2041-Y2050 HydrophobicContact CG1-CD1 4Å; I2041-Y2050 PolarHBondContact N-O 3.41Å; I2041-Y2050 PolarHBondContact O-N 3.39Å; Y2050-M2052 HydrophobicContact CE1-CB 3.64Å; Y2050-M2052 HydrophobicContact CE2-CB 4.42Å; Y2050-M2052 VanDerWaalsContact OH-CB 3.3Å; Y2050-M2052 WeakPolarHBondContact OH-CB 3.04Å; Y2050-F2114 WeakPolarHBondContact OH-CB 3.26Å; Y2050-R2115 WeakPolarHBondContact CE2-O 3.25Å; Y2050-R2115 PolarHBondContact OH-O 3.48Å; Y2050-A2265 HydrophobicContact CD1-CB 4.37Å; Y2050-A2265 HydrophobicContact CD2-CB 3.65Å; Y2050-A2265 HydrophobicContact CE1-CB 4.46Å; Y2050-A2265 HydrophobicContact CE2-CB 3.76Å; Y2050-A2265 HydrophobicContact CG-CB 3.97Å; Y2050-L2292 HydrophobicContact CE1-CD2 4.42Å
2051E90.1Very high76.1Confident37 Ų3754.5 Ų54.517%0.17331%0.312CS..EExtended strand (participates in β ladder)trans-133127.1174.2-178159.7-157.400108.1R2040 P2048 S2118 E2119 I2120R2040-E2051 HydrophobicContact CG-CG 4.3Å; R2040-E2051 IonicContact CZ-OE1 3.7Å; R2040-E2051 VanDerWaalsContact CZ-OE1 3.29Å; R2040-E2051 IonicContact NE-OE1 3.68Å; R2040-E2051 PolarHBondContact NE-OE1 3.14Å; R2040-E2051 IonicContact NH2-OE1 3.86Å; R2040-E2051 PolarHBondContact NH2-OE1 3.12Å; P2048-E2051 HydrophobicContact CG-CB 4.5Å; E2051-S2118 PolarHBondContact N-OG 3.47Å; E2051-S2118 PolarHBondContact O-OG 3.26Å; E2051-E2119 WeakPolarHBondContact O-CB 3.37Å; E2051-E2119 PolarHBondContact O-N 3.27Å; E2051-I2120 HydrophobicContact CB-CD1 4.46Å; E2051-I2120 HydrophobicContact CG-CD1 4.18Å; E2051-I2120 WeakPolarHBondContact OE2-CD1 3.11Å
2052M89.3Confident74.8Confident7 Ų757.1 Ų57.13%0.03433%0.334CS..EExtended strand (participates in β ladder)trans-143.9130.1179.9179.558.651.800110.3L2039 Y2050 F2114 R2115 E2117 E2119L2039-M2052 PolarHBondContact N-O 3.13Å; L2039-M2052 PolarHBondContact O-N 3.14Å; L2039-M2052 VanDerWaalsContact O-N 3.1Å; Y2050-M2052 HydrophobicContact CE1-CB 3.64Å; Y2050-M2052 HydrophobicContact CE2-CB 4.42Å; Y2050-M2052 VanDerWaalsContact OH-CB 3.3Å; Y2050-M2052 WeakPolarHBondContact OH-CB 3.04Å; M2052-F2114 HydrophobicContact CB-CB 4.45Å; M2052-F2114 HydrophobicContact CB-CD1 4.29Å; M2052-F2114 HydrophobicContact CG-CB 3.87Å; M2052-F2114 HydrophobicContact CG-CD1 3.93Å; M2052-F2114 HydrophobicContact CG-CG 4.41Å; M2052-R2115 HydrophobicContact CE-CB 3.64Å; M2052-R2115 HydrophobicContact CE-CG 4.3Å; M2052-R2115 HydrophobicContact SD-CB 3.89Å; M2052-R2115 HydrophobicContact SD-CG 4Å; M2052-E2117 WeakPolarHBondContact CE-O 3.27Å; M2052-E2119 HydrophobicContact CE-CB 3.97Å
2053E87.4Confident74Confident46 Ų4657.4 Ų57.422%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-103.7121171.8-170173.613900110K2036 T2038 Q2055 E2119K2036-E2053 HydrophobicContact CB-CG 4.01Å; K2036-E2053 VanDerWaalsContact CD-CD 3.47Å; K2036-E2053 HydrophobicContact CD-CG 4.21Å; K2036-E2053 WeakPolarHBondContact CD-OE1 3.32Å; K2036-E2053 IonicContact NZ-OE2 3.34Å; T2038-E2053 HydrophobicContact CG2-CB 4.28Å; T2038-E2053 HydrophobicContact CG2-CG 3.89Å; E2053-Q2055 HydrophobicContact CG-CG 3.92Å; E2053-Q2055 WeakPolarHBondContact OE1-CG 3.48Å; E2053-Q2055 PolarHBondContact OE1-NE2 2.85Å; E2053-E2119 PolarHBondContact N-OE2 3.34Å
2054A83.3Confident73.6Confident1 Ų158.6 Ų58.61%0.00834%0.34CS..EExtended strand (participates in β ladder)trans-91.9120.1168.900000108.7K2036 V2037 E2063 L2064 V2112 F2114K2036-A2054 WeakPolarHBondContact CA-O 3.32Å; V2037-A2054 PolarHBondContact N-O 2.86Å; V2037-A2054 PolarHBondContact O-N 3.21Å; A2054-E2063 HydrophobicContact CB-CB 4.34Å; A2054-L2064 VanDerWaalsContact C-CD1 3.44Å; A2054-L2064 HydrophobicContact CB-CD1 3.85Å; A2054-L2064 VanDerWaalsContact O-CD1 3.3Å; A2054-L2064 WeakPolarHBondContact O-CD1 3.35Å; A2054-V2112 HydrophobicContact CB-CG1 3.97Å; A2054-F2114 HydrophobicContact CB-CD1 4.12Å; A2054-F2114 HydrophobicContact CB-CE1 4.07Å
2055Q75.1Confident73.2Confident101 Ų10155.7 Ų55.747%0.47233%0.331SS..EExtended strand (participates in β ladder)trans-114143.3-176-65.6-177.7-1200112E2053 E2063 L2064E2053-Q2055 HydrophobicContact CG-CG 3.92Å; E2053-Q2055 WeakPolarHBondContact OE1-CG 3.48Å; E2053-Q2055 PolarHBondContact OE1-NE2 2.85Å; Q2055-E2063 PolarHBondContact N-OE2 2.88Å; Q2055-L2064 VanDerWaalsContact C-CD1 3.5Å
2056G60.3Low73.3Confident32 Ų3256.7 Ų56.733%0.3332%0.317SS..  trans-144.993.5-178.300000113.4E2035E2035-G2056 PolarHBondContact O-N 2.73Å
2057S52.2Low73.1Confident110 Ų11055 Ų5577%0.76931%0.311SS*.SBendtrans-119.4-15.1170.8-179.30000113.9
2058N50.1Low73Confident109 Ų10959.5 Ų59.558%0.58333%0.326SS*.SBendtrans-132.7141.7-176.1-77.8-22.7000110.7D2060 N2061N2058-D2060 PolarHBondContact O-N 2.94Å; N2058-N2061 PolarHBondContact O-N 3.44Å; N2058-N2061 VanDerWaalsContact O-N 3.12Å
2059H49.7Very low72.9Confident192 Ų19261.8 Ų61.889%0.88934%0.341SS*.THydrogen-bonded Turntrans-56.2-9.1180-164.5-73.7000114
2060D49.3Very low72.6Confident143 Ų14367.7 Ų67.777%0.76537%0.373SS*.THydrogen-bonded Turntrans-96.5-13.4-176.7-60.5-26.3000114.1N2058 A2062N2058-D2060 PolarHBondContact O-N 2.94Å; D2060-A2062 PolarHBondContact O-N 3.4Å
2061N54.9Low72.2Confident82 Ų8269.9 Ų69.944%0.43938%0.383SS..  trans-93108.2-177.4-65.8-5.3000110.4N2058 E2063N2058-N2061 PolarHBondContact O-N 3.44Å; N2058-N2061 VanDerWaalsContact O-N 3.12Å; N2061-E2063 PolarHBondContact O-N 3.3Å
2062A61.8Low71.9Confident56 Ų5669.7 Ų69.746%0.46338%0.383SS..THydrogen-bonded Turntrans-69.15.2-173.600000116D2060 R2113D2060-A2062 PolarHBondContact O-N 3.4Å; A2062-R2113 WeakPolarHBondContact O-CD 3.45Å; A2062-R2113 PolarHBondContact O-NH1 3.11Å
2063E72Confident71.7Confident18 Ų1872.1 Ų72.18%0.08440%0.404CS..THydrogen-bonded Turntrans-81.1-39.3-172.7-64.4-179.517700113.5A2054 Q2055 N2061 R2113 R2115A2054-E2063 HydrophobicContact CB-CB 4.34Å; Q2055-E2063 PolarHBondContact N-OE2 2.88Å; N2061-E2063 PolarHBondContact O-N 3.3Å; E2063-R2113 PolarHBondContact O-N 3.04Å; E2063-R2115 IonicContact OE1-CZ 3.52Å; E2063-R2115 IonicContact OE1-NE 2.88Å; E2063-R2115 PolarHBondContact OE1-NE 3.24Å; E2063-R2115 IonicContact OE1-NH2 3.22Å; E2063-R2115 PolarHBondContact OE1-NH2 3.12Å
2064L76.5Confident71.4Confident30 Ų3072.6 Ų72.616%0.15741%0.413CS..EExtended strand (participates in β ladder)trans-111.5106.3168.2-85.189.8000109.3P2034 V2037 A2054 Q2055 L2110P2034-L2064 HydrophobicContact CG-CD2 4.21Å; P2034-L2064 WeakPolarHBondContact O-CD2 3.32Å; V2037-L2064 HydrophobicContact CG2-CD2 4.34Å; A2054-L2064 VanDerWaalsContact C-CD1 3.44Å; A2054-L2064 HydrophobicContact CB-CD1 3.85Å; A2054-L2064 VanDerWaalsContact O-CD1 3.3Å; A2054-L2064 WeakPolarHBondContact O-CD1 3.35Å; Q2055-L2064 VanDerWaalsContact C-CD1 3.5Å; L2064-L2110 HydrophobicContact CB-CD1 4.48Å; L2064-L2110 HydrophobicContact CD2-CD1 4.42Å; L2064-L2110 HydrophobicContact CD2-CD2 3.85Å; L2064-L2110 HydrophobicContact CG-CD2 4.36Å
2065G73.6Confident71.4Confident17 Ų1772.7 Ų72.718%0.17541%0.413CS..EExtended strand (participates in β ladder)trans-122.1140.5179.600000112.8I2111G2065-I2111 PolarHBondContact N-O 3.34Å; G2065-I2111 WeakPolarHBondContact O-CA 3.4Å; G2065-I2111 WeakPolarHBondContact O-CB 3.31Å; G2065-I2111 PolarHBondContact O-N 2.95Å
2066M79.9Confident71.9Confident94 Ų9470.4 Ų70.446%0.46340%0.404SS..EExtended strand (participates in β ladder)trans-70.8151.2171.4-65.9177-82.200111.3M2033 K2068M2033-M2066 HydrophobicContact CE-CG 4.48Å; M2033-M2066 HydrophobicContact CE-SD 3.87Å; M2066-K2068 PolarHBondContact O-N 3.35Å
2067I83Confident73Confident3 Ų374.1 Ų74.12%0.01541%0.413CS..PPolyproline II helixtrans-65.4133.2173.6-163.5167000110.3Q2071 L2072 I2109 I2111 I2279I2067-Q2071 HydrophobicContact CD1-CB 4.34Å; I2067-Q2071 HydrophobicContact CG1-CB 3.82Å; I2067-L2072 HydrophobicContact CD1-CB 4.14Å; I2067-L2072 HydrophobicContact CD1-CD1 4.42Å; I2067-L2072 HydrophobicContact CG1-CB 4.39Å; I2067-L2072 HydrophobicContact CG2-CB 4.33Å; I2067-I2109 HydrophobicContact CB-CB 4.23Å; I2067-I2109 HydrophobicContact CB-CG2 3.92Å; I2067-I2109 HydrophobicContact CD1-CG2 4.06Å; I2067-I2109 HydrophobicContact CG2-CB 3.62Å; I2067-I2109 HydrophobicContact CG2-CD1 4.28Å; I2067-I2109 HydrophobicContact CG2-CG2 3.82Å; I2067-I2109 PolarHBondContact N-O 3.07Å; I2067-I2109 VanDerWaalsContact N-O 3.08Å; I2067-I2111 HydrophobicContact CB-CD1 4.35Å; I2067-I2111 HydrophobicContact CG1-CD1 4.32Å; I2067-I2279 HydrophobicContact CD1-CD1 4.11Å
2068K82.5Confident74.3Confident134 Ų13469.5 Ų69.558%0.58338%0.381SS*.PPolyproline II helixtrans-70.7146.6173.6-68.1-177.4178.6-177.30110.2M2066 D2070 Q2071 L2072M2066-K2068 PolarHBondContact O-N 3.35Å; K2068-D2070 PolarHBondContact O-N 3.3Å; K2068-Q2071 HydrophobicContact CB-CB 4.33Å; K2068-Q2071 HydrophobicContact CB-CG 4.1Å; K2068-Q2071 WeakPolarHBondContact O-CB 3.39Å; K2068-Q2071 PolarHBondContact O-N 3.02Å; K2068-L2072 PolarHBondContact O-N 2.61Å
2069P84.1Confident75.7Confident83 Ų8364.3 Ų64.354%0.53935%0.354SS..Hα-helixtrans-56.4-36.5177.421.4-32.3000112.4Q2071 L2072 A2073P2069-Q2071 VanDerWaalsContact C-N 3.35Å; P2069-Q2071 PolarHBondContact O-N 3.13Å; P2069-L2072 PolarHBondContact O-N 2.95Å; P2069-A2073 WeakPolarHBondContact O-CB 3.4Å; P2069-A2073 PolarHBondContact O-N 3.29Å
2070D80.8Confident77.2Confident127 Ų12758 Ų5868%0.67933%0.329SS*.Hα-helixtrans-65-38.3176.1-56.7-22.3000112.5K2068 A2073 S2074K2068-D2070 PolarHBondContact O-N 3.3Å; D2070-A2073 PolarHBondContact O-N 3.28Å; D2070-S2074 WeakPolarHBondContact O-CB 3.36Å; D2070-S2074 PolarHBondContact O-N 3.49Å
2071Q80.3Confident78.5Confident46 Ų4656 Ų5622%0.21532%0.318CS..Hα-helixtrans-70.5-42.1177.9-69.6177.5-38.700110.7I2067 K2068 P2069 A2073 S2074 L2075I2067-Q2071 HydrophobicContact CD1-CB 4.34Å; I2067-Q2071 HydrophobicContact CG1-CB 3.82Å; K2068-Q2071 HydrophobicContact CB-CB 4.33Å; K2068-Q2071 HydrophobicContact CB-CG 4.1Å; K2068-Q2071 WeakPolarHBondContact O-CB 3.39Å; K2068-Q2071 PolarHBondContact O-N 3.02Å; P2069-Q2071 VanDerWaalsContact C-N 3.35Å; P2069-Q2071 PolarHBondContact O-N 3.13Å; Q2071-A2073 VanDerWaalsContact C-N 3.34Å; Q2071-A2073 PolarHBondContact O-N 3Å; Q2071-S2074 WeakPolarHBondContact CA-OG 3.37Å; Q2071-S2074 PolarHBondContact O-N 2.7Å; Q2071-S2074 PolarHBondContact O-OG 2.72Å; Q2071-L2075 WeakPolarHBondContact O-CB 3.44Å; Q2071-L2075 PolarHBondContact O-N 2.84Å
2072L84.8Confident79.1Confident32 Ų3252.6 Ų52.617%0.16830%0.3CS..Hα-helixtrans-62.4-40.9173.6-178.760.8000111.6I2067 K2068 P2069 S2074 L2075 N2076 L2101 I2109I2067-L2072 HydrophobicContact CD1-CB 4.14Å; I2067-L2072 HydrophobicContact CD1-CD1 4.42Å; I2067-L2072 HydrophobicContact CG1-CB 4.39Å; I2067-L2072 HydrophobicContact CG2-CB 4.33Å; K2068-L2072 PolarHBondContact O-N 2.61Å; P2069-L2072 PolarHBondContact O-N 2.95Å; L2072-S2074 VanDerWaalsContact C-N 3.34Å; L2072-L2075 PolarHBondContact O-N 2.88Å; L2072-N2076 VanDerWaalsContact O-CB 3.27Å; L2072-N2076 WeakPolarHBondContact O-CB 3.24Å; L2072-N2076 PolarHBondContact O-N 3.24Å; L2072-L2101 HydrophobicContact CD1-CD1 3.73Å; L2072-L2101 HydrophobicContact CD1-CD2 4.12Å; L2072-L2101 HydrophobicContact CD1-CG 4.02Å; L2072-I2109 HydrophobicContact CD1-CD1 3.65Å
2073A83.7Confident79.6Confident58 Ų5854.8 Ų54.848%0.47930%0.298SS..Hα-helixtrans-62.2-42.3174.800000111.5P2069 D2070 Q2071 N2076 Q2077P2069-A2073 WeakPolarHBondContact O-CB 3.4Å; P2069-A2073 PolarHBondContact O-N 3.29Å; D2070-A2073 PolarHBondContact O-N 3.28Å; Q2071-A2073 VanDerWaalsContact C-N 3.34Å; Q2071-A2073 PolarHBondContact O-N 3Å; A2073-N2076 PolarHBondContact O-N 2.92Å; A2073-Q2077 WeakPolarHBondContact O-CB 3.35Å; A2073-Q2077 PolarHBondContact O-N 3.48Å
2074S81.4Confident79.5Confident57 Ų5756.1 Ų56.140%0.39931%0.307SS..Hα-helixtrans-65.6-39.3176.674.50000113.1D2070 Q2071 L2072 Q2077 A2078D2070-S2074 WeakPolarHBondContact O-CB 3.36Å; D2070-S2074 PolarHBondContact O-N 3.49Å; Q2071-S2074 WeakPolarHBondContact CA-OG 3.37Å; Q2071-S2074 PolarHBondContact O-N 2.7Å; Q2071-S2074 PolarHBondContact O-OG 2.72Å; L2072-S2074 VanDerWaalsContact C-N 3.34Å; S2074-Q2077 PolarHBondContact O-N 3.15Å; S2074-A2078 WeakPolarHBondContact O-CB 3.36Å; S2074-A2078 PolarHBondContact O-N 3.49Å
2075L83.2Confident79Confident3 Ų360.3 Ų60.32%0.01633%0.334CS..Hα-helixtrans-67.6-43.7175.9-179.565.1000111.4Q2071 L2072 Q2077 A2078 L2079 L2101 F2203Q2071-L2075 WeakPolarHBondContact O-CB 3.44Å; Q2071-L2075 PolarHBondContact O-N 2.84Å; L2072-L2075 PolarHBondContact O-N 2.88Å; L2075-Q2077 VanDerWaalsContact C-N 3.34Å; L2075-Q2077 PolarHBondContact O-N 3.02Å; L2075-A2078 PolarHBondContact O-N 3.38Å; L2075-L2079 HydrophobicContact CD1-CD1 4.33Å; L2075-L2079 HydrophobicContact CG-CD1 4.22Å; L2075-L2079 WeakPolarHBondContact O-CG 3.31Å; L2075-L2079 PolarHBondContact O-N 3.48Å; L2075-L2101 HydrophobicContact CD2-CD1 4.03Å; L2075-L2101 HydrophobicContact CG-CD2 4.46Å; L2075-F2203 HydrophobicContact CD1-CZ 4.29Å
2076N86.1Confident78.7Confident53 Ų5370.7 Ų70.728%0.28337%0.368SS..Hα-helixtrans-62.1-42.5176.2-172.527.3000111.3L2072 A2073 L2079 T2080 L2101L2072-N2076 VanDerWaalsContact O-CB 3.27Å; L2072-N2076 WeakPolarHBondContact O-CB 3.24Å; L2072-N2076 PolarHBondContact O-N 3.24Å; A2073-N2076 PolarHBondContact O-N 2.92Å; N2076-L2079 PolarHBondContact O-N 2.98Å; N2076-T2080 VanDerWaalsContact O-CB 3.28Å; N2076-T2080 WeakPolarHBondContact O-CB 3.45Å; N2076-T2080 PolarHBondContact O-N 3.11Å; N2076-T2080 PolarHBondContact O-OG1 3.28Å; N2076-L2101 HydrophobicContact CB-CD2 3.6Å
2077Q83.7Confident78.2Confident110 Ų11068.8 Ų68.851%0.51436%0.359SS..Hα-helixtrans-63-44.9174.7-173.8174.3600111.3A2073 S2074 L2075 L2079 T2080 D2081A2073-Q2077 WeakPolarHBondContact O-CB 3.35Å; A2073-Q2077 PolarHBondContact O-N 3.48Å; S2074-Q2077 PolarHBondContact O-N 3.15Å; L2075-Q2077 VanDerWaalsContact C-N 3.34Å; L2075-Q2077 PolarHBondContact O-N 3.02Å; Q2077-L2079 PolarHBondContact O-N 3.46Å; Q2077-T2080 PolarHBondContact O-N 3.48Å; Q2077-D2081 WeakPolarHBondContact O-CB 3.46Å; Q2077-D2081 PolarHBondContact O-N 2.94Å
2078A78Confident77.8Confident12 Ų1273.7 Ų73.710%0.09939%0.389CS..Hα-helixtrans-61.6-41178.300000113.1S2074 L2075 D2081 S2082 K2276 L2277S2074-A2078 WeakPolarHBondContact O-CB 3.36Å; S2074-A2078 PolarHBondContact O-N 3.49Å; L2075-A2078 PolarHBondContact O-N 3.38Å; A2078-D2081 PolarHBondContact O-N 3.02Å; A2078-S2082 WeakPolarHBondContact O-CB 3.34Å; A2078-S2082 PolarHBondContact O-N 3.49Å; A2078-S2082 VanDerWaalsContact O-N 3.16Å; A2078-S2082 PolarHBondContact O-OG 3.47Å; A2078-K2276 HydrophobicContact CB-CB 4.34Å; A2078-K2276 WeakPolarHBondContact CB-O 3.25Å; A2078-L2277 HydrophobicContact CB-CD1 4.38Å
2079L80.5Confident77.3Confident1 Ų172 Ų721%0.00539%0.387CS..Hα-helixtrans-74.8-26.1176.2-69.6170.6000113.3L2075 N2076 Q2077 S2082 S2094 V2098 L2101 T2221 L2277L2075-L2079 HydrophobicContact CD1-CD1 4.33Å; L2075-L2079 HydrophobicContact CG-CD1 4.22Å; L2075-L2079 WeakPolarHBondContact O-CG 3.31Å; L2075-L2079 PolarHBondContact O-N 3.48Å; N2076-L2079 PolarHBondContact O-N 2.98Å; Q2077-L2079 PolarHBondContact O-N 3.46Å; L2079-S2082 WeakPolarHBondContact CA-OG 3.15Å; L2079-S2082 PolarHBondContact O-OG 3.33Å; L2079-S2094 PolarHBondContact O-OG 3.46Å; L2079-V2098 HydrophobicContact CB-CG2 4.3Å; L2079-L2101 HydrophobicContact CD1-CD2 4.24Å; L2079-T2221 HydrophobicContact CD2-CG2 4.41Å; L2079-L2277 HydrophobicContact CD2-CD1 4.1Å
2080T81.4Confident76.6Confident59 Ų5968.2 Ų68.236%0.36236%0.362SS..Hα-helixtrans-72.9-33.3172.4-59.60000110.9N2076 Q2077 Y2083 V2098N2076-T2080 VanDerWaalsContact O-CB 3.28Å; N2076-T2080 WeakPolarHBondContact O-CB 3.45Å; N2076-T2080 PolarHBondContact O-N 3.11Å; N2076-T2080 PolarHBondContact O-OG1 3.28Å; Q2077-T2080 PolarHBondContact O-N 3.48Å; T2080-Y2083 WeakPolarHBondContact O-CD1 3.45Å; T2080-Y2083 WeakPolarHBondContact O-CE1 3.41Å; T2080-V2098 WeakPolarHBondContact OG1-CG2 3.21Å
2081D76.3Confident76.5Confident102 Ų10264.6 Ų64.655%0.54534%0.342SS..Hα-helixtrans-85.7-13.6-179.2-66.6-17.4000112.9Q2077 A2078 Y2083Q2077-D2081 WeakPolarHBondContact O-CB 3.46Å; Q2077-D2081 PolarHBondContact O-N 2.94Å; A2078-D2081 PolarHBondContact O-N 3.02Å; D2081-Y2083 VanDerWaalsContact C-N 3.34Å; D2081-Y2083 PolarHBondContact O-N 3.47Å; D2081-Y2083 VanDerWaalsContact O-N 3.13Å
2082S67.4Low76.5Confident9 Ų967.1 Ų67.16%0.06336%0.357CS..  trans-8758.5-177.866.70000113.4A2078 L2079 T2221A2078-S2082 WeakPolarHBondContact O-CB 3.34Å; A2078-S2082 PolarHBondContact O-N 3.49Å; A2078-S2082 VanDerWaalsContact O-N 3.16Å; A2078-S2082 PolarHBondContact O-OG 3.47Å; L2079-S2082 WeakPolarHBondContact CA-OG 3.15Å; L2079-S2082 PolarHBondContact O-OG 3.33Å; S2082-T2221 WeakPolarHBondContact OG-CG2 3.39Å
2083Y73.2Confident76.3Confident103 Ų10367.8 Ų67.840%0.40436%0.357SS..  trans-138.5152.6169.871-84.9000111.5T2080 D2081 T2085 I2091T2080-Y2083 WeakPolarHBondContact O-CD1 3.45Å; T2080-Y2083 WeakPolarHBondContact O-CE1 3.41Å; D2081-Y2083 VanDerWaalsContact C-N 3.34Å; D2081-Y2083 PolarHBondContact O-N 3.47Å; D2081-Y2083 VanDerWaalsContact O-N 3.13Å; Y2083-T2085 HydrophobicContact CE2-CG2 3.91Å; Y2083-I2091 HydrophobicContact CD2-CG1 3.73Å; Y2083-I2091 HydrophobicContact CE2-CG1 4.46Å; Y2083-I2091 HydrophobicContact CG-CG1 4.34Å
2084T69.7Low76.1Confident46 Ų4665.4 Ų65.428%0.28234%0.337SS..  trans-96.9120.5175.3-50.80000108.8R2086 D2087 S2090T2084-R2086 HydrophobicContact CG2-CB 4.45Å; T2084-R2086 PolarHBondContact O-N 2.98Å; T2084-D2087 PolarHBondContact O-N 3.35Å; T2084-S2090 WeakPolarHBondContact CA-OG 3.42Å; T2084-S2090 WeakPolarHBondContact CB-OG 3.32Å; T2084-S2090 PolarHBondContact N-OG 3.49Å; T2084-S2090 PolarHBondContact O-OG 2.91Å
2085T65.5Low76.2Confident117 Ų11771.2 Ų71.272%0.71835%0.35SS*.THydrogen-bonded Turntrans-56.6-18-178.452.50000114.6Y2083Y2083-T2085 HydrophobicContact CE2-CG2 3.91Å
2086R67.7Low76.2Confident236 Ų23674.5 Ų74.589%0.89137%0.367SS*.THydrogen-bonded Turntrans-94.6-18.7177.3-75.9-175.6174.2167.2-1.7115.5T2084T2084-R2086 HydrophobicContact CG2-CB 4.45Å; T2084-R2086 PolarHBondContact O-N 2.98Å
2087D68Low76Confident53 Ų5372 Ų7228%0.28335%0.353SS..  trans-109.2107.1-172.8-177.411.8000110T2084 N2089 S2090 I2091 R2093T2084-D2087 PolarHBondContact O-N 3.35Å; D2087-N2089 PolarHBondContact O-N 3.04Å; D2087-N2089 WeakPolarHBondContact OD1-CB 3.47Å; D2087-N2089 PolarHBondContact OD1-N 3.44Å; D2087-N2089 VanDerWaalsContact OD1-N 3.15Å; D2087-S2090 WeakPolarHBondContact O-CA 3.44Å; D2087-S2090 WeakPolarHBondContact O-CB 3.41Å; D2087-S2090 PolarHBondContact O-N 2.71Å; D2087-S2090 PolarHBondContact O-OG 2.94Å; D2087-I2091 PolarHBondContact O-N 3.36Å; D2087-R2093 IonicContact OD2-NH2 2.69Å; D2087-R2093 PolarHBondContact OD2-NH2 3.37Å
2088T76Confident76.1Confident106 Ų10667.8 Ų67.865%0.6534%0.335SS*.Hα-helixtrans-57.8-33.1178.449.20000111.9S2090 I2091 L2092T2088-S2090 VanDerWaalsContact C-N 3.32Å; T2088-I2091 PolarHBondContact O-N 2.81Å; T2088-L2092 WeakPolarHBondContact O-CB 3.45Å; T2088-L2092 PolarHBondContact O-N 3.25Å
2089N70.7Confident76.5Confident99 Ų9971.1 Ų71.153%0.52936%0.357SS..Hα-helixtrans-67.5-36.2175.8-63.2-43.6000110.8D2087 L2092 R2093D2087-N2089 PolarHBondContact O-N 3.04Å; D2087-N2089 WeakPolarHBondContact OD1-CB 3.47Å; D2087-N2089 PolarHBondContact OD1-N 3.44Å; D2087-N2089 VanDerWaalsContact OD1-N 3.15Å; N2089-L2092 PolarHBondContact O-N 3.34Å; N2089-R2093 WeakPolarHBondContact O-CB 3.39Å; N2089-R2093 VanDerWaalsContact O-CG 3.24Å; N2089-R2093 WeakPolarHBondContact O-CG 3.4Å; N2089-R2093 PolarHBondContact O-N 2.94Å
2090S71.1Confident76.8Confident3 Ų373 Ų732%0.02137%0.365CS..Hα-helixtrans-67.7-38.5176.479.30000113T2084 D2087 T2088 L2092 R2093 S2094T2084-S2090 WeakPolarHBondContact CA-OG 3.42Å; T2084-S2090 WeakPolarHBondContact CB-OG 3.32Å; T2084-S2090 PolarHBondContact N-OG 3.49Å; T2084-S2090 PolarHBondContact O-OG 2.91Å; D2087-S2090 WeakPolarHBondContact O-CA 3.44Å; D2087-S2090 WeakPolarHBondContact O-CB 3.41Å; D2087-S2090 PolarHBondContact O-N 2.71Å; D2087-S2090 PolarHBondContact O-OG 2.94Å; T2088-S2090 VanDerWaalsContact C-N 3.32Å; S2090-L2092 VanDerWaalsContact C-N 3.35Å; S2090-R2093 PolarHBondContact O-N 2.75Å; S2090-S2094 PolarHBondContact O-N 2.68Å
2091I78.4Confident77Confident51 Ų5170.5 Ų70.526%0.26235%0.349SS..Hα-helixtrans-65-42.5173.3-64169.6000110.1Y2083 D2087 T2088 R2095Y2083-I2091 HydrophobicContact CD2-CG1 3.73Å; Y2083-I2091 HydrophobicContact CE2-CG1 4.46Å; Y2083-I2091 HydrophobicContact CG-CG1 4.34Å; D2087-I2091 PolarHBondContact O-N 3.36Å; T2088-I2091 PolarHBondContact O-N 2.81Å; I2091-R2095 HydrophobicContact CG2-CG 4.4Å; I2091-R2095 WeakPolarHBondContact O-CB 3.49Å; I2091-R2095 VanDerWaalsContact O-CG 3.26Å; I2091-R2095 WeakPolarHBondContact O-CG 3.32Å; I2091-R2095 PolarHBondContact O-N 3.41Å
2092L80.3Confident77.4Confident100 Ų10073.3 Ų73.352%0.52436%0.356SS..Hα-helixtrans-64.6-42.7177.6-167.7121.3000111.1T2088 N2089 S2090 R2095 M2096T2088-L2092 WeakPolarHBondContact O-CB 3.45Å; T2088-L2092 PolarHBondContact O-N 3.25Å; N2089-L2092 PolarHBondContact O-N 3.34Å; S2090-L2092 VanDerWaalsContact C-N 3.35Å; L2092-R2095 PolarHBondContact O-N 3.04Å; L2092-M2096 HydrophobicContact CD2-CE 3.76Å; L2092-M2096 HydrophobicContact CD2-CG 4.48Å; L2092-M2096 HydrophobicContact CD2-SD 3.85Å; L2092-M2096 WeakPolarHBondContact O-CB 3.36Å; L2092-M2096 VanDerWaalsContact O-CG 3.22Å; L2092-M2096 WeakPolarHBondContact O-CG 3.42Å; L2092-M2096 PolarHBondContact O-N 2.99Å
2093R79.6Confident78Confident45 Ų4575.9 Ų75.917%0.1738%0.384CS..Hα-helixtrans-58.4-51.6173.6-75-173.2-61.4-125.40.3112.1D2087 N2089 S2090 R2095 M2096 S2097 N2220 T2221 N2224D2087-R2093 IonicContact OD2-NH2 2.69Å; D2087-R2093 PolarHBondContact OD2-NH2 3.37Å; N2089-R2093 WeakPolarHBondContact O-CB 3.39Å; N2089-R2093 VanDerWaalsContact O-CG 3.24Å; N2089-R2093 WeakPolarHBondContact O-CG 3.4Å; N2089-R2093 PolarHBondContact O-N 2.94Å; S2090-R2093 PolarHBondContact O-N 2.75Å; R2093-R2095 PolarHBondContact O-N 3.14Å; R2093-M2096 HydrophobicContact CG-CE 4.32Å; R2093-M2096 PolarHBondContact O-N 3.28Å; R2093-S2097 PolarHBondContact O-N 3.5Å; R2093-S2097 PolarHBondContact O-OG 3.1Å; R2093-N2220 WeakPolarHBondContact CD-O 3.49Å; R2093-T2221 PolarHBondContact O-OG1 2.84Å; R2093-N2224 PolarHBondContact NH2-O 3.44Å
2094S80.5Confident78.5Confident8 Ų872.5 Ų72.56%0.05637%0.371CS..Hα-helixtrans-60-44.7176.2167.70000112L2079 S2090 M2096 S2097 V2098L2079-S2094 PolarHBondContact O-OG 3.46Å; S2090-S2094 PolarHBondContact O-N 2.68Å; S2094-M2096 PolarHBondContact O-N 3.41Å; S2094-S2097 PolarHBondContact O-N 2.86Å; S2094-V2098 WeakPolarHBondContact O-CG2 3.16Å; S2094-V2098 PolarHBondContact O-N 3.37Å
2095R83.9Confident79.1Confident179 Ų17972.9 Ų72.968%0.67537%0.373SS*.Hα-helixtrans-62.9-40.1175.9-76.5178.1177.7-175.70.1112.9I2091 L2092 R2093 S2097 S2099I2091-R2095 HydrophobicContact CG2-CG 4.4Å; I2091-R2095 WeakPolarHBondContact O-CB 3.49Å; I2091-R2095 VanDerWaalsContact O-CG 3.26Å; I2091-R2095 WeakPolarHBondContact O-CG 3.32Å; I2091-R2095 PolarHBondContact O-N 3.41Å; L2092-R2095 PolarHBondContact O-N 3.04Å; R2093-R2095 PolarHBondContact O-N 3.14Å; R2095-S2097 VanDerWaalsContact C-N 3.33Å; R2095-S2099 WeakPolarHBondContact O-CB 3.5Å; R2095-S2099 PolarHBondContact O-N 3.45Å
2096M82.4Confident80Confident73 Ų7372.6 Ų72.636%0.3636%0.36SS..Hα-helixtrans-63.7-41.4175.1-74.6-172.6-51.200110.8L2092 R2093 S2094 S2099 Y2100L2092-M2096 HydrophobicContact CD2-CE 3.76Å; L2092-M2096 HydrophobicContact CD2-CG 4.48Å; L2092-M2096 HydrophobicContact CD2-SD 3.85Å; L2092-M2096 WeakPolarHBondContact O-CB 3.36Å; L2092-M2096 VanDerWaalsContact O-CG 3.22Å; L2092-M2096 WeakPolarHBondContact O-CG 3.42Å; L2092-M2096 PolarHBondContact O-N 2.99Å; R2093-M2096 HydrophobicContact CG-CE 4.32Å; R2093-M2096 PolarHBondContact O-N 3.28Å; S2094-M2096 PolarHBondContact O-N 3.41Å; M2096-S2099 PolarHBondContact O-N 2.91Å; M2096-Y2100 WeakPolarHBondContact O-CB 3.39Å; M2096-Y2100 PolarHBondContact O-N 2.91Å
2097S82.5Confident80.6Confident0 Ų065.2 Ų65.20%034%0.335CS..Hα-helixtrans-66.7-44.4176.5-66.40000113.3R2093 S2094 R2095 S2099 Y2100 L2101 S2217 T2221R2093-S2097 PolarHBondContact O-N 3.5Å; R2093-S2097 PolarHBondContact O-OG 3.1Å; S2094-S2097 PolarHBondContact O-N 2.86Å; R2095-S2097 VanDerWaalsContact C-N 3.33Å; S2097-S2099 VanDerWaalsContact C-N 3.34Å; S2097-Y2100 PolarHBondContact O-N 3.37Å; S2097-L2101 WeakPolarHBondContact O-CB 3.34Å; S2097-L2101 PolarHBondContact O-N 2.92Å; S2097-S2217 PolarHBondContact OG-O 3.46Å; S2097-T2221 PolarHBondContact OG-OG1 3.48Å
2098V85.9Confident81.3Confident21 Ų2162.8 Ų62.813%0.12732%0.323CS..Hα-helixtrans-66.4-37.7175172.80000110.9L2079 T2080 S2094 K2102L2079-V2098 HydrophobicContact CB-CG2 4.3Å; T2080-V2098 WeakPolarHBondContact OG1-CG2 3.21Å; S2094-V2098 WeakPolarHBondContact O-CG2 3.16Å; S2094-V2098 PolarHBondContact O-N 3.37Å; V2098-K2102 HydrophobicContact CG1-CD 4.34Å; V2098-K2102 WeakPolarHBondContact O-CB 3.13Å; V2098-K2102 VanDerWaalsContact O-CG 3.29Å; V2098-K2102 WeakPolarHBondContact O-CG 3.38Å; V2098-K2102 PolarHBondContact O-N 3.49Å
2099S84.8Confident81.9Confident82 Ų8257.8 Ų57.857%0.57329%0.292SS*.Hα-helixtrans-67.8-38.7175.2-172.90000112.1R2095 M2096 S2097 G2103R2095-S2099 WeakPolarHBondContact O-CB 3.5Å; R2095-S2099 PolarHBondContact O-N 3.45Å; M2096-S2099 PolarHBondContact O-N 2.91Å; S2097-S2099 VanDerWaalsContact C-N 3.34Å; S2099-G2103 PolarHBondContact O-N 3.44Å
2100Y87.2Confident82.6Confident42 Ų4253.6 Ų53.617%0.16527%0.269CS..Hα-helixtrans-64.1-47.9174.6-175.3-90000110M2096 S2097 K2102 G2103 Y2104 Q2205 P2215 I2218 F2297M2096-Y2100 WeakPolarHBondContact O-CB 3.39Å; M2096-Y2100 PolarHBondContact O-N 2.91Å; S2097-Y2100 PolarHBondContact O-N 3.37Å; Y2100-K2102 VanDerWaalsContact C-N 3.32Å; Y2100-K2102 PolarHBondContact O-N 2.97Å; Y2100-G2103 PolarHBondContact O-N 3.43Å; Y2100-Y2104 HydrophobicContact CD1-CE2 4.4Å; Y2100-Y2104 HydrophobicContact CE1-CD2 4.47Å; Y2100-Y2104 AromaticContact CE1-CE2 3.93Å; Y2100-Y2104 HydrophobicContact CE1-CE2 3.93Å; Y2100-Y2104 HydrophobicContact CE2-CE2 4.36Å; Y2100-Y2104 AromaticContact CZ-CE2 3.9Å; Y2100-Y2104 WeakPolarHBondContact O-CD2 3.28Å; Y2100-Q2205 WeakPolarHBondContact OH-CB 3.36Å; Y2100-Q2205 VanDerWaalsContact OH-CD 3.22Å; Y2100-Q2205 PolarHBondContact OH-OE1 3.42Å; Y2100-P2215 HydrophobicContact CE1-CB 3.67Å; Y2100-I2218 HydrophobicContact CD1-CD1 3.93Å; Y2100-I2218 HydrophobicContact CD1-CG1 4.21Å; Y2100-I2218 HydrophobicContact CE1-CD1 4.1Å; Y2100-F2297 HydrophobicContact CE1-CD1 4.48Å; Y2100-F2297 HydrophobicContact CE1-CG 4.44Å
2101L86.2Confident83.4Confident6 Ų653.5 Ų53.53%0.03127%0.268CS..Hα-helixtrans-61.7-37.8177.7-169.368.2000112.5L2072 L2075 N2076 L2079 S2097 G2103 Y2104 I2109 F2297L2072-L2101 HydrophobicContact CD1-CD1 3.73Å; L2072-L2101 HydrophobicContact CD1-CD2 4.12Å; L2072-L2101 HydrophobicContact CD1-CG 4.02Å; L2075-L2101 HydrophobicContact CD2-CD1 4.03Å; L2075-L2101 HydrophobicContact CG-CD2 4.46Å; N2076-L2101 HydrophobicContact CB-CD2 3.6Å; L2079-L2101 HydrophobicContact CD1-CD2 4.24Å; S2097-L2101 WeakPolarHBondContact O-CB 3.34Å; S2097-L2101 PolarHBondContact O-N 2.92Å; L2101-G2103 PolarHBondContact O-N 3.16Å; L2101-Y2104 PolarHBondContact O-N 2.98Å; L2101-I2109 HydrophobicContact CD1-CD1 4.23Å; L2101-F2297 HydrophobicContact CD1-CE1 4.03Å
2102K85Confident83.8Confident161 Ų16151 Ų5170%0.726%0.256SS*.THydrogen-bonded Turntrans-67.5-15.3175.2-80.1-178.7179-175.40114.4V2098 Y2100 Y2104V2098-K2102 HydrophobicContact CG1-CD 4.34Å; V2098-K2102 WeakPolarHBondContact O-CB 3.13Å; V2098-K2102 VanDerWaalsContact O-CG 3.29Å; V2098-K2102 WeakPolarHBondContact O-CG 3.38Å; V2098-K2102 PolarHBondContact O-N 3.49Å; Y2100-K2102 VanDerWaalsContact C-N 3.32Å; Y2100-K2102 PolarHBondContact O-N 2.97Å; K2102-Y2104 VanDerWaalsContact C-N 3.26Å
2103G80.4Confident84Confident63 Ų6348.1 Ų48.165%0.64924%0.238SC*.THydrogen-bonded Turntrans-74.5-14.8175.200000113.9S2099 Y2100 L2101S2099-G2103 PolarHBondContact O-N 3.44Å; Y2100-G2103 PolarHBondContact O-N 3.43Å; L2101-G2103 PolarHBondContact O-N 3.16Å
2104Y83Confident84.3Confident32 Ų3246 Ų4613%0.12523%0.23CC..SBendtrans-119.1141.2-177.2-64.3-85.2000110.6Y2100 L2101 K2102 D2108 Q2205 F2297 D2299Y2100-Y2104 HydrophobicContact CD1-CE2 4.4Å; Y2100-Y2104 HydrophobicContact CE1-CD2 4.47Å; Y2100-Y2104 AromaticContact CE1-CE2 3.93Å; Y2100-Y2104 HydrophobicContact CE1-CE2 3.93Å; Y2100-Y2104 HydrophobicContact CE2-CE2 4.36Å; Y2100-Y2104 AromaticContact CZ-CE2 3.9Å; Y2100-Y2104 WeakPolarHBondContact O-CD2 3.28Å; L2101-Y2104 PolarHBondContact O-N 2.98Å; K2102-Y2104 VanDerWaalsContact C-N 3.26Å; Y2104-D2108 HydrophobicContact CD1-CB 3.88Å; Y2104-Q2205 PolarHBondContact OH-NE2 3.4Å; Y2104-Q2205 VanDerWaalsContact OH-NE2 3.14Å; Y2104-F2297 HydrophobicContact CD1-CB 4.44Å; Y2104-F2297 HydrophobicContact CD2-CD1 4.06Å; Y2104-F2297 HydrophobicContact CE1-CB 4.2Å; Y2104-F2297 HydrophobicContact CE2-CB 4.43Å; Y2104-F2297 HydrophobicContact CE2-CD1 4.48Å; Y2104-F2297 HydrophobicContact CG-CD1 4.19Å; Y2104-D2299 VanDerWaalsContact CE1-OD1 3.27Å; Y2104-D2299 WeakPolarHBondContact CE1-OD1 3.2Å; Y2104-D2299 PolarHBondContact OH-OD1 2.94Å
2105T82.7Confident84.6Confident53 Ų5350.1 Ų50.133%0.32524%0.244SC..  trans-88169.3171.265.30000110.9E2107 D2108 R2300T2105-E2107 PolarHBondContact O-N 3.2Å; T2105-D2108 WeakPolarHBondContact CB-OD2 3.29Å; T2105-D2108 PolarHBondContact N-OD2 3.48Å; T2105-D2108 PolarHBondContact O-N 3.08Å; T2105-D2108 PolarHBondContact OG1-OD2 2.81Å; T2105-R2300 PolarHBondContact OG1-NH2 3.17Å; T2105-R2300 VanDerWaalsContact OG1-NH2 3.11Å
2106Y84.6Confident84.6Confident112 Ų11241.6 Ų41.644%0.43921%0.212SC..THydrogen-bonded Turntrans-62.1-22.317769.3-90.9000112.7
2107E79.4Confident84.7Confident80 Ų8040 Ų4037%0.37420%0.204SC..THydrogen-bonded Turntrans-79.2-23.4175.7-57.9-179.9173.800112.4I2031 T2105 I2109I2031-E2107 HydrophobicContact CD1-CB 3.62Å; T2105-E2107 PolarHBondContact O-N 3.2Å; E2107-I2109 VanDerWaalsContact C-N 3.31Å
2108D83.1Confident84.9Confident3 Ų340.8 Ų40.82%0.01621%0.209CC..SBendtrans-86.2-3.8179.2-53.1-54.9000111.9I2031 Y2104 T2105 I2298 R2300I2031-D2108 WeakPolarHBondContact CD1-OD1 3.32Å; I2031-D2108 VanDerWaalsContact CG1-OD1 3.28Å; I2031-D2108 WeakPolarHBondContact CG1-OD1 3.49Å; Y2104-D2108 HydrophobicContact CD1-CB 3.88Å; T2105-D2108 WeakPolarHBondContact CB-OD2 3.29Å; T2105-D2108 PolarHBondContact N-OD2 3.48Å; T2105-D2108 PolarHBondContact O-N 3.08Å; T2105-D2108 PolarHBondContact OG1-OD2 2.81Å; D2108-I2298 PolarHBondContact O-N 3.03Å; D2108-R2300 WeakPolarHBondContact OD1-CG 3.33Å; D2108-R2300 IonicContact OD1-CZ 2.81Å; D2108-R2300 IonicContact OD1-NE 2.68Å; D2108-R2300 PolarHBondContact OD1-NE 2.84Å; D2108-R2300 IonicContact OD1-NH2 2.74Å; D2108-R2300 IonicContact OD2-CZ 3.73Å; D2108-R2300 IonicContact OD2-NE 2.77Å; D2108-R2300 PolarHBondContact OD2-NE 3.38Å; D2108-R2300 IonicContact OD2-NH2 2.66Å; D2108-R2300 PolarHBondContact OD2-NH2 3Å
2109I88.5Confident84.9Confident1 Ų145.4 Ų45.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-116115-176.5-57.1169.2000110.1I2067 L2072 L2101 E2107 V2295 F2297I2067-I2109 HydrophobicContact CB-CB 4.23Å; I2067-I2109 HydrophobicContact CB-CG2 3.92Å; I2067-I2109 HydrophobicContact CD1-CG2 4.06Å; I2067-I2109 HydrophobicContact CG2-CB 3.62Å; I2067-I2109 HydrophobicContact CG2-CD1 4.28Å; I2067-I2109 HydrophobicContact CG2-CG2 3.82Å; I2067-I2109 PolarHBondContact N-O 3.07Å; I2067-I2109 VanDerWaalsContact N-O 3.08Å; L2072-I2109 HydrophobicContact CD1-CD1 3.65Å; L2101-I2109 HydrophobicContact CD1-CD1 4.23Å; E2107-I2109 VanDerWaalsContact C-N 3.31Å; I2109-V2295 HydrophobicContact CG2-CG1 3.94Å; I2109-F2297 HydrophobicContact CD1-CD1 4.27Å; I2109-F2297 HydrophobicContact CD1-CE1 3.99Å; I2109-F2297 HydrophobicContact CG1-CD1 3.85Å; I2109-F2297 HydrophobicContact CG1-CE1 4.02Å; I2109-F2297 HydrophobicContact CG2-CE1 4.48Å
2110L85.5Confident84.8Confident10 Ų1045.2 Ų45.25%0.05222%0.221CC..EExtended strand (participates in β ladder)trans-106138-176.3-168.680.3000111.4P2034 L2064 V2112 F2150 V2295 G2296 I2298P2034-L2110 HydrophobicContact CG-CD2 3.65Å; L2064-L2110 HydrophobicContact CB-CD1 4.48Å; L2064-L2110 HydrophobicContact CD2-CD1 4.42Å; L2064-L2110 HydrophobicContact CD2-CD2 3.85Å; L2064-L2110 HydrophobicContact CG-CD2 4.36Å; L2110-V2112 HydrophobicContact CD2-CG2 3.71Å; L2110-V2112 HydrophobicContact CG-CG2 4.26Å; L2110-F2150 HydrophobicContact CD2-CE1 4.41Å; L2110-V2295 CarbonylContact O-C 3.57Å; L2110-V2295 WeakPolarHBondContact O-CA 3.5Å; L2110-G2296 PolarHBondContact N-O 2.91Å; L2110-G2296 PolarHBondContact O-N 3.21Å; L2110-I2298 HydrophobicContact CB-CD1 3.89Å; L2110-I2298 HydrophobicContact CD2-CD1 4.33Å
2111I86.8Confident84.7Confident1 Ų149.6 Ų49.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-104.8114.6169.6-56.1175.2000107.7G2065 I2067 R2113 Q2293G2065-I2111 PolarHBondContact N-O 3.34Å; G2065-I2111 WeakPolarHBondContact O-CA 3.4Å; G2065-I2111 WeakPolarHBondContact O-CB 3.31Å; G2065-I2111 PolarHBondContact O-N 2.95Å; I2067-I2111 HydrophobicContact CB-CD1 4.35Å; I2067-I2111 HydrophobicContact CG1-CD1 4.32Å; I2111-R2113 HydrophobicContact CG2-CG 4.31Å; I2111-Q2293 HydrophobicContact CG2-CG 3.8Å
2112V86.4Confident84.6Confident0 Ų049.8 Ų49.80%024%0.239CC..EExtended strand (participates in β ladder)trans-99.4126.9178-174.10000109V2037 A2054 L2110 F2114 F2150 Q2293 V2294V2037-V2112 HydrophobicContact CB-CG1 3.97Å; V2037-V2112 HydrophobicContact CG1-CG1 4.07Å; V2037-V2112 HydrophobicContact CG2-CG1 4.26Å; V2037-V2112 HydrophobicContact CG2-CG2 4.16Å; A2054-V2112 HydrophobicContact CB-CG1 3.97Å; L2110-V2112 HydrophobicContact CD2-CG2 3.71Å; L2110-V2112 HydrophobicContact CG-CG2 4.26Å; V2112-F2114 HydrophobicContact CB-CE2 4.46Å; V2112-F2114 HydrophobicContact CG1-CD2 4.34Å; V2112-F2114 HydrophobicContact CG1-CE1 3.98Å; V2112-F2114 HydrophobicContact CG1-CE2 3.7Å; V2112-F2114 HydrophobicContact CG1-CZ 3.49Å; V2112-F2114 VanDerWaalsContact CG1-CZ 3.49Å; V2112-F2150 HydrophobicContact CG2-CE1 4.06Å; V2112-F2150 HydrophobicContact CG2-CZ 4.28Å; V2112-Q2293 WeakPolarHBondContact O-CA 3.35Å; V2112-V2294 HydrophobicContact CB-CB 4.5Å; V2112-V2294 PolarHBondContact N-O 3.28Å; V2112-V2294 PolarHBondContact O-N 3.28Å
2113R85.4Confident84.4Confident38 Ų3846.1 Ų46.114%0.14323%0.231CC..EExtended strand (participates in β ladder)trans-119.6113.8179.1-57.7-174.3-1781072.8110.4A2062 E2063 I2111 Y2291 L2292A2062-R2113 WeakPolarHBondContact O-CD 3.45Å; A2062-R2113 PolarHBondContact O-NH1 3.11Å; E2063-R2113 PolarHBondContact O-N 3.04Å; I2111-R2113 HydrophobicContact CG2-CG 4.31Å; R2113-Y2291 HydrophobicContact CB-CD1 3.96Å; R2113-Y2291 HydrophobicContact CB-CG 4.28Å; R2113-L2292 CarbonylContact C-O 3.57Å; R2113-L2292 WeakPolarHBondContact CA-O 3.28Å
2114F86.8Confident84.5Confident1 Ų144.3 Ų44.30%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-93.4136.8174.5-56.7-78.3000110.4V2037 L2039 Y2050 M2052 A2054 V2112 L2148 Y2291 L2292 V2294V2037-F2114 HydrophobicContact CB-CE1 4.46Å; V2037-F2114 HydrophobicContact CB-CZ 4.42Å; V2037-F2114 HydrophobicContact CG1-CE1 4.23Å; V2037-F2114 HydrophobicContact CG1-CZ 3.8Å; L2039-F2114 HydrophobicContact CB-CD1 3.82Å; L2039-F2114 HydrophobicContact CB-CD2 4.39Å; L2039-F2114 HydrophobicContact CB-CE1 3.54Å; L2039-F2114 HydrophobicContact CB-CE2 4.13Å; L2039-F2114 HydrophobicContact CB-CG 4.25Å; L2039-F2114 HydrophobicContact CB-CZ 3.71Å; L2039-F2114 HydrophobicContact CD2-CD1 4.48Å; L2039-F2114 HydrophobicContact CD2-CD2 3.86Å; L2039-F2114 HydrophobicContact CD2-CE2 4.09Å; L2039-F2114 HydrophobicContact CD2-CG 4.07Å; Y2050-F2114 WeakPolarHBondContact OH-CB 3.26Å; M2052-F2114 HydrophobicContact CB-CB 4.45Å; M2052-F2114 HydrophobicContact CB-CD1 4.29Å; M2052-F2114 HydrophobicContact CG-CB 3.87Å; M2052-F2114 HydrophobicContact CG-CD1 3.93Å; M2052-F2114 HydrophobicContact CG-CG 4.41Å; A2054-F2114 HydrophobicContact CB-CD1 4.12Å; A2054-F2114 HydrophobicContact CB-CE1 4.07Å; V2112-F2114 HydrophobicContact CB-CE2 4.46Å; V2112-F2114 HydrophobicContact CG1-CD2 4.34Å; V2112-F2114 HydrophobicContact CG1-CE1 3.98Å; V2112-F2114 HydrophobicContact CG1-CE2 3.7Å; V2112-F2114 HydrophobicContact CG1-CZ 3.49Å; V2112-F2114 VanDerWaalsContact CG1-CZ 3.49Å; F2114-L2148 HydrophobicContact CE2-CD1 4.19Å; F2114-L2148 HydrophobicContact CZ-CD1 3.66Å; F2114-Y2291 WeakPolarHBondContact O-CD1 3.47Å; F2114-L2292 HydrophobicContact CB-CB 4.06Å; F2114-L2292 HydrophobicContact CB-CD2 4.24Å; F2114-L2292 HydrophobicContact CB-CG 4.34Å; F2114-L2292 HydrophobicContact CD2-CD2 4.33Å; F2114-L2292 HydrophobicContact CD2-CG 4.2Å; F2114-L2292 PolarHBondContact N-O 3.47Å; F2114-L2292 PolarHBondContact O-N 2.92Å; F2114-V2294 HydrophobicContact CE2-CB 4.37Å; F2114-V2294 HydrophobicContact CE2-CG2 3.98Å
2115R85.6Confident84.6Confident94 Ų9445.8 Ų45.836%0.35522%0.221SC..  trans-66.6144.2178.7-57.1176.7-175.2175.95.6110.5Y2050 M2052 E2063 E2117 Y2291Y2050-R2115 WeakPolarHBondContact CE2-O 3.25Å; Y2050-R2115 PolarHBondContact OH-O 3.48Å; M2052-R2115 HydrophobicContact CE-CB 3.64Å; M2052-R2115 HydrophobicContact CE-CG 4.3Å; M2052-R2115 HydrophobicContact SD-CB 3.89Å; M2052-R2115 HydrophobicContact SD-CG 4Å; E2063-R2115 IonicContact OE1-CZ 3.52Å; E2063-R2115 IonicContact OE1-NE 2.88Å; E2063-R2115 PolarHBondContact OE1-NE 3.24Å; E2063-R2115 IonicContact OE1-NH2 3.22Å; E2063-R2115 PolarHBondContact OE1-NH2 3.12Å; R2115-E2117 VanDerWaalsContact C-N 3.27Å; R2115-E2117 PolarHBondContact O-N 3.05Å; R2115-Y2291 HydrophobicContact CB-CE1 4.49Å; R2115-Y2291 HydrophobicContact CG-CE1 3.94Å
2116P83.6Confident84.6Confident0 Ų048.4 Ų48.40%023%0.23CC..SBendtrans-67.3-25.1-175.624.5-32.6000113.7I2264 A2265 Y2286 R2289P2116-I2264 HydrophobicContact CB-CG2 4.44Å; P2116-I2264 CarbonylContact O-C 3.35Å; P2116-I2264 WeakPolarHBondContact O-CA 3.33Å; P2116-A2265 PolarHBondContact O-N 2.86Å; P2116-Y2286 HydrophobicContact CG-CD1 4.04Å; P2116-R2289 HydrophobicContact CB-CB 4.05Å; P2116-R2289 HydrophobicContact CG-CB 3.83Å
2117E85.7Confident84.5Confident41 Ų4149.2 Ų49.219%0.19224%0.242CC..BIsolated β-bridgetrans-92.3134.8178.6-64.1170.4-170.600109.7M2052 R2115 M2262 I2264 Y2286 S2287 R2289M2052-E2117 WeakPolarHBondContact CE-O 3.27Å; R2115-E2117 VanDerWaalsContact C-N 3.27Å; R2115-E2117 PolarHBondContact O-N 3.05Å; E2117-M2262 HydrophobicContact CB-CE 3.65Å; E2117-M2262 HydrophobicContact CG-CE 3.59Å; E2117-I2264 HydrophobicContact CG-CG1 4.43Å; E2117-Y2286 HydrophobicContact CG-CE1 4.48Å; E2117-S2287 VanDerWaalsContact OE1-CB 3.28Å; E2117-S2287 WeakPolarHBondContact OE1-CB 3.44Å; E2117-S2287 PolarHBondContact OE1-OG 3.25Å; E2117-R2289 IonicContact OE1-NH1 2.78Å
2118S86.8Confident84.8Confident15 Ų1546.7 Ų46.711%0.10523%0.233CC..  trans-59.8138.7173.7-175.90000111.4E2051 I2120 W2263E2051-S2118 PolarHBondContact N-OG 3.47Å; E2051-S2118 PolarHBondContact O-OG 3.26Å; S2118-I2120 VanDerWaalsContact C-N 3.31Å; S2118-I2120 PolarHBondContact OG-O 3.31Å; S2118-W2263 WeakPolarHBondContact CB-O 3.32Å; S2118-W2263 PolarHBondContact N-O 3.38Å
2119E84.6Confident84.8Confident118 Ų11847.7 Ų47.755%0.55124%0.236SC*.SBendtrans-69.7-33.1178-175176.1-178.100111.6E2051 M2052 E2053E2051-E2119 WeakPolarHBondContact O-CB 3.37Å; E2051-E2119 PolarHBondContact O-N 3.27Å; M2052-E2119 HydrophobicContact CE-CB 3.97Å; E2053-E2119 PolarHBondContact N-OE2 3.34Å
2120I82.6Confident84.8Confident78 Ų7851.4 Ų51.440%0.426%0.256SS..SBendtrans-108.4130.7-178.4-52-178.4000108.7E2051 S2118E2051-I2120 HydrophobicContact CB-CD1 4.46Å; E2051-I2120 HydrophobicContact CG-CD1 4.18Å; E2051-I2120 WeakPolarHBondContact OE2-CD1 3.11Å; S2118-I2120 VanDerWaalsContact C-N 3.31Å; S2118-I2120 PolarHBondContact OG-O 3.31Å
2121Y85.1Confident84.7Confident135 Ų13552.9 Ų52.953%0.52927%0.27SS..  trans-61.3139.9167.7-69.5-70000109.9P2123 E2260 M2262Y2121-P2123 WeakPolarHBondContact O-CD 3.34Å; Y2121-E2260 HydrophobicContact CD1-CB 4.45Å; Y2121-E2260 HydrophobicContact CE1-CB 4.29Å; Y2121-M2262 HydrophobicContact CD1-CB 4.18Å; Y2121-M2262 HydrophobicContact CE1-CB 4.36Å
2122W85.5Confident84.6Confident10 Ų1052.9 Ų52.94%0.03827%0.27CS..  trans-61.8108.1-173.1-175.340.7000111.8P2048 L2049 I2124 R2129 M2132 L2186 K2261 W2263P2048-W2122 VanDerWaalsContact O-CD1 3.28Å; L2049-W2122 HydrophobicContact CD2-CZ2 3.81Å; W2122-I2124 HydrophobicContact CD2-CB 3.88Å; W2122-I2124 HydrophobicContact CD2-CG2 3.52Å; W2122-I2124 HydrophobicContact CE3-CB 4.29Å; W2122-I2124 HydrophobicContact CE3-CG2 3.42Å; W2122-I2124 VanDerWaalsContact CE3-CG2 3.42Å; W2122-I2124 HydrophobicContact CG-CB 4.4Å; W2122-I2124 HydrophobicContact CG-CG2 4.32Å; W2122-I2124 HydrophobicContact CH2-CB 4.23Å; W2122-I2124 HydrophobicContact CH2-CD1 3.56Å; W2122-I2124 HydrophobicContact CH2-CG1 4.41Å; W2122-I2124 HydrophobicContact CH2-CG2 3.64Å; W2122-I2124 HydrophobicContact CZ2-CB 3.86Å; W2122-I2124 HydrophobicContact CZ2-CD1 3.12Å; W2122-I2124 HydrophobicContact CZ2-CG1 4.02Å; W2122-I2124 HydrophobicContact CZ2-CG2 3.78Å; W2122-I2124 HydrophobicContact CZ3-CB 4.45Å; W2122-I2124 HydrophobicContact CZ3-CG2 3.48Å; W2122-I2124 VanDerWaalsContact CZ3-CG2 3.48Å; W2122-I2124 PolarHBondContact O-N 2.88Å; W2122-R2129 HydrophobicContact CH2-CG 4.36Å; W2122-M2132 HydrophobicContact CH2-SD 4.49Å; W2122-M2132 HydrophobicContact CZ2-CE 4.33Å; W2122-M2132 HydrophobicContact CZ2-SD 4.15Å; W2122-L2186 HydrophobicContact CH2-CD2 3.41Å; W2122-L2186 VanDerWaalsContact CH2-CD2 3.41Å; W2122-L2186 HydrophobicContact CZ2-CD2 4.05Å; W2122-L2186 HydrophobicContact CZ3-CD2 4.2Å; W2122-K2261 HydrophobicContact CE3-CB 4.45Å; W2122-K2261 HydrophobicContact CE3-CD 4.34Å; W2122-K2261 PolarHBondContact N-O 3.25Å; W2122-W2263 AromaticContact CD2-NE1 3.42Å; W2122-W2263 AromaticContact CE2-NE1 3.87Å; W2122-W2263 AromaticContact CE3-NE1 3.64Å; W2122-W2263 AromaticContact CG-CD1 3.9Å; W2122-W2263 AromaticContact CG-NE1 3.56Å; W2122-W2263 HydrophobicContact CH2-CZ2 4.5Å; W2122-W2263 HydrophobicContact CZ3-CZ2 4.4Å
2123P81.3Confident84.5Confident83 Ų8354 Ų5454%0.53928%0.276SS..  trans-88.653.9-168.436.2-33.2000110.7P2047 Y2121P2047-P2123 HydrophobicContact CB-CG 4.01Å; Y2121-P2123 WeakPolarHBondContact O-CD 3.34Å
2124I82.5Confident84.5Confident26 Ų2655.3 Ų55.313%0.13329%0.285CS..  trans-92.5131.9180-160164000110.8W2122 S2128 R2129 M2132W2122-I2124 HydrophobicContact CD2-CB 3.88Å; W2122-I2124 HydrophobicContact CD2-CG2 3.52Å; W2122-I2124 HydrophobicContact CE3-CB 4.29Å; W2122-I2124 HydrophobicContact CE3-CG2 3.42Å; W2122-I2124 VanDerWaalsContact CE3-CG2 3.42Å; W2122-I2124 HydrophobicContact CG-CB 4.4Å; W2122-I2124 HydrophobicContact CG-CG2 4.32Å; W2122-I2124 HydrophobicContact CH2-CB 4.23Å; W2122-I2124 HydrophobicContact CH2-CD1 3.56Å; W2122-I2124 HydrophobicContact CH2-CG1 4.41Å; W2122-I2124 HydrophobicContact CH2-CG2 3.64Å; W2122-I2124 HydrophobicContact CZ2-CB 3.86Å; W2122-I2124 HydrophobicContact CZ2-CD1 3.12Å; W2122-I2124 HydrophobicContact CZ2-CG1 4.02Å; W2122-I2124 HydrophobicContact CZ2-CG2 3.78Å; W2122-I2124 HydrophobicContact CZ3-CB 4.45Å; W2122-I2124 HydrophobicContact CZ3-CG2 3.48Å; W2122-I2124 VanDerWaalsContact CZ3-CG2 3.48Å; W2122-I2124 PolarHBondContact O-N 2.88Å; I2124-S2128 WeakPolarHBondContact CG1-OG 3.4Å; I2124-R2129 HydrophobicContact CD1-CB 3.89Å; I2124-R2129 HydrophobicContact CG1-CB 4.11Å; I2124-R2129 HydrophobicContact CG2-CB 4.24Å; I2124-M2132 HydrophobicContact CD1-CE 4.4Å; I2124-M2132 HydrophobicContact CD1-SD 4.5Å
2125S84.2Confident84.1Confident63 Ų6358.8 Ų58.844%0.44130%0.301SS..  trans-71.1150167.474.30000110.1D2127 S2128 R2129S2125-D2127 PolarHBondContact O-N 3.16Å; S2125-S2128 WeakPolarHBondContact CA-OG 3.46Å; S2125-S2128 PolarHBondContact N-OG 3.09Å; S2125-S2128 PolarHBondContact O-N 2.91Å; S2125-S2128 VanDerWaalsContact O-N 3.12Å; S2125-S2128 PolarHBondContact O-OG 3.22Å; S2125-S2128 WeakPolarHBondContact OG-CB 3.45Å; S2125-S2128 PolarHBondContact OG-N 3.42Å; S2125-S2128 PolarHBondContact OG-OG 2.89Å; S2125-R2129 WeakPolarHBondContact O-CB 3.49Å; S2125-R2129 PolarHBondContact O-N 2.98Å
2126Q81.8Confident83.7Confident107 Ų10754.4 Ų54.450%0.528%0.284SS..Hα-helixtrans-58.2-34.1177.3-171.769.2-500111.6R2129 N2130Q2126-R2129 PolarHBondContact O-N 3.47Å; Q2126-N2130 WeakPolarHBondContact O-CB 3.21Å; Q2126-N2130 PolarHBondContact O-N 3.3Å; Q2126-N2130 PolarHBondContact O-ND2 3.47Å
2127D84.3Confident83.5Confident130 Ų13058 Ų5870%0.69531%0.309SS*.Hα-helixtrans-67.5-45.5174.8-65.2-28.2000112.3S2125 R2129 N2130 A2131S2125-D2127 PolarHBondContact O-N 3.16Å; D2127-R2129 VanDerWaalsContact C-N 3.29Å; D2127-R2129 PolarHBondContact O-N 3.47Å; D2127-N2130 PolarHBondContact O-N 2.81Å; D2127-A2131 VanDerWaalsContact O-CB 3.29Å; D2127-A2131 WeakPolarHBondContact O-CB 3.4Å; D2127-A2131 PolarHBondContact O-N 3.05Å
2128S84.7Confident83Confident26 Ų2662.9 Ų62.918%0.18233%0.326CS..Hα-helixtrans-66.1-31.8175.452.70000112.7Y2046 I2124 S2125 A2131 M2132Y2046-S2128 VanDerWaalsContact CE1-O 3.32Å; Y2046-S2128 WeakPolarHBondContact CE1-O 3.35Å; I2124-S2128 WeakPolarHBondContact CG1-OG 3.4Å; S2125-S2128 WeakPolarHBondContact CA-OG 3.46Å; S2125-S2128 PolarHBondContact N-OG 3.09Å; S2125-S2128 PolarHBondContact O-N 2.91Å; S2125-S2128 VanDerWaalsContact O-N 3.12Å; S2125-S2128 PolarHBondContact O-OG 3.22Å; S2125-S2128 WeakPolarHBondContact OG-CB 3.45Å; S2125-S2128 PolarHBondContact OG-N 3.42Å; S2125-S2128 PolarHBondContact OG-OG 2.89Å; S2128-A2131 PolarHBondContact O-N 3.46Å; S2128-M2132 WeakPolarHBondContact O-CB 3.31Å; S2128-M2132 PolarHBondContact O-N 3.17Å
2129R83.5Confident82.3Confident24 Ų2469.1 Ų69.19%0.09136%0.358CS..Hα-helixtrans-67.1-46.1173.5-179.5-174.3178.7-154.61110.5W2122 I2124 S2125 Q2126 D2127 A2131 M2132 I2133 L2186 R2187 K2261W2122-R2129 HydrophobicContact CH2-CG 4.36Å; I2124-R2129 HydrophobicContact CD1-CB 3.89Å; I2124-R2129 HydrophobicContact CG1-CB 4.11Å; I2124-R2129 HydrophobicContact CG2-CB 4.24Å; S2125-R2129 WeakPolarHBondContact O-CB 3.49Å; S2125-R2129 PolarHBondContact O-N 2.98Å; Q2126-R2129 PolarHBondContact O-N 3.47Å; D2127-R2129 VanDerWaalsContact C-N 3.29Å; D2127-R2129 PolarHBondContact O-N 3.47Å; R2129-A2131 VanDerWaalsContact C-N 3.32Å; R2129-A2131 PolarHBondContact O-N 3.43Å; R2129-M2132 WeakPolarHBondContact O-CB 3.24Å; R2129-M2132 PolarHBondContact O-N 2.9Å; R2129-I2133 HydrophobicContact CG-CD1 4.1Å; R2129-I2133 VanDerWaalsContact O-CG1 3.24Å; R2129-I2133 WeakPolarHBondContact O-CG1 3.32Å; R2129-I2133 PolarHBondContact O-N 2.9Å; R2129-L2186 PolarHBondContact NE-O 3.42Å; R2129-L2186 PolarHBondContact NH2-O 2.93Å; R2129-R2187 PolarHBondContact NH2-O 2.96Å; R2129-K2261 VanDerWaalsContact CZ-NZ 3.32Å
2130N87.5Confident81.6Confident79 Ų7966.5 Ų66.542%0.42235%0.35SS..Hα-helixtrans-64.1-38.9175.4-69.3-18.2000111.4Q2126 D2127 I2133 D2134Q2126-N2130 WeakPolarHBondContact O-CB 3.21Å; Q2126-N2130 PolarHBondContact O-N 3.3Å; Q2126-N2130 PolarHBondContact O-ND2 3.47Å; D2127-N2130 PolarHBondContact O-N 2.81Å; N2130-I2133 PolarHBondContact O-N 3.36Å; N2130-D2134 WeakPolarHBondContact O-CB 3.27Å; N2130-D2134 PolarHBondContact O-N 2.98Å
2131A84.2Confident81Confident42 Ų4267.5 Ų67.535%0.34736%0.364SS..Hα-helixtrans-66.1-36.6174.300000112.2Y2046 D2127 S2128 R2129 D2134 K2135Y2046-A2131 VanDerWaalsContact OH-C 3.26Å; Y2046-A2131 PolarHBondContact OH-O 3.14Å; D2127-A2131 VanDerWaalsContact O-CB 3.29Å; D2127-A2131 WeakPolarHBondContact O-CB 3.4Å; D2127-A2131 PolarHBondContact O-N 3.05Å; S2128-A2131 PolarHBondContact O-N 3.46Å; R2129-A2131 VanDerWaalsContact C-N 3.32Å; R2129-A2131 PolarHBondContact O-N 3.43Å; A2131-D2134 PolarHBondContact O-N 3.28Å; A2131-K2135 VanDerWaalsContact O-CB 3.23Å; A2131-K2135 WeakPolarHBondContact O-CB 3.47Å; A2131-K2135 PolarHBondContact O-N 3.45Å
2132M84.8Confident80.5Confident1 Ų161.1 Ų61.11%0.00534%0.339CS..Hα-helixtrans-64.5-47.5173-178.4-174.6-89.600110.8I2043 Y2046 W2122 I2124 S2128 R2129 D2134 K2135 L2136 L2186I2043-M2132 HydrophobicContact CB-CE 3.78Å; I2043-M2132 HydrophobicContact CD1-CE 3.59Å; I2043-M2132 HydrophobicContact CD1-SD 3.77Å; I2043-M2132 HydrophobicContact CG1-CE 4.19Å; I2043-M2132 HydrophobicContact CG2-CE 4.14Å; Y2046-M2132 HydrophobicContact CD1-CB 4.12Å; Y2046-M2132 HydrophobicContact CD1-CE 3.88Å; Y2046-M2132 HydrophobicContact CD2-CB 4.49Å; Y2046-M2132 HydrophobicContact CD2-CE 3.49Å; Y2046-M2132 VanDerWaalsContact CD2-CE 3.49Å; Y2046-M2132 HydrophobicContact CD2-CG 4.3Å; Y2046-M2132 HydrophobicContact CE1-CB 3.69Å; Y2046-M2132 HydrophobicContact CE1-CG 4.49Å; Y2046-M2132 HydrophobicContact CE2-CB 4.06Å; Y2046-M2132 HydrophobicContact CE2-CE 4.22Å; Y2046-M2132 HydrophobicContact CE2-CG 4.09Å; Y2046-M2132 HydrophobicContact CG-CE 3.28Å; Y2046-M2132 VanDerWaalsContact CZ-CA 3.49Å; Y2046-M2132 VanDerWaalsContact OH-CA 3.27Å; Y2046-M2132 WeakPolarHBondContact OH-CA 3.38Å; Y2046-M2132 PolarHBondContact OH-N 3.47Å; W2122-M2132 HydrophobicContact CH2-SD 4.49Å; W2122-M2132 HydrophobicContact CZ2-CE 4.33Å; W2122-M2132 HydrophobicContact CZ2-SD 4.15Å; I2124-M2132 HydrophobicContact CD1-CE 4.4Å; I2124-M2132 HydrophobicContact CD1-SD 4.5Å; S2128-M2132 WeakPolarHBondContact O-CB 3.31Å; S2128-M2132 PolarHBondContact O-N 3.17Å; R2129-M2132 WeakPolarHBondContact O-CB 3.24Å; R2129-M2132 PolarHBondContact O-N 2.9Å; M2132-D2134 VanDerWaalsContact C-N 3.31Å; M2132-D2134 PolarHBondContact O-N 2.92Å; M2132-K2135 PolarHBondContact O-N 3.45Å; M2132-L2136 HydrophobicContact CG-CD1 3.9Å; M2132-L2136 WeakPolarHBondContact O-CB 3.43Å; M2132-L2136 WeakPolarHBondContact O-CD1 3.3Å; M2132-L2136 VanDerWaalsContact O-CG 3.27Å; M2132-L2136 WeakPolarHBondContact O-CG 3.44Å; M2132-L2136 PolarHBondContact O-N 3.28Å; M2132-L2186 HydrophobicContact CG-CD1 3.98Å; M2132-L2186 HydrophobicContact SD-CD1 3.67Å; M2132-L2186 HydrophobicContact SD-CD2 3.59Å; M2132-L2186 VanDerWaalsContact SD-CD2 3.59Å; M2132-L2186 HydrophobicContact SD-CG 4.32Å
2133I84.1Confident80.4Confident24 Ų2462.3 Ų62.312%0.12335%0.346CS..Hα-helixtrans-59.9-42.9175.9-67.5165.3000110.4R2129 N2130 L2136 S2137 L2186 R2187R2129-I2133 HydrophobicContact CG-CD1 4.1Å; R2129-I2133 VanDerWaalsContact O-CG1 3.24Å; R2129-I2133 WeakPolarHBondContact O-CG1 3.32Å; R2129-I2133 PolarHBondContact O-N 2.9Å; N2130-I2133 PolarHBondContact O-N 3.36Å; I2133-L2136 PolarHBondContact O-N 2.93Å; I2133-S2137 PolarHBondContact O-N 3.11Å; I2133-L2186 HydrophobicContact CD1-CB 4.3Å; I2133-L2186 HydrophobicContact CG1-CB 4.02Å; I2133-L2186 HydrophobicContact CG1-CD1 4.19Å; I2133-R2187 HydrophobicContact CD1-CG 4.43Å
2134D84.4Confident80.6Confident64 Ų6458.5 Ų58.534%0.34232%0.321SS..Hα-helixtrans-65.2-45.2176.1-176.727.6000111.5N2130 A2131 M2132 L2136 S2137 R2138N2130-D2134 WeakPolarHBondContact O-CB 3.27Å; N2130-D2134 PolarHBondContact O-N 2.98Å; A2131-D2134 PolarHBondContact O-N 3.28Å; M2132-D2134 VanDerWaalsContact C-N 3.31Å; M2132-D2134 PolarHBondContact O-N 2.92Å; D2134-L2136 VanDerWaalsContact C-N 3.29Å; D2134-L2136 PolarHBondContact O-N 2.84Å; D2134-S2137 WeakPolarHBondContact O-CA 3.26Å; D2134-S2137 WeakPolarHBondContact O-CB 3.4Å; D2134-S2137 PolarHBondContact O-N 3.44Å; D2134-S2137 PolarHBondContact O-OG 3.14Å; D2134-S2137 PolarHBondContact OD1-OG 2.9Å; D2134-R2138 WeakPolarHBondContact O-CG 3.35Å; D2134-R2138 PolarHBondContact O-N 3.1Å; D2134-R2138 IonicContact OD1-CZ 3.31Å; D2134-R2138 IonicContact OD1-NE 2.9Å; D2134-R2138 PolarHBondContact OD1-NE 3.48Å; D2134-R2138 IonicContact OD1-NH2 2.72Å; D2134-R2138 IonicContact OD2-CZ 3.96Å; D2134-R2138 VanDerWaalsContact OD2-CZ 3.28Å; D2134-R2138 IonicContact OD2-NE 2.82Å; D2134-R2138 PolarHBondContact OD2-NE 3.46Å; D2134-R2138 IonicContact OD2-NH2 2.65Å; D2134-R2138 PolarHBondContact OD2-NH2 2.69Å
2135K80.2Confident80.9Confident74 Ų7459.9 Ų59.932%0.32233%0.327SS..Hα-helixtrans-64.6-32.2177.6-162.4178.6-177.6-173.40112.5Y2046 A2131 M2132 T2140 V2142Y2046-K2135 HydrophobicContact CE2-CD 4.02Å; A2131-K2135 VanDerWaalsContact O-CB 3.23Å; A2131-K2135 WeakPolarHBondContact O-CB 3.47Å; A2131-K2135 PolarHBondContact O-N 3.45Å; M2132-K2135 PolarHBondContact O-N 3.45Å; K2135-T2140 PolarHBondContact O-OG1 3.23Å; K2135-V2142 HydrophobicContact CD-CG2 4.29Å; K2135-V2142 HydrophobicContact CG-CG2 4Å
2136L76.4Confident81.1Confident3 Ų356.9 Ų56.92%0.01631%0.306CS..Hα-helixtrans-75.6-25.6172.8-73.6163.5000112.8M2132 I2133 D2134 R2179 I2182 Q2183 L2186M2132-L2136 HydrophobicContact CG-CD1 3.9Å; M2132-L2136 WeakPolarHBondContact O-CB 3.43Å; M2132-L2136 WeakPolarHBondContact O-CD1 3.3Å; M2132-L2136 VanDerWaalsContact O-CG 3.27Å; M2132-L2136 WeakPolarHBondContact O-CG 3.44Å; M2132-L2136 PolarHBondContact O-N 3.28Å; I2133-L2136 PolarHBondContact O-N 2.93Å; D2134-L2136 VanDerWaalsContact C-N 3.29Å; D2134-L2136 PolarHBondContact O-N 2.84Å; L2136-R2179 PolarHBondContact O-NH1 2.9Å; L2136-I2182 HydrophobicContact CD1-CG2 3.62Å; L2136-I2182 HydrophobicContact CD2-CG2 4.38Å; L2136-Q2183 HydrophobicContact CB-CG 4.3Å; L2136-Q2183 PolarHBondContact O-NE2 3.45Å; L2136-L2186 HydrophobicContact CD1-CD1 3.3Å
2137S79.7Confident81.5Confident74 Ų7453 Ų5352%0.51729%0.291SS..Hα-helixtrans-76.8-28.3173.783.50000112.4I2133 D2134I2133-S2137 PolarHBondContact O-N 3.11Å; D2134-S2137 WeakPolarHBondContact O-CA 3.26Å; D2134-S2137 WeakPolarHBondContact O-CB 3.4Å; D2134-S2137 PolarHBondContact O-N 3.44Å; D2134-S2137 PolarHBondContact O-OG 3.14Å; D2134-S2137 PolarHBondContact OD1-OG 2.9Å
2138R74.6Confident81.8Confident145 Ų14547 Ų4755%0.54726%0.259SS..THydrogen-bonded Turntrans-79152177.7-68.1174.4-170-148.67.2111.3D2134 T2140 R2179D2134-R2138 WeakPolarHBondContact O-CG 3.35Å; D2134-R2138 PolarHBondContact O-N 3.1Å; D2134-R2138 IonicContact OD1-CZ 3.31Å; D2134-R2138 IonicContact OD1-NE 2.9Å; D2134-R2138 PolarHBondContact OD1-NE 3.48Å; D2134-R2138 IonicContact OD1-NH2 2.72Å; D2134-R2138 IonicContact OD2-CZ 3.96Å; D2134-R2138 VanDerWaalsContact OD2-CZ 3.28Å; D2134-R2138 IonicContact OD2-NE 2.82Å; D2134-R2138 PolarHBondContact OD2-NE 3.46Å; D2134-R2138 IonicContact OD2-NH2 2.65Å; D2134-R2138 PolarHBondContact OD2-NH2 2.69Å; R2138-T2140 PolarHBondContact O-N 3.43Å; R2138-R2179 PolarHBondContact O-NH1 3.1Å
2139N72.4Confident82.1Confident146 Ų14647.2 Ų47.278%0.78126%0.257SS*.THydrogen-bonded Turntrans-73.727.8-179.4-141.518.2000113.6L2174N2139-L2174 WeakPolarHBondContact OD1-CD2 3.42Å
2140T70Confident82.3Confident62 Ų6246.1 Ų46.138%0.3825%0.253SS..  trans-88.2140.9178.742.10000110.7K2135 R2138 V2142 R2179K2135-T2140 PolarHBondContact O-OG1 3.23Å; R2138-T2140 PolarHBondContact O-N 3.43Å; T2140-V2142 PolarHBondContact O-N 3.17Å; T2140-R2179 PolarHBondContact O-NH2 3.38Å
2141S70.6Confident82.1Confident99 Ų9942.5 Ų42.569%0.69223%0.234SC*.  trans-68.6120.6170.653.90000109
2142V74.6Confident81.7Confident2 Ų241.2 Ų41.21%0.01222%0.22CC..  trans-115.4124.7174.1178.30000106.4I2043 K2135 T2140 I2172I2043-V2142 HydrophobicContact CG2-CG1 3.31Å; K2135-V2142 HydrophobicContact CD-CG2 4.29Å; K2135-V2142 HydrophobicContact CG-CG2 4Å; T2140-V2142 PolarHBondContact O-N 3.17Å; V2142-I2172 HydrophobicContact CB-CD1 4.4Å; V2142-I2172 HydrophobicContact CG1-CD1 4.16Å; V2142-I2172 WeakPolarHBondContact O-CB 3.13Å; V2142-I2172 WeakPolarHBondContact O-CG1 3.24Å; V2142-I2172 PolarHBondContact O-N 3.39Å; V2142-I2172 VanDerWaalsContact O-N 3.16Å
2143N83.4Confident80.9Confident34 Ų3444.3 Ų44.318%0.18224%0.24CC..EExtended strand (participates in β ladder)trans-91.5143.9177.3-58.1-45.1000110.6E2044 L2169E2044-N2143 HydrophobicContact CB-CB 4.18Å; E2044-N2143 WeakPolarHBondContact CB-O 3.19Å; E2044-N2143 PolarHBondContact N-O 2.88Å; E2044-N2143 WeakPolarHBondContact OE2-CB 3.33Å; E2044-N2143 VanDerWaalsContact OE2-CG 3.28Å; E2044-N2143 PolarHBondContact OE2-N 3.44Å; E2044-N2143 PolarHBondContact OE2-ND2 2.73Å; N2143-L2169 HydrophobicContact CB-CD2 4.38Å
2144F85Confident79.7Confident3 Ų350.7 Ų50.71%0.01326%0.264CS..EExtended strand (participates in β ladder)trans-94.8123167.4-171.8-98.3000107.9I2041 I2043 L2049 V2146 V2170 I2172 I2196 L2250I2041-F2144 HydrophobicContact CG2-CE1 3.6Å; I2041-F2144 HydrophobicContact CG2-CE2 3.76Å; I2041-F2144 HydrophobicContact CG2-CZ 3.04Å; I2043-F2144 HydrophobicContact CG1-CD2 4.15Å; L2049-F2144 HydrophobicContact CD1-CE2 3.95Å; F2144-V2146 HydrophobicContact CD1-CG2 4Å; F2144-V2146 HydrophobicContact CE1-CG2 3.75Å; F2144-V2170 HydrophobicContact CB-CB 4.28Å; F2144-V2170 WeakPolarHBondContact CB-O 3.25Å; F2144-V2170 PolarHBondContact N-O 2.95Å; F2144-V2170 PolarHBondContact O-N 2.94Å; F2144-I2172 HydrophobicContact CB-CD1 4.34Å; F2144-I2172 HydrophobicContact CB-CG1 4.09Å; F2144-I2196 HydrophobicContact CD1-CD1 3.73Å; F2144-I2196 HydrophobicContact CD1-CG2 4.05Å; F2144-I2196 HydrophobicContact CD2-CD1 3.37Å; F2144-I2196 HydrophobicContact CE1-CD1 3.49Å; F2144-I2196 VanDerWaalsContact CE1-CD1 3.49Å; F2144-I2196 HydrophobicContact CE1-CG2 4.26Å; F2144-I2196 HydrophobicContact CE2-CD1 3.12Å; F2144-I2196 HydrophobicContact CG-CD1 3.63Å; F2144-I2196 HydrophobicContact CZ-CD1 3.15Å; F2144-I2196 HydrophobicContact CZ-CG1 4.49Å; F2144-L2250 HydrophobicContact CE2-CD1 3.87Å; F2144-L2250 HydrophobicContact CZ-CD1 3.8Å
2145E88.5Confident78.4Confident56 Ų5650.8 Ų50.826%0.26226%0.264SS..EExtended strand (participates in β ladder)trans-108.4123-173175.5-178.1-154.100109.6I2041 S2042 L2169I2041-E2145 WeakPolarHBondContact CA-O 3.25Å; S2042-E2145 PolarHBondContact N-O 2.96Å; S2042-E2145 PolarHBondContact O-N 3.32Å; S2042-E2145 WeakPolarHBondContact OG-CB 3.33Å; S2042-E2145 PolarHBondContact OG-OE2 3.02Å; E2145-L2169 HydrophobicContact CB-CD2 4.11Å; E2145-L2169 HydrophobicContact CG-CD2 4.23Å
2146V88.9Confident77.2Confident0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-112.1113.1171-178.50000107.3L2039 R2040 F2144 S2167 W2168 I2200L2039-V2146 HydrophobicContact CD1-CG1 3.88Å; R2040-V2146 WeakPolarHBondContact O-CA 3.14Å; F2144-V2146 HydrophobicContact CD1-CG2 4Å; F2144-V2146 HydrophobicContact CE1-CG2 3.75Å; V2146-S2167 CarbonylContact O-C 3.58Å; V2146-S2167 WeakPolarHBondContact O-CA 3.44Å; V2146-W2168 HydrophobicContact CB-CE3 4.39Å; V2146-W2168 HydrophobicContact CG1-CE3 4.19Å; V2146-W2168 PolarHBondContact N-O 3Å; V2146-W2168 PolarHBondContact O-N 3.13Å; V2146-I2200 HydrophobicContact CG1-CG1 4.42Å
2147S89.3Confident76Confident26 Ų2655.9 Ų55.918%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-112.2128.2178.574.90000110.7R2040R2040-S2147 VanDerWaalsContact CB-OG 3.3Å; R2040-S2147 WeakPolarHBondContact CB-OG 3.43Å; R2040-S2147 PolarHBondContact N-O 2.83Å; R2040-S2147 PolarHBondContact O-N 3.31Å
2148L90.9Very high74.7Confident2 Ų254.8 Ų54.81%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-118.2128.4174.5-173.674.5000109.5V2037 T2038 L2039 F2114 F2150 S2165 K2166 W2168 I2204 L2212 V2294V2037-L2148 HydrophobicContact CG1-CD1 3.86Å; V2037-L2148 HydrophobicContact CG1-CG 4.49Å; T2038-L2148 WeakPolarHBondContact O-CA 3.49Å; L2039-L2148 HydrophobicContact CB-CD1 4.26Å; L2039-L2148 HydrophobicContact CD1-CD1 4.14Å; F2114-L2148 HydrophobicContact CE2-CD1 4.19Å; F2114-L2148 HydrophobicContact CZ-CD1 3.66Å; L2148-F2150 HydrophobicContact CD2-CD2 4.3Å; L2148-F2150 HydrophobicContact CD2-CE2 3.56Å; L2148-F2150 HydrophobicContact CD2-CZ 4.39Å; L2148-F2150 HydrophobicContact CG-CD2 4.34Å; L2148-F2150 HydrophobicContact CG-CE2 4.01Å; L2148-S2165 WeakPolarHBondContact O-CA 3.31Å; L2148-K2166 PolarHBondContact N-O 3.28Å; L2148-K2166 PolarHBondContact O-N 3.3Å; L2148-W2168 HydrophobicContact CB-CH2 3.94Å; L2148-W2168 HydrophobicContact CB-CZ3 3.61Å; L2148-W2168 HydrophobicContact CD2-CH2 4.13Å; L2148-W2168 HydrophobicContact CD2-CZ3 4.42Å; L2148-I2204 HydrophobicContact CD2-CD1 3.07Å; L2148-L2212 HydrophobicContact CB-CD1 4.36Å; L2148-L2212 HydrophobicContact CD2-CD1 4.2Å; L2148-L2212 HydrophobicContact CG-CD1 4.31Å; L2148-L2212 WeakPolarHBondContact O-CD1 3.39Å; L2148-V2294 HydrophobicContact CD2-CG1 4.42Å
2149E90.2Very high73.7Confident32 Ų3255.2 Ų55.215%0.1530%0.299CS..EExtended strand (participates in β ladder)trans-128.5116.2-179.7164-177.2178.100109.9V2037 T2038 T2151 K2163V2037-E2149 WeakPolarHBondContact CA-O 3.38Å; T2038-E2149 PolarHBondContact N-O 2.96Å; T2038-E2149 PolarHBondContact O-N 3.33Å; T2038-E2149 VanDerWaalsContact OG1-CB 3.31Å; T2038-E2149 WeakPolarHBondContact OG1-CB 3.16Å; T2038-E2149 PolarHBondContact OG1-O 2.86Å; E2149-T2151 HydrophobicContact CG-CG2 4.08Å; E2149-K2163 VanDerWaalsContact OE1-CD 3.23Å; E2149-K2163 WeakPolarHBondContact OE1-CD 3.14Å; E2149-K2163 WeakPolarHBondContact OE1-CE 3.43Å; E2149-K2163 WeakPolarHBondContact OE1-CG 3.26Å; E2149-K2163 IonicContact OE1-NZ 2.78Å; E2149-K2163 PolarHBondContact OE1-NZ 2.92Å
2150F88.6Confident72.9Confident0 Ų050.4 Ų50.40%028%0.279CS..EExtended strand (participates in β ladder)trans-91.7124.1168.9-75.8-100.1000109P2034 V2037 L2110 V2112 L2148 H2164 I2204 V2206 L2212P2034-F2150 HydrophobicContact CB-CD1 4.1Å; P2034-F2150 HydrophobicContact CG-CD1 4.03Å; V2037-F2150 HydrophobicContact CB-CD1 4.48Å; V2037-F2150 HydrophobicContact CG1-CD1 4.1Å; V2037-F2150 HydrophobicContact CG1-CD2 4.25Å; V2037-F2150 HydrophobicContact CG1-CE1 4.02Å; V2037-F2150 HydrophobicContact CG1-CE2 4.21Å; V2037-F2150 HydrophobicContact CG1-CG 4.22Å; V2037-F2150 HydrophobicContact CG1-CZ 4.08Å; V2037-F2150 HydrophobicContact CG2-CD1 3.57Å; V2037-F2150 HydrophobicContact CG2-CE1 3.7Å; V2037-F2150 HydrophobicContact CG2-CG 4.32Å; L2110-F2150 HydrophobicContact CD2-CE1 4.41Å; V2112-F2150 HydrophobicContact CG2-CE1 4.06Å; V2112-F2150 HydrophobicContact CG2-CZ 4.28Å; L2148-F2150 HydrophobicContact CD2-CD2 4.3Å; L2148-F2150 HydrophobicContact CD2-CE2 3.56Å; L2148-F2150 HydrophobicContact CD2-CZ 4.39Å; L2148-F2150 HydrophobicContact CG-CD2 4.34Å; L2148-F2150 HydrophobicContact CG-CE2 4.01Å; F2150-H2164 HydrophobicContact CB-CB 4.39Å; F2150-H2164 PolarHBondContact N-O 3.45Å; F2150-H2164 PolarHBondContact O-N 3.39Å; F2150-I2204 HydrophobicContact CE2-CG2 4.41Å; F2150-V2206 HydrophobicContact CB-CG1 4.45Å; F2150-V2206 HydrophobicContact CD1-CG2 4.07Å; F2150-V2206 HydrophobicContact CD2-CG2 4.23Å; F2150-V2206 HydrophobicContact CE1-CG2 4.1Å; F2150-V2206 HydrophobicContact CE2-CG2 4.23Å; F2150-V2206 HydrophobicContact CG-CG2 4.14Å; F2150-V2206 HydrophobicContact CZ-CG2 4.17Å; F2150-L2212 HydrophobicContact CB-CD2 4.49Å; F2150-L2212 HydrophobicContact CD2-CD1 3.74Å; F2150-L2212 HydrophobicContact CD2-CD2 3.5Å; F2150-L2212 HydrophobicContact CD2-CG 4.26Å; F2150-L2212 HydrophobicContact CE2-CD1 4.11Å; F2150-L2212 HydrophobicContact CE2-CD2 4Å; F2150-L2212 HydrophobicContact CG-CD2 4.26Å
2151T83.2Confident72.2Confident4 Ų449.3 Ų49.33%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-104.1125.9173.666.50000109.3P2034 E2035 K2036 E2149 L2162 K2163P2034-T2151 CarbonylContact C-O 3.52Å; P2034-T2151 WeakPolarHBondContact CA-O 3.31Å; P2034-T2151 VanDerWaalsContact CB-O 3.23Å; P2034-T2151 WeakPolarHBondContact CB-O 3.36Å; E2035-T2151 PolarHBondContact N-O 3.43Å; K2036-T2151 HydrophobicContact CG-CG2 4.03Å; K2036-T2151 WeakPolarHBondContact CG-OG1 3.32Å; K2036-T2151 PolarHBondContact N-OG1 2.58Å; K2036-T2151 PolarHBondContact O-N 2.73Å; K2036-T2151 PolarHBondContact O-OG1 3.18Å; E2149-T2151 HydrophobicContact CG-CG2 4.08Å; T2151-L2162 WeakPolarHBondContact CA-O 3.5Å; T2151-K2163 HydrophobicContact CG2-CG 4.26Å
2152R75.6Confident71.9Confident14 Ų1448.3 Ų48.35%0.05326%0.264CS..  trans-96.3146.5174.4-69.1-173.5-172.8-153.27109.2S2032 Y2154 L2162 H2164 V2206 P2207 D2299S2032-R2152 PolarHBondContact OG-NH1 3.22Å; R2152-Y2154 PolarHBondContact O-N 3.07Å; R2152-L2162 PolarHBondContact N-O 3.09Å; R2152-L2162 VanDerWaalsContact N-O 3.09Å; R2152-H2164 PolarHBondContact NE-NE2 3.26Å; R2152-V2206 VanDerWaalsContact NH2-CG1 3.32Å; R2152-V2206 PolarHBondContact NH2-O 2.88Å; R2152-P2207 PolarHBondContact NH2-O 3.41Å; R2152-D2299 PolarHBondContact NH1-O 2.94Å
2153P69.4Low71.9Confident66 Ų6653.9 Ų53.943%0.42929%0.287SS..  trans-55.1131.3176.721.5-32.5000109.2M2033 D2155M2033-P2153 WeakPolarHBondContact O-CD 3.46Å; M2033-P2153 WeakPolarHBondContact O-CG 3.5Å; P2153-D2155 PolarHBondContact O-N 3.14Å
2154Y58.7Low71.9Confident158 Ų15852.3 Ų52.362%0.6228%0.279SS*.  trans-70.2103.2-178.8177.4-114.9000110R2152 P2156 L2162R2152-Y2154 PolarHBondContact O-N 3.07Å; Y2154-P2156 HydrophobicContact CE1-CB 3.81Å; Y2154-P2156 WeakPolarHBondContact O-CD 3.25Å; Y2154-L2162 HydrophobicContact CD2-CD1 3.2Å; Y2154-L2162 HydrophobicContact CD2-CG 4.03Å; Y2154-L2162 HydrophobicContact CE2-CD1 3.87Å; Y2154-L2162 HydrophobicContact CG-CD1 3.86Å
2155D56.4Low71.9Confident66 Ų6655.2 Ų55.235%0.35330%0.3SS..  trans-88110.2161.7-165.6-24.8000108.6P2153 N2157 E2158P2153-D2155 PolarHBondContact O-N 3.14Å; D2155-N2157 PolarHBondContact O-N 3.37Å; D2155-N2157 VanDerWaalsContact OD1-CB 3.31Å; D2155-N2157 WeakPolarHBondContact OD1-CB 3.39Å; D2155-N2157 PolarHBondContact OD1-N 3.13Å; D2155-N2157 PolarHBondContact OD1-ND2 3.29Å; D2155-E2158 HydrophobicContact CB-CB 4.26Å; D2155-E2158 HydrophobicContact CB-CG 4Å; D2155-E2158 PolarHBondContact O-N 2.93Å; D2155-E2158 VanDerWaalsContact O-N 3.15Å
2156P54.8Low72Confident80 Ų8055.3 Ų55.352%0.51930%0.299SS..THydrogen-bonded Turntrans-57.8-12.5178.822.8-32.6000113.4Y2154Y2154-P2156 HydrophobicContact CE1-CB 3.81Å; Y2154-P2156 WeakPolarHBondContact O-CD 3.25Å
2157N51Low71.8Confident104 Ų10458.4 Ų58.456%0.55632%0.321SS*.THydrogen-bonded Turntrans-95.1-11.4-177.4-55-55.1000114.9D2155 S2304D2155-N2157 PolarHBondContact O-N 3.37Å; D2155-N2157 VanDerWaalsContact OD1-CB 3.31Å; D2155-N2157 WeakPolarHBondContact OD1-CB 3.39Å; D2155-N2157 PolarHBondContact OD1-N 3.13Å; D2155-N2157 PolarHBondContact OD1-ND2 3.29Å; N2157-S2304 VanDerWaalsContact O-CB 3.28Å; N2157-S2304 WeakPolarHBondContact O-CB 3.48Å; N2157-S2304 PolarHBondContact O-OG 3.39Å
2158E53Low71.7Confident51 Ų5158 Ų5824%0.23832%0.315CS..THydrogen-bonded Turntrans-105-13.9-167.4-67.8-164152.900115.7D2155 A2160D2155-E2158 HydrophobicContact CB-CB 4.26Å; D2155-E2158 HydrophobicContact CB-CG 4Å; D2155-E2158 PolarHBondContact O-N 2.93Å; D2155-E2158 VanDerWaalsContact O-N 3.15Å; E2158-A2160 HydrophobicContact CB-CB 4.44Å; E2158-A2160 PolarHBondContact O-N 2.69Å
2159N53.9Low71.5Confident155 Ų15561.6 Ų61.683%0.82933%0.334SS*.  trans44.231.1-175.2-69-25000113.1
2160A53.9Low71Confident44 Ų4461 Ų6136%0.36433%0.333SS..  trans-78.3153177.300000109.6E2158 L2162E2158-A2160 HydrophobicContact CB-CB 4.44Å; E2158-A2160 PolarHBondContact O-N 2.69Å; A2160-L2162 PolarHBondContact O-N 3Å
2161A56.2Low70.4Confident40 Ų4064.7 Ų64.733%0.33136%0.357SS..  trans-64108.9174.700000108.7K2163 H2164A2161-K2163 PolarHBondContact O-N 3.35Å; A2161-K2163 VanDerWaalsContact O-N 3.11Å; A2161-H2164 PolarHBondContact O-NE2 3.46Å
2162L65.1Low69.9Low78 Ų7865.4 Ų65.441%0.40836%0.36SS..SBendtrans-58.3-25.6-177.8-141150.7000112.3T2151 R2152 Y2154 A2160T2151-L2162 WeakPolarHBondContact CA-O 3.5Å; R2152-L2162 PolarHBondContact N-O 3.09Å; R2152-L2162 VanDerWaalsContact N-O 3.09Å; Y2154-L2162 HydrophobicContact CD2-CD1 3.2Å; Y2154-L2162 HydrophobicContact CD2-CG 4.03Å; Y2154-L2162 HydrophobicContact CE2-CD1 3.87Å; Y2154-L2162 HydrophobicContact CG-CD1 3.86Å; A2160-L2162 PolarHBondContact O-N 3Å
2163K73.4Confident69.6Low118 Ų11867.3 Ų67.351%0.51338%0.376SS..EExtended strand (participates in β ladder)trans-133.9118.5-174.4-64.8170.5168.6-1130108.5E2149 T2151 A2161E2149-K2163 VanDerWaalsContact OE1-CD 3.23Å; E2149-K2163 WeakPolarHBondContact OE1-CD 3.14Å; E2149-K2163 WeakPolarHBondContact OE1-CE 3.43Å; E2149-K2163 WeakPolarHBondContact OE1-CG 3.26Å; E2149-K2163 IonicContact OE1-NZ 2.78Å; E2149-K2163 PolarHBondContact OE1-NZ 2.92Å; T2151-K2163 HydrophobicContact CG2-CG 4.26Å; A2161-K2163 PolarHBondContact O-N 3.35Å; A2161-K2163 VanDerWaalsContact O-N 3.11Å
2164H83.5Confident69.3Low1 Ų169.9 Ų69.91%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-104.3101169.7-59.8-84.5000107.5F2150 R2152 A2161 V2206 P2207 G2210 L2212F2150-H2164 HydrophobicContact CB-CB 4.39Å; F2150-H2164 PolarHBondContact N-O 3.45Å; F2150-H2164 PolarHBondContact O-N 3.39Å; R2152-H2164 PolarHBondContact NE-NE2 3.26Å; A2161-H2164 PolarHBondContact O-NE2 3.46Å; H2164-V2206 HydrophobicContact CB-CG1 4.29Å; H2164-P2207 PolarHBondContact CE1-O 2.97Å; H2164-G2210 PolarHBondContact ND1-O 3.48Å; H2164-L2212 HydrophobicContact CB-CD2 3.84Å; H2164-L2212 HydrophobicContact CB-CG 4.22Å
2165S86.5Confident69.6Low64 Ų6466.6 Ų66.645%0.44838%0.379SS..EExtended strand (participates in β ladder)trans-113.9148.4-176.458.40000111.7L2148L2148-S2165 WeakPolarHBondContact O-CA 3.31Å
2166K88.7Confident70.1Confident58 Ų5871.2 Ų71.225%0.25240%0.4SS..EExtended strand (participates in β ladder)trans-147.5135167.5-173.2155.6-174.2166.70110.3L2148 W2168 L2212L2148-K2166 PolarHBondContact N-O 3.28Å; L2148-K2166 PolarHBondContact O-N 3.3Å; K2166-W2168 HydrophobicContact CB-CH2 4.37Å; K2166-W2168 HydrophobicContact CB-CZ2 4.24Å; K2166-W2168 HydrophobicContact CD-CZ2 4.05Å; K2166-W2168 HydrophobicContact CG-CZ2 3.99Å; K2166-L2212 HydrophobicContact CB-CB 3.92Å; K2166-L2212 HydrophobicContact CB-CD1 4.1Å; K2166-L2212 HydrophobicContact CB-CG 4.39Å; K2166-L2212 HydrophobicContact CD-CB 4.27Å; K2166-L2212 WeakPolarHBondContact CD-O 3.33Å; K2166-L2212 PolarHBondContact NZ-O 3.46Å
2167S86.6Confident70.9Confident65 Ų6571.3 Ų71.346%0.45540%0.399SS..EExtended strand (participates in β ladder)trans-109134172.753.60000110.8V2146V2146-S2167 CarbonylContact O-C 3.58Å; V2146-S2167 WeakPolarHBondContact O-CA 3.44Å
2168W86.8Confident71.7Confident18 Ų1868.5 Ų68.57%0.06838%0.384CS..EExtended strand (participates in β ladder)trans-107.2120.5173.1-60.9-84.1000109V2146 L2148 K2166 P2201 I2204 F2245V2146-W2168 HydrophobicContact CB-CE3 4.39Å; V2146-W2168 HydrophobicContact CG1-CE3 4.19Å; V2146-W2168 PolarHBondContact N-O 3Å; V2146-W2168 PolarHBondContact O-N 3.13Å; L2148-W2168 HydrophobicContact CB-CH2 3.94Å; L2148-W2168 HydrophobicContact CB-CZ3 3.61Å; L2148-W2168 HydrophobicContact CD2-CH2 4.13Å; L2148-W2168 HydrophobicContact CD2-CZ3 4.42Å; K2166-W2168 HydrophobicContact CB-CH2 4.37Å; K2166-W2168 HydrophobicContact CB-CZ2 4.24Å; K2166-W2168 HydrophobicContact CD-CZ2 4.05Å; K2166-W2168 HydrophobicContact CG-CZ2 3.99Å; W2168-P2201 HydrophobicContact CD2-CG 4.45Å; W2168-P2201 HydrophobicContact CH2-CG 3.63Å; W2168-P2201 HydrophobicContact CZ2-CG 3.46Å; W2168-P2201 VanDerWaalsContact CZ2-CG 3.46Å; W2168-P2201 HydrophobicContact CZ3-CG 4.17Å; W2168-I2204 HydrophobicContact CH2-CD1 4.03Å; W2168-F2245 AromaticContact CD1-CE2 3.99Å; W2168-F2245 HydrophobicContact CG-CE2 4.5Å
2169L85.4Confident72.7Confident77 Ų7766.9 Ų66.940%0.40338%0.375SS..EExtended strand (participates in β ladder)trans-95.1113.5176.9-61.7170.9000109.3N2143 E2145 R2242N2143-L2169 HydrophobicContact CB-CD2 4.38Å; E2145-L2169 HydrophobicContact CB-CD2 4.11Å; E2145-L2169 HydrophobicContact CG-CD2 4.23Å; L2169-R2242 PolarHBondContact O-NH2 2.94Å; L2169-R2242 VanDerWaalsContact O-NH2 3.13Å
2170V79.4Confident73.8Confident20 Ų2061.8 Ų61.812%0.12136%0.355CS..EExtended strand (participates in β ladder)trans-104.5111.9177.8-177.70000108.4F2144 I2172 I2196F2144-V2170 HydrophobicContact CB-CB 4.28Å; F2144-V2170 WeakPolarHBondContact CB-O 3.25Å; F2144-V2170 PolarHBondContact N-O 2.95Å; F2144-V2170 PolarHBondContact O-N 2.94Å; V2170-I2172 PolarHBondContact O-N 3.33Å; V2170-I2196 HydrophobicContact CG1-CG2 4.1Å
2171P77.2Confident74.9Confident78 Ų7865.1 Ų65.151%0.50636%0.361SS..EExtended strand (participates in β ladder)trans-68.7125.2179.727.3-32.6000110.3S2173P2171-S2173 PolarHBondContact O-N 3.21Å
2172I72.8Confident75.9Confident19 Ų1963.5 Ų63.510%0.09735%0.347CS..  trans-73.3115.1173.1-58.4171.7000107.4V2142 F2144 V2170 R2179 I2182V2142-I2172 HydrophobicContact CB-CD1 4.4Å; V2142-I2172 HydrophobicContact CG1-CD1 4.16Å; V2142-I2172 WeakPolarHBondContact O-CB 3.13Å; V2142-I2172 WeakPolarHBondContact O-CG1 3.24Å; V2142-I2172 PolarHBondContact O-N 3.39Å; V2142-I2172 VanDerWaalsContact O-N 3.16Å; F2144-I2172 HydrophobicContact CB-CD1 4.34Å; F2144-I2172 HydrophobicContact CB-CG1 4.09Å; V2170-I2172 PolarHBondContact O-N 3.33Å; I2172-R2179 HydrophobicContact CG2-CG 4.31Å; I2172-I2182 HydrophobicContact CD1-CD1 4.28Å; I2172-I2182 HydrophobicContact CG2-CD1 4.05Å
2173S68.3Low76.6Confident54 Ų5461.6 Ų61.638%0.37834%0.336SS..  trans-53.4151.9-177.961.80000111.7P2171 D2175 R2179P2171-S2173 PolarHBondContact O-N 3.21Å; S2173-D2175 PolarHBondContact O-N 3.15Å; S2173-D2175 WeakPolarHBondContact OG-CB 3.48Å; S2173-R2179 PolarHBondContact O-NE 3.07Å
2174L62.9Low76.9Confident119 Ų11956.9 Ų56.962%0.62332%0.318SS*.SBendtrans-66.75173.5-76.9154.6000112.7N2139 M2176N2139-L2174 WeakPolarHBondContact OD1-CD2 3.42Å; L2174-M2176 PolarHBondContact O-N 3.46Å
2175D65.8Low76.7Confident90 Ų9057 Ų5748%0.48132%0.319SS..  trans-69.3114.9-175.7-143.7-11.5000109.8S2173 T2177 I2178 R2179S2173-D2175 PolarHBondContact O-N 3.15Å; S2173-D2175 WeakPolarHBondContact OG-CB 3.48Å; D2175-T2177 PolarHBondContact O-N 3.44Å; D2175-I2178 PolarHBondContact O-N 2.74Å; D2175-R2179 PolarHBondContact O-N 2.97Å
2176M67.5Low76.3Confident163 Ų16354 Ų5480%0.80330%0.298SS*.Hα-helixtrans-57.3-26.2-176.4-90.3-173.9-121.500112L2174 A2180L2174-M2176 PolarHBondContact O-N 3.46Å; M2176-A2180 WeakPolarHBondContact O-CB 3.45Å; M2176-A2180 PolarHBondContact O-N 3.22Å
2177T71.4Confident75.9Confident81 Ų8158.7 Ų58.750%0.49731%0.314SS..Hα-helixtrans-70.7-43.9-177.159.30000113D2175 K2181D2175-T2177 PolarHBondContact O-N 3.44Å; T2177-K2181 VanDerWaalsContact O-CG 3.29Å; T2177-K2181 WeakPolarHBondContact O-CG 3.18Å; T2177-K2181 PolarHBondContact O-N 3.15Å; T2177-K2181 VanDerWaalsContact O-N 3.1Å
2178I67.3Low75Confident46 Ų4656.8 Ų56.824%0.23630%0.304CS..Hα-helixtrans-74.3-43.4178.7-61.1177.8000109.5D2175 A2180 K2181 I2182D2175-I2178 PolarHBondContact O-N 2.74Å; I2178-A2180 VanDerWaalsContact C-N 3.33Å; I2178-A2180 PolarHBondContact O-N 3.32Å; I2178-K2181 PolarHBondContact O-N 3.46Å; I2178-I2182 HydrophobicContact CG2-CD1 3.95Å; I2178-I2182 HydrophobicContact CG2-CG1 4.48Å; I2178-I2182 VanDerWaalsContact O-CG1 3.3Å; I2178-I2182 WeakPolarHBondContact O-CG1 3.34Å; I2178-I2182 PolarHBondContact O-N 2.87Å
2179R74.3Confident74.2Confident16 Ų1660.1 Ų60.16%0.0632%0.323CS..Hα-helixtrans-61-41.1175-70.7-179.3175.1-137.4-1.8112L2136 R2138 T2140 I2172 S2173 D2175 I2182 Q2183L2136-R2179 PolarHBondContact O-NH1 2.9Å; R2138-R2179 PolarHBondContact O-NH1 3.1Å; T2140-R2179 PolarHBondContact O-NH2 3.38Å; I2172-R2179 HydrophobicContact CG2-CG 4.31Å; S2173-R2179 PolarHBondContact O-NE 3.07Å; D2175-R2179 PolarHBondContact O-N 2.97Å; R2179-I2182 PolarHBondContact O-N 3.01Å; R2179-Q2183 WeakPolarHBondContact O-CB 3.47Å; R2179-Q2183 WeakPolarHBondContact O-CG 3.32Å; R2179-Q2183 PolarHBondContact O-N 3.24Å
2180A76.8Confident73.3Confident48 Ų4862.4 Ų62.440%0.39734%0.343SS..Hα-helixtrans-65.2-38.3175.400000112.5M2176 I2178 Q2183 S2184M2176-A2180 WeakPolarHBondContact O-CB 3.45Å; M2176-A2180 PolarHBondContact O-N 3.22Å; I2178-A2180 VanDerWaalsContact C-N 3.33Å; I2178-A2180 PolarHBondContact O-N 3.32Å; A2180-Q2183 PolarHBondContact O-N 2.9Å; A2180-S2184 PolarHBondContact O-N 3.43Å; A2180-S2184 PolarHBondContact O-OG 3.4Å
2181K76.6Confident72.7Confident115 Ų11564.7 Ų64.750%0.537%0.371SS..Hα-helixtrans-66.3-40.6174.3-75.9175.2-178.9-177.10112.6T2177 I2178 Q2183 S2184 A2185T2177-K2181 VanDerWaalsContact O-CG 3.29Å; T2177-K2181 WeakPolarHBondContact O-CG 3.18Å; T2177-K2181 PolarHBondContact O-N 3.15Å; T2177-K2181 VanDerWaalsContact O-N 3.1Å; I2178-K2181 PolarHBondContact O-N 3.46Å; K2181-Q2183 VanDerWaalsContact C-N 3.34Å; K2181-S2184 PolarHBondContact O-OG 2.84Å; K2181-S2184 VanDerWaalsContact O-OG 3.05Å; K2181-A2185 VanDerWaalsContact O-CB 3.25Å; K2181-A2185 WeakPolarHBondContact O-CB 3.36Å; K2181-A2185 PolarHBondContact O-N 3.27Å
2182I78Confident72.5Confident5 Ų564.7 Ų64.73%0.02636%0.364CS..Hα-helixtrans-64.6-42.9173.4-64.6167.4000109.4L2136 I2172 I2178 R2179 A2185 L2186 I2194L2136-I2182 HydrophobicContact CD1-CG2 3.62Å; L2136-I2182 HydrophobicContact CD2-CG2 4.38Å; I2172-I2182 HydrophobicContact CD1-CD1 4.28Å; I2172-I2182 HydrophobicContact CG2-CD1 4.05Å; I2178-I2182 HydrophobicContact CG2-CD1 3.95Å; I2178-I2182 HydrophobicContact CG2-CG1 4.48Å; I2178-I2182 VanDerWaalsContact O-CG1 3.3Å; I2178-I2182 WeakPolarHBondContact O-CG1 3.34Å; I2178-I2182 PolarHBondContact O-N 2.87Å; R2179-I2182 PolarHBondContact O-N 3.01Å; I2182-A2185 PolarHBondContact O-N 3.16Å; I2182-L2186 HydrophobicContact CG2-CD1 3.73Å; I2182-L2186 HydrophobicContact CG2-CG 4.2Å; I2182-L2186 VanDerWaalsContact O-CB 3.27Å; I2182-L2186 WeakPolarHBondContact O-CB 3.32Å; I2182-L2186 WeakPolarHBondContact O-CG 3.45Å; I2182-L2186 PolarHBondContact O-N 3.39Å; I2182-I2194 HydrophobicContact CD1-CG2 4.33Å; I2182-I2194 HydrophobicContact CG1-CD1 4.24Å; I2182-I2194 HydrophobicContact CG1-CG1 4.31Å; I2182-I2194 HydrophobicContact CG1-CG2 3.71Å; I2182-I2194 HydrophobicContact CG2-CD1 4.43Å
2183Q78.8Confident72.6Confident39 Ų3967 Ų6718%0.18238%0.38CS..Hα-helixtrans-62.8-43.3177.2-74.81709.700112.8L2136 R2179 A2180 K2181 L2186 R2187L2136-Q2183 HydrophobicContact CB-CG 4.3Å; L2136-Q2183 PolarHBondContact O-NE2 3.45Å; R2179-Q2183 WeakPolarHBondContact O-CB 3.47Å; R2179-Q2183 WeakPolarHBondContact O-CG 3.32Å; R2179-Q2183 PolarHBondContact O-N 3.24Å; A2180-Q2183 PolarHBondContact O-N 2.9Å; K2181-Q2183 VanDerWaalsContact C-N 3.34Å; Q2183-L2186 PolarHBondContact O-N 2.96Å; Q2183-R2187 WeakPolarHBondContact O-CG 3.32Å; Q2183-R2187 PolarHBondContact O-N 3.09Å
2184S80.7Confident73.1Confident19 Ų1964.7 Ų64.713%0.13336%0.363CS..Hα-helixtrans-69-40.7177.861.20000111.9A2180 K2181 L2186 R2187 G2188 D2189 H2192A2180-S2184 PolarHBondContact O-N 3.43Å; A2180-S2184 PolarHBondContact O-OG 3.4Å; K2181-S2184 PolarHBondContact O-OG 2.84Å; K2181-S2184 VanDerWaalsContact O-OG 3.05Å; S2184-L2186 VanDerWaalsContact C-N 3.35Å; S2184-L2186 PolarHBondContact O-N 3.15Å; S2184-R2187 PolarHBondContact O-N 3.04Å; S2184-R2187 VanDerWaalsContact O-N 3.16Å; S2184-G2188 PolarHBondContact O-N 3.18Å; S2184-D2189 PolarHBondContact O-N 3.07Å; S2184-H2192 PolarHBondContact OG-CD2 3.25Å
2185A79.1Confident74.1Confident3 Ų363.4 Ų63.43%0.02536%0.357CS..Hα-helixtrans-59.3-45.4171.500000111.4K2181 I2182 R2187 G2188 I2194 L2252 W2263K2181-A2185 VanDerWaalsContact O-CB 3.25Å; K2181-A2185 WeakPolarHBondContact O-CB 3.36Å; K2181-A2185 PolarHBondContact O-N 3.27Å; I2182-A2185 PolarHBondContact O-N 3.16Å; A2185-R2187 VanDerWaalsContact C-N 3.26Å; A2185-R2187 PolarHBondContact O-N 2.91Å; A2185-G2188 PolarHBondContact O-N 3.46Å; A2185-G2188 VanDerWaalsContact O-N 3.14Å; A2185-I2194 HydrophobicContact CB-CD1 3.87Å; A2185-I2194 HydrophobicContact CB-CG1 3.83Å; A2185-L2252 WeakPolarHBondContact O-CD2 3.37Å; A2185-W2263 HydrophobicContact CB-CH2 4.48Å
2186L78.7Confident74.7Confident1 Ų159.8 Ų59.81%0.00534%0.337CS..Hα-helixtrans-66.6-23.7177.3-72.7171.1000113.3W2122 R2129 M2132 I2133 L2136 I2182 Q2183 S2184 W2263W2122-L2186 HydrophobicContact CH2-CD2 3.41Å; W2122-L2186 VanDerWaalsContact CH2-CD2 3.41Å; W2122-L2186 HydrophobicContact CZ2-CD2 4.05Å; W2122-L2186 HydrophobicContact CZ3-CD2 4.2Å; R2129-L2186 PolarHBondContact NE-O 3.42Å; R2129-L2186 PolarHBondContact NH2-O 2.93Å; M2132-L2186 HydrophobicContact CG-CD1 3.98Å; M2132-L2186 HydrophobicContact SD-CD1 3.67Å; M2132-L2186 HydrophobicContact SD-CD2 3.59Å; M2132-L2186 VanDerWaalsContact SD-CD2 3.59Å; M2132-L2186 HydrophobicContact SD-CG 4.32Å; I2133-L2186 HydrophobicContact CD1-CB 4.3Å; I2133-L2186 HydrophobicContact CG1-CB 4.02Å; I2133-L2186 HydrophobicContact CG1-CD1 4.19Å; L2136-L2186 HydrophobicContact CD1-CD1 3.3Å; I2182-L2186 HydrophobicContact CG2-CD1 3.73Å; I2182-L2186 HydrophobicContact CG2-CG 4.2Å; I2182-L2186 VanDerWaalsContact O-CB 3.27Å; I2182-L2186 WeakPolarHBondContact O-CB 3.32Å; I2182-L2186 WeakPolarHBondContact O-CG 3.45Å; I2182-L2186 PolarHBondContact O-N 3.39Å; Q2183-L2186 PolarHBondContact O-N 2.96Å; S2184-L2186 VanDerWaalsContact C-N 3.35Å; S2184-L2186 PolarHBondContact O-N 3.15Å; L2186-W2263 HydrophobicContact CD2-CH2 4.46Å; L2186-W2263 HydrophobicContact CD2-CZ2 4.09Å
2187R78.8Confident75.2Confident157 Ų15755.2 Ų55.259%0.59232%0.32SS*.Hα-helixtrans-78.5-18.7174.7-77.8175.2-178.1179.52.6113.1R2129 I2133 Q2183 S2184 A2185R2129-R2187 PolarHBondContact NH2-O 2.96Å; I2133-R2187 HydrophobicContact CD1-CG 4.43Å; Q2183-R2187 WeakPolarHBondContact O-CG 3.32Å; Q2183-R2187 PolarHBondContact O-N 3.09Å; S2184-R2187 PolarHBondContact O-N 3.04Å; S2184-R2187 VanDerWaalsContact O-N 3.16Å; A2185-R2187 VanDerWaalsContact C-N 3.26Å; A2185-R2187 PolarHBondContact O-N 2.91Å
2188G68.3Low75.6Confident25 Ų2553.7 Ų53.726%0.25831%0.307SS..THydrogen-bonded Turntrans94.621.5178.400000113.6S2184 A2185 P2190S2184-G2188 PolarHBondContact O-N 3.18Å; A2185-G2188 PolarHBondContact O-N 3.46Å; A2185-G2188 VanDerWaalsContact O-N 3.14Å; G2188-P2190 VanDerWaalsContact O-CD 3.28Å; G2188-P2190 WeakPolarHBondContact O-CD 3.37Å
2189D70.2Confident76.2Confident87 Ų8751.5 Ų51.547%0.46530%0.296SS..  trans-74.1113.5174.2-69.9-33.6000109.6S2184 G2191S2184-D2189 PolarHBondContact O-N 3.07Å; D2189-G2191 PolarHBondContact O-N 3.15Å
2190P65.5Low76.8Confident126 Ų12650.8 Ų50.882%0.81829%0.293SS*.THydrogen-bonded Turntrans-62.1133.3179.425.3-32.4000110.3G2188G2188-P2190 VanDerWaalsContact O-CD 3.28Å; G2188-P2190 WeakPolarHBondContact O-CD 3.37Å
2191G66.6Low77.2Confident68 Ų6848.5 Ų48.570%0.70127%0.274SS*.THydrogen-bonded Turntrans107.911.8175.100000117.2D2189 P2193D2189-G2191 PolarHBondContact O-N 3.15Å; G2191-P2193 VanDerWaalsContact O-CD 3.32Å; G2191-P2193 WeakPolarHBondContact O-CD 3.2Å
2192H73.8Confident77.4Confident77 Ų7743.3 Ų43.336%0.35625%0.252SS..  trans-116.284.8179.4-65.488.1000113S2184S2184-H2192 PolarHBondContact OG-CD2 3.25Å
2193P75.8Confident77.9Confident68 Ų6843.3 Ų43.344%0.44225%0.252SS..  trans-69.6137.1174.727.1-33.1000112G2191 L2250 N2251G2191-P2193 VanDerWaalsContact O-CD 3.32Å; G2191-P2193 WeakPolarHBondContact O-CD 3.2Å; P2193-L2250 WeakPolarHBondContact CA-O 3.39Å; P2193-N2251 VanDerWaalsContact CA-OD1 3.26Å; P2193-N2251 WeakPolarHBondContact CA-OD1 3.38Å; P2193-N2251 WeakPolarHBondContact CB-OD1 3.47Å
2194I79Confident78.4Confident6 Ų641.5 Ų41.53%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-90.9108.3176.5-52.4173.4000108.5I2182 A2185 I2196 T2249 L2250 W2263I2182-I2194 HydrophobicContact CD1-CG2 4.33Å; I2182-I2194 HydrophobicContact CG1-CD1 4.24Å; I2182-I2194 HydrophobicContact CG1-CG1 4.31Å; I2182-I2194 HydrophobicContact CG1-CG2 3.71Å; I2182-I2194 HydrophobicContact CG2-CD1 4.43Å; A2185-I2194 HydrophobicContact CB-CD1 3.87Å; A2185-I2194 HydrophobicContact CB-CG1 3.83Å; I2194-I2196 HydrophobicContact CG2-CD1 4.04Å; I2194-I2196 HydrophobicContact CG2-CG1 3.92Å; I2194-T2249 CarbonylContact O-C 3.5Å; I2194-T2249 VanDerWaalsContact O-CA 3.29Å; I2194-T2249 WeakPolarHBondContact O-CA 3.49Å; I2194-L2250 HydrophobicContact CB-CB 4.12Å; I2194-L2250 PolarHBondContact N-O 3.45Å; I2194-L2250 PolarHBondContact O-N 3.08Å; I2194-W2263 HydrophobicContact CD1-CH2 3.6Å; I2194-W2263 HydrophobicContact CD1-CZ3 3.52Å; I2194-W2263 HydrophobicContact CG1-CZ3 4.42Å
2195L82.5Confident78.9Confident92 Ų9242.2 Ų42.248%0.48225%0.245SC..EExtended strand (participates in β ladder)trans-93.5120.1173.9179.270.5000109.8T2249L2195-T2249 HydrophobicContact CB-CG2 4.47Å; L2195-T2249 HydrophobicContact CD1-CG2 3.41Å; L2195-T2249 VanDerWaalsContact CD1-CG2 3.41Å
2196I79.4Confident79.2Confident13 Ų1342.1 Ų42.17%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-116.9100.8176.4-59.5175.2000108.1F2144 V2170 I2194 S2199 L2248 L2250F2144-I2196 HydrophobicContact CD1-CD1 3.73Å; F2144-I2196 HydrophobicContact CD1-CG2 4.05Å; F2144-I2196 HydrophobicContact CD2-CD1 3.37Å; F2144-I2196 HydrophobicContact CE1-CD1 3.49Å; F2144-I2196 VanDerWaalsContact CE1-CD1 3.49Å; F2144-I2196 HydrophobicContact CE1-CG2 4.26Å; F2144-I2196 HydrophobicContact CE2-CD1 3.12Å; F2144-I2196 HydrophobicContact CG-CD1 3.63Å; F2144-I2196 HydrophobicContact CZ-CD1 3.15Å; F2144-I2196 HydrophobicContact CZ-CG1 4.49Å; V2170-I2196 HydrophobicContact CG1-CG2 4.1Å; I2194-I2196 HydrophobicContact CG2-CD1 4.04Å; I2194-I2196 HydrophobicContact CG2-CG1 3.92Å; I2196-S2199 PolarHBondContact O-OG 3.16Å; I2196-S2199 VanDerWaalsContact O-OG 3.09Å; I2196-L2248 PolarHBondContact N-O 3.13Å; I2196-L2248 PolarHBondContact O-N 3.3Å; I2196-L2250 HydrophobicContact CD1-CD1 4.48Å
2197P77.8Confident79.4Confident68 Ų6842.8 Ų42.844%0.44225%0.249SC..EExtended strand (participates in β ladder)trans-65.4144.9-17827.3-33000111.1S2199P2197-S2199 PolarHBondContact O-N 3.34Å
2198Q79.3Confident79Confident49 Ų4937.3 Ų37.323%0.22923%0.231CC..EExtended strand (participates in β ladder)trans55.651.9168.4-58.6175.6-28.400115.1F2245Q2198-F2245 HydrophobicContact CB-CB 4.3Å
2199S80.3Confident79.1Confident0 Ų041.9 Ų41.90%025%0.246CC..EExtended strand (participates in β ladder)trans-110.1-25.9-169.546.30000115.8I2196 P2197 D2246 L2248I2196-S2199 PolarHBondContact O-OG 3.16Å; I2196-S2199 VanDerWaalsContact O-OG 3.09Å; P2197-S2199 PolarHBondContact O-N 3.34Å; S2199-D2246 PolarHBondContact N-O 3.48Å; S2199-L2248 WeakPolarHBondContact OG-CB 3.28Å; S2199-L2248 PolarHBondContact OG-N 2.73Å
2200I86.1Confident79.2Confident1 Ų139.8 Ų39.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-131130.8-178.7-167172.8000111.9L2039 V2146 F2245 D2246 L2248 L2292 V2294L2039-I2200 HydrophobicContact CD1-CD1 3.97Å; L2039-I2200 HydrophobicContact CD2-CD1 3.92Å; V2146-I2200 HydrophobicContact CG1-CG1 4.42Å; I2200-F2245 CarbonylContact O-C 3.57Å; I2200-F2245 WeakPolarHBondContact O-CA 3.3Å; I2200-F2245 WeakPolarHBondContact O-CB 3.36Å; I2200-D2246 HydrophobicContact CG2-CB 3.72Å; I2200-D2246 PolarHBondContact N-O 3.09Å; I2200-D2246 PolarHBondContact O-N 2.93Å; I2200-L2248 HydrophobicContact CG2-CD1 4.41Å; I2200-L2292 HydrophobicContact CD1-CD1 4.32Å; I2200-L2292 HydrophobicContact CD1-CD2 4.39Å; I2200-V2294 HydrophobicContact CD1-CG2 3.98Å; I2200-V2294 HydrophobicContact CG1-CG2 4.4Å
2201P86.1Confident80Confident0 Ų040.4 Ų40.40%024%0.237CC..EExtended strand (participates in β ladder)trans-77.5134.5178.927.5-31.4000112.6W2168 I2204 L2214 W2244 F2245W2168-P2201 HydrophobicContact CD2-CG 4.45Å; W2168-P2201 HydrophobicContact CH2-CG 3.63Å; W2168-P2201 HydrophobicContact CZ2-CG 3.46Å; W2168-P2201 VanDerWaalsContact CZ2-CG 3.46Å; W2168-P2201 HydrophobicContact CZ3-CG 4.17Å; P2201-I2204 HydrophobicContact CB-CG1 4.32Å; P2201-I2204 HydrophobicContact CG-CD1 3.88Å; P2201-I2204 HydrophobicContact CG-CG1 3.97Å; P2201-L2214 HydrophobicContact CB-CD2 3.73Å; P2201-L2214 HydrophobicContact CG-CD2 4.09Å; P2201-W2244 HydrophobicContact CB-CH2 4.32Å; P2201-W2244 HydrophobicContact CB-CZ3 4.5Å; P2201-F2245 HydrophobicContact CB-CD1 3.95Å; P2201-F2245 HydrophobicContact CB-CE1 3.76Å; P2201-F2245 HydrophobicContact CB-CE2 4.45Å; P2201-F2245 HydrophobicContact CB-CG 4.4Å; P2201-F2245 HydrophobicContact CB-CZ 4.02Å; P2201-F2245 HydrophobicContact CG-CZ 4.47Å
2202A80.7Confident80.8Confident5 Ų537.2 Ų37.24%0.04120%0.203CC..SBendtrans-73-27.5177.900000114W2278 V2295A2202-W2278 HydrophobicContact CB-CE3 4.36Å; A2202-W2278 HydrophobicContact CB-CZ3 3.79Å; A2202-V2295 WeakPolarHBondContact O-CB 3.26Å; A2202-V2295 PolarHBondContact O-N 2.98Å
2203F88.1Confident81.4Confident5 Ų536.1 Ų36.12%0.02220%0.202CC..EExtended strand (participates in β ladder)trans-128.2132.6-177.5-62.4-76000111.1L2075 P2215 I2218 I2222 W2244 W2278 I2279 V2295 F2297L2075-F2203 HydrophobicContact CD1-CZ 4.29Å; F2203-P2215 HydrophobicContact CB-CG 3.68Å; F2203-P2215 WeakPolarHBondContact O-CD 3.26Å; F2203-I2218 HydrophobicContact CD2-CG2 4.13Å; F2203-I2218 HydrophobicContact CE2-CG2 4.29Å; F2203-I2222 HydrophobicContact CD2-CD1 4.35Å; F2203-I2222 HydrophobicContact CE2-CD1 4.14Å; F2203-W2244 HydrophobicContact CB-CH2 4.25Å; F2203-W2244 HydrophobicContact CB-CZ3 3.85Å; F2203-W2244 HydrophobicContact CD2-CE3 4.36Å; F2203-W2244 AromaticContact CD2-CZ3 3.96Å; F2203-W2244 HydrophobicContact CD2-CZ3 3.96Å; F2203-W2244 HydrophobicContact CG-CZ3 4.41Å; F2203-W2244 WeakPolarHBondContact O-CH2 3.29Å; F2203-W2278 HydrophobicContact CE2-CE3 4.28Å; F2203-W2278 HydrophobicContact CE2-CZ3 4.05Å; F2203-I2279 HydrophobicContact CE1-CD1 4.44Å; F2203-V2295 CarbonylContact C-O 3.49Å; F2203-V2295 WeakPolarHBondContact CA-O 3.34Å; F2203-V2295 HydrophobicContact CD1-CB 3.8Å; F2203-V2295 HydrophobicContact CD1-CG1 4.01Å; F2203-V2295 HydrophobicContact CD1-CG2 4.34Å; F2203-V2295 HydrophobicContact CE1-CB 4.19Å; F2203-V2295 HydrophobicContact CE1-CG1 4.28Å; F2203-V2295 HydrophobicContact CE1-CG2 4.28Å; F2203-F2297 HydrophobicContact CB-CE2 4.16Å; F2203-F2297 AromaticContact CD1-CE2 3.89Å; F2203-F2297 HydrophobicContact CD1-CE2 3.89Å; F2203-F2297 HydrophobicContact CD1-CZ 4.23Å; F2203-F2297 HydrophobicContact CG-CE2 4.43Å
2204I90.3Very high81.9Confident1 Ų134.8 Ų34.81%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-140.6141.6-174.2-57.7-179.9000109.6L2148 F2150 W2168 P2201 L2212 V2294 V2295 G2296 F2297L2148-I2204 HydrophobicContact CD2-CD1 3.07Å; F2150-I2204 HydrophobicContact CE2-CG2 4.41Å; W2168-I2204 HydrophobicContact CH2-CD1 4.03Å; P2201-I2204 HydrophobicContact CB-CG1 4.32Å; P2201-I2204 HydrophobicContact CG-CD1 3.88Å; P2201-I2204 HydrophobicContact CG-CG1 3.97Å; I2204-L2212 HydrophobicContact CG2-CB 4Å; I2204-L2212 HydrophobicContact CG2-CD1 4.44Å; I2204-L2212 HydrophobicContact CG2-CD2 4.08Å; I2204-L2212 HydrophobicContact CG2-CG 4.41Å; I2204-V2294 HydrophobicContact CD1-CG1 3.48Å; I2204-V2294 VanDerWaalsContact CD1-CG1 3.48Å; I2204-V2294 HydrophobicContact CG1-CG1 4.02Å; I2204-V2295 PolarHBondContact N-O 3.46Å; I2204-G2296 CarbonylContact O-C 3.51Å; I2204-G2296 VanDerWaalsContact O-CA 3.29Å; I2204-G2296 WeakPolarHBondContact O-CA 3.41Å; I2204-F2297 WeakPolarHBondContact O-CD2 3.38Å; I2204-F2297 PolarHBondContact O-N 3.04Å
2205Q89.5Confident82.1Confident34 Ų3434.6 Ų34.616%0.15919%0.19CC..EExtended strand (participates in β ladder)trans-104.5132.9170.8175.5-173.82.700110Y2100 Y2104 P2207 T2213 F2297 D2299Y2100-Q2205 WeakPolarHBondContact OH-CB 3.36Å; Y2100-Q2205 VanDerWaalsContact OH-CD 3.22Å; Y2100-Q2205 PolarHBondContact OH-OE1 3.42Å; Y2104-Q2205 PolarHBondContact OH-NE2 3.4Å; Y2104-Q2205 VanDerWaalsContact OH-NE2 3.14Å; Q2205-P2207 VanDerWaalsContact O-CD 3.31Å; Q2205-P2207 WeakPolarHBondContact O-CD 3.48Å; Q2205-T2213 VanDerWaalsContact CB-OG1 3.3Å; Q2205-T2213 WeakPolarHBondContact CB-OG1 3.49Å; Q2205-T2213 WeakPolarHBondContact CG-OG1 3.31Å; Q2205-T2213 PolarHBondContact N-O 2.91Å; Q2205-T2213 PolarHBondContact O-N 2.86Å; Q2205-T2213 PolarHBondContact O-OG1 3.4Å; Q2205-T2213 PolarHBondContact OE1-OG1 3.29Å; Q2205-F2297 CarbonylContact C-O 3.3Å; Q2205-F2297 WeakPolarHBondContact CA-O 3.27Å; Q2205-F2297 HydrophobicContact CB-CB 4.41Å; Q2205-D2299 PolarHBondContact NE2-OD1 2.78Å; Q2205-D2299 PolarHBondContact NE2-OD2 3.09Å
2206V86.8Confident81.9Confident2 Ų234.7 Ų34.71%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-104.596.7176.8-166.50000107.7F2150 R2152 H2164 L2212 F2297 I2298 D2299F2150-V2206 HydrophobicContact CB-CG1 4.45Å; F2150-V2206 HydrophobicContact CD1-CG2 4.07Å; F2150-V2206 HydrophobicContact CD2-CG2 4.23Å; F2150-V2206 HydrophobicContact CE1-CG2 4.1Å; F2150-V2206 HydrophobicContact CE2-CG2 4.23Å; F2150-V2206 HydrophobicContact CG-CG2 4.14Å; F2150-V2206 HydrophobicContact CZ-CG2 4.17Å; R2152-V2206 VanDerWaalsContact NH2-CG1 3.32Å; R2152-V2206 PolarHBondContact NH2-O 2.88Å; H2164-V2206 HydrophobicContact CB-CG1 4.29Å; V2206-L2212 HydrophobicContact CB-CD2 4.31Å; V2206-L2212 HydrophobicContact CG1-CD2 4.13Å; V2206-L2212 HydrophobicContact CG2-CD2 3.95Å; V2206-F2297 PolarHBondContact N-O 3.31Å; V2206-I2298 HydrophobicContact CG2-CG1 4.46Å; V2206-D2299 PolarHBondContact O-N 3.27Å
2207P81.7Confident82Confident15 Ų1535.2 Ų35.210%0.09720%0.2CC..  trans-71161.9-179.230.3-35.4000112R2152 H2164 Q2205 Q2209 E2211 D2299R2152-P2207 PolarHBondContact NH2-O 3.41Å; H2164-P2207 PolarHBondContact CE1-O 2.97Å; Q2205-P2207 VanDerWaalsContact O-CD 3.31Å; Q2205-P2207 WeakPolarHBondContact O-CD 3.48Å; P2207-Q2209 VanDerWaalsContact C-N 3.26Å; P2207-Q2209 PolarHBondContact O-N 2.9Å; P2207-E2211 WeakPolarHBondContact CG-O 3.3Å; P2207-D2299 WeakPolarHBondContact CA-OD2 3.41Å
2208N71.3Confident82.1Confident42 Ų4232 Ų3223%0.22518%0.179CC..SBendtrans-61.9-33.5173.3-74-18.4000113.2D2299 R2300N2208-D2299 WeakPolarHBondContact OD1-CB 3.49Å; N2208-D2299 PolarHBondContact OD1-O 3.13Å; N2208-R2300 PolarHBondContact ND2-O 3.5Å; N2208-R2300 VanDerWaalsContact OD1-C 3.22Å; N2208-R2300 PolarHBondContact OD1-O 3.34Å
2209Q69.3Low82Confident120 Ų12029.8 Ų29.856%0.56117%0.169SC*.SBendtrans-143.5134.8179.1-62.4-170-17.300108.8P2207P2207-Q2209 VanDerWaalsContact C-N 3.26Å; P2207-Q2209 PolarHBondContact O-N 2.9Å
2210G73.6Confident81.9Confident43 Ų4333 Ų3344%0.44319%0.187SC..SBendtrans110.4-172.6177.200000114.7H2164H2164-G2210 PolarHBondContact ND1-O 3.48Å
2211E81.7Confident81.5Confident139 Ų13933.2 Ų33.265%0.6519%0.187SC*.SBendtrans-75.7163.4179.1-62.2177178.900112.1P2207 T2213P2207-E2211 WeakPolarHBondContact CG-O 3.3Å; E2211-T2213 PolarHBondContact O-N 3.31Å
2212L84.7Confident81Confident1 Ų133.7 Ų33.71%0.00519%0.19CC..  trans-61.2131.2175.5-61.5168000111.2L2148 F2150 H2164 K2166 I2204 V2206L2148-L2212 HydrophobicContact CB-CD1 4.36Å; L2148-L2212 HydrophobicContact CD2-CD1 4.2Å; L2148-L2212 HydrophobicContact CG-CD1 4.31Å; L2148-L2212 WeakPolarHBondContact O-CD1 3.39Å; F2150-L2212 HydrophobicContact CB-CD2 4.49Å; F2150-L2212 HydrophobicContact CD2-CD1 3.74Å; F2150-L2212 HydrophobicContact CD2-CD2 3.5Å; F2150-L2212 HydrophobicContact CD2-CG 4.26Å; F2150-L2212 HydrophobicContact CE2-CD1 4.11Å; F2150-L2212 HydrophobicContact CE2-CD2 4Å; F2150-L2212 HydrophobicContact CG-CD2 4.26Å; H2164-L2212 HydrophobicContact CB-CD2 3.84Å; H2164-L2212 HydrophobicContact CB-CG 4.22Å; K2166-L2212 HydrophobicContact CB-CB 3.92Å; K2166-L2212 HydrophobicContact CB-CD1 4.1Å; K2166-L2212 HydrophobicContact CB-CG 4.39Å; K2166-L2212 HydrophobicContact CD-CB 4.27Å; K2166-L2212 WeakPolarHBondContact CD-O 3.33Å; K2166-L2212 PolarHBondContact NZ-O 3.46Å; I2204-L2212 HydrophobicContact CG2-CB 4Å; I2204-L2212 HydrophobicContact CG2-CD1 4.44Å; I2204-L2212 HydrophobicContact CG2-CD2 4.08Å; I2204-L2212 HydrophobicContact CG2-CG 4.41Å; V2206-L2212 HydrophobicContact CB-CD2 4.31Å; V2206-L2212 HydrophobicContact CG1-CD2 4.13Å; V2206-L2212 HydrophobicContact CG2-CD2 3.95Å
2213T86.1Confident80.5Confident54 Ų5434.6 Ų34.633%0.33119%0.194SC..BIsolated β-bridgetrans-105.5155.6179.753.60000110.9Q2205 E2211Q2205-T2213 VanDerWaalsContact CB-OG1 3.3Å; Q2205-T2213 WeakPolarHBondContact CB-OG1 3.49Å; Q2205-T2213 WeakPolarHBondContact CG-OG1 3.31Å; Q2205-T2213 PolarHBondContact N-O 2.91Å; Q2205-T2213 PolarHBondContact O-N 2.86Å; Q2205-T2213 PolarHBondContact O-OG1 3.4Å; Q2205-T2213 PolarHBondContact OE1-OG1 3.29Å; E2211-T2213 PolarHBondContact O-N 3.31Å
2214L84.8Confident79.5Confident41 Ų4137.4 Ų37.422%0.21521%0.209CC..  trans-98133.9175.4-67.1163.7000108.3P2201 T2216 W2244 F2245P2201-L2214 HydrophobicContact CB-CD2 3.73Å; P2201-L2214 HydrophobicContact CG-CD2 4.09Å; L2214-T2216 VanDerWaalsContact C-N 3.3Å; L2214-T2216 PolarHBondContact O-N 2.89Å; L2214-W2244 HydrophobicContact CB-CZ2 4.3Å; L2214-W2244 HydrophobicContact CD2-CH2 3.95Å; L2214-W2244 HydrophobicContact CD2-CZ2 3.99Å; L2214-F2245 HydrophobicContact CD1-CE1 4.37Å; L2214-F2245 HydrophobicContact CD1-CZ 4.03Å; L2214-F2245 HydrophobicContact CD2-CE1 4.23Å; L2214-F2245 HydrophobicContact CD2-CZ 4.24Å
2215P84.8Confident78.1Confident1 Ų138.7 Ų38.71%0.00622%0.216CC..  trans-7383.4177.128.6-32.7000110.6Y2100 F2203 S2217 I2218 G2219 F2297Y2100-P2215 HydrophobicContact CE1-CB 3.67Å; F2203-P2215 HydrophobicContact CB-CG 3.68Å; F2203-P2215 WeakPolarHBondContact O-CD 3.26Å; P2215-S2217 PolarHBondContact O-N 3.04Å; P2215-I2218 HydrophobicContact CB-CB 4.34Å; P2215-I2218 HydrophobicContact CB-CD1 4.05Å; P2215-I2218 HydrophobicContact CB-CG1 4.32Å; P2215-I2218 HydrophobicContact CG-CD1 4.34Å; P2215-I2218 PolarHBondContact O-N 2.8Å; P2215-I2218 VanDerWaalsContact O-N 3.08Å; P2215-G2219 PolarHBondContact O-N 3.1Å; P2215-F2297 HydrophobicContact CG-CD2 4.43Å; P2215-F2297 HydrophobicContact CG-CE2 4.28Å
2216T78.5Confident76.4Confident94 Ų9439.7 Ų39.758%0.57724%0.235SC*.Hα-helixtrans-59.7-29.2-174.455.80000113.3L2214 N2220L2214-T2216 VanDerWaalsContact C-N 3.3Å; L2214-T2216 PolarHBondContact O-N 2.89Å; T2216-N2220 WeakPolarHBondContact O-CB 3.41Å; T2216-N2220 PolarHBondContact O-N 3.38Å; T2216-N2220 PolarHBondContact O-ND2 3.43Å; T2216-N2220 VanDerWaalsContact O-ND2 3.13Å
2217S80.2Confident74.9Confident24 Ų2444.6 Ų44.617%0.16826%0.261CS..Hα-helixtrans-59.7-49.6174.6-50.50000111.3S2097 P2215 T2221S2097-S2217 PolarHBondContact OG-O 3.46Å; P2215-S2217 PolarHBondContact O-N 3.04Å; S2217-T2221 PolarHBondContact O-N 2.93Å; S2217-T2221 PolarHBondContact O-OG1 3.41Å
2218I80.5Confident73.6Confident2 Ų249.2 Ų49.21%0.0129%0.292CS..Hα-helixtrans-65.3-51.5178.6-61.4176.8000109.3Y2100 F2203 P2215 N2220 T2221 I2222 F2297Y2100-I2218 HydrophobicContact CD1-CD1 3.93Å; Y2100-I2218 HydrophobicContact CD1-CG1 4.21Å; Y2100-I2218 HydrophobicContact CE1-CD1 4.1Å; F2203-I2218 HydrophobicContact CD2-CG2 4.13Å; F2203-I2218 HydrophobicContact CE2-CG2 4.29Å; P2215-I2218 HydrophobicContact CB-CB 4.34Å; P2215-I2218 HydrophobicContact CB-CD1 4.05Å; P2215-I2218 HydrophobicContact CB-CG1 4.32Å; P2215-I2218 HydrophobicContact CG-CD1 4.34Å; P2215-I2218 PolarHBondContact O-N 2.8Å; P2215-I2218 VanDerWaalsContact O-N 3.08Å; I2218-N2220 VanDerWaalsContact C-N 3.34Å; I2218-N2220 PolarHBondContact O-N 3.33Å; I2218-T2221 WeakPolarHBondContact O-CB 3.45Å; I2218-T2221 PolarHBondContact O-N 2.72Å; I2218-I2222 HydrophobicContact CG2-CD1 3.95Å; I2218-I2222 HydrophobicContact CG2-CG1 4.48Å; I2218-I2222 WeakPolarHBondContact O-CG1 3.2Å; I2218-I2222 PolarHBondContact O-N 3.47Å; I2218-I2222 VanDerWaalsContact O-N 3.1Å; I2218-F2297 HydrophobicContact CD1-CE1 4.47Å; I2218-F2297 HydrophobicContact CD1-CE2 3.88Å; I2218-F2297 HydrophobicContact CD1-CZ 3.62Å
2219G77Confident73Confident2 Ų253.3 Ų53.32%0.02130%0.304CS..Hα-helixtrans-56.2-43.1179.400000113.6P2215 T2221 I2222 I2223P2215-G2219 PolarHBondContact O-N 3.1Å; G2219-T2221 PolarHBondContact O-N 2.73Å; G2219-I2222 PolarHBondContact O-N 2.95Å; G2219-I2222 VanDerWaalsContact O-N 3.15Å; G2219-I2223 WeakPolarHBondContact O-CD1 3.08Å; G2219-I2223 VanDerWaalsContact O-CG1 3.28Å; G2219-I2223 WeakPolarHBondContact O-CG1 3.46Å; G2219-I2223 PolarHBondContact O-N 2.86Å
2220N77.9Confident72.8Confident68 Ų6848.9 Ų48.936%0.36428%0.284SS..Hα-helixtrans-63.9-29.8178-76.4-24.8000113.3R2093 T2216 I2218 N2224R2093-N2220 WeakPolarHBondContact CD-O 3.49Å; T2216-N2220 WeakPolarHBondContact O-CB 3.41Å; T2216-N2220 PolarHBondContact O-N 3.38Å; T2216-N2220 PolarHBondContact O-ND2 3.43Å; T2216-N2220 VanDerWaalsContact O-ND2 3.13Å; I2218-N2220 VanDerWaalsContact C-N 3.34Å; I2218-N2220 PolarHBondContact O-N 3.33Å; N2220-N2224 WeakPolarHBondContact O-CB 3.24Å; N2220-N2224 PolarHBondContact O-N 3.1Å; N2220-N2224 PolarHBondContact O-ND2 2.92Å
2221T77.5Confident72.4Confident4 Ų452.4 Ų52.43%0.02529%0.292CS..Hα-helixtrans-76.8-33.3177.7-49.60000110.9L2079 S2082 R2093 S2097 S2217 I2218 G2219L2079-T2221 HydrophobicContact CD2-CG2 4.41Å; S2082-T2221 WeakPolarHBondContact OG-CG2 3.39Å; R2093-T2221 PolarHBondContact O-OG1 2.84Å; S2097-T2221 PolarHBondContact OG-OG1 3.48Å; S2217-T2221 PolarHBondContact O-N 2.93Å; S2217-T2221 PolarHBondContact O-OG1 3.41Å; I2218-T2221 WeakPolarHBondContact O-CB 3.45Å; I2218-T2221 PolarHBondContact O-N 2.72Å; G2219-T2221 PolarHBondContact O-N 2.73Å
2222I75.5Confident71.6Confident11 Ų1147.3 Ų47.36%0.05627%0.271CS..Hα-helixtrans-69.7-46.7175-59.6172.1000111.3F2203 I2218 G2219 I2230 W2244 L2277 W2278F2203-I2222 HydrophobicContact CD2-CD1 4.35Å; F2203-I2222 HydrophobicContact CE2-CD1 4.14Å; I2218-I2222 HydrophobicContact CG2-CD1 3.95Å; I2218-I2222 HydrophobicContact CG2-CG1 4.48Å; I2218-I2222 WeakPolarHBondContact O-CG1 3.2Å; I2218-I2222 PolarHBondContact O-N 3.47Å; I2218-I2222 VanDerWaalsContact O-N 3.1Å; G2219-I2222 PolarHBondContact O-N 2.95Å; G2219-I2222 VanDerWaalsContact O-N 3.15Å; I2222-I2230 HydrophobicContact CG2-CD1 3.91Å; I2222-W2244 HydrophobicContact CB-CB 4.39Å; I2222-W2244 HydrophobicContact CD1-CB 4.5Å; I2222-W2244 HydrophobicContact CD1-CE3 4.32Å; I2222-W2244 HydrophobicContact CG2-CB 3.87Å; I2222-L2277 HydrophobicContact CB-CD2 4.34Å; I2222-L2277 HydrophobicContact CD1-CD2 4.49Å; I2222-L2277 HydrophobicContact CG1-CD2 3.78Å; I2222-L2277 HydrophobicContact CG1-CG 4.46Å; I2222-L2277 HydrophobicContact CG2-CD2 4.08Å; I2222-W2278 HydrophobicContact CD1-CH2 4.4Å; I2222-W2278 HydrophobicContact CG2-CH2 4.45Å; I2222-W2278 HydrophobicContact CG2-CZ2 4.48Å
2223I72.1Confident70.4Confident24 Ų2452.8 Ų52.812%0.12331%0.305CS..Hα-helixtrans-68.9-41.5-174.5-64.8161.6000112.1G2219 T2232 E2240 A2243G2219-I2223 WeakPolarHBondContact O-CD1 3.08Å; G2219-I2223 VanDerWaalsContact O-CG1 3.28Å; G2219-I2223 WeakPolarHBondContact O-CG1 3.46Å; G2219-I2223 PolarHBondContact O-N 2.86Å; I2223-T2232 HydrophobicContact CG2-CG2 3.78Å; I2223-E2240 VanDerWaalsContact CD1-O 3.31Å; I2223-E2240 WeakPolarHBondContact CD1-O 2.94Å; I2223-A2243 HydrophobicContact CG1-CB 4.39Å
2224N66.9Low69.4Low64 Ų6454.3 Ų54.334%0.34233%0.33SS..THydrogen-bonded Turntrans-111.128.6-166.9-58.8-65.4000113R2093 N2220R2093-N2224 PolarHBondContact NH2-O 3.44Å; N2220-N2224 WeakPolarHBondContact O-CB 3.24Å; N2220-N2224 PolarHBondContact O-N 3.1Å; N2220-N2224 PolarHBondContact O-ND2 2.92Å
2225D59.3Low68.6Low28 Ų2855.1 Ų55.115%0.1533%0.334CS..  trans-68.3135.2169.8-151.76.3000107.6N2227 R2229D2225-N2227 PolarHBondContact O-N 3.19Å; D2225-N2227 VanDerWaalsContact O-O 3.11Å; D2225-R2229 IonicContact OD2-CZ 3.64Å; D2225-R2229 IonicContact OD2-NH1 3.09Å; D2225-R2229 PolarHBondContact OD2-NH1 2.82Å
2226G53.6Low67.8Low54 Ų5461.8 Ų61.856%0.55737%0.365SS*.SBendtrans-64.212.1-168.300000116.8
2227N57.2Low67.2Low105 Ų10566 Ų6656%0.56138%0.375SS*.SBendtrans-121.3131.6172.9-71.7-34000108.4D2225 R2229D2225-N2227 PolarHBondContact O-N 3.19Å; D2225-N2227 VanDerWaalsContact O-O 3.11Å; N2227-R2229 PolarHBondContact O-N 2.95Å
2228P52.9Low66.5Low113 Ų11367.7 Ų67.773%0.73439%0.387SS*.  trans-73.374.6-178.232.1-34000110I2230P2228-I2230 VanDerWaalsContact C-N 3.3Å
2229R59.3Low65.9Low128 Ų12869.9 Ų69.948%0.48340%0.399SS..SBendtrans-73.4-29.3168.6-70.4-175.6177142.21.8110.5D2225 N2227D2225-R2229 IonicContact OD2-CZ 3.64Å; D2225-R2229 IonicContact OD2-NH1 3.09Å; D2225-R2229 PolarHBondContact OD2-NH1 2.82Å; N2227-R2229 PolarHBondContact O-N 2.95Å
2230I64.3Low65.6Low26 Ų2673.7 Ų73.713%0.13342%0.416CS..SBendtrans-134.7122.2179.6-55.4175.6000107.4I2222 P2228 T2232 A2243 P2270I2222-I2230 HydrophobicContact CG2-CD1 3.91Å; P2228-I2230 VanDerWaalsContact C-N 3.3Å; I2230-T2232 HydrophobicContact CG2-CG2 4.37Å; I2230-T2232 PolarHBondContact O-N 2.97Å; I2230-A2243 HydrophobicContact CG2-CB 4.04Å; I2230-A2243 WeakPolarHBondContact CG2-O 3.38Å; I2230-P2270 HydrophobicContact CD1-CB 4.29Å; I2230-P2270 HydrophobicContact CD1-CG 4.22Å; I2230-P2270 HydrophobicContact CG1-CB 4.48Å
2231N65Low65.2Low118 Ų11872.9 Ų72.963%0.63142%0.419SS*.  trans-91.596.3-173.5-147.717.1000109.9T2233N2231-T2233 PolarHBondContact OD1-OG1 3.46Å
2232T65.5Low65Low31 Ų3175.5 Ų75.519%0.1943%0.428CS..  trans-90.62.2-178.351.80000114.2I2223 I2230 G2234 M2235 A2243I2223-T2232 HydrophobicContact CG2-CG2 3.78Å; I2230-T2232 HydrophobicContact CG2-CG2 4.37Å; I2230-T2232 PolarHBondContact O-N 2.97Å; T2232-G2234 PolarHBondContact O-N 3.12Å; T2232-M2235 HydrophobicContact CG2-SD 4.43Å; T2232-M2235 PolarHBondContact O-N 2.68Å; T2232-A2243 HydrophobicContact CG2-CB 3.8Å
2233T60.3Low65Low117 Ų11775 Ų7572%0.71843%0.425SS*.THydrogen-bonded Turntrans-67.2107.5-179.3550000110.9N2231N2231-T2233 PolarHBondContact OD1-OG1 3.46Å
2234G63.5Low65.4Low85 Ų8574.2 Ų74.288%0.87642%0.421SS*.THydrogen-bonded Turntrans105.15.217900000115.7T2232T2232-G2234 PolarHBondContact O-N 3.12Å
2235M68.4Low66.3Low59 Ų5971.3 Ų71.329%0.29141%0.405SS..  trans-84143.5174.2-77.6178.6-179.600111.8T2232 D2239 E2240 A2243T2232-M2235 HydrophobicContact CG2-SD 4.43Å; T2232-M2235 PolarHBondContact O-N 2.68Å; M2235-D2239 HydrophobicContact CB-CB 3.99Å; M2235-D2239 HydrophobicContact CG-CB 4.2Å; M2235-E2240 HydrophobicContact CB-CG 4.15Å; M2235-A2243 HydrophobicContact SD-CB 4.27Å
2236E68.4Low67.3Low140 Ų14070 Ų7065%0.65440%0.398SS*.  trans-69.3156.8168.6-72.9-167.4152.100110.4S2238 D2239 E2240E2236-S2238 PolarHBondContact O-N 3.49Å; E2236-D2239 CarbonylContact O-C 3.6Å; E2236-D2239 WeakPolarHBondContact O-CA 3.31Å; E2236-D2239 WeakPolarHBondContact O-CB 3.4Å; E2236-D2239 PolarHBondContact O-N 2.88Å; E2236-E2240 PolarHBondContact O-N 2.85Å
2237K65.8Low68.8Low183 Ų18368.5 Ų68.580%0.79638%0.38SS*.Hα-helixtrans-53.7-30.3-179.8-78.5-178.6177.2175.60114.1D2239K2237-D2239 VanDerWaalsContact C-N 3.32Å
2238S65.3Low70.2Confident59 Ų5963.5 Ų63.541%0.41335%0.353SS..Hα-helixtrans-69-31.9173.744.70000112.8E2236 R2242E2236-S2238 PolarHBondContact O-N 3.49Å; S2238-R2242 WeakPolarHBondContact O-CG 3.5Å
2239D68.6Low71.8Confident48 Ų4859.8 Ų59.826%0.25733%0.328SS..Hα-helixtrans-87.7-31.1-178.6-59.1-27.9000111.3M2235 E2236 K2237 A2241 R2242 A2243M2235-D2239 HydrophobicContact CB-CB 3.99Å; M2235-D2239 HydrophobicContact CG-CB 4.2Å; E2236-D2239 CarbonylContact O-C 3.6Å; E2236-D2239 WeakPolarHBondContact O-CA 3.31Å; E2236-D2239 WeakPolarHBondContact O-CB 3.4Å; E2236-D2239 PolarHBondContact O-N 2.88Å; K2237-D2239 VanDerWaalsContact C-N 3.32Å; D2239-A2241 VanDerWaalsContact C-N 3.26Å; D2239-A2241 PolarHBondContact O-N 2.73Å; D2239-R2242 CarbonylContact O-C 3.55Å; D2239-R2242 WeakPolarHBondContact O-CA 3.05Å; D2239-R2242 WeakPolarHBondContact O-CB 3.49Å; D2239-R2242 PolarHBondContact O-N 3.45Å; D2239-R2242 IonicContact OD1-NH1 3.71Å; D2239-R2242 PolarHBondContact OD1-NH1 2.9Å; D2239-A2243 PolarHBondContact O-N 3.25Å; D2239-A2243 VanDerWaalsContact O-N 3.09Å
2240E70.8Confident73.1Confident83 Ų8353.7 Ų53.739%0.38831%0.305SS..Hα-helixtrans-56.4-41.3169.9-72.1-176.9162.300111.6I2223 M2235 E2236 R2242 A2243I2223-E2240 VanDerWaalsContact CD1-O 3.31Å; I2223-E2240 WeakPolarHBondContact CD1-O 2.94Å; M2235-E2240 HydrophobicContact CB-CG 4.15Å; E2236-E2240 PolarHBondContact O-N 2.85Å; E2240-R2242 PolarHBondContact O-N 2.92Å; E2240-A2243 WeakPolarHBondContact O-CB 3.37Å; E2240-A2243 PolarHBondContact O-N 3.31Å
2241A69.2Low74Confident50 Ų5056 Ų5641%0.41332%0.317SS..THydrogen-bonded Turntrans-66.8-20.3177.200000113.5D2239 W2244D2239-A2241 VanDerWaalsContact C-N 3.26Å; D2239-A2241 PolarHBondContact O-N 2.73Å; A2241-W2244 PolarHBondContact O-NE1 3.25Å
2242R74Confident74.9Confident59 Ų5952.1 Ų52.122%0.22330%0.297CS..THydrogen-bonded Turntrans-98.2-4.7178.9-63171.6178.8162.7-10.9113L2169 S2238 D2239 E2240 W2244 F2245L2169-R2242 PolarHBondContact O-NH2 2.94Å; L2169-R2242 VanDerWaalsContact O-NH2 3.13Å; S2238-R2242 WeakPolarHBondContact O-CG 3.5Å; D2239-R2242 CarbonylContact O-C 3.55Å; D2239-R2242 WeakPolarHBondContact O-CA 3.05Å; D2239-R2242 WeakPolarHBondContact O-CB 3.49Å; D2239-R2242 PolarHBondContact O-N 3.45Å; D2239-R2242 IonicContact OD1-NH1 3.71Å; D2239-R2242 PolarHBondContact OD1-NH1 2.9Å; E2240-R2242 PolarHBondContact O-N 2.92Å; R2242-W2244 PolarHBondContact O-N 3.42Å; R2242-F2245 HydrophobicContact CB-CD2 4.08Å; R2242-F2245 HydrophobicContact CB-CE2 4.24Å; R2242-F2245 HydrophobicContact CB-CG 4.3Å; R2242-F2245 HydrophobicContact CG-CD2 4.15Å; R2242-F2245 HydrophobicContact CG-CE2 3.84Å; R2242-F2245 HydrophobicContact CG-CZ 4.19Å; R2242-F2245 VanDerWaalsContact O-CB 3.26Å; R2242-F2245 WeakPolarHBondContact O-CB 3.28Å; R2242-F2245 WeakPolarHBondContact O-CG 3.01Å; R2242-F2245 PolarHBondContact O-N 3.38Å
2243A74.1Confident75.5Confident0 Ų054.3 Ų54.30%031%0.305CS..THydrogen-bonded Turntrans-60.9-23-171.900000114.7I2223 I2230 T2232 M2235 D2239 E2240I2223-A2243 HydrophobicContact CG1-CB 4.39Å; I2230-A2243 HydrophobicContact CG2-CB 4.04Å; I2230-A2243 WeakPolarHBondContact CG2-O 3.38Å; T2232-A2243 HydrophobicContact CG2-CB 3.8Å; M2235-A2243 HydrophobicContact SD-CB 4.27Å; D2239-A2243 PolarHBondContact O-N 3.25Å; D2239-A2243 VanDerWaalsContact O-N 3.09Å; E2240-A2243 WeakPolarHBondContact O-CB 3.37Å; E2240-A2243 PolarHBondContact O-N 3.31Å
2244W81.1Confident76.2Confident8 Ų854.3 Ų54.33%0.0330%0.296CS..THydrogen-bonded Turntrans-101.311.7178.861.7-76.2000113.3P2201 F2203 L2214 I2222 A2241 R2242P2201-W2244 HydrophobicContact CB-CH2 4.32Å; P2201-W2244 HydrophobicContact CB-CZ3 4.5Å; F2203-W2244 HydrophobicContact CB-CH2 4.25Å; F2203-W2244 HydrophobicContact CB-CZ3 3.85Å; F2203-W2244 HydrophobicContact CD2-CE3 4.36Å; F2203-W2244 AromaticContact CD2-CZ3 3.96Å; F2203-W2244 HydrophobicContact CD2-CZ3 3.96Å; F2203-W2244 HydrophobicContact CG-CZ3 4.41Å; F2203-W2244 WeakPolarHBondContact O-CH2 3.29Å; L2214-W2244 HydrophobicContact CB-CZ2 4.3Å; L2214-W2244 HydrophobicContact CD2-CH2 3.95Å; L2214-W2244 HydrophobicContact CD2-CZ2 3.99Å; I2222-W2244 HydrophobicContact CB-CB 4.39Å; I2222-W2244 HydrophobicContact CD1-CB 4.5Å; I2222-W2244 HydrophobicContact CD1-CE3 4.32Å; I2222-W2244 HydrophobicContact CG2-CB 3.87Å; A2241-W2244 PolarHBondContact O-NE1 3.25Å; R2242-W2244 PolarHBondContact O-N 3.42Å
2245F84.9Confident76.5Confident3 Ų351.9 Ų51.91%0.01327%0.272CS..EExtended strand (participates in β ladder)trans-79.8150.8175-7114.6000110.5W2168 Q2198 I2200 P2201 L2214 R2242W2168-F2245 AromaticContact CD1-CE2 3.99Å; W2168-F2245 HydrophobicContact CG-CE2 4.5Å; Q2198-F2245 HydrophobicContact CB-CB 4.3Å; I2200-F2245 CarbonylContact O-C 3.57Å; I2200-F2245 WeakPolarHBondContact O-CA 3.3Å; I2200-F2245 WeakPolarHBondContact O-CB 3.36Å; P2201-F2245 HydrophobicContact CB-CD1 3.95Å; P2201-F2245 HydrophobicContact CB-CE1 3.76Å; P2201-F2245 HydrophobicContact CB-CE2 4.45Å; P2201-F2245 HydrophobicContact CB-CG 4.4Å; P2201-F2245 HydrophobicContact CB-CZ 4.02Å; P2201-F2245 HydrophobicContact CG-CZ 4.47Å; L2214-F2245 HydrophobicContact CD1-CE1 4.37Å; L2214-F2245 HydrophobicContact CD1-CZ 4.03Å; L2214-F2245 HydrophobicContact CD2-CE1 4.23Å; L2214-F2245 HydrophobicContact CD2-CZ 4.24Å; R2242-F2245 HydrophobicContact CB-CD2 4.08Å; R2242-F2245 HydrophobicContact CB-CE2 4.24Å; R2242-F2245 HydrophobicContact CB-CG 4.3Å; R2242-F2245 HydrophobicContact CG-CD2 4.15Å; R2242-F2245 HydrophobicContact CG-CE2 3.84Å; R2242-F2245 HydrophobicContact CG-CZ 4.19Å; R2242-F2245 VanDerWaalsContact O-CB 3.26Å; R2242-F2245 WeakPolarHBondContact O-CB 3.28Å; R2242-F2245 WeakPolarHBondContact O-CG 3.01Å; R2242-F2245 PolarHBondContact O-N 3.38Å
2246D81.6Confident76.6Confident1 Ų159.4 Ų59.41%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-74148.7176.8-64.6-7000111S2199 I2200 E2268 H2269S2199-D2246 PolarHBondContact N-O 3.48Å; I2200-D2246 HydrophobicContact CG2-CB 3.72Å; I2200-D2246 PolarHBondContact N-O 3.09Å; I2200-D2246 PolarHBondContact O-N 2.93Å; D2246-E2268 WeakPolarHBondContact CA-O 3.28Å; D2246-H2269 IonicContact OD1-CE1 3.99Å; D2246-H2269 IonicContact OD1-CG 3.22Å; D2246-H2269 IonicContact OD1-ND1 2.9Å; D2246-H2269 PolarHBondContact OD1-ND1 2.77Å; D2246-H2269 IonicContact OD2-CE1 3.22Å; D2246-H2269 PolarHBondContact OD2-CE1 3.31Å; D2246-H2269 VanDerWaalsContact OD2-CE1 3.23Å; D2246-H2269 IonicContact OD2-ND1 3.28Å; D2246-H2269 PolarHBondContact OD2-ND1 3.32Å; D2246-H2269 VanDerWaalsContact OD2-ND1 3.11Å
2247S85.2Confident76.5Confident23 Ų2355 Ų5516%0.16129%0.287CS..EExtended strand (participates in β ladder)trans-87.9132.4172.7-59.30000109.5S2267 E2268S2247-S2267 CarbonylContact O-C 3.59Å; S2247-S2267 WeakPolarHBondContact O-CA 3.47Å; S2247-E2268 PolarHBondContact N-O 3.27Å; S2247-E2268 PolarHBondContact O-N 2.95Å
2248L86.5Confident76.5Confident0 Ų053.9 Ų53.90%029%0.285CS..EExtended strand (participates in β ladder)trans-105132.3-174.5-158.8142.6000109.8I2041 I2196 S2199 I2200 L2250 A2265I2041-L2248 HydrophobicContact CD1-CD1 3.49Å; I2041-L2248 VanDerWaalsContact CD1-CD1 3.49Å; I2041-L2248 HydrophobicContact CD1-CD2 3.93Å; I2041-L2248 HydrophobicContact CD1-CG 4.35Å; I2196-L2248 PolarHBondContact N-O 3.13Å; I2196-L2248 PolarHBondContact O-N 3.3Å; S2199-L2248 WeakPolarHBondContact OG-CB 3.28Å; S2199-L2248 PolarHBondContact OG-N 2.73Å; I2200-L2248 HydrophobicContact CG2-CD1 4.41Å; L2248-L2250 HydrophobicContact CD2-CD1 4.32Å; L2248-L2250 HydrophobicContact CD2-CD2 3.42Å; L2248-L2250 VanDerWaalsContact CD2-CD2 3.42Å; L2248-L2250 HydrophobicContact CD2-CG 3.54Å; L2248-A2265 HydrophobicContact CD2-CB 4.24Å
2249T86.7Confident76.5Confident34 Ų3457.8 Ų57.821%0.20930%0.301CS..EExtended strand (participates in β ladder)trans-114.2118.6179.642.40000108.7I2194 L2195 A2265 T2266I2194-T2249 CarbonylContact O-C 3.5Å; I2194-T2249 VanDerWaalsContact O-CA 3.29Å; I2194-T2249 WeakPolarHBondContact O-CA 3.49Å; L2195-T2249 HydrophobicContact CB-CG2 4.47Å; L2195-T2249 HydrophobicContact CD1-CG2 3.41Å; L2195-T2249 VanDerWaalsContact CD1-CG2 3.41Å; T2249-A2265 WeakPolarHBondContact O-CA 3.3Å; T2249-T2266 PolarHBondContact N-O 3.18Å; T2249-T2266 PolarHBondContact O-N 3.29Å; T2249-T2266 WeakPolarHBondContact OG1-CB 3.23Å; T2249-T2266 PolarHBondContact OG1-O 2.96Å; T2249-T2266 PolarHBondContact OG1-OG1 3.21Å
2250L84.8Confident76.7Confident1 Ų158.7 Ų58.71%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-107.1131.3177.9-60.8169.4000111.1I2041 L2049 F2144 P2193 I2194 I2196 L2248 W2263 I2264 A2265I2041-L2250 HydrophobicContact CG2-CD1 4.44Å; L2049-L2250 HydrophobicContact CD1-CD1 3.93Å; F2144-L2250 HydrophobicContact CE2-CD1 3.87Å; F2144-L2250 HydrophobicContact CZ-CD1 3.8Å; P2193-L2250 WeakPolarHBondContact CA-O 3.39Å; I2194-L2250 HydrophobicContact CB-CB 4.12Å; I2194-L2250 PolarHBondContact N-O 3.45Å; I2194-L2250 PolarHBondContact O-N 3.08Å; I2196-L2250 HydrophobicContact CD1-CD1 4.48Å; L2248-L2250 HydrophobicContact CD2-CD1 4.32Å; L2248-L2250 HydrophobicContact CD2-CD2 3.42Å; L2248-L2250 VanDerWaalsContact CD2-CD2 3.42Å; L2248-L2250 HydrophobicContact CD2-CG 3.54Å; L2250-W2263 HydrophobicContact CB-CE3 3.89Å; L2250-W2263 HydrophobicContact CB-CZ3 4.11Å; L2250-I2264 CarbonylContact C-O 3.58Å; L2250-I2264 VanDerWaalsContact CA-O 3.24Å; L2250-I2264 WeakPolarHBondContact CA-O 3.23Å; L2250-A2265 HydrophobicContact CD2-CB 3.83Å
2251N85.1Confident77Confident73 Ų7355.7 Ų55.739%0.3929%0.29SS..EExtended strand (participates in β ladder)trans-121.8138.7173.2-106.5-12.9000110.8P2193 W2263 I2264P2193-N2251 VanDerWaalsContact CA-OD1 3.26Å; P2193-N2251 WeakPolarHBondContact CA-OD1 3.38Å; P2193-N2251 WeakPolarHBondContact CB-OD1 3.47Å; N2251-W2263 CarbonylContact O-C 3.54Å; N2251-W2263 WeakPolarHBondContact O-CA 3.32Å; N2251-I2264 HydrophobicContact CB-CB 4.27Å; N2251-I2264 HydrophobicContact CB-CD1 4.37Å; N2251-I2264 PolarHBondContact N-O 3Å; N2251-I2264 PolarHBondContact O-N 2.81Å
2252L83.3Confident77.7Confident38 Ų3854.8 Ų54.820%0.19928%0.277CS..EExtended strand (participates in β ladder)trans-95.9115.1175.5-174.568.9000109.6A2185 K2261 W2263A2185-L2252 WeakPolarHBondContact O-CD2 3.37Å; L2252-K2261 HydrophobicContact CD1-CB 4.05Å; L2252-W2263 HydrophobicContact CB-CE3 4.19Å; L2252-W2263 HydrophobicContact CB-CH2 4.21Å; L2252-W2263 HydrophobicContact CB-CZ3 4Å; L2252-W2263 HydrophobicContact CD1-CD2 3.96Å; L2252-W2263 HydrophobicContact CD1-CE3 4.4Å; L2252-W2263 HydrophobicContact CD1-CG 4.38Å; L2252-W2263 HydrophobicContact CD1-CH2 4.41Å; L2252-W2263 HydrophobicContact CD1-CZ2 3.95Å
2253E78.2Confident78.3Confident77 Ų7752 Ų5236%0.3627%0.267SS..EExtended strand (participates in β ladder)trans-103.1138.8168.8-87.8-175169.500110.7M2262 I2264 R2289E2253-M2262 HydrophobicContact CB-CG 3.8Å; E2253-M2262 HydrophobicContact CB-SD 4.39Å; E2253-M2262 PolarHBondContact N-O 3.37Å; E2253-M2262 PolarHBondContact O-N 2.99Å; E2253-I2264 HydrophobicContact CB-CD1 3.81Å; E2253-I2264 HydrophobicContact CG-CD1 3.45Å; E2253-I2264 VanDerWaalsContact CG-CD1 3.45Å; E2253-I2264 VanDerWaalsContact OE2-CD1 3.26Å; E2253-I2264 WeakPolarHBondContact OE2-CD1 3.44Å; E2253-R2289 IonicContact OE1-CZ 3.9Å; E2253-R2289 IonicContact OE1-NH1 3.02Å; E2253-R2289 IonicContact OE1-NH2 3.53Å; E2253-R2289 PolarHBondContact OE1-NH2 3.31Å; E2253-R2289 IonicContact OE2-CZ 2.95Å; E2253-R2289 IonicContact OE2-NH1 3.35Å; E2253-R2289 PolarHBondContact OE2-NH1 3.04Å; E2253-R2289 VanDerWaalsContact OE2-NH1 3.11Å; E2253-R2289 IonicContact OE2-NH2 2.91Å; E2253-R2289 PolarHBondContact OE2-NH2 3.41Å
2254Q74.1Confident78.9Confident116 Ų11652.3 Ų52.354%0.54227%0.268SS..EExtended strand (participates in β ladder)trans-105.2124.3-179.1-154.217011.900109.2
2255G70.4Confident79.1Confident35 Ų3551.9 Ų51.936%0.36127%0.267SS..  trans-74.8-165.1179.400000113.2S2257 E2260G2255-S2257 VanDerWaalsContact C-N 3.27Å; G2255-S2257 PolarHBondContact O-N 3.03Å; G2255-E2260 PolarHBondContact N-O 2.97Å
2256K71.5Confident79.1Confident216 Ų21653.5 Ų53.594%0.93928%0.277SS*.SBendtrans-71-28.3-178.1-69.8-180-179.21750111.6E2260K2256-E2260 PolarHBondContact N-OE2 3.44Å
2257S65.6Low79.1Confident47 Ų4755.2 Ų55.233%0.32929%0.289SS..SBendtrans-98.3144.8176.2-174.60000111.7G2255 N2259 E2260G2255-S2257 VanDerWaalsContact C-N 3.27Å; G2255-S2257 PolarHBondContact O-N 3.03Å; S2257-N2259 PolarHBondContact O-N 3.05Å; S2257-E2260 VanDerWaalsContact CB-CD 3.47Å; S2257-E2260 PolarHBondContact N-OE2 2.97Å; S2257-E2260 PolarHBondContact O-N 3.29Å
2258Q65.6Low78.8Confident161 Ų16158.4 Ų58.475%0.75230%0.301SS*.THydrogen-bonded Turntrans-56.9-20.9173.1-75.6-170.9-7.800113.1
2259N65.8Low78.4Confident140 Ų14060.4 Ų60.475%0.74931%0.31SS*.THydrogen-bonded Turntrans-91.6-10.9179-65.8-13.8000113.6S2257 K2261S2257-N2259 PolarHBondContact O-N 3.05Å; N2259-K2261 PolarHBondContact O-N 2.86Å
2260E71.9Confident77.6Confident67 Ų6759.9 Ų59.931%0.31331%0.307SS..  trans-90.594.6178.7-73.5162.7-166.700109.2Y2121 G2255 K2256 S2257Y2121-E2260 HydrophobicContact CD1-CB 4.45Å; Y2121-E2260 HydrophobicContact CE1-CB 4.29Å; G2255-E2260 PolarHBondContact N-O 2.97Å; K2256-E2260 PolarHBondContact N-OE2 3.44Å; S2257-E2260 VanDerWaalsContact CB-CD 3.47Å; S2257-E2260 PolarHBondContact N-OE2 2.97Å; S2257-E2260 PolarHBondContact O-N 3.29Å
2261K77.6Confident76.9Confident21 Ų2162 Ų629%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-117.6124.2175.3-70.9174.6-168.71580109W2122 R2129 L2252 N2259W2122-K2261 HydrophobicContact CE3-CB 4.45Å; W2122-K2261 HydrophobicContact CE3-CD 4.34Å; W2122-K2261 PolarHBondContact N-O 3.25Å; R2129-K2261 VanDerWaalsContact CZ-NZ 3.32Å; L2252-K2261 HydrophobicContact CD1-CB 4.05Å; N2259-K2261 PolarHBondContact O-N 2.86Å
2262M83.9Confident76Confident31 Ų3163.4 Ų63.415%0.15334%0.338CS..EExtended strand (participates in β ladder)trans-121.3139.6179.262.8-178.1-71.700110.3E2117 Y2121 E2253 I2264E2117-M2262 HydrophobicContact CB-CE 3.65Å; E2117-M2262 HydrophobicContact CG-CE 3.59Å; Y2121-M2262 HydrophobicContact CD1-CB 4.18Å; Y2121-M2262 HydrophobicContact CE1-CB 4.36Å; E2253-M2262 HydrophobicContact CB-CG 3.8Å; E2253-M2262 HydrophobicContact CB-SD 4.39Å; E2253-M2262 PolarHBondContact N-O 3.37Å; E2253-M2262 PolarHBondContact O-N 2.99Å; M2262-I2264 HydrophobicContact CE-CG1 4.44Å
2263W86.5Confident74.7Confident1 Ų168.3 Ų68.30%0.00436%0.359CS..EExtended strand (participates in β ladder)trans-97.2140.9173.1-68.793.4000110.3L2049 S2118 W2122 A2185 L2186 I2194 L2250 N2251 L2252L2049-W2263 HydrophobicContact CB-CD2 4.34Å; L2049-W2263 HydrophobicContact CB-CG 4.12Å; L2049-W2263 HydrophobicContact CD2-CD2 4.45Å; L2049-W2263 HydrophobicContact CD2-CZ2 3.77Å; L2049-W2263 VanDerWaalsContact O-CB 3.29Å; L2049-W2263 WeakPolarHBondContact O-CB 3.43Å; S2118-W2263 WeakPolarHBondContact CB-O 3.32Å; S2118-W2263 PolarHBondContact N-O 3.38Å; W2122-W2263 AromaticContact CD2-NE1 3.42Å; W2122-W2263 AromaticContact CE2-NE1 3.87Å; W2122-W2263 AromaticContact CE3-NE1 3.64Å; W2122-W2263 AromaticContact CG-CD1 3.9Å; W2122-W2263 AromaticContact CG-NE1 3.56Å; W2122-W2263 HydrophobicContact CH2-CZ2 4.5Å; W2122-W2263 HydrophobicContact CZ3-CZ2 4.4Å; A2185-W2263 HydrophobicContact CB-CH2 4.48Å; L2186-W2263 HydrophobicContact CD2-CH2 4.46Å; L2186-W2263 HydrophobicContact CD2-CZ2 4.09Å; I2194-W2263 HydrophobicContact CD1-CH2 3.6Å; I2194-W2263 HydrophobicContact CD1-CZ3 3.52Å; I2194-W2263 HydrophobicContact CG1-CZ3 4.42Å; L2250-W2263 HydrophobicContact CB-CE3 3.89Å; L2250-W2263 HydrophobicContact CB-CZ3 4.11Å; N2251-W2263 CarbonylContact O-C 3.54Å; N2251-W2263 WeakPolarHBondContact O-CA 3.32Å; L2252-W2263 HydrophobicContact CB-CE3 4.19Å; L2252-W2263 HydrophobicContact CB-CH2 4.21Å; L2252-W2263 HydrophobicContact CB-CZ3 4Å; L2252-W2263 HydrophobicContact CD1-CD2 3.96Å; L2252-W2263 HydrophobicContact CD1-CE3 4.4Å; L2252-W2263 HydrophobicContact CD1-CG 4.38Å; L2252-W2263 HydrophobicContact CD1-CH2 4.41Å; L2252-W2263 HydrophobicContact CD1-CZ2 3.95Å
2264I86.5Confident73.6Confident5 Ų571.1 Ų71.13%0.02638%0.377CS..EExtended strand (participates in β ladder)trans-113125.7175.2-62.5137.8000107.5P2116 E2117 L2250 N2251 E2253 M2262P2116-I2264 HydrophobicContact CB-CG2 4.44Å; P2116-I2264 CarbonylContact O-C 3.35Å; P2116-I2264 WeakPolarHBondContact O-CA 3.33Å; E2117-I2264 HydrophobicContact CG-CG1 4.43Å; L2250-I2264 CarbonylContact C-O 3.58Å; L2250-I2264 VanDerWaalsContact CA-O 3.24Å; L2250-I2264 WeakPolarHBondContact CA-O 3.23Å; N2251-I2264 HydrophobicContact CB-CB 4.27Å; N2251-I2264 HydrophobicContact CB-CD1 4.37Å; N2251-I2264 PolarHBondContact N-O 3Å; N2251-I2264 PolarHBondContact O-N 2.81Å; E2253-I2264 HydrophobicContact CB-CD1 3.81Å; E2253-I2264 HydrophobicContact CG-CD1 3.45Å; E2253-I2264 VanDerWaalsContact CG-CD1 3.45Å; E2253-I2264 VanDerWaalsContact OE2-CD1 3.26Å; E2253-I2264 WeakPolarHBondContact OE2-CD1 3.44Å; M2262-I2264 HydrophobicContact CE-CG1 4.44Å
2265A86.1Confident73.1Confident0 Ų066.4 Ų66.40%036%0.358CS..EExtended strand (participates in β ladder)trans-111.6127.6179.100000110.6I2041 Y2050 P2116 L2248 T2249 L2250I2041-A2265 HydrophobicContact CD1-CB 4.32Å; Y2050-A2265 HydrophobicContact CD1-CB 4.37Å; Y2050-A2265 HydrophobicContact CD2-CB 3.65Å; Y2050-A2265 HydrophobicContact CE1-CB 4.46Å; Y2050-A2265 HydrophobicContact CE2-CB 3.76Å; Y2050-A2265 HydrophobicContact CG-CB 3.97Å; P2116-A2265 PolarHBondContact O-N 2.86Å; L2248-A2265 HydrophobicContact CD2-CB 4.24Å; T2249-A2265 WeakPolarHBondContact O-CA 3.3Å; L2250-A2265 HydrophobicContact CD2-CB 3.83Å
2266T83.7Confident72.8Confident37 Ų3772.7 Ų72.723%0.22738%0.375CS..EExtended strand (participates in β ladder)trans-127.9141.1172.637.30000110.1T2249 P2290T2249-T2266 PolarHBondContact N-O 3.18Å; T2249-T2266 PolarHBondContact O-N 3.29Å; T2249-T2266 WeakPolarHBondContact OG1-CB 3.23Å; T2249-T2266 PolarHBondContact OG1-O 2.96Å; T2249-T2266 PolarHBondContact OG1-OG1 3.21Å; T2266-P2290 HydrophobicContact CG2-CG 4.39Å
2267S81.2Confident72.7Confident36 Ų3663.1 Ų63.125%0.25233%0.334SS..EExtended strand (participates in β ladder)trans-105.9150176.260.60000112.9S2247 L2292S2247-S2267 CarbonylContact O-C 3.59Å; S2247-S2267 WeakPolarHBondContact O-CA 3.47Å; S2267-L2292 VanDerWaalsContact OG-CD1 3.28Å; S2267-L2292 WeakPolarHBondContact OG-CD1 3.38Å
2268E78.8Confident73.2Confident91 Ų9162 Ų6243%0.42532%0.323SS..EExtended strand (participates in β ladder)trans-131123.6173.9-173.7170-158.700110.1D2246 S2247 Q2273D2246-E2268 WeakPolarHBondContact CA-O 3.28Å; S2247-E2268 PolarHBondContact N-O 3.27Å; S2247-E2268 PolarHBondContact O-N 2.95Å; E2268-Q2273 PolarHBondContact OE1-NE2 2.61Å
2269H78.3Confident73.6Confident41 Ų4155 Ų5519%0.1929%0.29CS..  trans-66.3144.3176.8-66.5-51.7000111.4D2246 G2271 W2278D2246-H2269 IonicContact OD1-CE1 3.99Å; D2246-H2269 IonicContact OD1-CG 3.22Å; D2246-H2269 IonicContact OD1-ND1 2.9Å; D2246-H2269 PolarHBondContact OD1-ND1 2.77Å; D2246-H2269 IonicContact OD2-CE1 3.22Å; D2246-H2269 PolarHBondContact OD2-CE1 3.31Å; D2246-H2269 VanDerWaalsContact OD2-CE1 3.23Å; D2246-H2269 IonicContact OD2-ND1 3.28Å; D2246-H2269 PolarHBondContact OD2-ND1 3.32Å; D2246-H2269 VanDerWaalsContact OD2-ND1 3.11Å; H2269-G2271 PolarHBondContact O-N 3.48Å; H2269-W2278 HydrophobicContact CB-CD2 4.06Å; H2269-W2278 HydrophobicContact CB-CG 4.24Å; H2269-W2278 HydrophobicContact CB-CZ2 4.39Å; H2269-W2278 AromaticContact CD2-CG 3.98Å; H2269-W2278 AromaticContact CG-CD2 3.87Å; H2269-W2278 AromaticContact ND1-CE3 3.78Å
2270P71.7Confident73.5Confident23 Ų2357 Ų5715%0.14929%0.292CS..SBendtrans-71.7122.2176.426.8-31000111.5I2230 W2278I2230-P2270 HydrophobicContact CD1-CB 4.29Å; I2230-P2270 HydrophobicContact CD1-CG 4.22Å; I2230-P2270 HydrophobicContact CG1-CB 4.48Å; P2270-W2278 HydrophobicContact CG-CH2 4.19Å; P2270-W2278 HydrophobicContact CG-CZ2 3.99Å
2271G69.1Low73Confident47 Ų4756.8 Ų56.849%0.48530%0.296SS..SBendtrans107.2-150.6175.100000114.4H2269 Q2273H2269-G2271 PolarHBondContact O-N 3.48Å; G2271-Q2273 PolarHBondContact O-N 3.35Å
2272D65.3Low72Confident102 Ų10257.8 Ų57.855%0.54531%0.308SS..  trans-76.4119.2-178.4-173-1.5000111.2N2274 A2275D2272-N2274 PolarHBondContact O-N 2.91Å; D2272-N2274 PolarHBondContact OD1-N 2.9Å; D2272-N2274 VanDerWaalsContact OD1-N 3.15Å; D2272-A2275 WeakPolarHBondContact O-CB 3.21Å; D2272-A2275 PolarHBondContact O-N 2.84Å
2273Q57.6Low70.7Confident140 Ų14064.4 Ų64.465%0.65434%0.344SS*.THydrogen-bonded Turntrans-58.2-19179.1-65.5-1770.100113E2268 G2271E2268-Q2273 PolarHBondContact OE1-NE2 2.61Å; G2271-Q2273 PolarHBondContact O-N 3.35Å
2274N55.1Low69.3Low137 Ų13767.5 Ų67.573%0.73336%0.363SS*.THydrogen-bonded Turntrans-90.63.1179.4-66.4-48.1000114.5D2272 K2276D2272-N2274 PolarHBondContact O-N 2.91Å; D2272-N2274 PolarHBondContact OD1-N 2.9Å; D2272-N2274 VanDerWaalsContact OD1-N 3.15Å; N2274-K2276 PolarHBondContact O-N 2.97Å
2275A62.1Low68.3Low17 Ų1771.4 Ų71.414%0.1439%0.388CS..  trans-69.1126.2-178.800000112D2272 L2277 W2278D2272-A2275 WeakPolarHBondContact O-CB 3.21Å; D2272-A2275 PolarHBondContact O-N 2.84Å; A2275-L2277 PolarHBondContact O-N 3.47Å; A2275-W2278 PolarHBondContact O-N 3.06Å
2276K65.5Low67.4Low166 Ų16675.1 Ų75.172%0.72240%0.402SS*.THydrogen-bonded Turntrans-59.4-5.4177.1-66.4-177.2179.5-179.50115A2078 N2274A2078-K2276 HydrophobicContact CB-CB 4.34Å; A2078-K2276 WeakPolarHBondContact CB-O 3.25Å; N2274-K2276 PolarHBondContact O-N 2.97Å
2277L69.9Low66.7Low15 Ų1577.4 Ų77.48%0.07942%0.42CS..THydrogen-bonded Turntrans-78.5-29.8-178.4-162.873.3000112.4A2078 L2079 I2222 A2275A2078-L2277 HydrophobicContact CB-CD1 4.38Å; L2079-L2277 HydrophobicContact CD2-CD1 4.1Å; I2222-L2277 HydrophobicContact CB-CD2 4.34Å; I2222-L2277 HydrophobicContact CD1-CD2 4.49Å; I2222-L2277 HydrophobicContact CG1-CD2 3.78Å; I2222-L2277 HydrophobicContact CG1-CG 4.46Å; I2222-L2277 HydrophobicContact CG2-CD2 4.08Å; A2275-L2277 PolarHBondContact O-N 3.47Å
2278W76Confident66.1Low23 Ų2378.9 Ų78.99%0.08744%0.44CS..SBendtrans-93.6141.2179.1-53.7116.6000110.3A2202 F2203 I2222 H2269 P2270 A2275 K2280A2202-W2278 HydrophobicContact CB-CE3 4.36Å; A2202-W2278 HydrophobicContact CB-CZ3 3.79Å; F2203-W2278 HydrophobicContact CE2-CE3 4.28Å; F2203-W2278 HydrophobicContact CE2-CZ3 4.05Å; I2222-W2278 HydrophobicContact CD1-CH2 4.4Å; I2222-W2278 HydrophobicContact CG2-CH2 4.45Å; I2222-W2278 HydrophobicContact CG2-CZ2 4.48Å; H2269-W2278 HydrophobicContact CB-CD2 4.06Å; H2269-W2278 HydrophobicContact CB-CG 4.24Å; H2269-W2278 HydrophobicContact CB-CZ2 4.39Å; H2269-W2278 AromaticContact CD2-CG 3.98Å; H2269-W2278 AromaticContact CG-CD2 3.87Å; H2269-W2278 AromaticContact ND1-CE3 3.78Å; P2270-W2278 HydrophobicContact CG-CH2 4.19Å; P2270-W2278 HydrophobicContact CG-CZ2 3.99Å; A2275-W2278 PolarHBondContact O-N 3.06Å; W2278-K2280 PolarHBondContact O-N 3.14Å
2279I72.5Confident65.9Low15 Ų1577.6 Ų77.68%0.07743%0.432CS..  trans-76.4111.1177.9-67.4163.6000108.4I2067 F2203 T2281 Q2293 V2295I2067-I2279 HydrophobicContact CD1-CD1 4.11Å; F2203-I2279 HydrophobicContact CE1-CD1 4.44Å; I2279-T2281 PolarHBondContact O-N 2.8Å; I2279-Q2293 PolarHBondContact O-NE2 2.82Å; I2279-V2295 HydrophobicContact CD1-CG1 4.36Å; I2279-V2295 HydrophobicContact CD1-CG2 3.7Å
2280K65Low65.8Low181 Ų18178.9 Ų78.979%0.78744%0.443SS*.PPolyproline II helixtrans-50.5122.4-179.7-68.9-174.7177.6-174.40111.7W2278 A2282W2278-K2280 PolarHBondContact O-N 3.14Å; K2280-A2282 PolarHBondContact O-N 2.7Å
2281T60.8Low66.2Low64 Ų6479.6 Ų79.639%0.39344%0.443SS..PPolyproline II helixtrans-57.2122.9172.2-39.30000109.2I2279I2279-T2281 PolarHBondContact O-N 2.8Å
2282A57Low66.9Low42 Ų4277.4 Ų77.435%0.34742%0.42SS..PPolyproline II helixtrans-62153.8-179.300000111.3K2280 T2284K2280-A2282 PolarHBondContact O-N 2.7Å; A2282-T2284 PolarHBondContact O-N 2.61Å
2283N56.7Low67.8Low170 Ų17073.2 Ų73.291%0.90940%0.398SS*.SBendtrans-57.1-1.4177.9-81.12.7000115T2285N2283-T2285 PolarHBondContact O-N 3.01Å; N2283-T2285 VanDerWaalsContact O-N 3.12Å
2284T57.2Low69.2Low66 Ų6666.6 Ų66.641%0.40537%0.367SS..  trans-72.3100174.451.80000109.2A2282 Y2291A2282-T2284 PolarHBondContact O-N 2.61Å; T2284-Y2291 VanDerWaalsContact O-CD2 3.23Å; T2284-Y2291 WeakPolarHBondContact O-CD2 3.28Å; T2284-Y2291 WeakPolarHBondContact O-CE2 3.49Å
2285T65.5Low70.8Confident87 Ų8760.3 Ų60.353%0.53433%0.334SS..EExtended strand (participates in β ladder)trans-94.5143.8168540000109.1N2283 R2289N2283-T2285 PolarHBondContact O-N 3.01Å; N2283-T2285 VanDerWaalsContact O-N 3.12Å; T2285-R2289 WeakPolarHBondContact CA-O 3.25Å
2286Y67.7Low72Confident77 Ų7759.5 Ų59.530%0.30233%0.327SS..EExtended strand (participates in β ladder)trans-106121.5169.1-176.3-91.6000106.9P2116 E2117 G2288 R2289P2116-Y2286 HydrophobicContact CG-CD1 4.04Å; E2117-Y2286 HydrophobicContact CG-CE1 4.48Å; Y2286-G2288 PolarHBondContact O-N 3.48Å; Y2286-R2289 PolarHBondContact N-O 2.93Å; Y2286-R2289 PolarHBondContact O-N 3.43Å
2287S67.9Low73.2Confident86 Ų8651.6 Ų51.660%0.60129%0.292SS*.THydrogen-bonded Turntrans56.533.3-177.1-154.60000113.4E2117 R2289E2117-S2287 VanDerWaalsContact OE1-CB 3.28Å; E2117-S2287 WeakPolarHBondContact OE1-CB 3.44Å; E2117-S2287 PolarHBondContact OE1-OG 3.25Å; S2287-R2289 PolarHBondContact O-N 3.18Å
2288G69.8Low74Confident66 Ų6651.1 Ų51.168%0.6829%0.29SS*.THydrogen-bonded Turntrans71.95.9-176.400000115.3Y2286Y2286-G2288 PolarHBondContact O-N 3.48Å
2289R74.2Confident74.3Confident65 Ų6551.7 Ų51.725%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-111.5146.5-179.6-62.5169.4-178.6166.8-6.2110.7P2116 E2117 E2253 T2285 Y2286 S2287P2116-R2289 HydrophobicContact CB-CB 4.05Å; P2116-R2289 HydrophobicContact CG-CB 3.83Å; E2117-R2289 IonicContact OE1-NH1 2.78Å; E2253-R2289 IonicContact OE1-CZ 3.9Å; E2253-R2289 IonicContact OE1-NH1 3.02Å; E2253-R2289 IonicContact OE1-NH2 3.53Å; E2253-R2289 PolarHBondContact OE1-NH2 3.31Å; E2253-R2289 IonicContact OE2-CZ 2.95Å; E2253-R2289 IonicContact OE2-NH1 3.35Å; E2253-R2289 PolarHBondContact OE2-NH1 3.04Å; E2253-R2289 VanDerWaalsContact OE2-NH1 3.11Å; E2253-R2289 IonicContact OE2-NH2 2.91Å; E2253-R2289 PolarHBondContact OE2-NH2 3.41Å; T2285-R2289 WeakPolarHBondContact CA-O 3.25Å; Y2286-R2289 PolarHBondContact N-O 2.93Å; Y2286-R2289 PolarHBondContact O-N 3.43Å; S2287-R2289 PolarHBondContact O-N 3.18Å
2290P75.4Confident74.6Confident67 Ų6755.7 Ų55.744%0.43531%0.309SS..EExtended strand (participates in β ladder)trans-71.4146.2177.329.3-33.7000111.6T2266T2266-P2290 HydrophobicContact CG2-CG 4.39Å
2291Y79.9Confident74.7Confident39 Ų3947.6 Ų47.615%0.15328%0.276CS..PPolyproline II helixtrans-68.7151171.3-75.6-100.8000111.2R2113 F2114 R2115 T2284R2113-Y2291 HydrophobicContact CB-CD1 3.96Å; R2113-Y2291 HydrophobicContact CB-CG 4.28Å; F2114-Y2291 WeakPolarHBondContact O-CD1 3.47Å; R2115-Y2291 HydrophobicContact CB-CE1 4.49Å; R2115-Y2291 HydrophobicContact CG-CE1 3.94Å; T2284-Y2291 VanDerWaalsContact O-CD2 3.23Å; T2284-Y2291 WeakPolarHBondContact O-CD2 3.28Å; T2284-Y2291 WeakPolarHBondContact O-CE2 3.49Å
2292L83.5Confident74.8Confident0 Ų049.8 Ų49.80%028%0.28CS..EExtended strand (participates in β ladder)trans-82.6119.5169.5172.267.7000109L2039 Y2050 R2113 F2114 I2200 S2267L2039-L2292 HydrophobicContact CD2-CD2 3.21Å; L2039-L2292 HydrophobicContact CD2-CG 4.29Å; Y2050-L2292 HydrophobicContact CE1-CD2 4.42Å; R2113-L2292 CarbonylContact C-O 3.57Å; R2113-L2292 WeakPolarHBondContact CA-O 3.28Å; F2114-L2292 HydrophobicContact CB-CB 4.06Å; F2114-L2292 HydrophobicContact CB-CD2 4.24Å; F2114-L2292 HydrophobicContact CB-CG 4.34Å; F2114-L2292 HydrophobicContact CD2-CD2 4.33Å; F2114-L2292 HydrophobicContact CD2-CG 4.2Å; F2114-L2292 PolarHBondContact N-O 3.47Å; F2114-L2292 PolarHBondContact O-N 2.92Å; I2200-L2292 HydrophobicContact CD1-CD1 4.32Å; I2200-L2292 HydrophobicContact CD1-CD2 4.39Å; S2267-L2292 VanDerWaalsContact OG-CD1 3.28Å; S2267-L2292 WeakPolarHBondContact OG-CD1 3.38Å
2293Q83.9Confident75Confident14 Ų1449.9 Ų49.97%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-115.6134.9-167.9-170.6-178.9-74.700112.6I2111 V2112 I2279I2111-Q2293 HydrophobicContact CG2-CG 3.8Å; V2112-Q2293 WeakPolarHBondContact O-CA 3.35Å; I2279-Q2293 PolarHBondContact O-NE2 2.82Å
2294V87.2Confident75Confident2 Ų244.1 Ų44.11%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-133140.2174.8176.10000110V2112 F2114 L2148 I2200 I2204V2112-V2294 HydrophobicContact CB-CB 4.5Å; V2112-V2294 PolarHBondContact N-O 3.28Å; V2112-V2294 PolarHBondContact O-N 3.28Å; F2114-V2294 HydrophobicContact CE2-CB 4.37Å; F2114-V2294 HydrophobicContact CE2-CG2 3.98Å; L2148-V2294 HydrophobicContact CD2-CG1 4.42Å; I2200-V2294 HydrophobicContact CD1-CG2 3.98Å; I2200-V2294 HydrophobicContact CG1-CG2 4.4Å; I2204-V2294 HydrophobicContact CD1-CG1 3.48Å; I2204-V2294 VanDerWaalsContact CD1-CG1 3.48Å; I2204-V2294 HydrophobicContact CG1-CG1 4.02Å
2295V88.4Confident74.9Confident5 Ų545.5 Ų45.53%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-107.3120.2179.6-176.50000110.4I2109 L2110 A2202 F2203 I2204 I2279I2109-V2295 HydrophobicContact CG2-CG1 3.94Å; L2110-V2295 CarbonylContact O-C 3.57Å; L2110-V2295 WeakPolarHBondContact O-CA 3.5Å; A2202-V2295 WeakPolarHBondContact O-CB 3.26Å; A2202-V2295 PolarHBondContact O-N 2.98Å; F2203-V2295 CarbonylContact C-O 3.49Å; F2203-V2295 WeakPolarHBondContact CA-O 3.34Å; F2203-V2295 HydrophobicContact CD1-CB 3.8Å; F2203-V2295 HydrophobicContact CD1-CG1 4.01Å; F2203-V2295 HydrophobicContact CD1-CG2 4.34Å; F2203-V2295 HydrophobicContact CE1-CB 4.19Å; F2203-V2295 HydrophobicContact CE1-CG1 4.28Å; F2203-V2295 HydrophobicContact CE1-CG2 4.28Å; I2204-V2295 PolarHBondContact N-O 3.46Å; I2279-V2295 HydrophobicContact CD1-CG1 4.36Å; I2279-V2295 HydrophobicContact CD1-CG2 3.7Å
2296G88.3Confident74.6Confident0 Ų042.2 Ų42.20%023%0.23CC..EExtended strand (participates in β ladder)trans-107.4126.4-179.300000113.3L2110 I2204L2110-G2296 PolarHBondContact N-O 2.91Å; L2110-G2296 PolarHBondContact O-N 3.21Å; I2204-G2296 CarbonylContact O-C 3.51Å; I2204-G2296 VanDerWaalsContact O-CA 3.29Å; I2204-G2296 WeakPolarHBondContact O-CA 3.41Å
2297F90.6Very high74.2Confident0 Ų040.1 Ų40.10%023%0.228CC..EExtended strand (participates in β ladder)trans-93.9113.7170.2-62.9-87.6000109.6Y2100 L2101 Y2104 I2109 F2203 I2204 Q2205 V2206 P2215 I2218Y2100-F2297 HydrophobicContact CE1-CD1 4.48Å; Y2100-F2297 HydrophobicContact CE1-CG 4.44Å; L2101-F2297 HydrophobicContact CD1-CE1 4.03Å; Y2104-F2297 HydrophobicContact CD1-CB 4.44Å; Y2104-F2297 HydrophobicContact CD2-CD1 4.06Å; Y2104-F2297 HydrophobicContact CE1-CB 4.2Å; Y2104-F2297 HydrophobicContact CE2-CB 4.43Å; Y2104-F2297 HydrophobicContact CE2-CD1 4.48Å; Y2104-F2297 HydrophobicContact CG-CD1 4.19Å; I2109-F2297 HydrophobicContact CD1-CD1 4.27Å; I2109-F2297 HydrophobicContact CD1-CE1 3.99Å; I2109-F2297 HydrophobicContact CG1-CD1 3.85Å; I2109-F2297 HydrophobicContact CG1-CE1 4.02Å; I2109-F2297 HydrophobicContact CG2-CE1 4.48Å; F2203-F2297 HydrophobicContact CB-CE2 4.16Å; F2203-F2297 AromaticContact CD1-CE2 3.89Å; F2203-F2297 HydrophobicContact CD1-CE2 3.89Å; F2203-F2297 HydrophobicContact CD1-CZ 4.23Å; F2203-F2297 HydrophobicContact CG-CE2 4.43Å; I2204-F2297 WeakPolarHBondContact O-CD2 3.38Å; I2204-F2297 PolarHBondContact O-N 3.04Å; Q2205-F2297 CarbonylContact C-O 3.3Å; Q2205-F2297 WeakPolarHBondContact CA-O 3.27Å; Q2205-F2297 HydrophobicContact CB-CB 4.41Å; V2206-F2297 PolarHBondContact N-O 3.31Å; P2215-F2297 HydrophobicContact CG-CD2 4.43Å; P2215-F2297 HydrophobicContact CG-CE2 4.28Å; I2218-F2297 HydrophobicContact CD1-CE1 4.47Å; I2218-F2297 HydrophobicContact CD1-CE2 3.88Å; I2218-F2297 HydrophobicContact CD1-CZ 3.62Å
2298I87Confident73.9Confident4 Ų444.3 Ų44.32%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-99.7119.5-172.5-58.6170000109.9P2034 D2108 L2110 V2206P2034-I2298 HydrophobicContact CG-CD1 4.32Å; D2108-I2298 PolarHBondContact O-N 3.03Å; L2110-I2298 HydrophobicContact CB-CD1 3.89Å; L2110-I2298 HydrophobicContact CD2-CD1 4.33Å; V2206-I2298 HydrophobicContact CG2-CG1 4.46Å
2299D82.5Confident73.2Confident36 Ų3644.9 Ų44.919%0.19323%0.225CC..PPolyproline II helixtrans-72.2141.3171.8-71.9-5.1000111.3Y2104 R2152 Q2205 V2206 P2207 N2208Y2104-D2299 VanDerWaalsContact CE1-OD1 3.27Å; Y2104-D2299 WeakPolarHBondContact CE1-OD1 3.2Å; Y2104-D2299 PolarHBondContact OH-OD1 2.94Å; R2152-D2299 PolarHBondContact NH1-O 2.94Å; Q2205-D2299 PolarHBondContact NE2-OD1 2.78Å; Q2205-D2299 PolarHBondContact NE2-OD2 3.09Å; V2206-D2299 PolarHBondContact O-N 3.27Å; P2207-D2299 WeakPolarHBondContact CA-OD2 3.41Å; N2208-D2299 WeakPolarHBondContact OD1-CB 3.49Å; N2208-D2299 PolarHBondContact OD1-O 3.13Å
2300R77.6Confident72.5Confident98 Ų9845.4 Ų45.437%0.3723%0.23SC..PPolyproline II helixtrans-76.8132.1176.2-64.3-175.6-178.4-162.6-0.2111.7T2030 I2031 T2105 D2108 N2208T2030-R2300 CarbonylContact O-C 3.54Å; T2030-R2300 WeakPolarHBondContact O-CA 3.3Å; I2031-R2300 HydrophobicContact CG1-CG 4.08Å; T2105-R2300 PolarHBondContact OG1-NH2 3.17Å; T2105-R2300 VanDerWaalsContact OG1-NH2 3.11Å; D2108-R2300 WeakPolarHBondContact OD1-CG 3.33Å; D2108-R2300 IonicContact OD1-CZ 2.81Å; D2108-R2300 IonicContact OD1-NE 2.68Å; D2108-R2300 PolarHBondContact OD1-NE 2.84Å; D2108-R2300 IonicContact OD1-NH2 2.74Å; D2108-R2300 IonicContact OD2-CZ 3.73Å; D2108-R2300 IonicContact OD2-NE 2.77Å; D2108-R2300 PolarHBondContact OD2-NE 3.38Å; D2108-R2300 IonicContact OD2-NH2 2.66Å; D2108-R2300 PolarHBondContact OD2-NH2 3Å; N2208-R2300 PolarHBondContact ND2-O 3.5Å; N2208-R2300 VanDerWaalsContact OD1-C 3.22Å; N2208-R2300 PolarHBondContact OD1-O 3.34Å
2301A67.1Low71.7Confident11 Ų1149.8 Ų49.89%0.09124%0.242CC..BIsolated β-bridgetrans-81.7144.4179.800000112.1T2030T2030-A2301 PolarHBondContact N-O 3.1Å; T2030-A2301 PolarHBondContact O-N 3.28Å; T2030-A2301 PolarHBondContact OG1-O 3.28Å
2302F64.4Low70.8Confident111 Ų11149.9 Ų49.949%0.48726%0.255SS..PPolyproline II helixtrans-91.2141.4169.3-67.1-75.2000109.8S2304 A2307F2302-S2304 PolarHBondContact O-N 3.34Å; F2302-A2307 HydrophobicContact CB-CB 4.47Å
2303P59.5Low69.8Low44 Ų4452.4 Ų52.429%0.28628%0.281SS..PPolyproline II helixtrans-51.5134.4171-24.631.3000111.3F2305 L2306 A2307P2303-F2305 PolarHBondContact O-N 3.3Å; P2303-L2306 HydrophobicContact CB-CD1 4.41Å; P2303-L2306 HydrophobicContact CG-CD1 4.13Å; P2303-L2306 WeakPolarHBondContact O-CB 3.49Å; P2303-L2306 PolarHBondContact O-N 2.95Å; P2303-A2307 PolarHBondContact O-N 2.98Å; P2303-A2307 VanDerWaalsContact O-N 3.17Å
2304S57.4Low68.8Low48 Ų4854.5 Ų54.534%0.33630%0.295SS..Hα-helixtrans-56.2-30.5-169.960.10000114.8N2157 F2302 K2308N2157-S2304 VanDerWaalsContact O-CB 3.28Å; N2157-S2304 WeakPolarHBondContact O-CB 3.48Å; N2157-S2304 PolarHBondContact O-OG 3.39Å; F2302-S2304 PolarHBondContact O-N 3.34Å; S2304-K2308 PolarHBondContact O-N 3.04Å
2305F55.7Low67.9Low96 Ų9659.7 Ų59.742%0.42132%0.321SS..Hα-helixtrans-62-44.8172.6172.3-101.3000112.9K1824 P2303 K2308 V2309K1824-F2305 HydrophobicContact CD-CB 4.44Å; P2303-F2305 PolarHBondContact O-N 3.3Å; F2305-K2308 PolarHBondContact O-N 2.91Å; F2305-V2309 HydrophobicContact CE2-CG2 4.47Å; F2305-V2309 HydrophobicContact CZ-CG2 4.39Å; F2305-V2309 WeakPolarHBondContact O-CG2 3.35Å; F2305-V2309 PolarHBondContact O-N 3.38Å
2306L59.3Low67.1Low18 Ų1862.4 Ų62.49%0.09434%0.344CS..Hα-helixtrans-70.4-43.7-179.2-69.1175.9000110.4L2025 P2303 K2308 V2309 F2310L2025-L2306 HydrophobicContact CD1-CD2 4.3Å; L2025-L2306 HydrophobicContact CD2-CD1 4.47Å; L2025-L2306 HydrophobicContact CD2-CD2 3.96Å; P2303-L2306 HydrophobicContact CB-CD1 4.41Å; P2303-L2306 HydrophobicContact CG-CD1 4.13Å; P2303-L2306 WeakPolarHBondContact O-CB 3.49Å; P2303-L2306 PolarHBondContact O-N 2.95Å; L2306-K2308 PolarHBondContact O-N 3.42Å; L2306-V2309 PolarHBondContact O-N 3.41Å; L2306-F2310 HydrophobicContact CB-CD2 4.04Å; L2306-F2310 HydrophobicContact CB-CE2 3.89Å; L2306-F2310 HydrophobicContact CD2-CE2 4.09Å; L2306-F2310 HydrophobicContact CG-CE2 4.47Å; L2306-F2310 WeakPolarHBondContact O-CB 3.4Å; L2306-F2310 WeakPolarHBondContact O-CD2 3.42Å; L2306-F2310 WeakPolarHBondContact O-CG 3.48Å; L2306-F2310 PolarHBondContact O-N 2.88Å
2307A59.5Low66.1Low32 Ų3266.6 Ų66.626%0.26437%0.37SS..Hα-helixtrans-58.5-31.7176.200000112.8F2302 P2303 K2311F2302-A2307 HydrophobicContact CB-CB 4.47Å; P2303-A2307 PolarHBondContact O-N 2.98Å; P2303-A2307 VanDerWaalsContact O-N 3.17Å; A2307-K2311 WeakPolarHBondContact O-CG 3.35Å; A2307-K2311 PolarHBondContact O-N 2.84Å
2308K60.4Low65.2Low174 Ų17469.8 Ų69.876%0.75738%0.382SS*.Hα-helixtrans-77-35.2178.2-158172.2-174.7177.30113.2S2304 F2305 L2306S2304-K2308 PolarHBondContact O-N 3.04Å; F2305-K2308 PolarHBondContact O-N 2.91Å; L2306-K2308 PolarHBondContact O-N 3.42Å
2309V56.7Low64.8Low78 Ų7874 Ų7447%0.47340%0.404SS..Hα-helixtrans-75.6-38.7176.8175.60000111.5F2305 L2306 K2311 G2312F2305-V2309 HydrophobicContact CE2-CG2 4.47Å; F2305-V2309 HydrophobicContact CZ-CG2 4.39Å; F2305-V2309 WeakPolarHBondContact O-CG2 3.35Å; F2305-V2309 PolarHBondContact O-N 3.38Å; L2306-V2309 PolarHBondContact O-N 3.41Å; V2309-K2311 VanDerWaalsContact C-N 3.3Å; V2309-K2311 PolarHBondContact O-N 3.5Å; V2309-G2312 PolarHBondContact O-N 3.21Å
2310F58.5Low64.6Low77 Ų7775 Ų7534%0.33841%0.414SS..Hα-helixtrans-74.1-17.5178.4-70-55.9000114.2L2025 L2306 G2312 V2314L2025-F2310 HydrophobicContact CB-CZ 4.47Å; L2306-F2310 HydrophobicContact CB-CD2 4.04Å; L2306-F2310 HydrophobicContact CB-CE2 3.89Å; L2306-F2310 HydrophobicContact CD2-CE2 4.09Å; L2306-F2310 HydrophobicContact CG-CE2 4.47Å; L2306-F2310 WeakPolarHBondContact O-CB 3.4Å; L2306-F2310 WeakPolarHBondContact O-CD2 3.42Å; L2306-F2310 WeakPolarHBondContact O-CG 3.48Å; L2306-F2310 PolarHBondContact O-N 2.88Å; F2310-G2312 PolarHBondContact O-N 3.03Å; F2310-V2314 HydrophobicContact CD1-CG2 4.05Å; F2310-V2314 HydrophobicContact CE1-CG2 4.46Å
2311K59Low64.4Low158 Ų15873.1 Ų73.169%0.68741%0.413SS*.THydrogen-bonded Turntrans-66.3-12.5169.2-83.1174.9-179.7-170.90113A2307 V2309A2307-K2311 WeakPolarHBondContact O-CG 3.35Å; A2307-K2311 PolarHBondContact O-N 2.84Å; V2309-K2311 VanDerWaalsContact C-N 3.3Å; V2309-K2311 PolarHBondContact O-N 3.5Å
2312G59.6Low65.1Low41 Ų4175.1 Ų75.142%0.42342%0.422SS..SBendtrans-109.7158175.300000114.1V2309 F2310 V2314V2309-G2312 PolarHBondContact O-N 3.21Å; F2310-G2312 PolarHBondContact O-N 3.03Å; G2312-V2314 PolarHBondContact O-N 2.84Å
2313G63.2Low65.9Low53 Ų5375.3 Ų75.355%0.54643%0.427SS..  trans-67.487.6-179.200000113.6I2315 A2316 V2317G2313-I2315 PolarHBondContact O-N 3.5Å; G2313-A2316 WeakPolarHBondContact O-CA 3.32Å; G2313-A2316 VanDerWaalsContact O-CB 3.28Å; G2313-A2316 WeakPolarHBondContact O-CB 3.45Å; G2313-A2316 PolarHBondContact O-N 3.12Å; G2313-V2317 PolarHBondContact O-N 3.19Å; G2313-V2317 VanDerWaalsContact O-N 3.09Å
2314V62.8Low66.9Low59 Ų5978 Ų7836%0.35844%0.443SS..Hα-helixtrans-53.8-36.4-178.4179.70000113.1F2310 G2312 A2316 V2317 Y2318F2310-V2314 HydrophobicContact CD1-CG2 4.05Å; F2310-V2314 HydrophobicContact CE1-CG2 4.46Å; G2312-V2314 PolarHBondContact O-N 2.84Å; V2314-A2316 VanDerWaalsContact C-N 3.34Å; V2314-A2316 PolarHBondContact O-N 3.01Å; V2314-V2317 PolarHBondContact O-N 3.18Å; V2314-Y2318 WeakPolarHBondContact O-CB 3.38Å; V2314-Y2318 PolarHBondContact O-N 3.12Å
2315I69.3Low67.9Low110 Ų11077.1 Ų77.156%0.56444%0.435SS*.Hα-helixtrans-65.2-37.4175.3-65.9167000111.2G2313 Y2318 L2319G2313-I2315 PolarHBondContact O-N 3.5Å; I2315-Y2318 PolarHBondContact O-N 3.03Å; I2315-L2319 HydrophobicContact CG2-CD1 3.95Å; I2315-L2319 HydrophobicContact CG2-CG 4.44Å; I2315-L2319 WeakPolarHBondContact O-CB 3.44Å; I2315-L2319 WeakPolarHBondContact O-CG 3.34Å; I2315-L2319 PolarHBondContact O-N 3.28Å
2316A70.7Confident68.9Low63 Ų6374.2 Ų74.252%0.52143%0.432SS..Hα-helixtrans-68.5-39.6175.900000111.1G2313 V2314 S2320G2313-A2316 WeakPolarHBondContact O-CA 3.32Å; G2313-A2316 VanDerWaalsContact O-CB 3.28Å; G2313-A2316 WeakPolarHBondContact O-CB 3.45Å; G2313-A2316 PolarHBondContact O-N 3.12Å; V2314-A2316 VanDerWaalsContact C-N 3.34Å; V2314-A2316 PolarHBondContact O-N 3.01Å; A2316-S2320 WeakPolarHBondContact O-CB 3.35Å; A2316-S2320 PolarHBondContact O-N 3.02Å; A2316-S2320 PolarHBondContact O-OG 3.29Å
2317V66.7Low69.8Low88 Ų8882.6 Ų82.653%0.53346%0.463SS..Hα-helixtrans-62.7-47.3173.2179.60000110.6G2313 V2314 S2320 V2321G2313-V2317 PolarHBondContact O-N 3.19Å; G2313-V2317 VanDerWaalsContact O-N 3.09Å; V2314-V2317 PolarHBondContact O-N 3.18Å; V2317-S2320 WeakPolarHBondContact CA-OG 3.42Å; V2317-S2320 PolarHBondContact O-N 3.32Å; V2317-S2320 PolarHBondContact O-OG 3.26Å; V2317-V2321 HydrophobicContact CG1-CG2 4.4Å; V2317-V2321 VanDerWaalsContact O-CG2 3.3Å; V2317-V2321 WeakPolarHBondContact O-CG2 3.41Å; V2317-V2321 PolarHBondContact O-N 3.37Å
2318Y72.6Confident70.2Confident67 Ų6783.5 Ų83.526%0.26348%0.475SS..Hα-helixtrans-59.1-49.9176.7171.8-105.2000113.1P2018 V2314 I2315 S2320 V2321 I2322P2018-Y2318 HydrophobicContact CB-CD2 3.67Å; P2018-Y2318 HydrophobicContact CB-CE2 3.99Å; P2018-Y2318 HydrophobicContact CG-CD2 3.98Å; P2018-Y2318 HydrophobicContact CG-CE2 4.13Å; V2314-Y2318 WeakPolarHBondContact O-CB 3.38Å; V2314-Y2318 PolarHBondContact O-N 3.12Å; I2315-Y2318 PolarHBondContact O-N 3.03Å; Y2318-S2320 VanDerWaalsContact C-N 3.3Å; Y2318-S2320 PolarHBondContact O-N 2.9Å; Y2318-V2321 PolarHBondContact O-N 2.99Å; Y2318-I2322 HydrophobicContact CD1-CD1 4.24Å; Y2318-I2322 HydrophobicContact CD2-CD1 3.96Å; Y2318-I2322 HydrophobicContact CD2-CG1 4.47Å; Y2318-I2322 HydrophobicContact CE1-CD1 3.61Å; Y2318-I2322 HydrophobicContact CE2-CD1 3.3Å; Y2318-I2322 HydrophobicContact CE2-CG1 4.17Å; Y2318-I2322 HydrophobicContact CG-CD1 4.41Å; Y2318-I2322 PolarHBondContact O-N 3.11Å; Y2318-I2322 WeakPolarHBondContact OH-CD1 3.2Å
2319L78.8Confident70.6Confident92 Ų9280.5 Ų80.548%0.48247%0.467SS..Hα-helixtrans-61.9-39.8176.3-75.8170.5000111.2I2315 L2323I2315-L2319 HydrophobicContact CG2-CD1 3.95Å; I2315-L2319 HydrophobicContact CG2-CG 4.44Å; I2315-L2319 WeakPolarHBondContact O-CB 3.44Å; I2315-L2319 WeakPolarHBondContact O-CG 3.34Å; I2315-L2319 PolarHBondContact O-N 3.28Å; L2319-L2323 WeakPolarHBondContact O-CB 3.44Å; L2319-L2323 WeakPolarHBondContact O-CG 3.17Å; L2319-L2323 PolarHBondContact O-N 2.83Å
2320S78Confident71.5Confident58 Ų5879.8 Ų79.841%0.40646%0.462SS..Hα-helixtrans-63.2-43.5176.476.30000111.7A2316 V2317 Y2318 L2323 V2324A2316-S2320 WeakPolarHBondContact O-CB 3.35Å; A2316-S2320 PolarHBondContact O-N 3.02Å; A2316-S2320 PolarHBondContact O-OG 3.29Å; V2317-S2320 WeakPolarHBondContact CA-OG 3.42Å; V2317-S2320 PolarHBondContact O-N 3.32Å; V2317-S2320 PolarHBondContact O-OG 3.26Å; Y2318-S2320 VanDerWaalsContact C-N 3.3Å; Y2318-S2320 PolarHBondContact O-N 2.9Å; S2320-L2323 PolarHBondContact O-N 2.61Å; S2320-V2324 VanDerWaalsContact O-CB 3.28Å; S2320-V2324 WeakPolarHBondContact O-CB 3.21Å; S2320-V2324 WeakPolarHBondContact O-CG2 3.32Å; S2320-V2324 PolarHBondContact O-N 2.55Å
2321V74.4Confident72.4Confident58 Ų5883.5 Ų83.535%0.35247%0.474SS..Hα-helixtrans-66.6-44.9179.5169.70000111F2014 V2317 Y2318 V2324 V2325F2014-V2321 HydrophobicContact CE1-CG1 4.13Å; F2014-V2321 HydrophobicContact CE2-CG1 4.45Å; F2014-V2321 HydrophobicContact CZ-CG1 3.52Å; V2317-V2321 HydrophobicContact CG1-CG2 4.4Å; V2317-V2321 VanDerWaalsContact O-CG2 3.3Å; V2317-V2321 WeakPolarHBondContact O-CG2 3.41Å; V2317-V2321 PolarHBondContact O-N 3.37Å; Y2318-V2321 PolarHBondContact O-N 2.99Å; V2321-V2324 PolarHBondContact O-N 3.48Å; V2321-V2325 WeakPolarHBondContact O-CB 3.21Å; V2321-V2325 WeakPolarHBondContact O-CG2 3.21Å; V2321-V2325 PolarHBondContact O-N 3.3Å
2322I81Confident73.2Confident53 Ų5377 Ų7727%0.27245%0.451SS..Hα-helixtrans-66-40.8176.8-72.6-178000111.5Y2318 G2326Y2318-I2322 HydrophobicContact CD1-CD1 4.24Å; Y2318-I2322 HydrophobicContact CD2-CD1 3.96Å; Y2318-I2322 HydrophobicContact CD2-CG1 4.47Å; Y2318-I2322 HydrophobicContact CE1-CD1 3.61Å; Y2318-I2322 HydrophobicContact CE2-CD1 3.3Å; Y2318-I2322 HydrophobicContact CE2-CG1 4.17Å; Y2318-I2322 HydrophobicContact CG-CD1 4.41Å; Y2318-I2322 PolarHBondContact O-N 3.11Å; Y2318-I2322 WeakPolarHBondContact OH-CD1 3.2Å; I2322-G2326 WeakPolarHBondContact O-CA 3.43Å; I2322-G2326 PolarHBondContact O-N 2.89Å
2323L81.8Confident73.8Confident115 Ų11580.3 Ų80.360%0.60246%0.458SS*.Hα-helixtrans-66.7-40.7175.7-74.4171.5000111.4L2319 S2320 R2327L2319-L2323 WeakPolarHBondContact O-CB 3.44Å; L2319-L2323 WeakPolarHBondContact O-CG 3.17Å; L2319-L2323 PolarHBondContact O-N 2.83Å; S2320-L2323 PolarHBondContact O-N 2.61Å; L2323-R2327 WeakPolarHBondContact O-CA 3.42Å; L2323-R2327 WeakPolarHBondContact O-CB 2.9Å; L2323-R2327 PolarHBondContact O-N 2.91Å
2324V80.2Confident74.5Confident100 Ų10084.9 Ų84.961%0.60646%0.463SS*.Hα-helixtrans-65.3-43.4176.9167.70000111.1S2320 V2321 G2328S2320-V2324 VanDerWaalsContact O-CB 3.28Å; S2320-V2324 WeakPolarHBondContact O-CB 3.21Å; S2320-V2324 WeakPolarHBondContact O-CG2 3.32Å; S2320-V2324 PolarHBondContact O-N 2.55Å; V2321-V2324 PolarHBondContact O-N 3.48Å; V2324-G2328 WeakPolarHBondContact O-CA 3.33Å; V2324-G2328 PolarHBondContact O-N 3.26Å
2325V77.2Confident75.3Confident29 Ų2985.9 Ų85.918%0.17647%0.47CS..Iπ-helixtrans-75.9-40.9178.9171.90000112.2F2014 V2321 L2329 V2330F2014-V2325 HydrophobicContact CD1-CB 4.32Å; F2014-V2325 HydrophobicContact CD1-CG1 3.9Å; F2014-V2325 HydrophobicContact CE1-CB 3.47Å; F2014-V2325 VanDerWaalsContact CE1-CB 3.47Å; F2014-V2325 HydrophobicContact CE1-CG1 3.55Å; F2014-V2325 HydrophobicContact CE1-CG2 3.55Å; F2014-V2325 HydrophobicContact CE2-CG2 3.94Å; F2014-V2325 HydrophobicContact CZ-CB 3.68Å; F2014-V2325 HydrophobicContact CZ-CG1 3.93Å; F2014-V2325 HydrophobicContact CZ-CG2 3.15Å; V2321-V2325 WeakPolarHBondContact O-CB 3.21Å; V2321-V2325 WeakPolarHBondContact O-CG2 3.21Å; V2321-V2325 PolarHBondContact O-N 3.3Å; V2325-L2329 HydrophobicContact CG1-CB 4.46Å; V2325-L2329 HydrophobicContact CG1-CD1 4.3Å; V2325-L2329 HydrophobicContact CG2-CD1 4.12Å; V2325-L2329 PolarHBondContact O-N 3.38Å; V2325-L2329 VanDerWaalsContact O-N 3.12Å; V2325-V2330 HydrophobicContact CG1-CG2 4.41Å; V2325-V2330 PolarHBondContact O-N 3.43Å
2326G77.9Confident75.6Confident35 Ų3584 Ų8436%0.36146%0.464SS..Iπ-helixtrans-64.5-47.7176.300000112.5I2322 R2331I2322-G2326 WeakPolarHBondContact O-CA 3.43Å; I2322-G2326 PolarHBondContact O-N 2.89Å; G2326-R2331 WeakPolarHBondContact O-CB 3.24Å; G2326-R2331 PolarHBondContact O-N 3.25Å
2327R77.4Confident75.9Confident194 Ų19484 Ų8473%0.73246%0.46SS*.Iπ-helixtrans-82-39.9-179.5-168-176.8168.693.52.2112.8L2323L2323-R2327 WeakPolarHBondContact O-CA 3.42Å; L2323-R2327 WeakPolarHBondContact O-CB 2.9Å; L2323-R2327 PolarHBondContact O-N 2.91Å
2328G68.7Low76.7Confident51 Ų5184.2 Ų84.253%0.52646%0.463SS..Iπ-helixtrans-86.2-49.8-172.500000114.3V2324V2324-G2328 WeakPolarHBondContact O-CA 3.33Å; V2324-G2328 PolarHBondContact O-N 3.26Å
2329L68.9Low77.1Confident111 Ų11184.8 Ų84.858%0.58148%0.477SS*.Iπ-helixtrans-91.5-59.4-176.1-73.7168.4000112.2V2325 I2333V2325-L2329 HydrophobicContact CG1-CB 4.46Å; V2325-L2329 HydrophobicContact CG1-CD1 4.3Å; V2325-L2329 HydrophobicContact CG2-CD1 4.12Å; V2325-L2329 PolarHBondContact O-N 3.38Å; V2325-L2329 VanDerWaalsContact O-N 3.12Å; L2329-I2333 WeakPolarHBondContact O-CD1 3.35Å; L2329-I2333 VanDerWaalsContact O-CG1 3.24Å; L2329-I2333 WeakPolarHBondContact O-CG1 3.25Å; L2329-I2333 PolarHBondContact O-N 2.95Å; L2329-I2333 VanDerWaalsContact O-N 3.15Å
2330V74.9Confident77.3Confident63 Ų6382.8 Ų82.838%0.38247%0.468SS..Iπ-helixtrans-69.1-55.1-172.3-1800000110.3V2325 G2332 I2333 F2334V2325-V2330 HydrophobicContact CG1-CG2 4.41Å; V2325-V2330 PolarHBondContact O-N 3.43Å; V2330-G2332 VanDerWaalsContact C-N 3.31Å; V2330-G2332 PolarHBondContact O-N 2.98Å; V2330-I2333 PolarHBondContact O-N 2.89Å; V2330-F2334 HydrophobicContact CG1-CD2 4.11Å; V2330-F2334 HydrophobicContact CG1-CE2 4.03Å; V2330-F2334 WeakPolarHBondContact O-CD2 3.26Å; V2330-F2334 PolarHBondContact O-N 2.94Å
2331R77.7Confident77.6Confident156 Ų15683.2 Ų83.259%0.58947%0.469SS*.Hα-helixtrans-65.2-35178.1-172.7175.5-178.8139.40.7112G2326 F2334 T2335G2326-R2331 WeakPolarHBondContact O-CB 3.24Å; G2326-R2331 PolarHBondContact O-N 3.25Å; R2331-F2334 PolarHBondContact O-N 3.11Å; R2331-T2335 HydrophobicContact CG-CG2 3.54Å; R2331-T2335 VanDerWaalsContact O-CB 3.29Å; R2331-T2335 WeakPolarHBondContact O-CB 3.27Å; R2331-T2335 VanDerWaalsContact O-CG2 3.29Å; R2331-T2335 WeakPolarHBondContact O-CG2 3.48Å; R2331-T2335 PolarHBondContact O-N 3.27Å; R2331-T2335 PolarHBondContact O-OG1 3.15Å
2332G75Confident78.1Confident20 Ų2084 Ų8421%0.20647%0.469CS..Hα-helixtrans-52.3-57.4174.300000111.6V2330 F2334 T2335 T2336V2330-G2332 VanDerWaalsContact C-N 3.31Å; V2330-G2332 PolarHBondContact O-N 2.98Å; G2332-F2334 PolarHBondContact O-N 3.3Å; G2332-T2335 PolarHBondContact O-N 2.71Å; G2332-T2336 WeakPolarHBondContact O-CB 3.34Å; G2332-T2336 WeakPolarHBondContact O-CG2 3.26Å; G2332-T2336 PolarHBondContact O-N 3.29Å; G2332-T2336 PolarHBondContact O-OG1 3.36Å
2333I73.3Confident78.2Confident111 Ų11184.1 Ų84.157%0.56947%0.468SS*.Hα-helixtrans-57.8-43.7-177.8-65.1162.9000112.8L2329 V2330L2329-I2333 WeakPolarHBondContact O-CD1 3.35Å; L2329-I2333 VanDerWaalsContact O-CG1 3.24Å; L2329-I2333 WeakPolarHBondContact O-CG1 3.25Å; L2329-I2333 PolarHBondContact O-N 2.95Å; L2329-I2333 VanDerWaalsContact O-N 3.15Å; V2330-I2333 PolarHBondContact O-N 2.89Å
2334F77.6Confident78.3Confident149 Ų14980.8 Ų80.865%0.65445%0.452SS*.Hα-helixtrans-81.8-30.7-175.9-68.1-67.8000113.7V2330 R2331 G2332V2330-F2334 HydrophobicContact CG1-CD2 4.11Å; V2330-F2334 HydrophobicContact CG1-CE2 4.03Å; V2330-F2334 WeakPolarHBondContact O-CD2 3.26Å; V2330-F2334 PolarHBondContact O-N 2.94Å; R2331-F2334 PolarHBondContact O-N 3.11Å; G2332-F2334 PolarHBondContact O-N 3.3Å
2335T79.3Confident78.5Confident80 Ų8082 Ų8249%0.49145%0.452SS..Hα-helixtrans-86.6-27.8-177.658.50000113.7R2331 G2332R2331-T2335 HydrophobicContact CG-CG2 3.54Å; R2331-T2335 VanDerWaalsContact O-CB 3.29Å; R2331-T2335 WeakPolarHBondContact O-CB 3.27Å; R2331-T2335 VanDerWaalsContact O-CG2 3.29Å; R2331-T2335 WeakPolarHBondContact O-CG2 3.48Å; R2331-T2335 PolarHBondContact O-N 3.27Å; R2331-T2335 PolarHBondContact O-OG1 3.15Å; G2332-T2335 PolarHBondContact O-N 2.71Å
2336T75.6Confident79Confident71 Ų7180.9 Ų80.944%0.43645%0.445SS..Hα-helixtrans-81.7-22.1177.259.90000112.9G2332 S2339 T2340G2332-T2336 WeakPolarHBondContact O-CB 3.34Å; G2332-T2336 WeakPolarHBondContact O-CG2 3.26Å; G2332-T2336 PolarHBondContact O-N 3.29Å; G2332-T2336 PolarHBondContact O-OG1 3.36Å; T2336-S2339 PolarHBondContact O-N 2.72Å; T2336-S2339 PolarHBondContact O-OG 2.87Å; T2336-T2340 PolarHBondContact O-N 3.1Å; T2336-T2340 VanDerWaalsContact O-N 3.16Å; T2336-T2340 PolarHBondContact O-OG1 3.31Å
2337S77.7Confident79.4Confident64 Ų6482.2 Ų82.245%0.44845%0.447SS..Hα-helixtrans-57.7-45.4-176177.20000113.5S2339 T2340 V2341S2337-S2339 VanDerWaalsContact C-N 3.35Å; S2337-S2339 PolarHBondContact O-N 2.75Å; S2337-T2340 PolarHBondContact O-N 3.29Å; S2337-T2340 PolarHBondContact O-OG1 2.97Å; S2337-V2341 VanDerWaalsContact O-CG2 3.24Å; S2337-V2341 WeakPolarHBondContact O-CG2 3.44Å; S2337-V2341 PolarHBondContact O-N 3.1Å
2338P81.9Confident79.7Confident92 Ų9274.3 Ų74.360%0.59742%0.419SS*.Hα-helixtrans-62.9-34.7176.3-24.735.7000114.2T2340 V2341P2338-T2340 VanDerWaalsContact C-N 3.34Å; P2338-V2341 WeakPolarHBondContact O-CG2 3.45Å
2339S81.3Confident80.5Confident79 Ų7972 Ų7255%0.55239%0.394SS*.Hα-helixtrans-76-23.5-179.458.90000112.8T2336 S2337T2336-S2339 PolarHBondContact O-N 2.72Å; T2336-S2339 PolarHBondContact O-OG 2.87Å; S2337-S2339 VanDerWaalsContact C-N 3.35Å; S2337-S2339 PolarHBondContact O-N 2.75Å
2340T83.5Confident81.2Confident49 Ų4968.5 Ų68.530%0.30138%0.377SS..Hα-helixtrans-91.4-7178.6560000113.7T2336 S2337 P2338 M2342 F2343 T2344T2336-T2340 PolarHBondContact O-N 3.1Å; T2336-T2340 VanDerWaalsContact O-N 3.16Å; T2336-T2340 PolarHBondContact O-OG1 3.31Å; S2337-T2340 PolarHBondContact O-N 3.29Å; S2337-T2340 PolarHBondContact O-OG1 2.97Å; P2338-T2340 VanDerWaalsContact C-N 3.34Å; T2340-M2342 PolarHBondContact O-N 3.25Å; T2340-M2342 VanDerWaalsContact O-N 3.12Å; T2340-F2343 PolarHBondContact O-N 3.11Å; T2340-T2344 PolarHBondContact O-N 3.5Å; T2340-T2344 PolarHBondContact O-OG1 3.4Å
2341V84.9Confident81.5Confident68 Ų6866.1 Ų66.141%0.41236%0.361SS..Hα-helixtrans-52.9-38.6-175.9175.90000112.3S2337 P2338 F2343 T2344 E2345S2337-V2341 VanDerWaalsContact O-CG2 3.24Å; S2337-V2341 WeakPolarHBondContact O-CG2 3.44Å; S2337-V2341 PolarHBondContact O-N 3.1Å; P2338-V2341 WeakPolarHBondContact O-CG2 3.45Å; V2341-F2343 PolarHBondContact O-N 3.5Å; V2341-F2343 VanDerWaalsContact O-N 3.15Å; V2341-T2344 WeakPolarHBondContact CA-OG1 3.26Å; V2341-T2344 PolarHBondContact O-N 3.36Å; V2341-E2345 HydrophobicContact CG1-CB 4.28Å; V2341-E2345 HydrophobicContact CG1-CG 4.01Å; V2341-E2345 PolarHBondContact O-N 2.86Å
2342M84.5Confident82Confident73 Ų7358.7 Ų58.736%0.3633%0.333SS..Hα-helixtrans-59.2-25.4178.763.9178.1-66.300113.9T2340 P2385 L2388T2340-M2342 PolarHBondContact O-N 3.25Å; T2340-M2342 VanDerWaalsContact O-N 3.12Å; M2342-P2385 HydrophobicContact CE-CB 4.02Å; M2342-P2385 HydrophobicContact CE-CG 3.69Å; M2342-L2388 WeakPolarHBondContact O-CD2 3.49Å
2343F83Confident82.5Confident56 Ų5658.1 Ų58.125%0.24633%0.325CS..Hα-helixtrans-104.7-27179.2-50.2-60000112.5H1973 I1977 T2340 V2341 L2346 F2382 L2388H1973-F2343 PolarHBondContact CE1-O 2.91Å; I1977-F2343 WeakPolarHBondContact CD1-O 3.36Å; T2340-F2343 PolarHBondContact O-N 3.11Å; V2341-F2343 PolarHBondContact O-N 3.5Å; V2341-F2343 VanDerWaalsContact O-N 3.15Å; F2343-L2346 WeakPolarHBondContact O-CD1 3.34Å; F2343-L2346 WeakPolarHBondContact O-CG 3.5Å; F2343-F2382 AromaticContact CD1-CD1 3.59Å; F2343-F2382 HydrophobicContact CD1-CD1 3.59Å; F2343-F2382 AromaticContact CD1-CE1 3.81Å; F2343-F2382 HydrophobicContact CD1-CE1 3.81Å; F2343-F2382 AromaticContact CE1-CD1 3.56Å; F2343-F2382 HydrophobicContact CE1-CD1 3.56Å; F2343-F2382 HydrophobicContact CE1-CE1 4.26Å; F2343-L2388 HydrophobicContact CD1-CD2 4.09Å; F2343-L2388 HydrophobicContact CE1-CD2 4.38Å
2344T83.7Confident82.9Confident45 Ų4553.7 Ų53.728%0.27630%0.302SS..Hα-helixtrans-86.5-33.4-175.757.30000113.4T2340 V2341 L2346T2340-T2344 PolarHBondContact O-N 3.5Å; T2340-T2344 PolarHBondContact O-OG1 3.4Å; V2341-T2344 WeakPolarHBondContact CA-OG1 3.26Å; V2341-T2344 PolarHBondContact O-N 3.36Å; T2344-L2346 VanDerWaalsContact C-N 3.31Å; T2344-L2346 PolarHBondContact O-N 2.89Å
2345E85.2Confident83.2Confident127 Ų12746.9 Ų46.959%0.59327%0.273SS*.  trans-9542.2-176-66.8-62.5167.200113.2R1981 V2341R1981-E2345 IonicContact NH2-OE2 2.81Å; R1981-E2345 PolarHBondContact NH2-OE2 3.13Å; V2341-E2345 HydrophobicContact CG1-CB 4.28Å; V2341-E2345 HydrophobicContact CG1-CG 4.01Å; V2341-E2345 PolarHBondContact O-N 2.86Å
2346L87.9Confident83.6Confident5 Ų543.1 Ų43.13%0.02625%0.249CC..  trans-79.6124.7175.1-60.1174000109.9I1977 R1981 F2343 T2344 L2352 L2388 T2392I1977-L2346 HydrophobicContact CD1-CD1 4.08Å; I1977-L2346 HydrophobicContact CG2-CB 4.5Å; R1981-L2346 PolarHBondContact NE-O 2.89Å; R1981-L2346 VanDerWaalsContact NE-O 3.09Å; R1981-L2346 PolarHBondContact NH2-O 3.47Å; F2343-L2346 WeakPolarHBondContact O-CD1 3.34Å; F2343-L2346 WeakPolarHBondContact O-CG 3.5Å; T2344-L2346 VanDerWaalsContact C-N 3.31Å; T2344-L2346 PolarHBondContact O-N 2.89Å; L2346-L2352 HydrophobicContact CD1-CD1 3.56Å; L2346-L2388 HydrophobicContact CD1-CD1 4.21Å; L2346-L2388 HydrophobicContact CD2-CD1 3.81Å; L2346-L2388 HydrophobicContact CD2-CD2 4.13Å; L2346-L2388 HydrophobicContact CD2-CG 3.87Å; L2346-T2392 HydrophobicContact CD2-CG2 4.17Å
2347P84.6Confident83.9Confident62 Ų6241.7 Ų41.740%0.40324%0.239SC..SBendtrans-75.5-39.8-17714.5-11000112.6T2392 M2394P2347-T2392 WeakPolarHBondContact CD-O 3.24Å; P2347-T2392 VanDerWaalsContact CG-O 3.28Å; P2347-T2392 WeakPolarHBondContact CG-O 3.31Å; P2347-M2394 HydrophobicContact CB-CG 3.97Å
2348N83.9Confident84.2Confident29 Ų2939.7 Ų39.716%0.15522%0.223CC..  trans-124.6116.9171.6-175.36.7000110.1D2350 T2392N2348-D2350 VanDerWaalsContact OD1-CB 3.26Å; N2348-D2350 WeakPolarHBondContact OD1-CB 3.32Å; N2348-D2350 PolarHBondContact OD1-N 3.1Å; N2348-T2392 WeakPolarHBondContact CB-O 3.37Å; N2348-T2392 PolarHBondContact N-O 3.35Å; N2348-T2392 VanDerWaalsContact N-O 3.09Å; N2348-T2392 VanDerWaalsContact O-CB 3.3Å; N2348-T2392 WeakPolarHBondContact O-CB 3.02Å; N2348-T2392 WeakPolarHBondContact O-CG2 3.27Å
2349A86.7Confident84.4Confident1 Ų135.3 Ų35.31%0.00820%0.195CC..  trans-97.6-1.4179.700000113.2I1974 I1977 H2351 L2352 L2353I1974-A2349 HydrophobicContact CG2-CB 4.3Å; I1977-A2349 HydrophobicContact CB-CB 4.32Å; I1977-A2349 HydrophobicContact CG2-CB 3.85Å; A2349-H2351 PolarHBondContact O-N 2.82Å; A2349-L2352 PolarHBondContact O-N 3.16Å; A2349-L2353 PolarHBondContact O-N 2.83Å
2350D82.5Confident84.5Confident39 Ų3933.1 Ų33.121%0.20917%0.174CC..Hα-helixtrans-69.5-38-167.4-64.6-3.1000112.3L1373 K1978 N2348 L2352 L2353 K2354L1373-D2350 HydrophobicContact CD2-CB 3.75Å; K1978-D2350 WeakPolarHBondContact CD-OD1 3.42Å; K1978-D2350 WeakPolarHBondContact CE-OD1 3.42Å; K1978-D2350 IonicContact NZ-OD1 2.92Å; K1978-D2350 PolarHBondContact NZ-OD1 2.99Å; K1978-D2350 IonicContact NZ-OD2 3.2Å; K1978-D2350 PolarHBondContact NZ-OD2 3.47Å; N2348-D2350 VanDerWaalsContact OD1-CB 3.26Å; N2348-D2350 WeakPolarHBondContact OD1-CB 3.32Å; N2348-D2350 PolarHBondContact OD1-N 3.1Å; D2350-L2352 VanDerWaalsContact C-N 3.31Å; D2350-L2352 PolarHBondContact O-N 3.4Å; D2350-L2353 PolarHBondContact O-N 3.11Å; D2350-K2354 WeakPolarHBondContact O-CB 3.48Å; D2350-K2354 PolarHBondContact O-N 3.49Å
2351H81.5Confident84.2Confident13 Ų1331.6 Ų31.66%0.0616%0.164CC..Hα-helixtrans-64-36.8175.6-58.8-63.9000112.1P1368 A2349 I2355 W2391P1368-H2351 PolarHBondContact O-CE1 3.31Å; P1368-H2351 VanDerWaalsContact O-CE1 3.29Å; A2349-H2351 PolarHBondContact O-N 2.82Å; H2351-I2355 PolarHBondContact O-N 3.34Å; H2351-W2391 HydrophobicContact CB-CD2 4.19Å; H2351-W2391 HydrophobicContact CB-CE3 3.71Å; H2351-W2391 HydrophobicContact CB-CH2 3.61Å; H2351-W2391 HydrophobicContact CB-CZ2 4.11Å; H2351-W2391 HydrophobicContact CB-CZ3 3.42Å; H2351-W2391 VanDerWaalsContact CB-CZ3 3.42Å; H2351-W2391 PolarHBondContact CD2-O 3.34Å; H2351-W2391 VanDerWaalsContact O-CH2 3.28Å; H2351-W2391 WeakPolarHBondContact O-CH2 2.99Å; H2351-W2391 WeakPolarHBondContact O-CZ3 3.35Å
2352L87.5Confident84.2Confident0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-70.6-42.9176.3-63.7172.9000111.5I1974 L2346 A2349 D2350 K2354 I2355 C2356 L2381 L2388 W2391 T2392I1974-L2352 HydrophobicContact CD1-CB 3.72Å; I1974-L2352 HydrophobicContact CG1-CB 4.08Å; I1974-L2352 HydrophobicContact CG1-CD1 4.38Å; I1974-L2352 HydrophobicContact CG2-CB 4.05Å; L2346-L2352 HydrophobicContact CD1-CD1 3.56Å; A2349-L2352 PolarHBondContact O-N 3.16Å; D2350-L2352 VanDerWaalsContact C-N 3.31Å; D2350-L2352 PolarHBondContact O-N 3.4Å; L2352-K2354 VanDerWaalsContact C-N 3.25Å; L2352-K2354 PolarHBondContact O-N 2.92Å; L2352-I2355 PolarHBondContact O-N 2.99Å; L2352-C2356 PolarHBondContact O-N 3.49Å; L2352-L2381 HydrophobicContact CD2-CD1 4.08Å; L2352-L2381 HydrophobicContact CD2-CD2 3.43Å; L2352-L2381 VanDerWaalsContact CD2-CD2 3.43Å; L2352-L2381 HydrophobicContact CD2-CG 4.4Å; L2352-L2388 HydrophobicContact CD1-CD1 3.93Å; L2352-L2388 HydrophobicContact CD2-CD1 4.3Å; L2352-W2391 HydrophobicContact CD2-CE3 4.01Å; L2352-W2391 HydrophobicContact CD2-CZ3 3.9Å; L2352-W2391 HydrophobicContact CG-CZ3 4.39Å; L2352-T2392 HydrophobicContact CD1-CG2 3.98Å; L2352-T2392 HydrophobicContact CG-CG2 4.25Å
2353L85.8Confident84.3Confident7 Ų725.4 Ų25.44%0.03713%0.13CC..Hα-helixtrans-61.5-39177.1-174.562.7000111Y1926 Y1971 I1974 K1978 A2349 D2350 C2356 L2357Y1926-L2353 HydrophobicContact CE1-CD2 3.77Å; Y1926-L2353 WeakPolarHBondContact OH-CD2 3.34Å; Y1971-L2353 HydrophobicContact CD2-CD1 3.96Å; Y1971-L2353 HydrophobicContact CE2-CD1 3.58Å; I1974-L2353 HydrophobicContact CG2-CB 3.82Å; I1974-L2353 HydrophobicContact CG2-CD1 4.2Å; K1978-L2353 HydrophobicContact CB-CD2 4.43Å; K1978-L2353 HydrophobicContact CG-CD2 4.07Å; A2349-L2353 PolarHBondContact O-N 2.83Å; D2350-L2353 PolarHBondContact O-N 3.11Å; L2353-C2356 PolarHBondContact O-N 2.83Å; L2353-L2357 HydrophobicContact CG-CD1 4.21Å; L2353-L2357 WeakPolarHBondContact O-CG 3.45Å; L2353-L2357 PolarHBondContact O-N 2.71Å
2354K81.5Confident83.9Confident18 Ų1826 Ų268%0.07813%0.133CC..Hα-helixtrans-57.5-48.8174.1-179.3175.7177.2171.30111.9D1372 D2350 L2352 C2356 L2357 D2358D1372-K2354 PolarHBondContact O-NZ 3.26Å; D2350-K2354 WeakPolarHBondContact O-CB 3.48Å; D2350-K2354 PolarHBondContact O-N 3.49Å; L2352-K2354 VanDerWaalsContact C-N 3.25Å; L2352-K2354 PolarHBondContact O-N 2.92Å; K2354-C2356 VanDerWaalsContact C-N 3.3Å; K2354-C2356 PolarHBondContact O-N 3.44Å; K2354-L2357 PolarHBondContact O-N 2.8Å; K2354-L2357 VanDerWaalsContact O-N 3.15Å; K2354-D2358 WeakPolarHBondContact O-CB 3.39Å; K2354-D2358 PolarHBondContact O-N 3.49Å
2355I85.3Confident83.7Confident7 Ų726.2 Ų26.24%0.03614%0.139CC..Hα-helixtrans-57.5-44.1176.4-66.5175.3000111.1H2351 L2352 L2357 D2358 I2359 L2378 W2391H2351-I2355 PolarHBondContact O-N 3.34Å; L2352-I2355 PolarHBondContact O-N 2.99Å; I2355-L2357 PolarHBondContact O-N 3.23Å; I2355-D2358 PolarHBondContact O-N 3.39Å; I2355-I2359 HydrophobicContact CG2-CD1 4.05Å; I2355-I2359 VanDerWaalsContact O-CG1 3.31Å; I2355-I2359 WeakPolarHBondContact O-CG1 3.33Å; I2355-I2359 PolarHBondContact O-N 3.1Å; I2355-L2378 HydrophobicContact CB-CD1 4.42Å; I2355-L2378 HydrophobicContact CG2-CB 4.12Å; I2355-L2378 HydrophobicContact CG2-CD1 4.02Å; I2355-W2391 HydrophobicContact CD1-CH2 3.21Å; I2355-W2391 HydrophobicContact CD1-CZ2 4.15Å; I2355-W2391 HydrophobicContact CD1-CZ3 3.48Å; I2355-W2391 VanDerWaalsContact CD1-CZ3 3.48Å; I2355-W2391 HydrophobicContact CG1-CH2 3.7Å; I2355-W2391 HydrophobicContact CG1-CZ3 4.22Å
2356C87.7Confident83.6Confident0 Ų026.1 Ų26.10%014%0.137CC..Hα-helixtrans-63-42.1177.9-64.80000112.3Y1971 L2352 L2353 K2354 I2359 Y2360Y1971-C2356 HydrophobicContact CD2-CB 3.72Å; L2352-C2356 PolarHBondContact O-N 3.49Å; L2353-C2356 PolarHBondContact O-N 2.83Å; K2354-C2356 VanDerWaalsContact C-N 3.3Å; K2354-C2356 PolarHBondContact O-N 3.44Å; C2356-I2359 PolarHBondContact O-N 3.06Å; C2356-Y2360 VanDerWaalsContact O-CD2 3.22Å; C2356-Y2360 WeakPolarHBondContact O-CD2 3.44Å; C2356-Y2360 PolarHBondContact O-N 3.14Å; C2356-Y2360 VanDerWaalsContact O-N 3.16Å
2357L81.4Confident83.5Confident42 Ų4227.1 Ų27.122%0.2214%0.142CC..Hα-helixtrans-66.2-37.7176.1-69.3173.8000112.1Y1971 L2353 K2354 I2355 I2359 Y2360 L2361Y1971-L2357 HydrophobicContact CE2-CD2 4.44Å; L2353-L2357 HydrophobicContact CG-CD1 4.21Å; L2353-L2357 WeakPolarHBondContact O-CG 3.45Å; L2353-L2357 PolarHBondContact O-N 2.71Å; K2354-L2357 PolarHBondContact O-N 2.8Å; K2354-L2357 VanDerWaalsContact O-N 3.15Å; I2355-L2357 PolarHBondContact O-N 3.23Å; L2357-I2359 VanDerWaalsContact C-N 3.34Å; L2357-Y2360 HydrophobicContact CD2-CD2 4.47Å; L2357-Y2360 PolarHBondContact O-N 3.15Å; L2357-L2361 WeakPolarHBondContact O-CB 3.46Å; L2357-L2361 PolarHBondContact O-N 3.37Å
2358D82.9Confident83.6Confident22 Ų2227.5 Ų27.512%0.11814%0.138CC..Hα-helixtrans-63.2-41.1174.8-68.3-17.9000110.6I1330 K2354 I2355 Y2360 L2361 V2362 L2374I1330-D2358 HydrophobicContact CD1-CB 4.04Å; K2354-D2358 WeakPolarHBondContact O-CB 3.39Å; K2354-D2358 PolarHBondContact O-N 3.49Å; I2355-D2358 PolarHBondContact O-N 3.39Å; D2358-Y2360 VanDerWaalsContact C-N 3.35Å; D2358-Y2360 PolarHBondContact O-N 2.87Å; D2358-L2361 PolarHBondContact O-N 3.4Å; D2358-V2362 VanDerWaalsContact O-CB 3.27Å; D2358-V2362 WeakPolarHBondContact O-CB 3.49Å; D2358-V2362 WeakPolarHBondContact O-CG2 3.46Å; D2358-V2362 PolarHBondContact O-N 3.06Å; D2358-L2374 HydrophobicContact CB-CD1 4.09Å
2359I87Confident83.6Confident0 Ų032.4 Ų32.40%016%0.161CC..Hα-helixtrans-60.2-43.2173.7-68.2165.8000111.1M1959 M1967 I2355 C2356 L2357 R2363 E2371 L2374 F2375 L2378M1959-I2359 HydrophobicContact CE-CG2 3.73Å; M1967-I2359 HydrophobicContact CE-CG2 3.74Å; M1967-I2359 HydrophobicContact CG-CD1 4.37Å; M1967-I2359 HydrophobicContact CG-CG2 4.37Å; M1967-I2359 HydrophobicContact SD-CG2 4.39Å; I2355-I2359 HydrophobicContact CG2-CD1 4.05Å; I2355-I2359 VanDerWaalsContact O-CG1 3.31Å; I2355-I2359 WeakPolarHBondContact O-CG1 3.33Å; I2355-I2359 PolarHBondContact O-N 3.1Å; C2356-I2359 PolarHBondContact O-N 3.06Å; L2357-I2359 VanDerWaalsContact C-N 3.34Å; I2359-R2363 WeakPolarHBondContact O-CB 3.42Å; I2359-R2363 PolarHBondContact O-N 3.08Å; I2359-E2371 HydrophobicContact CG2-CG 4.39Å; I2359-L2374 HydrophobicContact CD1-CB 4.33Å; I2359-L2374 HydrophobicContact CG1-CB 3.71Å; I2359-L2374 HydrophobicContact CG1-CD1 4.39Å; I2359-F2375 HydrophobicContact CD1-CB 4.48Å; I2359-L2378 HydrophobicContact CD1-CD2 4.16Å
2360Y82.6Confident83.6Confident32 Ų3232.7 Ų32.713%0.12516%0.163CC..Hα-helixtrans-64.5-41.4176.2-71.3-53.1000112.6M1967 E1968 Y1971 C2356 L2357 D2358 R2363 E2364M1967-Y2360 HydrophobicContact CE-CD1 4Å; M1967-Y2360 HydrophobicContact CE-CE1 3.51Å; M1967-Y2360 HydrophobicContact SD-CE1 4.3Å; E1968-Y2360 VanDerWaalsContact OE1-CE1 3.27Å; E1968-Y2360 WeakPolarHBondContact OE1-CE1 3.38Å; E1968-Y2360 PolarHBondContact OE1-OH 2.94Å; E1968-Y2360 PolarHBondContact OE2-OH 3.29Å; Y1971-Y2360 HydrophobicContact CD1-CE2 4.28Å; Y1971-Y2360 AromaticContact CD2-CE2 3.97Å; Y1971-Y2360 HydrophobicContact CD2-CE2 3.97Å; Y1971-Y2360 HydrophobicContact CE1-CE2 4.4Å; Y1971-Y2360 HydrophobicContact CE2-CE2 4.06Å; Y1971-Y2360 HydrophobicContact CG-CE2 4.06Å; C2356-Y2360 VanDerWaalsContact O-CD2 3.22Å; C2356-Y2360 WeakPolarHBondContact O-CD2 3.44Å; C2356-Y2360 PolarHBondContact O-N 3.14Å; C2356-Y2360 VanDerWaalsContact O-N 3.16Å; L2357-Y2360 HydrophobicContact CD2-CD2 4.47Å; L2357-Y2360 PolarHBondContact O-N 3.15Å; D2358-Y2360 VanDerWaalsContact C-N 3.35Å; D2358-Y2360 PolarHBondContact O-N 2.87Å; Y2360-R2363 PolarHBondContact O-N 3.46Å; Y2360-E2364 PolarHBondContact O-N 3.02Å; Y2360-E2364 VanDerWaalsContact O-N 3.1Å
2361L78.5Confident83.8Confident17 Ų1730.8 Ų30.89%0.08915%0.153CC..Hα-helixtrans-66.9-44.4179.9-176.4152.6000111.5I1323 R1326 T1327 I1330 L2357 D2358 R2363 E2364 A2365I1323-L2361 HydrophobicContact CG2-CD1 4.31Å; I1323-L2361 HydrophobicContact CG2-CD2 4.46Å; I1323-L2361 HydrophobicContact CG2-CG 4.2Å; R1326-L2361 HydrophobicContact CB-CD1 4.38Å; T1327-L2361 WeakPolarHBondContact OG1-CD2 3.43Å; I1330-L2361 HydrophobicContact CD1-CD2 4.31Å; L2357-L2361 WeakPolarHBondContact O-CB 3.46Å; L2357-L2361 PolarHBondContact O-N 3.37Å; D2358-L2361 PolarHBondContact O-N 3.4Å; L2361-R2363 VanDerWaalsContact C-N 3.32Å; L2361-R2363 PolarHBondContact O-N 3.36Å; L2361-E2364 PolarHBondContact O-N 3.44Å; L2361-A2365 WeakPolarHBondContact O-CB 3.11Å; L2361-A2365 PolarHBondContact O-N 3.38Å
2362V83.7Confident84.1Confident0 Ų031.9 Ų31.90%016%0.158CC..Hα-helixtrans-64.3-36.7177.1167.60000111.6D2358 A2365 K2366 D2367 L2370 E2371 L2374D2358-V2362 VanDerWaalsContact O-CB 3.27Å; D2358-V2362 WeakPolarHBondContact O-CB 3.49Å; D2358-V2362 WeakPolarHBondContact O-CG2 3.46Å; D2358-V2362 PolarHBondContact O-N 3.06Å; V2362-A2365 PolarHBondContact O-N 2.98Å; V2362-K2366 PolarHBondContact O-N 3.05Å; V2362-K2366 VanDerWaalsContact O-N 3.16Å; V2362-D2367 HydrophobicContact CG1-CB 4.1Å; V2362-D2367 WeakPolarHBondContact CG1-O 3.48Å; V2362-D2367 PolarHBondContact O-N 3.29Å; V2362-D2367 VanDerWaalsContact O-N 3.09Å; V2362-L2370 HydrophobicContact CG1-CB 3.77Å; V2362-L2370 HydrophobicContact CG1-CD2 4.1Å; V2362-L2370 HydrophobicContact CG1-CG 3.99Å; V2362-L2370 HydrophobicContact CG2-CD2 3.61Å; V2362-L2370 HydrophobicContact CG2-CG 4.04Å; V2362-E2371 HydrophobicContact CG1-CB 4.06Å; V2362-L2374 HydrophobicContact CG2-CD1 3.97Å
2363R86.6Confident84Confident12 Ų1233.1 Ų33.15%0.04516%0.164CC..Hα-helixtrans-63-45.5172.8-176.8-175.3-63.4163-5.5112.2T1955 F1964 I2359 Y2360 L2361 A2365 K2366 E2371T1955-R2363 HydrophobicContact CG2-CG 4.23Å; F1964-R2363 VanDerWaalsContact CE2-CZ 3.4Å; I2359-R2363 WeakPolarHBondContact O-CB 3.42Å; I2359-R2363 PolarHBondContact O-N 3.08Å; Y2360-R2363 PolarHBondContact O-N 3.46Å; L2361-R2363 VanDerWaalsContact C-N 3.32Å; L2361-R2363 PolarHBondContact O-N 3.36Å; R2363-A2365 VanDerWaalsContact C-N 3.32Å; R2363-A2365 PolarHBondContact O-N 2.05Å; R2363-K2366 PolarHBondContact O-N 2.71Å; R2363-K2366 VanDerWaalsContact O-N 3.09Å; R2363-E2371 IonicContact CZ-OE1 2.69Å; R2363-E2371 IonicContact NE-OE1 3.59Å; R2363-E2371 PolarHBondContact NE-OE1 3.49Å; R2363-E2371 IonicContact NH2-OE1 2.99Å; R2363-E2371 PolarHBondContact NH2-OE1 3.15Å
2364E75.9Confident84Confident68 Ų6833.3 Ų33.332%0.31817%0.165SC..Hα-helixtrans-66.8-33.8176.3-76.6-151.6167.600112.8L1916 C1917 I1918 Y2360 L2361 K2366L1916-E2364 WeakPolarHBondContact CD2-OE2 3.03Å; C1917-E2364 PolarHBondContact N-OE1 2.99Å; I1918-E2364 HydrophobicContact CD1-CB 4.39Å; I1918-E2364 HydrophobicContact CD1-CG 4.03Å; I1918-E2364 VanDerWaalsContact CD1-OE2 3.27Å; I1918-E2364 WeakPolarHBondContact CD1-OE2 3.48Å; I1918-E2364 HydrophobicContact CG1-CG 3.84Å; I1918-E2364 WeakPolarHBondContact CG1-OE1 3.48Å; I1918-E2364 WeakPolarHBondContact CG1-OE2 3.34Å; I1918-E2364 PolarHBondContact N-OE1 3.26Å; Y2360-E2364 PolarHBondContact O-N 3.02Å; Y2360-E2364 VanDerWaalsContact O-N 3.1Å; L2361-E2364 PolarHBondContact O-N 3.44Å; E2364-K2366 PolarHBondContact O-N 3.35Å
2365A78.6Confident84.4Confident49 Ų4932.5 Ų32.541%0.40516%0.162SC..THydrogen-bonded Turntrans-71.4-6.2172.800000113.7T1327 L2361 V2362 R2363 D2367T1327-A2365 HydrophobicContact CG2-CB 3.85Å; L2361-A2365 WeakPolarHBondContact O-CB 3.11Å; L2361-A2365 PolarHBondContact O-N 3.38Å; V2362-A2365 PolarHBondContact O-N 2.98Å; R2363-A2365 VanDerWaalsContact C-N 3.32Å; R2363-A2365 PolarHBondContact O-N 2.05Å; A2365-D2367 VanDerWaalsContact C-N 3.3Å; A2365-D2367 PolarHBondContact O-N 2.97Å
2366K83.5Confident84.5Confident126 Ų12632.3 Ų32.355%0.54816%0.161SC..THydrogen-bonded Turntrans60.930.2-177.6-54.6-172.3177.5-152.90114.4D1956 V2362 R2363 E2364 F2368D1956-K2366 WeakPolarHBondContact OD2-CE 3.03Å; D1956-K2366 IonicContact OD2-NZ 3.78Å; D1956-K2366 PolarHBondContact OD2-NZ 3.27Å; V2362-K2366 PolarHBondContact O-N 3.05Å; V2362-K2366 VanDerWaalsContact O-N 3.16Å; R2363-K2366 PolarHBondContact O-N 2.71Å; R2363-K2366 VanDerWaalsContact O-N 3.09Å; E2364-K2366 PolarHBondContact O-N 3.35Å; K2366-F2368 HydrophobicContact CB-CE2 4.45Å; K2366-F2368 HydrophobicContact CB-CZ 4.18Å; K2366-F2368 PolarHBondContact O-N 3.44Å
2367D85.2Confident84.5Confident25 Ų2532.7 Ų32.713%0.13416%0.163CC..  trans-96.281174.8-171.7-3000111.2R1331 V2362 A2365 M2369 L2370 E2371R1331-D2367 IonicContact CZ-OD2 3.13Å; R1331-D2367 VanDerWaalsContact CZ-OD2 3.32Å; R1331-D2367 IonicContact NE-OD2 2.94Å; R1331-D2367 PolarHBondContact NE-OD2 3.29Å; R1331-D2367 VanDerWaalsContact NE-OD2 3.14Å; R1331-D2367 IonicContact NH2-OD1 2.64Å; R1331-D2367 IonicContact NH2-OD2 3.62Å; R1331-D2367 PolarHBondContact NH2-OD2 3.3Å; V2362-D2367 HydrophobicContact CG1-CB 4.1Å; V2362-D2367 WeakPolarHBondContact CG1-O 3.48Å; V2362-D2367 PolarHBondContact O-N 3.29Å; V2362-D2367 VanDerWaalsContact O-N 3.09Å; A2365-D2367 VanDerWaalsContact C-N 3.3Å; A2365-D2367 PolarHBondContact O-N 2.97Å; D2367-M2369 PolarHBondContact O-N 2.99Å; D2367-L2370 PolarHBondContact O-N 3.07Å; D2367-E2371 PolarHBondContact O-N 2.96Å; D2367-E2371 VanDerWaalsContact O-N 3.17Å
2368F86.8Confident84.8Confident71 Ų7130.7 Ų30.731%0.31115%0.152SC..Hα-helixtrans-69.3-25.8-171-61-50.7000115.2D1956 S1958 K2366 E2371 Q2372D1956-F2368 HydrophobicContact CB-CE1 4.46Å; D1956-F2368 HydrophobicContact CB-CZ 3.98Å; D1956-F2368 WeakPolarHBondContact O-CE1 3.43Å; S1958-F2368 PolarHBondContact OG-O 3.39Å; K2366-F2368 HydrophobicContact CB-CE2 4.45Å; K2366-F2368 HydrophobicContact CB-CZ 4.18Å; K2366-F2368 PolarHBondContact O-N 3.44Å; F2368-E2371 WeakPolarHBondContact O-CB 3.39Å; F2368-E2371 PolarHBondContact O-N 2.99Å; F2368-Q2372 WeakPolarHBondContact O-CG 3.25Å; F2368-Q2372 PolarHBondContact O-N 3.49Å
2369M84.7Confident85.1Confident132 Ų13231.6 Ų31.665%0.6516%0.157SC*.Hα-helixtrans-66.7-48.6177.5-71.4-67.7-69.700110D2367 E2371 Q2372 D2373D2367-M2369 PolarHBondContact O-N 2.99Å; M2369-E2371 VanDerWaalsContact C-N 3.27Å; M2369-E2371 PolarHBondContact O-N 3.29Å; M2369-Q2372 PolarHBondContact O-N 3.37Å; M2369-D2373 PolarHBondContact O-N 3.39Å; M2369-D2373 VanDerWaalsContact O-N 3.12Å
2370L85.8Confident85.2Confident6 Ų632.7 Ų32.73%0.03116%0.162CC..Hα-helixtrans-64.9-31.9177.4-17263.2000111.9I1330 R1331 Y1334 V2362 D2367 D2373 L2374I1330-L2370 HydrophobicContact CB-CD2 4.41Å; I1330-L2370 HydrophobicContact CG2-CD1 4.27Å; I1330-L2370 HydrophobicContact CG2-CD2 3.83Å; I1330-L2370 HydrophobicContact CG2-CG 4.34Å; R1331-L2370 HydrophobicContact CB-CD2 4.41Å; Y1334-L2370 HydrophobicContact CD1-CD1 4.02Å; Y1334-L2370 HydrophobicContact CG-CD1 3.92Å; V2362-L2370 HydrophobicContact CG1-CB 3.77Å; V2362-L2370 HydrophobicContact CG1-CD2 4.1Å; V2362-L2370 HydrophobicContact CG1-CG 3.99Å; V2362-L2370 HydrophobicContact CG2-CD2 3.61Å; V2362-L2370 HydrophobicContact CG2-CG 4.04Å; D2367-L2370 PolarHBondContact O-N 3.07Å; L2370-D2373 PolarHBondContact O-N 3.37Å; L2370-L2374 HydrophobicContact CD1-CG 4.33Å; L2370-L2374 HydrophobicContact CG-CD1 4.13Å; L2370-L2374 HydrophobicContact CG-CG 4.38Å; L2370-L2374 WeakPolarHBondContact O-CB 3.38Å; L2370-L2374 VanDerWaalsContact O-CG 3.29Å; L2370-L2374 WeakPolarHBondContact O-CG 3.4Å; L2370-L2374 PolarHBondContact O-N 3.01Å
2371E87.9Confident85.4Confident0 Ų031.2 Ų31.20%016%0.156CC..Hα-helixtrans-59-47.5172.3179.7-175.6-147.100111.6T1957 S1958 M1959 I2359 V2362 R2363 D2367 F2368 M2369 F2375T1957-E2371 VanDerWaalsContact OG1-CD 3.32Å; T1957-E2371 PolarHBondContact OG1-OE1 3.49Å; T1957-E2371 PolarHBondContact OG1-OE2 3.36Å; S1958-E2371 PolarHBondContact N-OE2 2.86Å; S1958-E2371 PolarHBondContact OG-OE2 3.45Å; M1959-E2371 HydrophobicContact CE-CG 3.41Å; M1959-E2371 VanDerWaalsContact CE-CG 3.41Å; M1959-E2371 HydrophobicContact CG-CG 4.33Å; I2359-E2371 HydrophobicContact CG2-CG 4.39Å; V2362-E2371 HydrophobicContact CG1-CB 4.06Å; R2363-E2371 IonicContact CZ-OE1 2.69Å; R2363-E2371 IonicContact NE-OE1 3.59Å; R2363-E2371 PolarHBondContact NE-OE1 3.49Å; R2363-E2371 IonicContact NH2-OE1 2.99Å; R2363-E2371 PolarHBondContact NH2-OE1 3.15Å; D2367-E2371 PolarHBondContact O-N 2.96Å; D2367-E2371 VanDerWaalsContact O-N 3.17Å; F2368-E2371 WeakPolarHBondContact O-CB 3.39Å; F2368-E2371 PolarHBondContact O-N 2.99Å; M2369-E2371 VanDerWaalsContact C-N 3.27Å; M2369-E2371 PolarHBondContact O-N 3.29Å; E2371-F2375 VanDerWaalsContact O-CB 3.31Å; E2371-F2375 WeakPolarHBondContact O-CB 3.32Å; E2371-F2375 PolarHBondContact O-N 3.41Å; E2371-F2375 VanDerWaalsContact O-N 3.15Å
2372Q87.1Confident85.9Confident35 Ų3531.4 Ų31.416%0.16416%0.156CC..Hα-helixtrans-66.2-40.2-179.9-66.5176.913.200112.1Y1352 S1958 F2368 M2369 F2375 A2376Y1352-Q2372 HydrophobicContact CD2-CG 4.01Å; Y1352-Q2372 HydrophobicContact CE2-CG 4.03Å; S1958-Q2372 WeakPolarHBondContact OG-CG 2.95Å; S1958-Q2372 PolarHBondContact OG-NE2 2.87Å; S1958-Q2372 VanDerWaalsContact OG-NE2 3.16Å; F2368-Q2372 WeakPolarHBondContact O-CG 3.25Å; F2368-Q2372 PolarHBondContact O-N 3.49Å; M2369-Q2372 PolarHBondContact O-N 3.37Å; Q2372-F2375 PolarHBondContact O-N 3.29Å; Q2372-A2376 WeakPolarHBondContact O-CB 3.27Å; Q2372-A2376 PolarHBondContact O-N 2.87Å
2373D84.8Confident86.1Confident27 Ų2740.6 Ų40.614%0.14419%0.191CC..Hα-helixtrans-68.5-46.4-178.7-83.5-31.7000113.2Y1334 M2369 L2370 F2375 A2376 K2377Y1334-D2373 HydrophobicContact CD1-CB 4.44Å; Y1334-D2373 HydrophobicContact CE1-CB 3.59Å; Y1334-D2373 WeakPolarHBondContact CE1-OD2 3.47Å; Y1334-D2373 HydrophobicContact CE2-CB 4.03Å; Y1334-D2373 VanDerWaalsContact CZ-CG 3.43Å; Y1334-D2373 VanDerWaalsContact OH-CB 3.22Å; Y1334-D2373 WeakPolarHBondContact OH-CB 3.19Å; Y1334-D2373 PolarHBondContact OH-OD1 3Å; M2369-D2373 PolarHBondContact O-N 3.39Å; M2369-D2373 VanDerWaalsContact O-N 3.12Å; L2370-D2373 PolarHBondContact O-N 3.37Å; D2373-F2375 VanDerWaalsContact C-N 3.27Å; D2373-F2375 PolarHBondContact O-N 3.14Å; D2373-A2376 WeakPolarHBondContact O-CB 3.43Å; D2373-A2376 PolarHBondContact O-N 3.43Å; D2373-K2377 PolarHBondContact O-N 2.95Å
2374L87.5Confident86.2Confident10 Ų1040.7 Ų40.75%0.05219%0.193CC..Hα-helixtrans-64-35.4174.2-71.6174.5000111.6I1330 D2358 I2359 V2362 L2370 K2377 L2378I1330-L2374 HydrophobicContact CG2-CD1 4.2Å; D2358-L2374 HydrophobicContact CB-CD1 4.09Å; I2359-L2374 HydrophobicContact CD1-CB 4.33Å; I2359-L2374 HydrophobicContact CG1-CB 3.71Å; I2359-L2374 HydrophobicContact CG1-CD1 4.39Å; V2362-L2374 HydrophobicContact CG2-CD1 3.97Å; L2370-L2374 HydrophobicContact CD1-CG 4.33Å; L2370-L2374 HydrophobicContact CG-CD1 4.13Å; L2370-L2374 HydrophobicContact CG-CG 4.38Å; L2370-L2374 WeakPolarHBondContact O-CB 3.38Å; L2370-L2374 VanDerWaalsContact O-CG 3.29Å; L2370-L2374 WeakPolarHBondContact O-CG 3.4Å; L2370-L2374 PolarHBondContact O-N 3.01Å; L2374-K2377 WeakPolarHBondContact O-CB 3.41Å; L2374-K2377 PolarHBondContact O-N 2.89Å; L2374-L2378 PolarHBondContact O-N 3.28Å
2375F89.4Confident86.7Confident1 Ų140.4 Ų40.40%0.00420%0.197CC..Hα-helixtrans-68.2-39.7174.1-177.7-113.2000112.6M1959 D1963 M1967 I2359 E2371 Q2372 D2373 K2377 L2378 I2379M1959-F2375 HydrophobicContact CE-CB 3.51Å; M1959-F2375 HydrophobicContact CE-CD1 4.42Å; M1959-F2375 HydrophobicContact CE-CD2 3.92Å; M1959-F2375 HydrophobicContact CE-CG 3.71Å; M1959-F2375 HydrophobicContact SD-CB 4.48Å; M1959-F2375 HydrophobicContact SD-CD1 4.37Å; M1959-F2375 HydrophobicContact SD-CD2 4.08Å; M1959-F2375 HydrophobicContact SD-CE2 4.41Å; M1959-F2375 HydrophobicContact SD-CG 4.06Å; D1963-F2375 HydrophobicContact CB-CE1 3.62Å; D1963-F2375 HydrophobicContact CB-CZ 3.65Å; D1963-F2375 WeakPolarHBondContact O-CZ 3.43Å; M1967-F2375 HydrophobicContact CB-CD2 4.18Å; M1967-F2375 HydrophobicContact CB-CE2 3.82Å; M1967-F2375 HydrophobicContact CG-CD2 4.19Å; M1967-F2375 HydrophobicContact CG-CE2 4.32Å; I2359-F2375 HydrophobicContact CD1-CB 4.48Å; E2371-F2375 VanDerWaalsContact O-CB 3.31Å; E2371-F2375 WeakPolarHBondContact O-CB 3.32Å; E2371-F2375 PolarHBondContact O-N 3.41Å; E2371-F2375 VanDerWaalsContact O-N 3.15Å; Q2372-F2375 PolarHBondContact O-N 3.29Å; D2373-F2375 VanDerWaalsContact C-N 3.27Å; D2373-F2375 PolarHBondContact O-N 3.14Å; F2375-K2377 VanDerWaalsContact C-N 3.32Å; F2375-K2377 PolarHBondContact O-N 3.38Å; F2375-L2378 PolarHBondContact O-N 3.47Å; F2375-I2379 HydrophobicContact CD1-CD1 3.82Å; F2375-I2379 HydrophobicContact CE1-CD1 3.27Å; F2375-I2379 HydrophobicContact CE1-CG1 4.2Å; F2375-I2379 HydrophobicContact CE2-CD1 4.2Å; F2375-I2379 HydrophobicContact CE2-CG1 4.31Å; F2375-I2379 HydrophobicContact CG-CD1 4.49Å; F2375-I2379 HydrophobicContact CZ-CD1 3.5Å; F2375-I2379 VanDerWaalsContact CZ-CD1 3.5Å; F2375-I2379 HydrophobicContact CZ-CG1 4.08Å; F2375-I2379 WeakPolarHBondContact O-CG1 3.34Å; F2375-I2379 PolarHBondContact O-N 2.96Å
2376A87.2Confident87Confident3 Ų341.4 Ų41.43%0.02521%0.206CC..Hα-helixtrans-61.3-41.1172.700000111.6A1355 Q2372 D2373 I2379 F2380A1355-A2376 WeakPolarHBondContact O-CB 3.43Å; Q2372-A2376 WeakPolarHBondContact O-CB 3.27Å; Q2372-A2376 PolarHBondContact O-N 2.87Å; D2373-A2376 WeakPolarHBondContact O-CB 3.43Å; D2373-A2376 PolarHBondContact O-N 3.43Å; A2376-I2379 PolarHBondContact O-N 3.37Å; A2376-F2380 PolarHBondContact O-N 3.5Å
2377K87Confident87.1Confident8 Ų835.9 Ų35.94%0.03518%0.182CC..Hα-helixtrans-58.3-47.8172.4-170.1175179.1170.90111.7M1363 F1364 Y1366 D2373 L2374 F2375 F2380 L2381M1363-K2377 HydrophobicContact CE-CB 3.6Å; M1363-K2377 HydrophobicContact CE-CD 4.31Å; M1363-K2377 HydrophobicContact CE-CG 3.95Å; F1364-K2377 HydrophobicContact CE1-CD 4.46Å; F1364-K2377 HydrophobicContact CE1-CG 3.67Å; F1364-K2377 HydrophobicContact CZ-CG 3.66Å; F1364-K2377 WeakPolarHBondContact CZ-O 3.29Å; Y1366-K2377 PolarHBondContact OH-NZ 3.17Å; D2373-K2377 PolarHBondContact O-N 2.95Å; L2374-K2377 WeakPolarHBondContact O-CB 3.41Å; L2374-K2377 PolarHBondContact O-N 2.89Å; F2375-K2377 VanDerWaalsContact C-N 3.32Å; F2375-K2377 PolarHBondContact O-N 3.38Å; K2377-F2380 PolarHBondContact O-N 2.92Å; K2377-L2381 PolarHBondContact O-N 2.98Å; K2377-L2381 VanDerWaalsContact O-N 3.11Å
2378L88.9Confident87.2Confident0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-61-47178.3-171.766.7000111.6F1970 I2355 I2359 L2374 F2375 F2380 L2381 F2382F1970-L2378 HydrophobicContact CB-CD2 4.39Å; F1970-L2378 HydrophobicContact CD2-CD2 4.01Å; F1970-L2378 HydrophobicContact CD2-CG 4.48Å; I2355-L2378 HydrophobicContact CB-CD1 4.42Å; I2355-L2378 HydrophobicContact CG2-CB 4.12Å; I2355-L2378 HydrophobicContact CG2-CD1 4.02Å; I2359-L2378 HydrophobicContact CD1-CD2 4.16Å; L2374-L2378 PolarHBondContact O-N 3.28Å; F2375-L2378 PolarHBondContact O-N 3.47Å; L2378-F2380 VanDerWaalsContact C-N 3.35Å; L2378-F2380 PolarHBondContact O-N 3.49Å; L2378-L2381 PolarHBondContact O-N 3.43Å; L2378-F2382 HydrophobicContact CD1-CD2 4.15Å; L2378-F2382 HydrophobicContact CD1-CE2 3.74Å; L2378-F2382 HydrophobicContact CG-CD2 4.1Å; L2378-F2382 HydrophobicContact CG-CE2 4.02Å; L2378-F2382 WeakPolarHBondContact O-CD2 3.42Å; L2378-F2382 PolarHBondContact O-N 3.49Å; L2378-F2382 VanDerWaalsContact O-N 3.15Å
2379I89.4Confident87.2Confident41 Ų4136.9 Ų36.921%0.2119%0.19CC..Hα-helixtrans-58.8-45.4177.5-76.3177.8000111.3K1356 F2375 A2376 L2381 F2382 R2383K1356-I2379 HydrophobicContact CG-CD1 4.03Å; F2375-I2379 HydrophobicContact CD1-CD1 3.82Å; F2375-I2379 HydrophobicContact CE1-CD1 3.27Å; F2375-I2379 HydrophobicContact CE1-CG1 4.2Å; F2375-I2379 HydrophobicContact CE2-CD1 4.2Å; F2375-I2379 HydrophobicContact CE2-CG1 4.31Å; F2375-I2379 HydrophobicContact CG-CD1 4.49Å; F2375-I2379 HydrophobicContact CZ-CD1 3.5Å; F2375-I2379 VanDerWaalsContact CZ-CD1 3.5Å; F2375-I2379 HydrophobicContact CZ-CG1 4.08Å; F2375-I2379 WeakPolarHBondContact O-CG1 3.34Å; F2375-I2379 PolarHBondContact O-N 2.96Å; A2376-I2379 PolarHBondContact O-N 3.37Å; I2379-L2381 VanDerWaalsContact C-N 3.32Å; I2379-L2381 PolarHBondContact O-N 3.26Å; I2379-F2382 PolarHBondContact O-N 3.41Å; I2379-R2383 WeakPolarHBondContact O-CB 3.45Å; I2379-R2383 PolarHBondContact O-N 3.13Å
2380F88.7Confident87.1Confident24 Ų2437 Ų3711%0.10519%0.189CC..Hα-helixtrans-63.2-41.3-178.9-176.1-87.7000111.9G1359 Y1361 F1364 A2376 K2377 L2378 F2382 R2383 S2384 T2387G1359-F2380 WeakPolarHBondContact O-CD2 3.44Å; G1359-F2380 WeakPolarHBondContact O-CE2 3.45Å; Y1361-F2380 HydrophobicContact CD1-CE1 4.23Å; Y1361-F2380 HydrophobicContact CD1-CZ 4.17Å; Y1361-F2380 AromaticContact CD2-CZ 3.97Å; Y1361-F2380 HydrophobicContact CD2-CZ 3.97Å; Y1361-F2380 HydrophobicContact CE1-CE1 4.46Å; Y1361-F2380 HydrophobicContact CE1-CZ 4.27Å; Y1361-F2380 HydrophobicContact CE2-CZ 4.06Å; Y1361-F2380 HydrophobicContact CG-CE1 4.38Å; Y1361-F2380 HydrophobicContact CG-CZ 4.02Å; F1364-F2380 AromaticContact CD2-CD1 3.9Å; F1364-F2380 HydrophobicContact CD2-CD1 3.9Å; F1364-F2380 AromaticContact CD2-CE1 3.93Å; F1364-F2380 HydrophobicContact CD2-CE1 3.93Å; F1364-F2380 HydrophobicContact CE2-CB 4.29Å; F1364-F2380 AromaticContact CE2-CD1 3.09Å; F1364-F2380 HydrophobicContact CE2-CD1 3.09Å; F1364-F2380 AromaticContact CE2-CE1 3.58Å; F1364-F2380 HydrophobicContact CE2-CE1 3.58Å; F1364-F2380 AromaticContact CE2-CG 3.97Å; F1364-F2380 HydrophobicContact CE2-CG 3.97Å; F1364-F2380 HydrophobicContact CZ-CB 4.26Å; F1364-F2380 AromaticContact CZ-CD1 3.71Å; F1364-F2380 HydrophobicContact CZ-CD1 3.71Å; F1364-F2380 HydrophobicContact CZ-CG 4.4Å; A2376-F2380 PolarHBondContact O-N 3.5Å; K2377-F2380 PolarHBondContact O-N 2.92Å; L2378-F2380 VanDerWaalsContact C-N 3.35Å; L2378-F2380 PolarHBondContact O-N 3.49Å; F2380-F2382 VanDerWaalsContact C-N 3.32Å; F2380-F2382 PolarHBondContact O-N 3.12Å; F2380-R2383 WeakPolarHBondContact O-CA 3.28Å; F2380-R2383 WeakPolarHBondContact O-CB 3.25Å; F2380-R2383 PolarHBondContact O-N 3.32Å; F2380-S2384 PolarHBondContact O-N 2.9Å; F2380-T2387 HydrophobicContact CE1-CG2 4.49Å
2381L87.4Confident86.9Confident0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-62.3-41.7178.8-166.3152.1000111.1F1364 L2352 K2377 L2378 I2379 R2383 S2384 L2388 W2391F1364-L2381 HydrophobicContact CD1-CD1 4.01Å; F1364-L2381 HydrophobicContact CE1-CB 3.91Å; F1364-L2381 HydrophobicContact CE1-CD1 3.63Å; F1364-L2381 HydrophobicContact CE1-CG 4.17Å; F1364-L2381 HydrophobicContact CZ-CB 4.06Å; L2352-L2381 HydrophobicContact CD2-CD1 4.08Å; L2352-L2381 HydrophobicContact CD2-CD2 3.43Å; L2352-L2381 VanDerWaalsContact CD2-CD2 3.43Å; L2352-L2381 HydrophobicContact CD2-CG 4.4Å; K2377-L2381 PolarHBondContact O-N 2.98Å; K2377-L2381 VanDerWaalsContact O-N 3.11Å; L2378-L2381 PolarHBondContact O-N 3.43Å; I2379-L2381 VanDerWaalsContact C-N 3.32Å; I2379-L2381 PolarHBondContact O-N 3.26Å; L2381-R2383 VanDerWaalsContact C-N 3.28Å; L2381-R2383 PolarHBondContact O-N 3.07Å; L2381-S2384 PolarHBondContact O-N 3.12Å; L2381-L2388 HydrophobicContact CD2-CB 3.86Å; L2381-L2388 HydrophobicContact CD2-CD1 3.28Å; L2381-L2388 HydrophobicContact CD2-CG 4.1Å; L2381-W2391 HydrophobicContact CD1-CB 4.35Å; L2381-W2391 HydrophobicContact CD1-CD2 3.72Å; L2381-W2391 HydrophobicContact CD1-CE3 3.29Å; L2381-W2391 HydrophobicContact CD1-CG 4.19Å; L2381-W2391 HydrophobicContact CD1-CZ3 3.84Å
2382F87.6Confident86.8Confident22 Ų2237.4 Ų37.410%0.09619%0.19CC..Hα-helixtrans-69.9-21.2172.5-79.9-70000113.9F1970 I1974 F2343 L2378 I2379 F2380F1970-F2382 HydrophobicContact CB-CE2 4.04Å; F1970-F2382 HydrophobicContact CB-CZ 4.39Å; F1970-F2382 HydrophobicContact CD1-CD1 4.48Å; F1970-F2382 AromaticContact CD1-CD2 3.92Å; F1970-F2382 HydrophobicContact CD1-CD2 3.92Å; F1970-F2382 HydrophobicContact CD1-CE1 4.28Å; F1970-F2382 AromaticContact CD1-CE2 3.68Å; F1970-F2382 HydrophobicContact CD1-CE2 3.68Å; F1970-F2382 HydrophobicContact CD1-CG 4.32Å; F1970-F2382 AromaticContact CD1-CZ 3.88Å; F1970-F2382 HydrophobicContact CD1-CZ 3.88Å; F1970-F2382 HydrophobicContact CD2-CD2 4.32Å; F1970-F2382 HydrophobicContact CD2-CE2 4.28Å; F1970-F2382 HydrophobicContact CE1-CD1 4.33Å; F1970-F2382 AromaticContact CE1-CD2 3.93Å; F1970-F2382 HydrophobicContact CE1-CD2 3.93Å; F1970-F2382 HydrophobicContact CE1-CE2 4.18Å; F1970-F2382 HydrophobicContact CE1-CG 4.02Å; F1970-F2382 HydrophobicContact CE1-CZ 4.49Å; F1970-F2382 HydrophobicContact CE2-CD2 4.32Å; F1970-F2382 HydrophobicContact CG-CD2 4.13Å; F1970-F2382 AromaticContact CG-CE2 3.75Å; F1970-F2382 HydrophobicContact CG-CE2 3.75Å; F1970-F2382 HydrophobicContact CG-CZ 4.27Å; F1970-F2382 HydrophobicContact CZ-CD2 4.14Å; F1970-F2382 HydrophobicContact CZ-CG 4.37Å; I1974-F2382 HydrophobicContact CD1-CE2 4.3Å; I1974-F2382 HydrophobicContact CD1-CZ 4Å; I1974-F2382 HydrophobicContact CG1-CZ 4.3Å; F2343-F2382 AromaticContact CD1-CD1 3.59Å; F2343-F2382 HydrophobicContact CD1-CD1 3.59Å; F2343-F2382 AromaticContact CD1-CE1 3.81Å; F2343-F2382 HydrophobicContact CD1-CE1 3.81Å; F2343-F2382 AromaticContact CE1-CD1 3.56Å; F2343-F2382 HydrophobicContact CE1-CD1 3.56Å; F2343-F2382 HydrophobicContact CE1-CE1 4.26Å; L2378-F2382 HydrophobicContact CD1-CD2 4.15Å; L2378-F2382 HydrophobicContact CD1-CE2 3.74Å; L2378-F2382 HydrophobicContact CG-CD2 4.1Å; L2378-F2382 HydrophobicContact CG-CE2 4.02Å; L2378-F2382 WeakPolarHBondContact O-CD2 3.42Å; L2378-F2382 PolarHBondContact O-N 3.49Å; L2378-F2382 VanDerWaalsContact O-N 3.15Å; I2379-F2382 PolarHBondContact O-N 3.41Å; F2380-F2382 VanDerWaalsContact C-N 3.32Å; F2380-F2382 PolarHBondContact O-N 3.12Å
2383R88Confident86.5Confident193 Ų19341.7 Ų41.773%0.72821%0.205SC*.Hα-helixtrans-80.9-25.3176.7-168.8178.1179.9-172.2-2.2113.2I2379 F2380 L2381I2379-R2383 WeakPolarHBondContact O-CB 3.45Å; I2379-R2383 PolarHBondContact O-N 3.13Å; F2380-R2383 WeakPolarHBondContact O-CA 3.28Å; F2380-R2383 WeakPolarHBondContact O-CB 3.25Å; F2380-R2383 PolarHBondContact O-N 3.32Å; L2381-R2383 VanDerWaalsContact C-N 3.28Å; L2381-R2383 PolarHBondContact O-N 3.07Å
2384S88Confident85.7Confident13 Ų1346.3 Ų46.39%0.09123%0.227CC..  trans-117.198.5-178.5177.20000112.2F2380 L2381 A2386 T2387 L2388F2380-S2384 PolarHBondContact O-N 2.9Å; L2381-S2384 PolarHBondContact O-N 3.12Å; S2384-A2386 PolarHBondContact O-N 2.89Å; S2384-T2387 VanDerWaalsContact CB-OG1 3.23Å; S2384-T2387 WeakPolarHBondContact CB-OG1 3.22Å; S2384-T2387 PolarHBondContact O-N 3.27Å; S2384-T2387 PolarHBondContact O-OG1 2.68Å; S2384-T2387 PolarHBondContact OG-OG1 2.71Å; S2384-L2388 PolarHBondContact O-N 3.5Å; S2384-L2388 VanDerWaalsContact O-N 3.08Å
2385P86.7Confident84.2Confident63 Ų6348.3 Ų48.341%0.40924%0.242SC..Hα-helixtrans-57.8-33.3-179.1-18.926.4000113.6M2342 L2388 I2389M2342-P2385 HydrophobicContact CE-CB 4.02Å; M2342-P2385 HydrophobicContact CE-CG 3.69Å; P2385-L2388 PolarHBondContact O-N 3.23Å; P2385-I2389 VanDerWaalsContact O-CG1 3.29Å; P2385-I2389 WeakPolarHBondContact O-CG1 3.46Å; P2385-I2389 PolarHBondContact O-N 2.81Å
2386A86Confident82.6Confident70 Ų7057.1 Ų57.158%0.57928%0.28SS*.Hα-helixtrans-63.6-47.5179.100000111.3S2384 I2389 E2390S2384-A2386 PolarHBondContact O-N 2.89Å; A2386-I2389 PolarHBondContact O-N 3.25Å; A2386-E2390 PolarHBondContact O-N 3.08Å; A2386-E2390 VanDerWaalsContact O-N 3.09Å
2387T85.8Confident80.3Confident10 Ų1063.7 Ų63.76%0.06131%0.308CS..Hα-helixtrans-67.2-38.5177.459.30000112.1Y1361 F2380 S2384 I2389 E2390 W2391Y1361-T2387 HydrophobicContact CD1-CG2 3.63Å; Y1361-T2387 HydrophobicContact CE1-CG2 3.68Å; F2380-T2387 HydrophobicContact CE1-CG2 4.49Å; S2384-T2387 VanDerWaalsContact CB-OG1 3.23Å; S2384-T2387 WeakPolarHBondContact CB-OG1 3.22Å; S2384-T2387 PolarHBondContact O-N 3.27Å; S2384-T2387 PolarHBondContact O-OG1 2.68Å; S2384-T2387 PolarHBondContact OG-OG1 2.71Å; T2387-I2389 PolarHBondContact O-N 3.46Å; T2387-E2390 PolarHBondContact O-N 3.04Å; T2387-W2391 VanDerWaalsContact O-CB 3.28Å; T2387-W2391 WeakPolarHBondContact O-CB 3.25Å; T2387-W2391 PolarHBondContact O-N 2.78Å
2388L87.4Confident78.1Confident1 Ų169.8 Ų69.81%0.00533%0.334CS..Hα-helixtrans-59.4-44.6175.4172.861.9000111.8M2342 F2343 L2346 L2352 L2381 S2384 P2385 T2392M2342-L2388 WeakPolarHBondContact O-CD2 3.49Å; F2343-L2388 HydrophobicContact CD1-CD2 4.09Å; F2343-L2388 HydrophobicContact CE1-CD2 4.38Å; L2346-L2388 HydrophobicContact CD1-CD1 4.21Å; L2346-L2388 HydrophobicContact CD2-CD1 3.81Å; L2346-L2388 HydrophobicContact CD2-CD2 4.13Å; L2346-L2388 HydrophobicContact CD2-CG 3.87Å; L2352-L2388 HydrophobicContact CD1-CD1 3.93Å; L2352-L2388 HydrophobicContact CD2-CD1 4.3Å; L2381-L2388 HydrophobicContact CD2-CB 3.86Å; L2381-L2388 HydrophobicContact CD2-CD1 3.28Å; L2381-L2388 HydrophobicContact CD2-CG 4.1Å; S2384-L2388 PolarHBondContact O-N 3.5Å; S2384-L2388 VanDerWaalsContact O-N 3.08Å; P2385-L2388 PolarHBondContact O-N 3.23Å; L2388-T2392 HydrophobicContact CD1-CG2 3.92Å; L2388-T2392 WeakPolarHBondContact O-CB 3.32Å; L2388-T2392 VanDerWaalsContact O-CG2 3.27Å; L2388-T2392 WeakPolarHBondContact O-CG2 3.49Å; L2388-T2392 PolarHBondContact O-N 3.21Å; L2388-T2392 VanDerWaalsContact O-N 3.15Å; L2388-T2392 PolarHBondContact O-OG1 3.19Å
2389I86.1Confident75.7Confident115 Ų11578.1 Ų78.159%0.5937%0.374SS*.Hα-helixtrans-66.6-43.9178.2-69.3166.8000111.3P2385 A2386 T2387 W2391 T2392 R2393P2385-I2389 VanDerWaalsContact O-CG1 3.29Å; P2385-I2389 WeakPolarHBondContact O-CG1 3.46Å; P2385-I2389 PolarHBondContact O-N 2.81Å; A2386-I2389 PolarHBondContact O-N 3.25Å; T2387-I2389 PolarHBondContact O-N 3.46Å; I2389-W2391 VanDerWaalsContact C-N 3.3Å; I2389-W2391 PolarHBondContact O-N 3.38Å; I2389-T2392 PolarHBondContact O-N 3.25Å; I2389-R2393 PolarHBondContact O-N 2.97Å
2390E82.8Confident73.1Confident136 Ų13686.1 Ų86.164%0.63641%0.41SS*.Hα-helixtrans-60.8-41.7179.2-175.4171.3-168.200111.7A2386 T2387A2386-E2390 PolarHBondContact O-N 3.08Å; A2386-E2390 VanDerWaalsContact O-N 3.09Å; T2387-E2390 PolarHBondContact O-N 3.04Å
2391W81.7Confident72.4Confident12 Ų1289.3 Ų89.35%0.04543%0.425CS..Hα-helixtrans-79-16.6-177-147.763.9000114.2H2351 L2352 I2355 L2381 T2387 I2389H2351-W2391 HydrophobicContact CB-CD2 4.19Å; H2351-W2391 HydrophobicContact CB-CE3 3.71Å; H2351-W2391 HydrophobicContact CB-CH2 3.61Å; H2351-W2391 HydrophobicContact CB-CZ2 4.11Å; H2351-W2391 HydrophobicContact CB-CZ3 3.42Å; H2351-W2391 VanDerWaalsContact CB-CZ3 3.42Å; H2351-W2391 PolarHBondContact CD2-O 3.34Å; H2351-W2391 VanDerWaalsContact O-CH2 3.28Å; H2351-W2391 WeakPolarHBondContact O-CH2 2.99Å; H2351-W2391 WeakPolarHBondContact O-CZ3 3.35Å; L2352-W2391 HydrophobicContact CD2-CE3 4.01Å; L2352-W2391 HydrophobicContact CD2-CZ3 3.9Å; L2352-W2391 HydrophobicContact CG-CZ3 4.39Å; I2355-W2391 HydrophobicContact CD1-CH2 3.21Å; I2355-W2391 HydrophobicContact CD1-CZ2 4.15Å; I2355-W2391 HydrophobicContact CD1-CZ3 3.48Å; I2355-W2391 VanDerWaalsContact CD1-CZ3 3.48Å; I2355-W2391 HydrophobicContact CG1-CH2 3.7Å; I2355-W2391 HydrophobicContact CG1-CZ3 4.22Å; L2381-W2391 HydrophobicContact CD1-CB 4.35Å; L2381-W2391 HydrophobicContact CD1-CD2 3.72Å; L2381-W2391 HydrophobicContact CD1-CE3 3.29Å; L2381-W2391 HydrophobicContact CD1-CG 4.19Å; L2381-W2391 HydrophobicContact CD1-CZ3 3.84Å; T2387-W2391 VanDerWaalsContact O-CB 3.28Å; T2387-W2391 WeakPolarHBondContact O-CB 3.25Å; T2387-W2391 PolarHBondContact O-N 2.78Å; I2389-W2391 VanDerWaalsContact C-N 3.3Å; I2389-W2391 PolarHBondContact O-N 3.38Å
2392T86.1Confident71.6Confident2 Ų293.9 Ų93.91%0.01245%0.448CS..Hα-helixtrans-109.34.7-177.257.80000114.5L2346 P2347 N2348 L2352 L2388 I2389L2346-T2392 HydrophobicContact CD2-CG2 4.17Å; P2347-T2392 WeakPolarHBondContact CD-O 3.24Å; P2347-T2392 VanDerWaalsContact CG-O 3.28Å; P2347-T2392 WeakPolarHBondContact CG-O 3.31Å; N2348-T2392 WeakPolarHBondContact CB-O 3.37Å; N2348-T2392 PolarHBondContact N-O 3.35Å; N2348-T2392 VanDerWaalsContact N-O 3.09Å; N2348-T2392 VanDerWaalsContact O-CB 3.3Å; N2348-T2392 WeakPolarHBondContact O-CB 3.02Å; N2348-T2392 WeakPolarHBondContact O-CG2 3.27Å; L2352-T2392 HydrophobicContact CD1-CG2 3.98Å; L2352-T2392 HydrophobicContact CG-CG2 4.25Å; L2388-T2392 HydrophobicContact CD1-CG2 3.92Å; L2388-T2392 WeakPolarHBondContact O-CB 3.32Å; L2388-T2392 VanDerWaalsContact O-CG2 3.27Å; L2388-T2392 WeakPolarHBondContact O-CG2 3.49Å; L2388-T2392 PolarHBondContact O-N 3.21Å; L2388-T2392 VanDerWaalsContact O-N 3.15Å; L2388-T2392 PolarHBondContact O-OG1 3.19Å; I2389-T2392 PolarHBondContact O-N 3.25Å
2393R79.1Confident70.7Confident124 Ų12497.9 Ų97.947%0.46847%0.467SS..  trans-67.7145.8-179.6-176.1173.7170.7176.8-5.3112.4I2389 K2397I2389-R2393 PolarHBondContact O-N 2.97Å; R2393-K2397 PolarHBondContact NH2-O 3.35Å; R2393-K2397 VanDerWaalsContact NH2-O 3.14Å
2394M69Low69.7Low125 Ų12592.4 Ų92.462%0.61645%0.452SS*.  trans-75.7127.6172.5-69.9-92.8-86.900111.3P2347 K2396P2347-M2394 HydrophobicContact CB-CG 3.97Å; M2394-K2396 VanDerWaalsContact C-N 3.31Å; M2394-K2396 PolarHBondContact O-N 3.39Å; M2394-K2396 VanDerWaalsContact O-N 3.14Å
2395S57.1Low68.5Low51 Ų5197.3 Ų97.336%0.35747%0.474SS..G310 helixtrans-52.2-32-172.3-173.40000116.7E1369 K2397 K2398E1369-S2395 WeakPolarHBondContact OE1-CB 3.42Å; E1369-S2395 PolarHBondContact OE1-OG 2.9Å; E1369-S2395 PolarHBondContact OE2-OG 2.91Å; S2395-K2397 PolarHBondContact O-N 2.8Å; S2395-K2398 PolarHBondContact O-N 3.38Å
2396K53.8Low67.3Low186 Ų18699.6 Ų99.681%0.80948%0.479SS*.G310 helixtrans-63.7-1.9-167.1-75.8-173.7175.4-179.60117.1M2394M2394-K2396 VanDerWaalsContact C-N 3.31Å; M2394-K2396 PolarHBondContact O-N 3.39Å; M2394-K2396 VanDerWaalsContact O-N 3.14Å
2397K40.6Very low66Low141 Ų141101.7 Ų101.761%0.61347%0.472SS*.G310 helixtrans-118.310.1-174.4-126.2-172.9-171.7-172.20114.8R2393 S2395R2393-K2397 PolarHBondContact NH2-O 3.35Å; R2393-K2397 VanDerWaalsContact NH2-O 3.14Å; S2395-K2397 PolarHBondContact O-N 2.8Å
2398K40.3Very low64.4Low136 Ų136108.8 Ų108.859%0.59150%0.503SS*.SBendtrans-106.3-10.4171.5-96.2-177.7175179.60112.6S2395S2395-K2398 PolarHBondContact O-N 3.38Å
2399Q37.3Very low62.5Low176 Ų176117.8 Ų117.882%0.82255%0.545SS*.  trans-98.2-13175.1-76.4178.8-14.100113.6
2400E36.4Very low60.4Low209 Ų209118 Ų11898%0.97754%0.541SS*.  trans-85.40161.2-70.6-179.6167.600109.2

Retrieved 2,400 of 2,400 residues in 1684.3 ms (Link to these results)

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