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Isoform f 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 A0A061ACU2-7 (canonical: A0A061ACU2), Species CAEEL (Caenorhabditis elegans), Gene pezo-1, Length 2,402 aa.

>PIEZ1_CAEEL|A0A061ACU2-7|pezo-1
MTVPPLLKSCVVKLLLPAALLAAAIIRPSFLSIGYVLLALVSAVLPPIRKSLALPKLVGTFVIITFLFCLAVALGVGSYQISEQVVHKNDRTYICNRSDTTLFRSIGLVRFHPTGTFESTRAFLPEIIATSAALLTIIIVMFLSHRDEQLDVVGDVVTVRSESGREQRRQRKLAAIMWSAIGNSLRRLTNFVLFLFTAYVGIVKPSLSNSIYFLAFLFISTWWSTYTPLRHGVYNQIKKFLIFYSALHFLVLYTYQIPIVHHSWLPTGSFLPRLFGLTVLMDSSCPEWWKFPFVAPDFNDDDLIMKWPLYANPIVVLVFFYLTVAQYKFTRNGSREYIDDNEYGSSVHEELLSNASSSANDDEQGRARSRSPLRNGEEQGSIPLRKVTSQVVDRNKLSNIFNTPGDKESAASKGMIAVMTFVIFHSYSIALTAMMTWALLYHSIFGLILLILTCILWIFRDTRKSSFAMAPIILMYIEFLLILQYFLSMDIHAEIGDPAWMNFVGIEWTTLPVHAVIILCVQTLLTLPVFLLLRLARREKFYESLSDYERQRRINSYGTFGASKTGAGGVAVAKFQDPKSRKFAAFVEYLSNKVSVYFIFVVSVVLLVVSTCFAPNFYNILFFALWALNLIYLKFSFRLYRGLAYAFWLTLTFYTSIVIIALYIYQFPGVSQWIIRNTSLSQEWLNAIGLVDFRAIGESGALFLQLLAPIALFVVTMLQLKFFHGPWSRATSPRRAENDPPTSTTEAAAVASTSGTQGRAHAAGDTLVKKLHKLANQTIELLWRFFEVHISKIVFVIIAIFIANNINALYIPLVILLSLAICLPSAADGIFSLFMCAYLFLVALSKMIYQLDIVPELSQIDRGVGADNCSHGNISMPEWFGLKKEVEGTEPIYMLFGVIVSIIALAFQSIVIYRQRHYRASLGLPESMRAKVFPDFHHSHFDRSLKNAIQFLIDYGFYKFGLEITMIAIGIDIFNRMDALAAIQCFWLVLFALNKRVFVRRIWVFYVIYMAILYPLQFFSYVGLPPDSCIEYPWSYWIPSYSDDARFNLSYLLNLSIYGVNWPSAYLIGDFFVLLLASCQLAVFRREGEDNDSIYNDGNFVIKPENPQYDFIDTKKSYVDYFKSFVFHYGHWITLMSTLAAGIAGTSLFALGYIIFTLTMLWSGNNLYVMNSTLRSFEHTLKRWNALLGYTLFTITMKVCLQIFGCVFLSWFDQSGGWGKTLCIVRQLFSITCVNNECHVLKELEDFSKACAVETKEGNIGFDVIALSFLVFQIRIFHSWYFQHCMVEYRSEVILANRGAVLKNQLIEKEMKEQNEQQKAKFNDIRRRTEAIRERYQKQIERGAAERDFEPVTYGHAKRAGDYYMFKYDPENDDLVEPVDSFVPEVDPKATAYDRLDPGQIMYAATAHDLDLAKTVQQVKKGDTIKDPDSRALIAVSEPEARKPGGTEETDGDEDEDNKDSKVESTAKFIQKMIASALDLCSVTLNKLCREHRYVGFVLSKEKQKLKSGHSESLSNTSRKLTDIRSAVDLPSLQLVQSANDVEKMETAVSVDWQQKSSATRLLNAVVNCIGAHTDILCYFFAIMTQVMTGGLITLPLPLMSLFWGNLSNPRPSKFFWVTMITYTECVIVIKFVCQFAFMPYNSITWRTEHQMDPMSLDKLFGVSQRDSFALWDIVLLFSLFFHRYMLRKLGLWKDANLTDTFTLKEEPRSASGSDTGSPKKIAQEPKVVVTQSDTLEGTSGGEIVIPSDPNAVSNMEELDCEPPIPEKQSGPIGRFIHQLFHPKFRYIRDLYPIMFGIDVICFLIMTFGYSAFGEGGSGNVLDDVKASRIPVTLVVMLVGMTLAIIIDRALYLRKSVVGKLIYQVLMIAFLHIWVFLVLPNMTRRSAISNHVAQALYVIKSCYFLVSAWQIRNGYPELCIGNLLTHSYGMTNMIAFKVFMNIPFLFELRTAIDWTWTDTSMPLFDFFNMENFYAHIFNIKCARQFEAAYPAPRGIPKGKLVKYMMGFPIIIGVVIFIFSPLLLWSLLNQIGTISMPEKVTLRISIEGYPPLYEMEAQGSNHDNAELGMIKPDQLASLNQALTDSYTTRDTNSILRSRMSVSYLKGYTYEDILIVRFRPESEIYWPISQDSRNAMIDKLSRNTSVNFEVSLEFTRPYDPNENAALKHSKSWLVPISLDMTIRAKIQSALRGDPGHPILIPQSIPAFIQVPNQGELTLPTSIGNTIINDGNPRINTTGMEKSDEARAWFDSLTLNLEQGKSQNEKMWIATSEHPGDQNAKLWIKTANTTYSGRPYLQVVGFIDRAFPSFLAKVFKGGVIAVYLSVILVVGRGLVRGIFTTSPSTVMFTELPNADHLLKICLDIYLVREAKDFMLEQDLFAKLIFLFRSPATLIEWTRMSKKKQE
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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
1M39.9Very low64.3Low206 Ų20669 Ų69100%1.01539%0.389SS*.  0138.60-82.7172.9165.100109.1L143M1-L143 HydrophobicContact CB-CD2 3.48Å; M1-L143 VanDerWaalsContact CB-CD2 3.48Å; M1-L143 WeakPolarHBondContact O-CD2 3.09Å
2T45.5Very low65.7Low94 Ų9463.7 Ų63.758%0.57736%0.359SS*.  trans-110.8131.2174.342.70000109.2R146T2-R146 HydrophobicContact CG2-CB 4.41Å
3V58.1Low66.4Low23 Ų2363.1 Ų63.114%0.13935%0.35CS..  trans-115.1128.3-171.4176.80000110.4L7 K8 I139 L143V3-L7 HydrophobicContact CG1-CB 3.98Å; V3-L7 HydrophobicContact CG1-CD2 3.68Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; V3-K8 HydrophobicContact CG1-CG 3.97Å; V3-I139 HydrophobicContact CG1-CG2 4.43Å; V3-L143 HydrophobicContact CG2-CB 3.93Å; V3-L143 HydrophobicContact CG2-CD1 4.1Å; V3-L143 HydrophobicContact CG2-CD2 3.98Å; V3-L143 HydrophobicContact CG2-CG 4.21Å
4P63.3Low67Low79 Ų7967.2 Ų67.251%0.51337%0.37SS..  trans-63.9141.9-179.424.2-32.7000111.6L6 L7 K8P4-L6 PolarHBondContact O-N 3.45Å; P4-L6 VanDerWaalsContact O-N 3.08Å; P4-L7 HydrophobicContact CG-CB 4.08Å; P4-L7 WeakPolarHBondContact O-CB 3.36Å; P4-L7 PolarHBondContact O-N 3.24Å; P4-K8 PolarHBondContact O-N 3.03Å
5P61.1Low68Low25 Ų2568.1 Ų68.116%0.16237%0.373CS..Hα-helixtrans-62.6-22.4-176.224.3-34.2000113.3S9 I48 K50P5-S9 WeakPolarHBondContact O-CB 3.3Å; P5-S9 PolarHBondContact O-N 3.08Å; P5-I48 HydrophobicContact CB-CG2 4.33Å; P5-K50 HydrophobicContact CG-CG 3.81Å
6L64.7Low69.2Low143 Ų14363.9 Ų63.975%0.74935%0.35SS*.Hα-helixtrans-66.4-40.9174.1-146.7161.2000111.1P4 S9 C10P4-L6 PolarHBondContact O-N 3.45Å; P4-L6 VanDerWaalsContact O-N 3.08Å; L6-S9 PolarHBondContact O-N 3.32Å; L6-C10 WeakPolarHBondContact O-CB 3.38Å; L6-C10 PolarHBondContact O-N 2.84Å
7L71.3Confident69.9Low90 Ų9060.2 Ų60.247%0.47133%0.33SS..Hα-helixtrans-67-46.4174.5-166.277.3000110.8V3 P4 S9 C10 V11V3-L7 HydrophobicContact CG1-CB 3.98Å; V3-L7 HydrophobicContact CG1-CD2 3.68Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; P4-L7 HydrophobicContact CG-CB 4.08Å; P4-L7 WeakPolarHBondContact O-CB 3.36Å; P4-L7 PolarHBondContact O-N 3.24Å; L7-S9 VanDerWaalsContact C-N 3.29Å; L7-S9 PolarHBondContact O-N 3.17Å; L7-C10 PolarHBondContact O-N 2.9Å; L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 3.5Å
8K75.6Confident70.6Confident8 Ų860 Ų604%0.03534%0.338CS..Hα-helixtrans-55-44.3174.4-63.2-167.7174.1-168.40111.8V3 P4 V12 I48 I139 L143V3-K8 HydrophobicContact CG1-CG 3.97Å; P4-K8 PolarHBondContact O-N 3.03Å; K8-V12 WeakPolarHBondContact O-CG2 3.48Å; K8-V12 PolarHBondContact O-N 3.08Å; K8-I48 HydrophobicContact CB-CD1 3.68Å; K8-I139 WeakPolarHBondContact CE-O 3.43Å; K8-I139 HydrophobicContact CG-CG2 4.25Å; K8-L143 WeakPolarHBondContact CE-O 3.35Å; K8-L143 PolarHBondContact NZ-O 2.92Å
9S72.5Confident71.5Confident23 Ų2357.6 Ų57.616%0.16133%0.327CS..Hα-helixtrans-73.9-22.5178.3-169.70000113.9P5 L6 L7 K13P5-S9 WeakPolarHBondContact O-CB 3.3Å; P5-S9 PolarHBondContact O-N 3.08Å; L6-S9 PolarHBondContact O-N 3.32Å; L7-S9 VanDerWaalsContact C-N 3.29Å; L7-S9 PolarHBondContact O-N 3.17Å; S9-K13 VanDerWaalsContact O-CB 3.29Å; S9-K13 WeakPolarHBondContact O-CB 3.37Å; S9-K13 WeakPolarHBondContact O-CG 3.36Å; S9-K13 PolarHBondContact O-N 2.71Å
10C73.9Confident72.3Confident57 Ų5754.8 Ų54.839%0.38531%0.31SS..Hα-helixtrans-77.3-43.3175.3-169.60000111L6 L7 V12 K13 L14 L15L6-C10 WeakPolarHBondContact O-CB 3.38Å; L6-C10 PolarHBondContact O-N 2.84Å; L7-C10 PolarHBondContact O-N 2.9Å; C10-V12 PolarHBondContact O-N 2.99Å; C10-K13 PolarHBondContact O-N 3.26Å; C10-L14 WeakPolarHBondContact O-CB 2.94Å; C10-L14 PolarHBondContact O-N 2.87Å; C10-L15 PolarHBondContact O-N 2.7Å
11V81.5Confident72.9Confident11 Ų1153 Ų537%0.06730%0.3CS..Iπ-helixtrans-57.5-45.3175.71680000111.7L7 L15 L16 T136 I139L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 3.5Å; V11-L15 HydrophobicContact CG1-CD2 4.4Å; V11-L15 HydrophobicContact CG2-CD2 4.46Å; V11-L15 WeakPolarHBondContact O-CB 3.26Å; V11-L16 PolarHBondContact O-N 2.69Å; V11-T136 HydrophobicContact CG1-CG2 3.38Å; V11-I139 HydrophobicContact CG1-CD1 4.27Å; V11-I139 HydrophobicContact CG2-CD1 3.97Å; V11-I139 HydrophobicContact CG2-CG2 4.34Å
12V81.2Confident75Confident5 Ų545.1 Ų45.13%0.0327%0.267CS..Iπ-helixtrans-72.5-34.3179.3174.40000113.5K8 C10 P17 L45 V140K8-V12 WeakPolarHBondContact O-CG2 3.48Å; K8-V12 PolarHBondContact O-N 3.08Å; C10-V12 PolarHBondContact O-N 2.99Å; V12-P17 WeakPolarHBondContact O-CD 3.45Å; V12-L45 HydrophobicContact CG1-CD1 3.75Å; V12-V140 HydrophobicContact CG2-CG2 3.72Å
13K74.8Confident76.7Confident56 Ų5640.6 Ų40.624%0.24324%0.24CC..Iπ-helixtrans-102.3-10.6-170.1-66.6-177.6178169.80115.7S9 C10 P17 L45 P47S9-K13 VanDerWaalsContact O-CB 3.29Å; S9-K13 WeakPolarHBondContact O-CB 3.37Å; S9-K13 WeakPolarHBondContact O-CG 3.36Å; S9-K13 PolarHBondContact O-N 2.71Å; C10-K13 PolarHBondContact O-N 3.26Å; K13-P17 WeakPolarHBondContact O-CG 3.4Å; K13-L45 WeakPolarHBondContact CE-O 3.48Å; K13-P47 VanDerWaalsContact NZ-CA 3.28Å
14L74Confident77.9Confident121 Ų12139.5 Ų39.563%0.63423%0.233SC*.Iπ-helixtrans-133.7-52.3-174.7-157.9130.8000111.3C10 A18C10-L14 WeakPolarHBondContact O-CB 2.94Å; C10-L14 PolarHBondContact O-N 2.87Å; L14-A18 WeakPolarHBondContact O-CB 3.45Å; L14-A18 PolarHBondContact O-N 2.93Å
15L82.4Confident78.7Confident80 Ų8040.8 Ų40.842%0.41924%0.235SC..Iπ-helixtrans-67.2-52.7-178.2-165.180.4000112.4C10 V11 A18 A19 L135C10-L15 PolarHBondContact O-N 2.7Å; V11-L15 HydrophobicContact CG1-CD2 4.4Å; V11-L15 HydrophobicContact CG2-CD2 4.46Å; V11-L15 WeakPolarHBondContact O-CB 3.26Å; L15-A18 PolarHBondContact O-N 3.4Å; L15-A19 PolarHBondContact O-N 2.91Å; L15-L135 HydrophobicContact CD2-CD2 3.64Å
16L86.8Confident79.4Confident1 Ų141.5 Ų41.51%0.00524%0.237CC..Hα-helixtrans-61.1-51.5-179.6-178.266.2000113.6V11 A18 A19 L20 F61 T65 A132 T136V11-L16 PolarHBondContact O-N 2.69Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.19Å; L16-A19 PolarHBondContact O-N 3.2Å; L16-L20 HydrophobicContact CD1-CD1 4.24Å; L16-L20 HydrophobicContact CD1-CG 4.4Å; L16-L20 HydrophobicContact CG-CD1 4.04Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.48Å; L16-F61 HydrophobicContact CD2-CE1 3.68Å; L16-F61 HydrophobicContact CD2-CZ 4.32Å; L16-T65 HydrophobicContact CD1-CG2 4.13Å; L16-T65 HydrophobicContact CD2-CG2 4.45Å; L16-A132 HydrophobicContact CD1-CB 4.44Å; L16-T136 HydrophobicContact CB-CG2 3.93Å; L16-T136 HydrophobicContact CD1-CG2 4.13Å; L16-T136 HydrophobicContact CD2-CG2 4.41Å; L16-T136 HydrophobicContact CG-CG2 4.39Å
17P82.7Confident80Confident2 Ų235.4 Ų35.41%0.01320%0.203CC..Hα-helixtrans-62.5-34.8175.917.6-28.7000113.8V12 K13 L20 L21 A39 S42 Y321V12-P17 WeakPolarHBondContact O-CD 3.45Å; K13-P17 WeakPolarHBondContact O-CG 3.4Å; P17-L20 PolarHBondContact O-N 3.16Å; P17-L21 WeakPolarHBondContact O-CB 3.45Å; P17-L21 WeakPolarHBondContact O-CG 3.37Å; P17-L21 PolarHBondContact O-N 3.45Å; P17-A39 HydrophobicContact CB-CB 4.15Å; P17-S42 VanDerWaalsContact CB-OG 3.27Å; P17-S42 WeakPolarHBondContact CB-OG 3.36Å; P17-S42 VanDerWaalsContact CG-OG 3.31Å; P17-S42 WeakPolarHBondContact CG-OG 3.22Å; P17-Y321 WeakPolarHBondContact CB-OH 3.44Å
18A82.3Confident80.2Confident56 Ų5631.4 Ų31.446%0.46318%0.183SC..Hα-helixtrans-64.2-42.6175.500000111.5L14 L15 L16 A22L14-A18 WeakPolarHBondContact O-CB 3.45Å; L14-A18 PolarHBondContact O-N 2.93Å; L15-A18 PolarHBondContact O-N 3.4Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 3.19Å; A18-A22 VanDerWaalsContact O-CB 3.27Å; A18-A22 WeakPolarHBondContact O-CB 3.09Å; A18-A22 PolarHBondContact O-N 3.35Å
19A86.4Confident80.4Confident15 Ų1531.1 Ų31.112%0.12418%0.182CC..Hα-helixtrans-64.5-41.6175.300000112.7L15 L16 A22 A23 I128 A132L15-A19 PolarHBondContact O-N 2.91Å; L16-A19 PolarHBondContact O-N 3.2Å; A19-A22 PolarHBondContact O-N 3.44Å; A19-A23 WeakPolarHBondContact O-CB 3.21Å; A19-A23 PolarHBondContact O-N 3.08Å; A19-I128 HydrophobicContact CB-CG2 3.96Å; A19-I128 WeakPolarHBondContact O-CG2 3.17Å; A19-A132 HydrophobicContact CB-CB 3.41Å; A19-A132 VanDerWaalsContact CB-CB 3.41Å
20L88.4Confident80.9Confident1 Ų133.9 Ų33.91%0.00519%0.191CC..Hα-helixtrans-66.4-42.3176.8-71.3169.5000112.5L16 P17 A23 A24 Y35 L38 A39 T65L16-L20 HydrophobicContact CD1-CD1 4.24Å; L16-L20 HydrophobicContact CD1-CG 4.4Å; L16-L20 HydrophobicContact CG-CD1 4.04Å; L16-L20 WeakPolarHBondContact O-CG 3.47Å; L16-L20 PolarHBondContact O-N 3.48Å; P17-L20 PolarHBondContact O-N 3.16Å; L20-A23 PolarHBondContact O-N 3.46Å; L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 2.86Å; L20-Y35 HydrophobicContact CD2-CD1 3.88Å; L20-Y35 HydrophobicContact CD2-CG 4.31Å; L20-L38 HydrophobicContact CD1-CB 3.81Å; L20-A39 HydrophobicContact CB-CB 4.01Å; L20-A39 HydrophobicContact CD1-CB 4.49Å; L20-T65 HydrophobicContact CD1-CG2 4.22Å; L20-T65 HydrophobicContact CD2-CG2 4.34Å
21L84.1Confident81.4Confident18 Ų1833.4 Ų33.49%0.09419%0.185CC..Hα-helixtrans-67.1-38.3174.5-78.7163.6000111.9P17 A24 I25 A39 F249 L317P17-L21 WeakPolarHBondContact O-CB 3.45Å; P17-L21 WeakPolarHBondContact O-CG 3.37Å; P17-L21 PolarHBondContact O-N 3.45Å; L21-A24 PolarHBondContact O-N 3.18Å; L21-I25 WeakPolarHBondContact O-CB 3.42Å; L21-I25 WeakPolarHBondContact O-CD1 3.18Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 2.83Å; L21-A39 HydrophobicContact CD1-CB 4.29Å; L21-A39 HydrophobicContact CD2-CB 4.38Å; L21-A39 HydrophobicContact CG-CB 3.82Å; L21-F249 HydrophobicContact CD2-CE1 4.12Å; L21-F249 HydrophobicContact CD2-CZ 4.13Å; L21-L317 HydrophobicContact CD1-CD1 4.18Å; L21-L317 HydrophobicContact CD1-CD2 4.22Å; L21-L317 HydrophobicContact CD2-CD1 4.45Å
22A83.8Confident81.4Confident39 Ų3933 Ų3332%0.32218%0.182SC..Hα-helixtrans-61.9-48.5173.800000111.3A18 A19 A24 I25 I26A18-A22 VanDerWaalsContact O-CB 3.27Å; A18-A22 WeakPolarHBondContact O-CB 3.09Å; A18-A22 PolarHBondContact O-N 3.35Å; A19-A22 PolarHBondContact O-N 3.44Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.9Å; A22-I25 PolarHBondContact O-N 3.01Å; A22-I26 WeakPolarHBondContact O-CD1 3.4Å; A22-I26 WeakPolarHBondContact O-CG1 3.39Å; A22-I26 PolarHBondContact O-N 2.98Å
23A82.3Confident81.5Confident0 Ų034.2 Ų34.20%019%0.188CC..Hα-helixtrans-58-40.2175.400000112.3A19 L20 R27 Y35 P125 A129A19-A23 WeakPolarHBondContact O-CB 3.21Å; A19-A23 PolarHBondContact O-N 3.08Å; L20-A23 PolarHBondContact O-N 3.46Å; A23-R27 PolarHBondContact O-N 3.39Å; A23-Y35 HydrophobicContact CB-CD2 4.07Å; A23-Y35 HydrophobicContact CB-CE2 4.2Å; A23-P125 HydrophobicContact CB-CB 4.05Å; A23-A129 HydrophobicContact CB-CB 4.2Å
24A83.1Confident82Confident0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-63.2-53.9175.900000112.7L20 L21 A22 I26 R27 V36 Y253L20-A24 WeakPolarHBondContact O-CB 3.42Å; L20-A24 PolarHBondContact O-N 2.86Å; L21-A24 PolarHBondContact O-N 3.18Å; A22-A24 VanDerWaalsContact C-N 3.28Å; A22-A24 PolarHBondContact O-N 2.9Å; A24-I26 PolarHBondContact O-N 2.9Å; A24-R27 CarbonylContact O-C 3.45Å; A24-R27 VanDerWaalsContact O-C 3.25Å; A24-R27 PolarHBondContact O-N 2.9Å; A24-R27 VanDerWaalsContact O-N 3.1Å; A24-V36 HydrophobicContact CB-CG2 3.64Å; A24-Y253 VanDerWaalsContact C-OH 3.3Å; A24-Y253 WeakPolarHBondContact CA-OH 3.4Å; A24-Y253 HydrophobicContact CB-CE2 4.08Å; A24-Y253 WeakPolarHBondContact CB-OH 3.49Å; A24-Y253 PolarHBondContact O-OH 3.24Å
25I79.1Confident82.8Confident106 Ų10626.6 Ų26.654%0.54415%0.154SC..Hα-helixtrans-59.9-34.6-179.6-67.5163.3000111.7L21 A22L21-I25 WeakPolarHBondContact O-CB 3.42Å; L21-I25 WeakPolarHBondContact O-CD1 3.18Å; L21-I25 VanDerWaalsContact O-CG1 3.26Å; L21-I25 WeakPolarHBondContact O-CG1 3.38Å; L21-I25 PolarHBondContact O-N 2.83Å; A22-I25 PolarHBondContact O-N 3.01Å
26I77.1Confident82.9Confident40 Ų4022.9 Ų22.921%0.20514%0.135CC..Hα-helixtrans-65.8-39177.6-66161.6000111.4A22 A24 R121 L124 P125 I128A22-I26 WeakPolarHBondContact O-CD1 3.4Å; A22-I26 WeakPolarHBondContact O-CG1 3.39Å; A22-I26 PolarHBondContact O-N 2.98Å; A24-I26 PolarHBondContact O-N 2.9Å; I26-R121 HydrophobicContact CG2-CG 4.01Å; I26-R121 VanDerWaalsContact O-CZ 3.31Å; I26-R121 PolarHBondContact O-NE 3.42Å; I26-R121 PolarHBondContact O-NH2 3.48Å; I26-L124 HydrophobicContact CD1-CD2 4.12Å; I26-L124 HydrophobicContact CD1-CG 4.41Å; I26-P125 HydrophobicContact CB-CG 4.06Å; I26-P125 HydrophobicContact CG2-CG 3.67Å; I26-I128 HydrophobicContact CD1-CD1 3.7Å
27R77Confident82.9Confident14 Ų1426.9 Ų26.95%0.05316%0.156CC..SBendtrans-133.482.7-178.4-165.2177.992.5-144.4-2.8112.5A23 A24 S29 S32 G107 A122 P125 E126A23-R27 PolarHBondContact O-N 3.39Å; A24-R27 CarbonylContact O-C 3.45Å; A24-R27 VanDerWaalsContact O-C 3.25Å; A24-R27 PolarHBondContact O-N 2.9Å; A24-R27 VanDerWaalsContact O-N 3.1Å; R27-S29 PolarHBondContact O-N 3.36Å; R27-S32 WeakPolarHBondContact O-CB 3.21Å; R27-S32 PolarHBondContact O-OG 3.3Å; R27-G107 VanDerWaalsContact CZ-O 3.24Å; R27-G107 PolarHBondContact NE-O 3.39Å; R27-G107 PolarHBondContact NH2-O 2.96Å; R27-A122 PolarHBondContact NH1-O 3.5Å; R27-P125 HydrophobicContact CB-CG 3.84Å; R27-E126 IonicContact CZ-OE1 2.75Å; R27-E126 IonicContact NH1-OE1 3.18Å; R27-E126 PolarHBondContact NH1-OE1 3.34Å; R27-E126 IonicContact NH2-OE1 2.72Å; R27-E126 PolarHBondContact NH2-OE1 2.99Å
28P76Confident83.2Confident7 Ų727.8 Ų27.85%0.04516%0.16CC..  trans-65.3106.3175.426.4-33.5000111.2Q256 M281 W289P28-Q256 HydrophobicContact CB-CB 4.38Å; P28-M281 HydrophobicContact CG-CE 3.59Å; P28-M281 HydrophobicContact CG-SD 4.26Å; P28-W289 HydrophobicContact CG-CH2 4.49Å; P28-W289 HydrophobicContact CG-CZ3 4.4Å
29S79.6Confident83.4Confident1 Ų125.1 Ų25.11%0.00714%0.138CC..SBendtrans-154.4165.9-177.184.30000111.6R27 L31 S32 I33 S105 I106R27-S29 PolarHBondContact O-N 3.36Å; S29-L31 VanDerWaalsContact C-N 3.29Å; S29-L31 PolarHBondContact O-N 3.44Å; S29-S32 PolarHBondContact N-OG 3.06Å; S29-S32 WeakPolarHBondContact O-CB 3.33Å; S29-S32 PolarHBondContact O-N 3.46Å; S29-S32 PolarHBondContact O-OG 3.15Å; S29-I33 PolarHBondContact O-N 3.4Å; S29-S105 WeakPolarHBondContact CA-O 3.32Å; S29-S105 WeakPolarHBondContact CB-O 3.46Å; S29-I106 WeakPolarHBondContact CB-O 3.28Å; S29-I106 PolarHBondContact OG-O 2.89Å
30F83.2Confident83.4Confident82 Ų8225.3 Ų25.336%0.3614%0.137SC..Hα-helixtrans-58.2-37.9178.4-74.5-72.1000113.3S32 I33 S105 I106 I257 I259F30-S32 VanDerWaalsContact C-N 3.3Å; F30-S32 PolarHBondContact O-N 3.37Å; F30-I33 HydrophobicContact CD1-CD1 3.88Å; F30-I33 WeakPolarHBondContact O-CB 3.43Å; F30-I33 PolarHBondContact O-N 2.94Å; F30-S105 WeakPolarHBondContact CD2-O 3.35Å; F30-S105 PolarHBondContact N-O 3.21Å; F30-I106 PolarHBondContact N-O 3.38Å; F30-I257 HydrophobicContact CD1-CD1 4.36Å; F30-I257 HydrophobicContact CE1-CD1 4.38Å; F30-I257 HydrophobicContact CE2-CG2 4.37Å; F30-I259 HydrophobicContact CE2-CG2 3.94Å; F30-I259 HydrophobicContact CZ-CG2 4.01Å
31L82.8Confident83.2Confident47 Ų4728.8 Ų28.825%0.24616%0.158CC..Hα-helixtrans-59.2-39.4173.9-72.1164.8000112.8S29 I33 G34 V72 I106S29-L31 VanDerWaalsContact C-N 3.29Å; S29-L31 PolarHBondContact O-N 3.44Å; L31-I33 VanDerWaalsContact C-N 3.27Å; L31-I33 PolarHBondContact O-N 2.93Å; L31-G34 PolarHBondContact O-N 3.45Å; L31-G34 VanDerWaalsContact O-N 3.11Å; L31-V72 HydrophobicContact CB-CG1 4.48Å; L31-V72 HydrophobicContact CD1-CG1 4.25Å; L31-V72 HydrophobicContact CD2-CG1 4.49Å; L31-V72 HydrophobicContact CD2-CG2 4.23Å; L31-I106 HydrophobicContact CD1-CG2 4.07Å; L31-I106 WeakPolarHBondContact CD1-O 3.42Å; L31-I106 HydrophobicContact CG-CG2 4.25Å; L31-I106 VanDerWaalsContact CG-O 3.3Å; L31-I106 WeakPolarHBondContact CG-O 3.22Å; L31-I106 PolarHBondContact N-O 2.99Å; L31-I106 VanDerWaalsContact N-O 3.13Å
32S81.6Confident83.2Confident1 Ų127.9 Ų27.91%0.00715%0.154CC..Hα-helixtrans-69.1-20-177.7740000114.5R27 S29 F30 G34 Y35 V36 Y253R27-S32 WeakPolarHBondContact O-CB 3.21Å; R27-S32 PolarHBondContact O-OG 3.3Å; S29-S32 PolarHBondContact N-OG 3.06Å; S29-S32 WeakPolarHBondContact O-CB 3.33Å; S29-S32 PolarHBondContact O-N 3.46Å; S29-S32 PolarHBondContact O-OG 3.15Å; F30-S32 VanDerWaalsContact C-N 3.3Å; F30-S32 PolarHBondContact O-N 3.37Å; S32-G34 PolarHBondContact O-N 2.93Å; S32-Y35 WeakPolarHBondContact O-CB 3.4Å; S32-Y35 PolarHBondContact O-N 3.3Å; S32-V36 PolarHBondContact O-N 2.67Å; S32-Y253 VanDerWaalsContact CB-OH 3.26Å; S32-Y253 WeakPolarHBondContact CB-OH 3.45Å; S32-Y253 PolarHBondContact OG-OH 3.39Å
33I84.4Confident82.8Confident32 Ų3226.5 Ų26.516%0.16414%0.142CC..Hα-helixtrans-58-33.1171.3-60.1176.2000110S29 F30 L31 Y35 V36 L37 Y253 I257S29-I33 PolarHBondContact O-N 3.4Å; F30-I33 HydrophobicContact CD1-CD1 3.88Å; F30-I33 WeakPolarHBondContact O-CB 3.43Å; F30-I33 PolarHBondContact O-N 2.94Å; L31-I33 VanDerWaalsContact C-N 3.27Å; L31-I33 PolarHBondContact O-N 2.93Å; I33-Y35 PolarHBondContact O-N 3.49Å; I33-V36 PolarHBondContact O-N 3.16Å; I33-L37 HydrophobicContact CG2-CD1 4.13Å; I33-L37 HydrophobicContact CG2-CG 4.36Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.23Å; I33-Y253 HydrophobicContact CG1-CD1 4.44Å; I33-Y253 HydrophobicContact CG1-CE1 4.2Å; I33-I257 HydrophobicContact CD1-CD1 3.91Å; I33-I257 HydrophobicContact CG1-CD1 4.35Å
34G86Confident82.7Confident15 Ų1531.1 Ų31.116%0.15517%0.17CC..Hα-helixtrans-60.2-41.1173.300000113.1L31 S32 L37 L38L31-G34 PolarHBondContact O-N 3.45Å; L31-G34 VanDerWaalsContact O-N 3.11Å; S32-G34 PolarHBondContact O-N 2.93Å; G34-L37 PolarHBondContact O-N 3.32Å; G34-L38 WeakPolarHBondContact O-CB 3.37Å; G34-L38 WeakPolarHBondContact O-CD1 3.46Å; G34-L38 VanDerWaalsContact O-CG 3.23Å; G34-L38 WeakPolarHBondContact O-CG 3.5Å; G34-L38 PolarHBondContact O-N 3.13Å
35Y89Confident82.4Confident2 Ų231.4 Ų31.41%0.00817%0.171CC..Hα-helixtrans-66.7-40.7175.5-54.2-41.3000112L20 A23 S32 I33 L38 A39 F68 E126 A129L20-Y35 HydrophobicContact CD2-CD1 3.88Å; L20-Y35 HydrophobicContact CD2-CG 4.31Å; A23-Y35 HydrophobicContact CB-CD2 4.07Å; A23-Y35 HydrophobicContact CB-CE2 4.2Å; S32-Y35 WeakPolarHBondContact O-CB 3.4Å; S32-Y35 PolarHBondContact O-N 3.3Å; I33-Y35 PolarHBondContact O-N 3.49Å; Y35-L38 PolarHBondContact O-N 3.39Å; Y35-A39 WeakPolarHBondContact O-CB 3.36Å; Y35-A39 PolarHBondContact O-N 3.34Å; Y35-F68 HydrophobicContact CD1-CD1 4.08Å; Y35-F68 AromaticContact CD1-CE1 3.81Å; Y35-F68 HydrophobicContact CD1-CE1 3.81Å; Y35-F68 AromaticContact CE1-CD1 3.98Å; Y35-F68 HydrophobicContact CE1-CD1 3.98Å; Y35-F68 AromaticContact CE1-CE1 3.78Å; Y35-F68 HydrophobicContact CE1-CE1 3.78Å; Y35-E126 PolarHBondContact OH-OE2 3.27Å; Y35-A129 HydrophobicContact CE1-CB 4.08Å
36V86Confident81.9Confident1 Ų128.8 Ų28.81%0.00616%0.162CC..Hα-helixtrans-61.7-45.7175.8177.70000110.8A24 S32 I33 A39 L40 F249 Y253A24-V36 HydrophobicContact CB-CG2 3.64Å; S32-V36 PolarHBondContact O-N 2.67Å; I33-V36 PolarHBondContact O-N 3.16Å; V36-A39 PolarHBondContact O-N 3.31Å; V36-L40 HydrophobicContact CG1-CD1 3.98Å; V36-L40 HydrophobicContact CG1-CG 4.42Å; V36-L40 VanDerWaalsContact O-CG 3.32Å; V36-L40 WeakPolarHBondContact O-CG 3.24Å; V36-L40 PolarHBondContact O-N 2.89Å; V36-F249 HydrophobicContact CG1-CD1 4.15Å; V36-F249 HydrophobicContact CG1-CE1 3.89Å; V36-Y253 HydrophobicContact CG2-CD1 4.13Å; V36-Y253 HydrophobicContact CG2-CD2 4.11Å; V36-Y253 HydrophobicContact CG2-CE1 3.89Å; V36-Y253 HydrophobicContact CG2-CE2 3.87Å; V36-Y253 HydrophobicContact CG2-CG 4.24Å
37L87.1Confident81.4Confident86 Ų8630.2 Ų30.245%0.4517%0.173SC..Hα-helixtrans-60.1-46.6175.5-74.3170.3000111.8I33 G34 A39 L40 V41 L250I33-L37 HydrophobicContact CG2-CD1 4.13Å; I33-L37 HydrophobicContact CG2-CG 4.36Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.23Å; G34-L37 PolarHBondContact O-N 3.32Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 3.12Å; L37-L40 PolarHBondContact O-N 3.25Å; L37-V41 WeakPolarHBondContact O-CB 3.33Å; L37-V41 VanDerWaalsContact O-CG2 3.25Å; L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 3.5Å; L37-L250 HydrophobicContact CD2-CD1 4.2Å
38L88.5Confident80.9Confident21 Ų2130.3 Ų30.311%0.1118%0.175CC..Hα-helixtrans-62.6-39.3177.1-71165.5000112.1L20 G34 Y35 V41 S42 F61 T65 F68L20-L38 HydrophobicContact CD1-CB 3.81Å; G34-L38 WeakPolarHBondContact O-CB 3.37Å; G34-L38 WeakPolarHBondContact O-CD1 3.46Å; G34-L38 VanDerWaalsContact O-CG 3.23Å; G34-L38 WeakPolarHBondContact O-CG 3.5Å; G34-L38 PolarHBondContact O-N 3.13Å; Y35-L38 PolarHBondContact O-N 3.39Å; L38-V41 PolarHBondContact O-N 2.9Å; L38-S42 PolarHBondContact O-N 3.38Å; L38-F61 HydrophobicContact CD2-CE2 4.01Å; L38-F61 WeakPolarHBondContact O-CZ 3.15Å; L38-T65 HydrophobicContact CD1-CG2 4.38Å; L38-F68 HydrophobicContact CD1-CB 4.26Å; L38-F68 HydrophobicContact CD1-CD1 3.76Å; L38-F68 HydrophobicContact CD1-CE1 4.44Å; L38-F68 HydrophobicContact CD1-CG 4.13Å
39A86.4Confident80.3Confident0 Ų035.9 Ų35.90%020%0.195CC..Hα-helixtrans-65.1-46.3176.300000112.3P17 L20 L21 Y35 V36 L37 V41 S42P17-A39 HydrophobicContact CB-CB 4.15Å; L20-A39 HydrophobicContact CB-CB 4.01Å; L20-A39 HydrophobicContact CD1-CB 4.49Å; L21-A39 HydrophobicContact CD1-CB 4.29Å; L21-A39 HydrophobicContact CD2-CB 4.38Å; L21-A39 HydrophobicContact CG-CB 3.82Å; Y35-A39 WeakPolarHBondContact O-CB 3.36Å; Y35-A39 PolarHBondContact O-N 3.34Å; V36-A39 PolarHBondContact O-N 3.31Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 3.12Å; A39-V41 PolarHBondContact O-N 2.96Å; A39-S42 WeakPolarHBondContact O-CB 3.39Å; A39-S42 PolarHBondContact O-N 3.39Å; A39-S42 PolarHBondContact O-OG 3.31Å
40L85.5Confident79.1Confident18 Ų1843.9 Ų43.99%0.09423%0.23CC..Hα-helixtrans-62.6-40.9176.2-69.6171000111.8V36 L37 S42 A43 F320V36-L40 HydrophobicContact CG1-CD1 3.98Å; V36-L40 HydrophobicContact CG1-CG 4.42Å; V36-L40 VanDerWaalsContact O-CG 3.32Å; V36-L40 WeakPolarHBondContact O-CG 3.24Å; V36-L40 PolarHBondContact O-N 2.89Å; L37-L40 PolarHBondContact O-N 3.25Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 2.92Å; L40-A43 WeakPolarHBondContact O-CB 3.28Å; L40-A43 PolarHBondContact O-N 3.37Å; L40-F320 HydrophobicContact CB-CZ 4.39Å; L40-F320 HydrophobicContact CD2-CD1 3.9Å; L40-F320 HydrophobicContact CD2-CE1 3.52Å; L40-F320 HydrophobicContact CD2-CE2 4.31Å; L40-F320 HydrophobicContact CD2-CG 4.44Å; L40-F320 HydrophobicContact CD2-CZ 3.75Å
41V85.6Confident77.9Confident74 Ų7444.9 Ų44.945%0.44825%0.246SC..Hα-helixtrans-63.2-37.3176.11680000111.8L37 L38 A39 A43 V44 F61L37-V41 WeakPolarHBondContact O-CB 3.33Å; L37-V41 VanDerWaalsContact O-CG2 3.25Å; L37-V41 WeakPolarHBondContact O-CG2 3.36Å; L37-V41 PolarHBondContact O-N 3.5Å; L38-V41 PolarHBondContact O-N 2.9Å; A39-V41 PolarHBondContact O-N 2.96Å; V41-A43 PolarHBondContact O-N 3.1Å; V41-V44 WeakPolarHBondContact O-CB 3.33Å; V41-V44 PolarHBondContact O-N 3.12Å; V41-F61 HydrophobicContact CB-CE2 4.19Å; V41-F61 HydrophobicContact CG1-CD2 3.89Å; V41-F61 HydrophobicContact CG1-CE2 3.73Å
42S83.7Confident76.7Confident0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-57.4-36179.880.90000113P17 L38 A39 L40 V44 L45P17-S42 VanDerWaalsContact CB-OG 3.27Å; P17-S42 WeakPolarHBondContact CB-OG 3.36Å; P17-S42 VanDerWaalsContact CG-OG 3.31Å; P17-S42 WeakPolarHBondContact CG-OG 3.22Å; L38-S42 PolarHBondContact O-N 3.38Å; A39-S42 WeakPolarHBondContact O-CB 3.39Å; A39-S42 PolarHBondContact O-N 3.39Å; A39-S42 PolarHBondContact O-OG 3.31Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 2.92Å; S42-V44 PolarHBondContact O-N 3.44Å; S42-L45 WeakPolarHBondContact O-CB 3.47Å; S42-L45 PolarHBondContact O-N 2.87Å
43A75.5Confident75.6Confident10 Ų1052.4 Ų52.48%0.08330%0.299CS..THydrogen-bonded Turntrans-63.5-23.7178.800000112.2L40 V41 F320 Y321 V324 K328L40-A43 WeakPolarHBondContact O-CB 3.28Å; L40-A43 PolarHBondContact O-N 3.37Å; V41-A43 PolarHBondContact O-N 3.1Å; A43-F320 HydrophobicContact CB-CE1 3.82Å; A43-F320 HydrophobicContact CB-CZ 4.32Å; A43-Y321 HydrophobicContact CB-CD1 4.09Å; A43-Y321 HydrophobicContact CB-CE1 3.7Å; A43-V324 HydrophobicContact CB-CG1 4.31Å; A43-V324 WeakPolarHBondContact O-CG1 3.48Å; A43-K328 WeakPolarHBondContact O-CE 3.43Å; A43-K328 PolarHBondContact O-NZ 3.3Å
44V78.8Confident74.7Confident96 Ų9654 Ų5458%0.58231%0.308SS*.THydrogen-bonded Turntrans-85.7-20.4-178.4-170.40000112.5V41 S42 K328V41-V44 WeakPolarHBondContact O-CB 3.33Å; V41-V44 PolarHBondContact O-N 3.12Å; S42-V44 PolarHBondContact O-N 3.44Å; V44-K328 VanDerWaalsContact O-CE 3.29Å; V44-K328 WeakPolarHBondContact O-CE 3.36Å; V44-K328 PolarHBondContact O-NZ 2.94Å
45L76.8Confident73.9Confident6 Ų655.1 Ų55.13%0.03131%0.312CS..SBendtrans-60.2147.4-174.8-66.5169.6000116.1V12 K13 S42 L57 V58 F61 K328V12-L45 HydrophobicContact CG1-CD1 3.75Å; K13-L45 WeakPolarHBondContact CE-O 3.48Å; S42-L45 WeakPolarHBondContact O-CB 3.47Å; S42-L45 PolarHBondContact O-N 2.87Å; L45-L57 HydrophobicContact CD2-CD2 4.14Å; L45-L57 HydrophobicContact CD2-CG 4.43Å; L45-V58 HydrophobicContact CD2-CG2 4.48Å; L45-F61 HydrophobicContact CD1-CD1 3.45Å; L45-F61 VanDerWaalsContact CD1-CD1 3.45Å; L45-F61 HydrophobicContact CD1-CD2 4.48Å; L45-F61 HydrophobicContact CD1-CE1 3.61Å; L45-F61 HydrophobicContact CD1-CG 3.92Å; L45-F61 HydrophobicContact CD1-CZ 4.23Å; L45-F61 HydrophobicContact CD2-CB 4.33Å; L45-F61 HydrophobicContact CD2-CG 4.33Å; L45-K328 PolarHBondContact O-NZ 2.8Å
46P70Confident73.2Confident52 Ų5263.8 Ų63.834%0.33835%0.35SS..PPolyproline II helixtrans-67.7154.4177.328.5-34.6000112.8V58P46-V58 HydrophobicContact CG-CG2 3.97Å
47P66.6Low72.9Confident70 Ų7069.2 Ų69.246%0.45538%0.379SS..PPolyproline II helixtrans-74.4146.6172.531.3-33.1000112.6K13 R49K13-P47 VanDerWaalsContact NZ-CA 3.28Å; P47-R49 PolarHBondContact O-N 2.9Å
48I66.5Low72.5Confident16 Ų1665.2 Ų65.28%0.08236%0.358CS..  trans-80114.9173.5-58.6170.2000108P5 K8 L54P5-I48 HydrophobicContact CB-CG2 4.33Å; K8-I48 HydrophobicContact CB-CD1 3.68Å; I48-L54 HydrophobicContact CD1-CD1 4.5Å
49R62.6Low72Confident123 Ų12364.7 Ų64.746%0.46436%0.357SS..  trans-96.2156-178-71.9-171.4174.5-161.9-3.2111P47 S51 E336P47-R49 PolarHBondContact O-N 2.9Å; R49-S51 VanDerWaalsContact C-N 3.26Å; R49-S51 PolarHBondContact O-N 3.38Å; R49-E336 IonicContact CZ-OE1 3.8Å; R49-E336 IonicContact NH1-OE1 3.52Å; R49-E336 PolarHBondContact NH1-OE1 3.49Å; R49-E336 IonicContact NH2-OE1 3.08Å; R49-E336 PolarHBondContact NH2-OE1 3.1Å; R49-E336 IonicContact NH2-OE2 2.74Å
50K54.6Low71.8Confident170 Ų17068.2 Ų68.274%0.73938%0.379SS*.THydrogen-bonded Turntrans-62.8-22.2-179.1-84.7-173.5173.1-170.70115.3P5P5-K50 HydrophobicContact CG-CG 3.81Å
51S58.8Low71.8Confident102 Ų10268.1 Ų68.171%0.71338%0.378SS*.THydrogen-bonded Turntrans-118.45.6-165.454.30000115R49R49-S51 VanDerWaalsContact C-N 3.26Å; R49-S51 PolarHBondContact O-N 3.38Å
52L55.9Low71.8Confident114 Ų11464.6 Ų64.660%0.59736%0.356SS*.SBendtrans-129.3139.5-179-92.183.1000110.9
53A59.5Low71.9Confident93 Ų9368.2 Ų68.277%0.76938%0.375SS*.  trans-58.9138168.500000111.6P55A53-P55 VanDerWaalsContact O-CD 3.26Å; A53-P55 WeakPolarHBondContact O-CD 3.4Å
54L64.6Low72.5Confident64 Ų6472.1 Ų72.134%0.33539%0.393SS..  51.348.3119.9-87.7101.9000118.5I48 K56 V140I48-L54 HydrophobicContact CD1-CD1 4.5Å; L54-K56 PolarHBondContact O-N 2.99Å; L54-V140 HydrophobicContact CD1-CG1 4.01Å; L54-V140 HydrophobicContact CD2-CG1 3.54Å; L54-V140 HydrophobicContact CG-CG1 4.42Å
55P70.2Confident72.9Confident39 Ų3967.5 Ų67.525%0.25337%0.366SS..  trans-57118.1-173.6-26.835.7000111.4A53 L57 V58 G59A53-P55 VanDerWaalsContact O-CD 3.26Å; A53-P55 WeakPolarHBondContact O-CD 3.4Å; P55-L57 PolarHBondContact O-N 2.83Å; P55-L57 VanDerWaalsContact O-N 3.07Å; P55-V58 HydrophobicContact CB-CG2 4.17Å; P55-V58 WeakPolarHBondContact O-CB 3.47Å; P55-V58 PolarHBondContact O-N 3.01Å; P55-G59 PolarHBondContact O-N 2.83Å
56K75Confident73.4Confident185 Ų18569.8 Ų69.880%0.80438%0.375SS*.Hα-helixtrans-46.2-47.3-172.8-76.7-174.4175.6-178.60112.1L54 V58 G59 T60L54-K56 PolarHBondContact O-N 2.99Å; K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 2.94Å; K56-G59 PolarHBondContact O-N 2.87Å; K56-T60 PolarHBondContact O-N 3.34Å; K56-T60 PolarHBondContact O-OG1 2.83Å
57L79Confident74.3Confident115 Ų11571.9 Ų71.960%0.60238%0.383SS*.Hα-helixtrans-52.9-39.8177.4-165.880.1000114L45 P55 F61L45-L57 HydrophobicContact CD2-CD2 4.14Å; L45-L57 HydrophobicContact CD2-CG 4.43Å; P55-L57 PolarHBondContact O-N 2.83Å; P55-L57 VanDerWaalsContact O-N 3.07Å; L57-F61 VanDerWaalsContact O-CB 3.23Å; L57-F61 WeakPolarHBondContact O-CB 3.45Å; L57-F61 PolarHBondContact O-N 2.82Å
58V77.9Confident75.5Confident2 Ų271.8 Ų71.81%0.01238%0.376CS..Hα-helixtrans-72.5-41.1178.7177.30000110.3L45 P46 P55 K56 V62L45-V58 HydrophobicContact CD2-CG2 4.48Å; P46-V58 HydrophobicContact CG-CG2 3.97Å; P55-V58 HydrophobicContact CB-CG2 4.17Å; P55-V58 WeakPolarHBondContact O-CB 3.47Å; P55-V58 PolarHBondContact O-N 3.01Å; K56-V58 VanDerWaalsContact C-N 3.29Å; K56-V58 PolarHBondContact O-N 2.94Å; V58-V62 VanDerWaalsContact O-CG2 3.32Å; V58-V62 WeakPolarHBondContact O-CG2 3.49Å; V58-V62 PolarHBondContact O-N 3.14Å; V58-V62 VanDerWaalsContact O-N 3.12Å
59G78.1Confident76.5Confident10 Ų1071 Ų7110%0.10337%0.372CS..Hα-helixtrans-61.4-48.4173.400000112.3P55 K56 V62 I63 M141P55-G59 PolarHBondContact O-N 2.83Å; K56-G59 PolarHBondContact O-N 2.87Å; G59-V62 PolarHBondContact O-N 2.86Å; G59-I63 WeakPolarHBondContact O-CG1 3.03Å; G59-I63 PolarHBondContact O-N 3.29Å; G59-I63 VanDerWaalsContact O-N 3.08Å; G59-M141 WeakPolarHBondContact O-CE 3.38Å
60T83Confident77.7Confident73 Ų7368.7 Ų68.745%0.44837%0.368SS..Hα-helixtrans-63.5-42.2178.4-460000112K56 V62 I63 I64K56-T60 PolarHBondContact O-N 3.34Å; K56-T60 PolarHBondContact O-OG1 2.83Å; T60-V62 PolarHBondContact O-N 3.07Å; T60-I63 PolarHBondContact O-N 3.21Å; T60-I64 HydrophobicContact CG2-CD1 3.83Å; T60-I64 HydrophobicContact CG2-CG1 4.37Å; T60-I64 WeakPolarHBondContact O-CB 3.39Å; T60-I64 VanDerWaalsContact O-CG1 3.3Å; T60-I64 WeakPolarHBondContact O-CG1 3.44Å; T60-I64 PolarHBondContact O-N 3.23Å
61F85.6Confident79.3Confident16 Ų1663.4 Ų63.47%0.0736%0.356CS..Hα-helixtrans-60.7-44.7176.8170.7-97.8000112.4L16 L38 V41 L45 L57 I64 T65L16-F61 HydrophobicContact CD2-CE1 3.68Å; L16-F61 HydrophobicContact CD2-CZ 4.32Å; L38-F61 HydrophobicContact CD2-CE2 4.01Å; L38-F61 WeakPolarHBondContact O-CZ 3.15Å; V41-F61 HydrophobicContact CB-CE2 4.19Å; V41-F61 HydrophobicContact CG1-CD2 3.89Å; V41-F61 HydrophobicContact CG1-CE2 3.73Å; L45-F61 HydrophobicContact CD1-CD1 3.45Å; L45-F61 VanDerWaalsContact CD1-CD1 3.45Å; L45-F61 HydrophobicContact CD1-CD2 4.48Å; L45-F61 HydrophobicContact CD1-CE1 3.61Å; L45-F61 HydrophobicContact CD1-CG 3.92Å; L45-F61 HydrophobicContact CD1-CZ 4.23Å; L45-F61 HydrophobicContact CD2-CB 4.33Å; L45-F61 HydrophobicContact CD2-CG 4.33Å; L57-F61 VanDerWaalsContact O-CB 3.23Å; L57-F61 WeakPolarHBondContact O-CB 3.45Å; L57-F61 PolarHBondContact O-N 2.82Å; F61-I64 PolarHBondContact O-N 3.14Å; F61-T65 WeakPolarHBondContact O-CB 3.2Å; F61-T65 PolarHBondContact O-N 2.68Å; F61-T65 PolarHBondContact O-OG1 3.39Å
62V84.9Confident80.6Confident0 Ų059 Ų590%033%0.325CS..Hα-helixtrans-65.7-39178.9171.30000111.1V58 G59 T60 F66 I137V58-V62 VanDerWaalsContact O-CG2 3.32Å; V58-V62 WeakPolarHBondContact O-CG2 3.49Å; V58-V62 PolarHBondContact O-N 3.14Å; V58-V62 VanDerWaalsContact O-N 3.12Å; G59-V62 PolarHBondContact O-N 2.86Å; T60-V62 PolarHBondContact O-N 3.07Å; V62-F66 PolarHBondContact O-N 3.26Å; V62-F66 VanDerWaalsContact O-N 3.13Å; V62-I137 HydrophobicContact CG1-CB 4.37Å; V62-I137 HydrophobicContact CG1-CG1 3.44Å; V62-I137 VanDerWaalsContact CG1-CG1 3.44Å
63I86Confident81.9Confident77 Ų7755.2 Ų55.240%0.39531%0.31SS..Hα-helixtrans-62.9-50.8172.5-67.8165.3000111.4G59 T60 T65 F66 L67 M141G59-I63 WeakPolarHBondContact O-CG1 3.03Å; G59-I63 PolarHBondContact O-N 3.29Å; G59-I63 VanDerWaalsContact O-N 3.08Å; T60-I63 PolarHBondContact O-N 3.21Å; I63-T65 VanDerWaalsContact C-N 3.28Å; I63-T65 PolarHBondContact O-N 2.71Å; I63-F66 PolarHBondContact O-N 3.23Å; I63-L67 HydrophobicContact CG2-CD1 3.73Å; I63-L67 HydrophobicContact CG2-CG 4.17Å; I63-L67 WeakPolarHBondContact O-CG 3.4Å; I63-L67 PolarHBondContact O-N 3.43Å; I63-M141 HydrophobicContact CD1-CE 3.84Å; I63-M141 HydrophobicContact CG1-CE 3.73Å
64I87.6Confident83.2Confident91 Ų9156.4 Ų56.447%0.46730%0.303SS..Hα-helixtrans-59.2-41.4-180-71.5169.5000110.8T60 F61 F66 L67 F68T60-I64 HydrophobicContact CG2-CD1 3.83Å; T60-I64 HydrophobicContact CG2-CG1 4.37Å; T60-I64 WeakPolarHBondContact O-CB 3.39Å; T60-I64 VanDerWaalsContact O-CG1 3.3Å; T60-I64 WeakPolarHBondContact O-CG1 3.44Å; T60-I64 PolarHBondContact O-N 3.23Å; F61-I64 PolarHBondContact O-N 3.14Å; I64-F66 PolarHBondContact O-N 2.87Å; I64-L67 PolarHBondContact O-N 3.45Å; I64-F68 WeakPolarHBondContact O-CB 3.34Å; I64-F68 PolarHBondContact O-N 2.81Å
65T87.2Confident84Confident0 Ų054.7 Ų54.70%030%0.301CS..Hα-helixtrans-61.3-45.6178.2-55.40000111.1L16 L20 L38 F61 I63 C69 A133L16-T65 HydrophobicContact CD1-CG2 4.13Å; L16-T65 HydrophobicContact CD2-CG2 4.45Å; L20-T65 HydrophobicContact CD1-CG2 4.22Å; L20-T65 HydrophobicContact CD2-CG2 4.34Å; L38-T65 HydrophobicContact CD1-CG2 4.38Å; F61-T65 WeakPolarHBondContact O-CB 3.2Å; F61-T65 PolarHBondContact O-N 2.68Å; F61-T65 PolarHBondContact O-OG1 3.39Å; I63-T65 VanDerWaalsContact C-N 3.28Å; I63-T65 PolarHBondContact O-N 2.71Å; T65-C69 PolarHBondContact O-N 3.39Å; T65-C69 PolarHBondContact O-SG 2.9Å; T65-A133 HydrophobicContact CG2-CB 4.48Å
66F88.7Confident84.4Confident54 Ų5453.5 Ų53.524%0.23729%0.293CS..Hα-helixtrans-65.4-45.5176.1175-103000112.8V62 I63 I64 F68 C69 L70 A133 L134 I137V62-F66 PolarHBondContact O-N 3.26Å; V62-F66 VanDerWaalsContact O-N 3.13Å; I63-F66 PolarHBondContact O-N 3.23Å; I64-F66 PolarHBondContact O-N 2.87Å; F66-F68 VanDerWaalsContact C-N 3.32Å; F66-F68 PolarHBondContact O-N 3.32Å; F66-C69 PolarHBondContact O-N 2.95Å; F66-L70 HydrophobicContact CE1-CD2 4.44Å; F66-L70 VanDerWaalsContact O-CB 3.3Å; F66-L70 WeakPolarHBondContact O-CB 3.45Å; F66-L70 PolarHBondContact O-N 3.07Å; F66-A133 HydrophobicContact CB-CB 4.18Å; F66-A133 HydrophobicContact CD2-CB 4.24Å; F66-L134 HydrophobicContact CE2-CD1 4.19Å; F66-I137 HydrophobicContact CB-CD1 3.42Å; F66-I137 VanDerWaalsContact CB-CD1 3.42Å; F66-I137 HydrophobicContact CD1-CD1 3.84Å; F66-I137 HydrophobicContact CD2-CD1 3.87Å; F66-I137 HydrophobicContact CG-CD1 3.43Å; F66-I137 VanDerWaalsContact CG-CD1 3.43Å
67L88.9Confident84.6Confident96 Ų9646.2 Ų46.250%0.50327%0.27SS..Hα-helixtrans-61.3-39.8177.2-71.1175.5000112.1I63 I64 L70 A71I63-L67 HydrophobicContact CG2-CD1 3.73Å; I63-L67 HydrophobicContact CG2-CG 4.17Å; I63-L67 WeakPolarHBondContact O-CG 3.4Å; I63-L67 PolarHBondContact O-N 3.43Å; I64-L67 PolarHBondContact O-N 3.45Å; L67-L70 PolarHBondContact O-N 3.25Å; L67-A71 VanDerWaalsContact O-CB 3.31Å; L67-A71 WeakPolarHBondContact O-CB 3.43Å; L67-A71 PolarHBondContact O-N 2.89Å
68F90.5Very high84.8Confident68 Ų6844.2 Ų44.230%0.29827%0.266SS..Hα-helixtrans-64.3-49.4174.6-174.2-98.1000111.3Y35 L38 I64 F66 L70 A71 V72Y35-F68 HydrophobicContact CD1-CD1 4.08Å; Y35-F68 AromaticContact CD1-CE1 3.81Å; Y35-F68 HydrophobicContact CD1-CE1 3.81Å; Y35-F68 AromaticContact CE1-CD1 3.98Å; Y35-F68 HydrophobicContact CE1-CD1 3.98Å; Y35-F68 AromaticContact CE1-CE1 3.78Å; Y35-F68 HydrophobicContact CE1-CE1 3.78Å; L38-F68 HydrophobicContact CD1-CB 4.26Å; L38-F68 HydrophobicContact CD1-CD1 3.76Å; L38-F68 HydrophobicContact CD1-CE1 4.44Å; L38-F68 HydrophobicContact CD1-CG 4.13Å; I64-F68 WeakPolarHBondContact O-CB 3.34Å; I64-F68 PolarHBondContact O-N 2.81Å; F66-F68 VanDerWaalsContact C-N 3.32Å; F66-F68 PolarHBondContact O-N 3.32Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 2.6Å; F68-A71 PolarHBondContact O-N 2.98Å; F68-V72 HydrophobicContact CD1-CG2 4.24Å; F68-V72 HydrophobicContact CE1-CG2 3.85Å; F68-V72 HydrophobicContact CE2-CG2 4.34Å; F68-V72 HydrophobicContact CZ-CG2 3.9Å; F68-V72 WeakPolarHBondContact O-CG2 3.31Å; F68-V72 PolarHBondContact O-N 3.26Å
69C88.2Confident84.8Confident0 Ų045.5 Ų45.50%027%0.27CS..Hα-helixtrans-61.2-38.1177.9-61.60000112.2T65 F66 A73 A129 T130T65-C69 PolarHBondContact O-N 3.39Å; T65-C69 PolarHBondContact O-SG 2.9Å; F66-C69 PolarHBondContact O-N 2.95Å; C69-A73 VanDerWaalsContact O-CB 3.32Å; C69-A73 WeakPolarHBondContact O-CB 3.4Å; C69-A73 PolarHBondContact O-N 3.36Å; C69-A129 HydrophobicContact CB-CB 4.43Å; C69-T130 HydrophobicContact CB-CG2 3.81Å
70L88.4Confident84.7Confident73 Ų7346.8 Ų46.838%0.38227%0.274SS..Hα-helixtrans-65.9-44.3175.7-170.575.5000111.7F66 L67 F68 A73 L74F66-L70 HydrophobicContact CE1-CD2 4.44Å; F66-L70 VanDerWaalsContact O-CB 3.3Å; F66-L70 WeakPolarHBondContact O-CB 3.45Å; F66-L70 PolarHBondContact O-N 3.07Å; L67-L70 PolarHBondContact O-N 3.25Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 2.6Å; L70-A73 PolarHBondContact O-N 2.99Å; L70-L74 HydrophobicContact CG-CD1 4.19Å; L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 3Å
71A87.7Confident84.5Confident60 Ų6049 Ų4950%0.49628%0.281SS..Hα-helixtrans-64.9-40.517900000112.4L67 F68 L74 G75L67-A71 VanDerWaalsContact O-CB 3.31Å; L67-A71 WeakPolarHBondContact O-CB 3.43Å; L67-A71 PolarHBondContact O-N 2.89Å; F68-A71 PolarHBondContact O-N 2.98Å; A71-L74 PolarHBondContact O-N 3.07Å; A71-G75 PolarHBondContact O-N 3.34Å
72V85.4Confident83.9Confident9 Ų950.9 Ų50.96%0.05530%0.297CS..Hα-helixtrans-67.3-44.3175.1-175.70000110.8L31 F68 L74 G75 V76 E126L31-V72 HydrophobicContact CB-CG1 4.48Å; L31-V72 HydrophobicContact CD1-CG1 4.25Å; L31-V72 HydrophobicContact CD2-CG1 4.49Å; L31-V72 HydrophobicContact CD2-CG2 4.23Å; F68-V72 HydrophobicContact CD1-CG2 4.24Å; F68-V72 HydrophobicContact CE1-CG2 3.85Å; F68-V72 HydrophobicContact CE2-CG2 4.34Å; F68-V72 HydrophobicContact CZ-CG2 3.9Å; F68-V72 WeakPolarHBondContact O-CG2 3.31Å; F68-V72 PolarHBondContact O-N 3.26Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.36Å; V72-G75 PolarHBondContact O-N 3.11Å; V72-G75 VanDerWaalsContact O-N 3.17Å; V72-V76 HydrophobicContact CG1-CG2 4.36Å; V72-V76 WeakPolarHBondContact O-CG2 3.43Å; V72-V76 PolarHBondContact O-N 3.39Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.39Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.42Å
73A84Confident83.1Confident34 Ų3452.9 Ų52.928%0.28131%0.306SS..Hα-helixtrans-59.8-40.1176.100000112.8C69 L70 G77 T130C69-A73 VanDerWaalsContact O-CB 3.32Å; C69-A73 WeakPolarHBondContact O-CB 3.4Å; C69-A73 PolarHBondContact O-N 3.36Å; L70-A73 PolarHBondContact O-N 2.99Å; A73-G77 PolarHBondContact O-N 3.01Å; A73-T130 HydrophobicContact CB-CG2 4.23Å
74L85.7Confident82.3Confident118 Ų11856.1 Ų56.162%0.61832%0.32SS*.Hα-helixtrans-67.2-40.7174.4-73169.5000112.4L70 A71 V72 G77 S78L70-L74 HydrophobicContact CG-CD1 4.19Å; L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 3Å; A71-L74 PolarHBondContact O-N 3.07Å; V72-L74 VanDerWaalsContact C-N 3.32Å; V72-L74 PolarHBondContact O-N 3.36Å; L74-G77 PolarHBondContact O-N 3.44Å; L74-S78 PolarHBondContact O-N 3.24Å; L74-S78 PolarHBondContact O-OG 3.36Å
75G82.2Confident81.4Confident29 Ų2957.4 Ų57.430%0.29933%0.332SS..Hα-helixtrans-68.8-35.4177.400000113.9A71 V72 S78 Y79A71-G75 PolarHBondContact O-N 3.34Å; V72-G75 PolarHBondContact O-N 3.11Å; V72-G75 VanDerWaalsContact O-N 3.17Å; G75-S78 PolarHBondContact O-OG 3.49Å; G75-S78 VanDerWaalsContact O-OG 3.1Å; G75-Y79 WeakPolarHBondContact O-CB 3.28Å; G75-Y79 PolarHBondContact O-N 2.91Å
76V79.2Confident80.5Confident14 Ų1461.9 Ų61.99%0.08536%0.358CS..Hα-helixtrans-68.4-43.1169.9174.10000110V72 S78 Y79 Q80 L108V72-V76 HydrophobicContact CG1-CG2 4.36Å; V72-V76 WeakPolarHBondContact O-CG2 3.43Å; V72-V76 PolarHBondContact O-N 3.39Å; V76-S78 PolarHBondContact O-N 3.35Å; V76-Y79 PolarHBondContact O-N 3.46Å; V76-Q80 WeakPolarHBondContact O-CG 3.26Å; V76-Q80 PolarHBondContact O-N 3.24Å; V76-L108 HydrophobicContact CG2-CD2 4.36Å
77G78.9Confident79Confident31 Ų3163.8 Ų63.832%0.3237%0.368SS..Hα-helixtrans-58.2-46.5176.800000113.5A73 L74 Q80 I81A73-G77 PolarHBondContact O-N 3.01Å; L74-G77 PolarHBondContact O-N 3.44Å; G77-Q80 PolarHBondContact O-N 3.48Å; G77-I81 WeakPolarHBondContact O-CD1 3.24Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.26Å; G77-I81 PolarHBondContact O-N 2.86Å; G77-I81 VanDerWaalsContact O-N 3.12Å
78S82Confident77.2Confident73 Ų7368.2 Ų68.251%0.5138%0.383SS..Hα-helixtrans-66.5-37177.8610000112.8L74 G75 V76 I81 S82L74-S78 PolarHBondContact O-N 3.24Å; L74-S78 PolarHBondContact O-OG 3.36Å; G75-S78 PolarHBondContact O-OG 3.49Å; G75-S78 VanDerWaalsContact O-OG 3.1Å; V76-S78 PolarHBondContact O-N 3.35Å; S78-I81 PolarHBondContact O-N 2.84Å; S78-S82 PolarHBondContact O-N 3.29Å; S78-S82 PolarHBondContact O-OG 3.1Å
79Y79.9Confident75.3Confident29 Ų2972.5 Ų72.511%0.11441%0.409CS..Hα-helixtrans-65.1-43174.9177.9-105.8000112.9G75 V76 I81 S82 E83 L108G75-Y79 WeakPolarHBondContact O-CB 3.28Å; G75-Y79 PolarHBondContact O-N 2.91Å; V76-Y79 PolarHBondContact O-N 3.46Å; Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 3.28Å; Y79-S82 WeakPolarHBondContact CA-OG 3.48Å; Y79-S82 PolarHBondContact O-N 2.92Å; Y79-S82 PolarHBondContact O-OG 3.48Å; Y79-E83 HydrophobicContact CD1-CG 4.47Å; Y79-E83 HydrophobicContact CD2-CG 4.28Å; Y79-E83 HydrophobicContact CE1-CG 3.89Å; Y79-E83 HydrophobicContact CE2-CG 3.64Å; Y79-E83 WeakPolarHBondContact CE2-OE1 3.35Å; Y79-E83 VanDerWaalsContact CZ-CG 3.41Å; Y79-E83 PolarHBondContact O-N 2.91Å; Y79-E83 WeakPolarHBondContact OH-CG 3.4Å; Y79-E83 PolarHBondContact OH-OE1 3.45Å; Y79-L108 HydrophobicContact CD1-CB 3.65Å; Y79-L108 HydrophobicContact CD1-CD2 4.41Å; Y79-L108 HydrophobicContact CD1-CG 4.49Å; Y79-L108 HydrophobicContact CD2-CB 4.03Å; Y79-L108 HydrophobicContact CD2-CD1 4.03Å; Y79-L108 VanDerWaalsContact CE1-C 3.48Å; Y79-L108 HydrophobicContact CE1-CB 3.82Å; Y79-L108 HydrophobicContact CE2-CB 4.22Å; Y79-L108 HydrophobicContact CG-CB 3.76Å; Y79-L108 HydrophobicContact CG-CD1 4.13Å; Y79-L108 HydrophobicContact CG-CD2 4.13Å; Y79-L108 HydrophobicContact CG-CG 4.21Å
80Q75.3Confident73.5Confident38 Ų3877.6 Ų77.618%0.17844%0.437CS..Hα-helixtrans-60.3-41.9173.5-61.3-58.6-18.100110.8V76 G77 S82 E83 Q84 V109V76-Q80 WeakPolarHBondContact O-CG 3.26Å; V76-Q80 PolarHBondContact O-N 3.24Å; G77-Q80 PolarHBondContact O-N 3.48Å; Q80-S82 PolarHBondContact O-N 3.19Å; Q80-E83 PolarHBondContact O-N 3.14Å; Q80-Q84 VanDerWaalsContact O-CB 3.24Å; Q80-Q84 WeakPolarHBondContact O-CB 3.37Å; Q80-Q84 PolarHBondContact O-N 3.5Å; Q80-V109 PolarHBondContact NE2-O 3.01Å
81I77.8Confident71.6Confident118 Ų11882.5 Ų82.561%0.60545%0.45SS*.Hα-helixtrans-61.4-43.4177.4-68.1164.3000111.1G77 S78 Y79 V85G77-I81 WeakPolarHBondContact O-CD1 3.24Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.26Å; G77-I81 PolarHBondContact O-N 2.86Å; G77-I81 VanDerWaalsContact O-N 3.12Å; S78-I81 PolarHBondContact O-N 2.84Å; Y79-I81 VanDerWaalsContact C-N 3.28Å; Y79-I81 PolarHBondContact O-N 3.28Å; I81-V85 VanDerWaalsContact O-CG2 3.29Å; I81-V85 WeakPolarHBondContact O-CG2 3.19Å; I81-V85 PolarHBondContact O-N 2.91Å
82S74.4Confident69.9Low56 Ų5685.4 Ų85.439%0.39246%0.462SS..Hα-helixtrans-67.5-43.2179.358.40000113.2S78 Y79 Q80 V85 V86S78-S82 PolarHBondContact O-N 3.29Å; S78-S82 PolarHBondContact O-OG 3.1Å; Y79-S82 WeakPolarHBondContact CA-OG 3.48Å; Y79-S82 PolarHBondContact O-N 2.92Å; Y79-S82 PolarHBondContact O-OG 3.48Å; Q80-S82 PolarHBondContact O-N 3.19Å; S82-V85 PolarHBondContact O-N 2.71Å; S82-V86 WeakPolarHBondContact O-CB 3.21Å; S82-V86 VanDerWaalsContact O-CG2 3.29Å; S82-V86 WeakPolarHBondContact O-CG2 3.16Å; S82-V86 PolarHBondContact O-N 2.86Å; S82-V86 VanDerWaalsContact O-N 3.08Å
83E68.1Low68.4Low42 Ų4291.7 Ų91.720%0.19649%0.485CS..Hα-helixtrans-66.4-38.7178.4-76-73.4167.800112Y79 Q80 V85 V86 H87Y79-E83 HydrophobicContact CD1-CG 4.47Å; Y79-E83 HydrophobicContact CD2-CG 4.28Å; Y79-E83 HydrophobicContact CE1-CG 3.89Å; Y79-E83 HydrophobicContact CE2-CG 3.64Å; Y79-E83 WeakPolarHBondContact CE2-OE1 3.35Å; Y79-E83 VanDerWaalsContact CZ-CG 3.41Å; Y79-E83 PolarHBondContact O-N 2.91Å; Y79-E83 WeakPolarHBondContact OH-CG 3.4Å; Y79-E83 PolarHBondContact OH-OE1 3.45Å; Q80-E83 PolarHBondContact O-N 3.14Å; E83-V85 PolarHBondContact O-N 2.82Å; E83-V86 PolarHBondContact O-N 3.29Å; E83-H87 PolarHBondContact O-N 3.08Å
84Q67.7Low67Low146 Ų14691.8 Ų91.868%0.68248%0.481SS*.Hα-helixtrans-62.4-28176.3-158.888.8-5.600112.4Q80Q80-Q84 VanDerWaalsContact O-CB 3.24Å; Q80-Q84 WeakPolarHBondContact O-CB 3.37Å; Q80-Q84 PolarHBondContact O-N 3.5Å
85V70.2Confident65.8Low118 Ų11889 Ų8972%0.71547%0.471SS*.Hα-helixtrans-85.8-34178.6169.70000112.4I81 S82 E83I81-V85 VanDerWaalsContact O-CG2 3.29Å; I81-V85 WeakPolarHBondContact O-CG2 3.19Å; I81-V85 PolarHBondContact O-N 2.91Å; S82-V85 PolarHBondContact O-N 2.71Å; E83-V85 PolarHBondContact O-N 2.82Å
86V67.6Low64.6Low93 Ų9395.1 Ų95.156%0.56450%0.497SS*.Hα-helixtrans-96.2-36.6-165.8175.70000114.6S82 E83S82-V86 WeakPolarHBondContact O-CB 3.21Å; S82-V86 VanDerWaalsContact O-CG2 3.29Å; S82-V86 WeakPolarHBondContact O-CG2 3.16Å; S82-V86 PolarHBondContact O-N 2.86Å; S82-V86 VanDerWaalsContact O-N 3.08Å; E83-V86 PolarHBondContact O-N 3.29Å
87H57.4Low63.9Low95 Ų9599.4 Ų99.444%0.4451%0.511SS..  trans-137.1111.8-168.8-74.9-27.2000115.8E83 R110E83-H87 PolarHBondContact O-N 3.08Å; H87-R110 PolarHBondContact O-NH2 2.92Å
88K51.3Low63Low188 Ų188101.9 Ų101.982%0.81752%0.524SS*.  trans-96.8-22.5-163.4-133.6173.6-174.5177.70118.9
89N49.2Very low62.1Low158 Ų158101.6 Ų101.685%0.84552%0.516SS*.SBendtrans-151.1-3.7-166.9-108.1-8000124.7
90D51.7Low61.3Low108 Ų108102.2 Ų102.258%0.57852%0.524SS*.  trans-105123.1-176.3-87-48.9000116.2I94D90-I94 WeakPolarHBondContact O-CD1 3.35Å
91R48.6Very low60.8Low175 Ų175103.8 Ų103.866%0.6654%0.536SS*.SBendtrans-78.6-35.8175.3-82.1-179.9171.4163.6-5113.6T114R91-T114 PolarHBondContact NH2-OG1 2.81Å
92T50.7Low60.3Low121 Ų121102.7 Ų102.774%0.74253%0.531SS*.SBendtrans-81.7-28.5-174.842.60000113.2I94T92-I94 PolarHBondContact O-N 2.66Å
93Y53.8Low60.2Low141 Ų141104 Ų10455%0.55353%0.53SS*.SBendtrans-64.9-21.4179.8-170-100.1000113.5
94I55.6Low60.2Low36 Ų36104.5 Ų104.519%0.18553%0.53CS..SBendtrans-82.2-41.2-169.7-60.3170.9000112.7D90 T92 N96 T100 W288D90-I94 WeakPolarHBondContact O-CD1 3.35Å; T92-I94 PolarHBondContact O-N 2.66Å; I94-N96 PolarHBondContact O-N 3.07Å; I94-N96 VanDerWaalsContact O-N 3.13Å; I94-T100 HydrophobicContact CG2-CG2 4.27Å; I94-T100 PolarHBondContact O-OG1 2.78Å; I94-T100 VanDerWaalsContact O-OG1 3.07Å; I94-W288 HydrophobicContact CG2-CH2 4.47Å
95C60Low60.5Low61 Ų6197.8 Ų97.841%0.41250%0.499SS..THydrogen-bonded Turntrans-66.1-15.6-176.9-78.50000114.2C285C95-C285 HydrophobicContact CB-CB 4.05Å; C95-C285 WeakPolarHBondContact CB-SG 3.5Å; C95-C285 WeakPolarHBondContact SG-CB 3.45Å; C95-C285 CovalentContact SG-SG 2.07Å; C95-C285 PolarHBondContact SG-SG 3.06Å
96N58Low60.8Low157 Ų15794.7 Ų94.784%0.8448%0.478SS*.THydrogen-bonded Turntrans-105.13.1-169.5-150.417.6000114.6I94I94-N96 PolarHBondContact O-N 3.07Å; I94-N96 VanDerWaalsContact O-N 3.13Å
97R62.8Low60.9Low103 Ų10390.3 Ų90.339%0.38945%0.451SS..  trans-109.4118.6-174.7-173.8170.8178.4156-1.4111.7D99 T100R97-D99 HydrophobicContact CG-CB 4.28Å; R97-D99 IonicContact CZ-OD2 3.3Å; R97-D99 VanDerWaalsContact CZ-OD2 3.3Å; R97-D99 IonicContact NE-OD2 2.76Å; R97-D99 PolarHBondContact NE-OD2 3.46Å; R97-D99 IonicContact NH2-OD2 2.93Å; R97-D99 PolarHBondContact NH2-OD2 2.97Å; R97-D99 PolarHBondContact O-N 3.32Å; R97-D99 VanDerWaalsContact O-N 3.12Å; R97-T100 HydrophobicContact CB-CG2 4.09Å; R97-T100 HydrophobicContact CG-CG2 4.48Å; R97-T100 PolarHBondContact O-N 3.41Å; R97-T100 PolarHBondContact O-OG1 2.78Å
98S60.8Low61.7Low84 Ų8487.4 Ų87.459%0.58744%0.439SS*.Hα-helixtrans-44.8-45.3179.646.80000113.7T100 T101 L102S98-T100 PolarHBondContact O-N 3.46Å; S98-T101 PolarHBondContact O-N 3.23Å; S98-T101 VanDerWaalsContact O-N 3.09Å; S98-T101 PolarHBondContact O-OG1 3.47Å; S98-L102 PolarHBondContact O-N 2.61Å
99D63.7Low62.6Low66 Ų6679.9 Ų79.935%0.35341%0.409SS..Hα-helixtrans-56.9-39.6-176.6-46.2-18.1000111.5R97 T101 L102 F103R97-D99 HydrophobicContact CG-CB 4.28Å; R97-D99 IonicContact CZ-OD2 3.3Å; R97-D99 VanDerWaalsContact CZ-OD2 3.3Å; R97-D99 IonicContact NE-OD2 2.76Å; R97-D99 PolarHBondContact NE-OD2 3.46Å; R97-D99 IonicContact NH2-OD2 2.93Å; R97-D99 PolarHBondContact NH2-OD2 2.97Å; R97-D99 PolarHBondContact O-N 3.32Å; R97-D99 VanDerWaalsContact O-N 3.12Å; D99-T101 PolarHBondContact O-N 3.02Å; D99-L102 PolarHBondContact O-N 2.99Å; D99-F103 HydrophobicContact CB-CE2 4.38Å; D99-F103 WeakPolarHBondContact O-CD2 3.42Å; D99-F103 PolarHBondContact O-N 2.88Å
100T62.8Low63.4Low43 Ų4375.3 Ų75.326%0.26438%0.38SS..Hα-helixtrans-68.7-34.3-178.770.90000112I94 R97 S98 L102 R104I94-T100 HydrophobicContact CG2-CG2 4.27Å; I94-T100 PolarHBondContact O-OG1 2.78Å; I94-T100 VanDerWaalsContact O-OG1 3.07Å; R97-T100 HydrophobicContact CB-CG2 4.09Å; R97-T100 HydrophobicContact CG-CG2 4.48Å; R97-T100 PolarHBondContact O-N 3.41Å; R97-T100 PolarHBondContact O-OG1 2.78Å; S98-T100 PolarHBondContact O-N 3.46Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.3Å; T100-R104 WeakPolarHBondContact O-CB 3.48Å; T100-R104 PolarHBondContact O-N 2.69Å
101T63.7Low64.1Low71 Ų7174.6 Ų74.644%0.43637%0.371SS..Hα-helixtrans-67.4-34.9176.472.60000111.3S98 D99 S105S98-T101 PolarHBondContact O-N 3.23Å; S98-T101 VanDerWaalsContact O-N 3.09Å; S98-T101 PolarHBondContact O-OG1 3.47Å; D99-T101 PolarHBondContact O-N 3.02Å; T101-S105 WeakPolarHBondContact O-CB 3.18Å; T101-S105 PolarHBondContact O-N 2.87Å
102L68.1Low64.7Low95 Ų9567.7 Ų67.750%0.49735%0.347SS..Hα-helixtrans-71.3-48.9178.4-159.8150.2000110.3S98 D99 T100 R104 S105 I106S98-L102 PolarHBondContact O-N 2.61Å; D99-L102 PolarHBondContact O-N 2.99Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.3Å; L102-R104 PolarHBondContact O-N 3.21Å; L102-S105 PolarHBondContact O-N 3.05Å; L102-S105 PolarHBondContact O-OG 2.99Å; L102-I106 HydrophobicContact CD2-CD1 3.64Å; L102-I106 HydrophobicContact CD2-CG1 4.38Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 3Å
103F72.7Confident65Low84 Ų8467 Ų6737%0.36834%0.344SS..Hα-helixtrans-60.4-42173-68.7-57.4000113.1D99 S105 I106 G107 L108D99-F103 HydrophobicContact CB-CE2 4.38Å; D99-F103 WeakPolarHBondContact O-CD2 3.42Å; D99-F103 PolarHBondContact O-N 2.88Å; F103-S105 VanDerWaalsContact C-N 3.31Å; F103-S105 PolarHBondContact O-N 2.82Å; F103-I106 PolarHBondContact O-N 3.15Å; F103-G107 PolarHBondContact O-N 3.29Å; F103-L108 CarbonylContact C-O 3.52Å; F103-L108 HydrophobicContact CB-CB 4.34Å; F103-L108 HydrophobicContact CD1-CD1 4.11Å; F103-L108 PolarHBondContact O-N 3.05Å
104R68.6Low65Low52 Ų5264.8 Ų64.820%0.19635%0.345CS..Hα-helixtrans-57.1-41.8173.5-171.8173.393.5158.28.2111.9T100 L102 G107 S283T100-R104 WeakPolarHBondContact O-CB 3.48Å; T100-R104 PolarHBondContact O-N 2.69Å; L102-R104 PolarHBondContact O-N 3.21Å; R104-G107 PolarHBondContact O-N 3.42Å; R104-S283 PolarHBondContact NH1-O 2.99Å; R104-S283 PolarHBondContact NH2-O 3.49Å; R104-S283 PolarHBondContact NH2-OG 3.43Å
105S73.1Confident64.9Low4 Ų464.2 Ų64.23%0.02835%0.348CS..Hα-helixtrans-71.7-35.4178.277.40000113.6S29 F30 T101 L102 F103 G107S29-S105 WeakPolarHBondContact CA-O 3.32Å; S29-S105 WeakPolarHBondContact CB-O 3.46Å; F30-S105 WeakPolarHBondContact CD2-O 3.35Å; F30-S105 PolarHBondContact N-O 3.21Å; T101-S105 WeakPolarHBondContact O-CB 3.18Å; T101-S105 PolarHBondContact O-N 2.87Å; L102-S105 PolarHBondContact O-N 3.05Å; L102-S105 PolarHBondContact O-OG 2.99Å; F103-S105 VanDerWaalsContact C-N 3.31Å; F103-S105 PolarHBondContact O-N 2.82Å; S105-G107 VanDerWaalsContact C-N 3.28Å; S105-G107 PolarHBondContact O-N 2.87Å
106I77.1Confident64.6Low54 Ų5467.4 Ų67.428%0.27737%0.366SS..Hα-helixtrans-62.2-41.1172-70.1170.9000109.8S29 F30 L31 L102 F103 L108S29-I106 WeakPolarHBondContact CB-O 3.28Å; S29-I106 PolarHBondContact OG-O 2.89Å; F30-I106 PolarHBondContact N-O 3.38Å; L31-I106 HydrophobicContact CD1-CG2 4.07Å; L31-I106 WeakPolarHBondContact CD1-O 3.42Å; L31-I106 HydrophobicContact CG-CG2 4.25Å; L31-I106 VanDerWaalsContact CG-O 3.3Å; L31-I106 WeakPolarHBondContact CG-O 3.22Å; L31-I106 PolarHBondContact N-O 2.99Å; L31-I106 VanDerWaalsContact N-O 3.13Å; L102-I106 HydrophobicContact CD2-CD1 3.64Å; L102-I106 HydrophobicContact CD2-CG1 4.38Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 3Å; F103-I106 PolarHBondContact O-N 3.15Å; I106-L108 HydrophobicContact CG2-CD1 4.49Å; I106-L108 HydrophobicContact CG2-CG 4.18Å
107G70Confident64.7Low1 Ų166.9 Ų66.91%0.0136%0.356CS..THydrogen-bonded Turntrans11713.1-179.300000113.7R27 F103 R104 S105 V109R27-G107 VanDerWaalsContact CZ-O 3.24Å; R27-G107 PolarHBondContact NE-O 3.39Å; R27-G107 PolarHBondContact NH2-O 2.96Å; F103-G107 PolarHBondContact O-N 3.29Å; R104-G107 PolarHBondContact O-N 3.42Å; S105-G107 VanDerWaalsContact C-N 3.28Å; S105-G107 PolarHBondContact O-N 2.87Å; G107-V109 PolarHBondContact O-N 2.97Å
108L74.2Confident64.4Low33 Ų3366 Ų6617%0.17336%0.357CS..  trans-86.599.3172.5-63.5-177.4000107.7V76 Y79 F103 I106V76-L108 HydrophobicContact CG2-CD2 4.36Å; Y79-L108 HydrophobicContact CD1-CB 3.65Å; Y79-L108 HydrophobicContact CD1-CD2 4.41Å; Y79-L108 HydrophobicContact CD1-CG 4.49Å; Y79-L108 HydrophobicContact CD2-CB 4.03Å; Y79-L108 HydrophobicContact CD2-CD1 4.03Å; Y79-L108 VanDerWaalsContact CE1-C 3.48Å; Y79-L108 HydrophobicContact CE1-CB 3.82Å; Y79-L108 HydrophobicContact CE2-CB 4.22Å; Y79-L108 HydrophobicContact CG-CB 3.76Å; Y79-L108 HydrophobicContact CG-CD1 4.13Å; Y79-L108 HydrophobicContact CG-CD2 4.13Å; Y79-L108 HydrophobicContact CG-CG 4.21Å; F103-L108 CarbonylContact C-O 3.52Å; F103-L108 HydrophobicContact CB-CB 4.34Å; F103-L108 HydrophobicContact CD1-CD1 4.11Å; F103-L108 PolarHBondContact O-N 3.05Å; I106-L108 HydrophobicContact CG2-CD1 4.49Å; I106-L108 HydrophobicContact CG2-CG 4.18Å
109V69Low64.3Low31 Ų3162.7 Ų62.719%0.18833%0.334CS..  trans-121123.2-171.4-177.50000110Q80 G107Q80-V109 PolarHBondContact NE2-O 3.01Å; G107-V109 PolarHBondContact O-N 2.97Å
110R66.2Low64.4Low62 Ų6261.9 Ų61.923%0.23433%0.331CS..PPolyproline II helixtrans-60.2137.9-178.6-178.2-178.8-178.7159.611.3112.6H87 H112H87-R110 PolarHBondContact O-NH2 2.92Å; R110-H112 PolarHBondContact O-N 3.38Å
111F67.1Low64.6Low93 Ų9361 Ų6141%0.40832%0.323SS..PPolyproline II helixtrans-66.1116.9168.5179.5-92.8000111.3F123F111-F123 HydrophobicContact CD2-CD1 4.45Å; F111-F123 HydrophobicContact CD2-CE1 4.32Å; F111-F123 HydrophobicContact CE2-CE1 4Å
112H60.5Low64.7Low30 Ų3058 Ų5814%0.13931%0.305CS..PPolyproline II helixtrans-95.8133.2173.8-92.2-80.6000111.7R110 T114 S119 W288R110-H112 PolarHBondContact O-N 3.38Å; H112-T114 VanDerWaalsContact C-N 3.34Å; H112-T114 PolarHBondContact O-N 3.32Å; H112-S119 PolarHBondContact O-OG 2.8Å; H112-W288 AromaticContact CD2-CH2 3.85Å; H112-W288 AromaticContact NE2-CH2 3.29Å; H112-W288 VanDerWaalsContact NE2-CH2 3.29Å; H112-W288 WeakPolarHBondContact NE2-CH2 3.36Å; H112-W288 AromaticContact NE2-CZ2 3.58Å
113P56.4Low65Low106 Ų10657.4 Ų57.469%0.68830%0.299SS*.THydrogen-bonded Turntrans-82.61-176.530.2-33.5000115.2
114T54.3Low65.2Low95 Ų9556.5 Ų56.558%0.58330%0.297SS*.THydrogen-bonded Turntrans-127.517.8-166.5580000116.1R91 H112R91-T114 PolarHBondContact NH2-OG1 2.81Å; H112-T114 VanDerWaalsContact C-N 3.34Å; H112-T114 PolarHBondContact O-N 3.32Å
115G54.6Low65.7Low23 Ų2354 Ų5424%0.23729%0.288CS..  trans-152.897-179.300000113.2F117 E118 S119G115-F117 PolarHBondContact O-N 2.94Å; G115-E118 PolarHBondContact O-N 3.13Å; G115-E118 VanDerWaalsContact O-N 3.07Å; G115-S119 PolarHBondContact O-N 3.17Å; G115-S119 PolarHBondContact O-OG 3.15Å
116T53.1Low66.2Low128 Ų12854.4 Ų54.479%0.78529%0.289SS*.Hα-helixtrans-50.2-48.9-167.849.70000114.4T120T116-T120 WeakPolarHBondContact O-CG2 3.39Å; T116-T120 PolarHBondContact O-N 2.74Å; T116-T120 VanDerWaalsContact O-N 3.12Å; T116-T120 PolarHBondContact O-OG1 2.71Å
117F59.7Low66.5Low147 Ų14756.1 Ų56.165%0.64530%0.298SS*.Hα-helixtrans-70.2-42.4-180-163.1-106000112.2G115 T120 R121G115-F117 PolarHBondContact O-N 2.94Å; F117-T120 WeakPolarHBondContact CA-OG1 3.31Å; F117-T120 PolarHBondContact O-N 3.26Å; F117-T120 PolarHBondContact O-OG1 2.87Å; F117-R121 WeakPolarHBondContact O-CB 3.3Å; F117-R121 PolarHBondContact O-N 3.18Å
118E56.5Low67.3Low84 Ų8458.1 Ų58.139%0.39331%0.308SS..Hα-helixtrans-65.6-40.7178.8-60.4-163.613700112.4G115 R121G115-E118 PolarHBondContact O-N 3.13Å; G115-E118 VanDerWaalsContact O-N 3.07Å; E118-R121 WeakPolarHBondContact O-CB 3.38Å; E118-R121 PolarHBondContact O-N 2.99Å
119S58.9Low67.8Low15 Ų1556.6 Ų56.611%0.10530%0.3CS..Hα-helixtrans-58-50.8171.3-48.20000110.1H112 G115 R121 A122 F123H112-S119 PolarHBondContact O-OG 2.8Å; G115-S119 PolarHBondContact O-N 3.17Å; G115-S119 PolarHBondContact O-OG 3.15Å; S119-R121 VanDerWaalsContact C-N 3.28Å; S119-R121 PolarHBondContact O-N 3.28Å; S119-A122 PolarHBondContact O-N 2.92Å; S119-F123 VanDerWaalsContact C-CE1 3.44Å; S119-F123 WeakPolarHBondContact O-CD1 3.49Å; S119-F123 WeakPolarHBondContact O-CE1 3.23Å
120T65.6Low68.7Low48 Ų4856.9 Ų56.929%0.29430%0.302SS..Hα-helixtrans-61.5-34.6179.9590000113.4T116 F117 A122 F123 L124T116-T120 WeakPolarHBondContact O-CG2 3.39Å; T116-T120 PolarHBondContact O-N 2.74Å; T116-T120 VanDerWaalsContact O-N 3.12Å; T116-T120 PolarHBondContact O-OG1 2.71Å; F117-T120 WeakPolarHBondContact CA-OG1 3.31Å; F117-T120 PolarHBondContact O-N 3.26Å; F117-T120 PolarHBondContact O-OG1 2.87Å; T120-A122 PolarHBondContact O-N 2.94Å; T120-A122 VanDerWaalsContact O-N 3.17Å; T120-F123 VanDerWaalsContact CA-CZ 3.48Å; T120-F123 HydrophobicContact CG2-CE2 4.02Å; T120-F123 HydrophobicContact CG2-CZ 3.74Å; T120-F123 PolarHBondContact O-N 3.18Å; T120-L124 WeakPolarHBondContact O-CB 3.39Å; T120-L124 PolarHBondContact O-N 3.22Å
121R66.5Low69.7Low26 Ų2656.9 Ų56.910%0.09831%0.312CS..Hα-helixtrans-60.1-27.1-179.8-162.2174.4-169.8153.319.3113.6I26 F117 E118 S119 P125 M281I26-R121 HydrophobicContact CG2-CG 4.01Å; I26-R121 VanDerWaalsContact O-CZ 3.31Å; I26-R121 PolarHBondContact O-NE 3.42Å; I26-R121 PolarHBondContact O-NH2 3.48Å; F117-R121 WeakPolarHBondContact O-CB 3.3Å; F117-R121 PolarHBondContact O-N 3.18Å; E118-R121 WeakPolarHBondContact O-CB 3.38Å; E118-R121 PolarHBondContact O-N 2.99Å; S119-R121 VanDerWaalsContact C-N 3.28Å; S119-R121 PolarHBondContact O-N 3.28Å; R121-P125 WeakPolarHBondContact O-CD 3.28Å; R121-M281 PolarHBondContact NH2-SD 3.2Å
122A66.6Low70.6Confident8 Ų853 Ų537%0.06630%0.296CS..Hα-helixtrans-72.8-38.8178.900000113.3R27 S119 T120R27-A122 PolarHBondContact NH1-O 3.5Å; S119-A122 PolarHBondContact O-N 2.92Å; T120-A122 PolarHBondContact O-N 2.94Å; T120-A122 VanDerWaalsContact O-N 3.17Å
123F75.1Confident71.8Confident82 Ų8251.5 Ų51.536%0.3629%0.29SS..Hα-helixtrans-110.3-25.5-171.554.9-104.7000115.3F111 S119 T120 P125 E126 I127F111-F123 HydrophobicContact CD2-CD1 4.45Å; F111-F123 HydrophobicContact CD2-CE1 4.32Å; F111-F123 HydrophobicContact CE2-CE1 4Å; S119-F123 VanDerWaalsContact C-CE1 3.44Å; S119-F123 WeakPolarHBondContact O-CD1 3.49Å; S119-F123 WeakPolarHBondContact O-CE1 3.23Å; T120-F123 VanDerWaalsContact CA-CZ 3.48Å; T120-F123 HydrophobicContact CG2-CE2 4.02Å; T120-F123 HydrophobicContact CG2-CZ 3.74Å; T120-F123 PolarHBondContact O-N 3.18Å; F123-P125 VanDerWaalsContact C-CD 3.43Å; F123-E126 PolarHBondContact O-N 3.01Å; F123-I127 HydrophobicContact CD2-CD1 3.91Å; F123-I127 PolarHBondContact O-N 3.44Å
124L76.9Confident73.3Confident64 Ų6450.6 Ų50.634%0.33528%0.279SS..Hα-helixtrans-56.8-39.9-179.4-176.267.2000114.3I26 T120 E126 I127 I128I26-L124 HydrophobicContact CD1-CD2 4.12Å; I26-L124 HydrophobicContact CD1-CG 4.41Å; T120-L124 WeakPolarHBondContact O-CB 3.39Å; T120-L124 PolarHBondContact O-N 3.22Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 3.28Å; L124-I127 PolarHBondContact O-N 3.2Å; L124-I128 HydrophobicContact CD1-CD1 4.06Å; L124-I128 HydrophobicContact CD1-CG1 4.3Å; L124-I128 HydrophobicContact CD2-CD1 4.43Å; L124-I128 HydrophobicContact CG-CD1 3.81Å; L124-I128 HydrophobicContact CG-CG1 4.44Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.32Å
125P78.3Confident74.9Confident0 Ų049.9 Ų49.90%027%0.271CS..Hα-helixtrans-57.9-43.5176.2-24.633.9000113.2A23 I26 R27 R121 F123 I128 A129A23-P125 HydrophobicContact CB-CB 4.05Å; I26-P125 HydrophobicContact CB-CG 4.06Å; I26-P125 HydrophobicContact CG2-CG 3.67Å; R27-P125 HydrophobicContact CB-CG 3.84Å; R121-P125 WeakPolarHBondContact O-CD 3.28Å; F123-P125 VanDerWaalsContact C-CD 3.43Å; P125-I128 PolarHBondContact O-N 3.49Å; P125-A129 WeakPolarHBondContact O-CB 3.43Å; P125-A129 PolarHBondContact O-N 2.98Å
126E83Confident76.3Confident12 Ų1248.8 Ų48.86%0.05626%0.259CS..Hα-helixtrans-66.2-40.7-177.7-50.6-60.1159.200110.3R27 Y35 V72 F123 L124 T130R27-E126 IonicContact CZ-OE1 2.75Å; R27-E126 IonicContact NH1-OE1 3.18Å; R27-E126 PolarHBondContact NH1-OE1 3.34Å; R27-E126 IonicContact NH2-OE1 2.72Å; R27-E126 PolarHBondContact NH2-OE1 2.99Å; Y35-E126 PolarHBondContact OH-OE2 3.27Å; V72-E126 WeakPolarHBondContact CG1-OE1 3.39Å; V72-E126 WeakPolarHBondContact CG1-OE2 3.42Å; F123-E126 PolarHBondContact O-N 3.01Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E126 PolarHBondContact O-N 3.28Å; E126-T130 VanDerWaalsContact O-CB 3.3Å; E126-T130 WeakPolarHBondContact O-CB 3.45Å; E126-T130 VanDerWaalsContact O-CG2 3.28Å; E126-T130 WeakPolarHBondContact O-CG2 3.27Å; E126-T130 PolarHBondContact O-N 3.35Å; E126-T130 PolarHBondContact O-OG1 3.39Å
127I84.8Confident77.8Confident91 Ų9143.9 Ų43.947%0.46723%0.228SC..Hα-helixtrans-64.6-46176.8-62.6170.9000110.9F123 L124 T130 S131F123-I127 HydrophobicContact CD2-CD1 3.91Å; F123-I127 PolarHBondContact O-N 3.44Å; L124-I127 PolarHBondContact O-N 3.2Å; I127-T130 PolarHBondContact O-OG1 2.84Å; I127-S131 WeakPolarHBondContact O-CB 3.36Å; I127-S131 PolarHBondContact O-N 3.07Å; I127-S131 PolarHBondContact O-OG 2.89Å
128I86.3Confident79Confident43 Ų4340.4 Ų40.422%0.22122%0.215CC..Hα-helixtrans-63.2-47.1179-68.7169.2000110.5A19 I26 L124 P125 S131 A132A19-I128 HydrophobicContact CB-CG2 3.96Å; A19-I128 WeakPolarHBondContact O-CG2 3.17Å; I26-I128 HydrophobicContact CD1-CD1 3.7Å; L124-I128 HydrophobicContact CD1-CD1 4.06Å; L124-I128 HydrophobicContact CD1-CG1 4.3Å; L124-I128 HydrophobicContact CD2-CD1 4.43Å; L124-I128 HydrophobicContact CG-CD1 3.81Å; L124-I128 HydrophobicContact CG-CG1 4.44Å; L124-I128 WeakPolarHBondContact O-CG1 3.46Å; L124-I128 PolarHBondContact O-N 3.32Å; P125-I128 PolarHBondContact O-N 3.49Å; I128-S131 PolarHBondContact O-OG 3.17Å; I128-A132 VanDerWaalsContact O-CB 3.28Å; I128-A132 WeakPolarHBondContact O-CB 3.41Å; I128-A132 PolarHBondContact O-N 3.2Å; I128-A132 VanDerWaalsContact O-N 3.12Å
129A85Confident80.2Confident0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-68.1-47.2-177.400000112.3A23 Y35 C69 P125 A133A23-A129 HydrophobicContact CB-CB 4.2Å; Y35-A129 HydrophobicContact CE1-CB 4.08Å; C69-A129 HydrophobicContact CB-CB 4.43Å; P125-A129 WeakPolarHBondContact O-CB 3.43Å; P125-A129 PolarHBondContact O-N 2.98Å; A129-A133 VanDerWaalsContact O-CB 3.27Å; A129-A133 WeakPolarHBondContact O-CB 3.4Å; A129-A133 PolarHBondContact O-N 2.92Å
130T87.1Confident81Confident38 Ų3837.2 Ų37.223%0.23320%0.2CC..Hα-helixtrans-67-42179.554.40000112.8C69 A73 E126 I127 A133 L134C69-T130 HydrophobicContact CB-CG2 3.81Å; A73-T130 HydrophobicContact CB-CG2 4.23Å; E126-T130 VanDerWaalsContact O-CB 3.3Å; E126-T130 WeakPolarHBondContact O-CB 3.45Å; E126-T130 VanDerWaalsContact O-CG2 3.28Å; E126-T130 WeakPolarHBondContact O-CG2 3.27Å; E126-T130 PolarHBondContact O-N 3.35Å; E126-T130 PolarHBondContact O-OG1 3.39Å; I127-T130 PolarHBondContact O-OG1 2.84Å; T130-A133 PolarHBondContact O-N 3.37Å; T130-L134 WeakPolarHBondContact O-CB 3.43Å; T130-L134 PolarHBondContact O-N 3.48Å
131S86.8Confident81.4Confident62 Ų6239 Ų3943%0.43421%0.206SC..Hα-helixtrans-66.8-42178.662.20000112.5I127 I128 L134 L135I127-S131 WeakPolarHBondContact O-CB 3.36Å; I127-S131 PolarHBondContact O-N 3.07Å; I127-S131 PolarHBondContact O-OG 2.89Å; I128-S131 PolarHBondContact O-OG 3.17Å; S131-L134 PolarHBondContact O-N 3.02Å; S131-L135 WeakPolarHBondContact O-CB 3.48Å; S131-L135 PolarHBondContact O-N 3.44Å
132A86.4Confident81.7Confident10 Ų1045.7 Ų45.78%0.08324%0.236CC..Hα-helixtrans-64.8-43.7174.500000111.8L16 A19 I128 L135 T136L16-A132 HydrophobicContact CD1-CB 4.44Å; A19-A132 HydrophobicContact CB-CB 3.41Å; A19-A132 VanDerWaalsContact CB-CB 3.41Å; I128-A132 VanDerWaalsContact O-CB 3.28Å; I128-A132 WeakPolarHBondContact O-CB 3.41Å; I128-A132 PolarHBondContact O-N 3.2Å; I128-A132 VanDerWaalsContact O-N 3.12Å; A132-L135 PolarHBondContact O-N 2.95Å; A132-T136 WeakPolarHBondContact O-CG2 3.38Å; A132-T136 PolarHBondContact O-N 3.01Å; A132-T136 PolarHBondContact O-OG1 3.33Å
133A86.1Confident81.8Confident0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-59.6-47.4175.900000111.6T65 F66 A129 T130 T136 I137T65-A133 HydrophobicContact CG2-CB 4.48Å; F66-A133 HydrophobicContact CB-CB 4.18Å; F66-A133 HydrophobicContact CD2-CB 4.24Å; A129-A133 VanDerWaalsContact O-CB 3.27Å; A129-A133 WeakPolarHBondContact O-CB 3.4Å; A129-A133 PolarHBondContact O-N 2.92Å; T130-A133 PolarHBondContact O-N 3.37Å; A133-T136 PolarHBondContact O-N 3.5Å; A133-T136 PolarHBondContact O-OG1 2.94Å; A133-I137 PolarHBondContact O-N 2.98Å
134L88.2Confident80.9Confident87 Ų8747.2 Ų47.246%0.45525%0.253SS..Hα-helixtrans-59.9-46.9176.3-173.872.4000112.2F66 T130 S131 T136 I137 I138F66-L134 HydrophobicContact CE2-CD1 4.19Å; T130-L134 WeakPolarHBondContact O-CB 3.43Å; T130-L134 PolarHBondContact O-N 3.48Å; S131-L134 PolarHBondContact O-N 3.02Å; L134-T136 VanDerWaalsContact C-N 3.29Å; L134-T136 PolarHBondContact O-N 2.97Å; L134-I137 WeakPolarHBondContact O-CB 3.35Å; L134-I137 PolarHBondContact O-N 3.49Å; L134-I138 HydrophobicContact CG-CD1 4.11Å; L134-I138 WeakPolarHBondContact O-CG1 3.37Å; L134-I138 PolarHBondContact O-N 2.89Å
135L86.8Confident79.9Confident80 Ų8047.1 Ų47.142%0.41925%0.251SS..Hα-helixtrans-59.5-41.3177.4-16984.6000111.4L15 S131 A132 I138 I139L15-L135 HydrophobicContact CD2-CD2 3.64Å; S131-L135 WeakPolarHBondContact O-CB 3.48Å; S131-L135 PolarHBondContact O-N 3.44Å; A132-L135 PolarHBondContact O-N 2.95Å; L135-I138 PolarHBondContact O-N 3.31Å; L135-I139 HydrophobicContact CD1-CD1 4.49Å; L135-I139 HydrophobicContact CD2-CD1 4.2Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 3.45Å; L135-I139 PolarHBondContact O-N 3.41Å
136T83.9Confident78.3Confident0 Ų055 Ų550%028%0.281CS..Hα-helixtrans-69.1-36.4177.9670000112.7V11 L16 A132 A133 L134 V140V11-T136 HydrophobicContact CG1-CG2 3.38Å; L16-T136 HydrophobicContact CB-CG2 3.93Å; L16-T136 HydrophobicContact CD1-CG2 4.13Å; L16-T136 HydrophobicContact CD2-CG2 4.41Å; L16-T136 HydrophobicContact CG-CG2 4.39Å; A132-T136 WeakPolarHBondContact O-CG2 3.38Å; A132-T136 PolarHBondContact O-N 3.01Å; A132-T136 PolarHBondContact O-OG1 3.33Å; A133-T136 PolarHBondContact O-N 3.5Å; A133-T136 PolarHBondContact O-OG1 2.94Å; L134-T136 VanDerWaalsContact C-N 3.29Å; L134-T136 PolarHBondContact O-N 2.97Å; T136-V140 VanDerWaalsContact O-CB 3.22Å; T136-V140 WeakPolarHBondContact O-CB 3.38Å; T136-V140 VanDerWaalsContact O-CG2 3.23Å; T136-V140 WeakPolarHBondContact O-CG2 2.89Å; T136-V140 PolarHBondContact O-N 3.21Å
137I85.2Confident76.3Confident24 Ų2461.4 Ų61.412%0.12332%0.315CS..Hα-helixtrans-57.3-50.8169.9-78.5174.5000110.5V62 F66 A133 L134 I139 V140 M141 F142V62-I137 HydrophobicContact CG1-CB 4.37Å; V62-I137 HydrophobicContact CG1-CG1 3.44Å; V62-I137 VanDerWaalsContact CG1-CG1 3.44Å; F66-I137 HydrophobicContact CB-CD1 3.42Å; F66-I137 VanDerWaalsContact CB-CD1 3.42Å; F66-I137 HydrophobicContact CD1-CD1 3.84Å; F66-I137 HydrophobicContact CD2-CD1 3.87Å; F66-I137 HydrophobicContact CG-CD1 3.43Å; F66-I137 VanDerWaalsContact CG-CD1 3.43Å; A133-I137 PolarHBondContact O-N 2.98Å; L134-I137 WeakPolarHBondContact O-CB 3.35Å; L134-I137 PolarHBondContact O-N 3.49Å; I137-I139 PolarHBondContact O-N 3Å; I137-V140 PolarHBondContact O-N 3.05Å; I137-M141 WeakPolarHBondContact O-CB 3.44Å; I137-M141 PolarHBondContact O-N 2.69Å; I137-F142 HydrophobicContact CG2-CE2 4.39Å
138I84.5Confident74.2Confident74 Ų7463.8 Ų63.838%0.37933%0.325SS..Iπ-helixtrans-59.5-51.7-178.4-67.2160.8000110.6L134 L135 V140 F142 L143L134-I138 HydrophobicContact CG-CD1 4.11Å; L134-I138 WeakPolarHBondContact O-CG1 3.37Å; L134-I138 PolarHBondContact O-N 2.89Å; L135-I138 PolarHBondContact O-N 3.31Å; I138-V140 VanDerWaalsContact C-N 3.34Å; I138-V140 PolarHBondContact O-N 3.3Å; I138-F142 WeakPolarHBondContact O-CB 3.42Å; I138-F142 PolarHBondContact O-N 3.02Å; I138-F142 VanDerWaalsContact O-N 3.09Å; I138-L143 HydrophobicContact CG2-CD1 4.22Å
139I81.2Confident71.6Confident26 Ų2670.2 Ų70.213%0.13335%0.354CS..Iπ-helixtrans-66.5-33.9-176-67.1173.2000112.7V3 K8 V11 L135 I137 L143V3-I139 HydrophobicContact CG1-CG2 4.43Å; K8-I139 WeakPolarHBondContact CE-O 3.43Å; K8-I139 HydrophobicContact CG-CG2 4.25Å; V11-I139 HydrophobicContact CG1-CD1 4.27Å; V11-I139 HydrophobicContact CG2-CD1 3.97Å; V11-I139 HydrophobicContact CG2-CG2 4.34Å; L135-I139 HydrophobicContact CD1-CD1 4.49Å; L135-I139 HydrophobicContact CD2-CD1 4.2Å; L135-I139 HydrophobicContact CG-CD1 3.92Å; L135-I139 WeakPolarHBondContact O-CG1 3.45Å; L135-I139 PolarHBondContact O-N 3.41Å; I137-I139 PolarHBondContact O-N 3Å; I139-L143 HydrophobicContact CG1-CD1 4.45Å
140V76.1Confident69.3Low6 Ų678 Ų784%0.03640%0.395CS..Iπ-helixtrans-90.4-40.9-174.6177.40000112.4V12 L54 T136 I137 I138V12-V140 HydrophobicContact CG2-CG2 3.72Å; L54-V140 HydrophobicContact CD1-CG1 4.01Å; L54-V140 HydrophobicContact CD2-CG1 3.54Å; L54-V140 HydrophobicContact CG-CG1 4.42Å; T136-V140 VanDerWaalsContact O-CB 3.22Å; T136-V140 WeakPolarHBondContact O-CB 3.38Å; T136-V140 VanDerWaalsContact O-CG2 3.23Å; T136-V140 WeakPolarHBondContact O-CG2 2.89Å; T136-V140 PolarHBondContact O-N 3.21Å; I137-V140 PolarHBondContact O-N 3.05Å; I138-V140 VanDerWaalsContact C-N 3.34Å; I138-V140 PolarHBondContact O-N 3.3Å
141M75.1Confident66.7Low85 Ų8583.4 Ų83.442%0.41942%0.422SS..Iπ-helixtrans-97.7-36.4-174.4-60.5-159.1174.500115G59 I63 I137G59-M141 WeakPolarHBondContact O-CE 3.38Å; I63-M141 HydrophobicContact CD1-CE 3.84Å; I63-M141 HydrophobicContact CG1-CE 3.73Å; I137-M141 WeakPolarHBondContact O-CB 3.44Å; I137-M141 PolarHBondContact O-N 2.69Å
142F72.6Confident64Low168 Ų16887 Ų8774%0.73744%0.441SS*.Iπ-helixtrans-92.9-13.7-172.4-81.5-88.4000115.1I137 I138I137-F142 HydrophobicContact CG2-CE2 4.39Å; I138-F142 WeakPolarHBondContact O-CB 3.42Å; I138-F142 PolarHBondContact O-N 3.02Å; I138-F142 VanDerWaalsContact O-N 3.09Å
143L68.2Low61.4Low35 Ų3593.2 Ų93.218%0.18348%0.478CS..SBendtrans-108111.6-172.8-78.1147.1000112M1 V3 K8 I138 I139M1-L143 HydrophobicContact CB-CD2 3.48Å; M1-L143 VanDerWaalsContact CB-CD2 3.48Å; M1-L143 WeakPolarHBondContact O-CD2 3.09Å; V3-L143 HydrophobicContact CG2-CB 3.93Å; V3-L143 HydrophobicContact CG2-CD1 4.1Å; V3-L143 HydrophobicContact CG2-CD2 3.98Å; V3-L143 HydrophobicContact CG2-CG 4.21Å; K8-L143 WeakPolarHBondContact CE-O 3.35Å; K8-L143 PolarHBondContact NZ-O 2.92Å; I138-L143 HydrophobicContact CG2-CD1 4.22Å; I139-L143 HydrophobicContact CG1-CD1 4.45Å
144S56.4Low58.7Low87 Ų8796.7 Ų96.761%0.60851%0.513SS*.  trans-71.1161.4-170.4-161.90000115.4
145H55.1Low55.9Low62 Ų62100.2 Ų100.229%0.28753%0.533SS..  trans-83155173.2-111.1-72.2000111.5
146R46.2Very low53.1Low164 Ų164103.2 Ų103.262%0.61955%0.554SS**  trans-100.7115.7167.3171.3176.8171.3147.7-2.3107.9T2 E148T2-R146 HydrophobicContact CG2-CB 4.41Å; R146-E148 IonicContact CZ-OE1 3.36Å; R146-E148 IonicContact CZ-OE2 2.77Å; R146-E148 IonicContact NE-OE1 3.18Å; R146-E148 IonicContact NE-OE2 2.67Å; R146-E148 PolarHBondContact NE-OE2 2.98Å; R146-E148 IonicContact NH2-OE1 2.7Å; R146-E148 PolarHBondContact NH2-OE1 3.24Å; R146-E148 IonicContact NH2-OE2 3.77Å; R146-E148 PolarHBondContact NH2-OE2 3.34Å
147D39.7Very low50.8Low147 Ų147109.2 Ų109.279%0.78659%0.59SS**  trans-87.7140.1165.5-65.8-40.9000109.1
148E41.9Very low48.1Very low141 Ų141114.7 Ų114.766%0.65963%0.625SS**  trans-149.6108.6177.1-157.8157.7-159.500107.9R146R146-E148 IonicContact CZ-OE1 3.36Å; R146-E148 IonicContact CZ-OE2 2.77Å; R146-E148 IonicContact NE-OE1 3.18Å; R146-E148 IonicContact NE-OE2 2.67Å; R146-E148 PolarHBondContact NE-OE2 2.98Å; R146-E148 IonicContact NH2-OE1 2.7Å; R146-E148 PolarHBondContact NH2-OE1 3.24Å; R146-E148 IonicContact NH2-OE2 3.77Å; R146-E148 PolarHBondContact NH2-OE2 3.34Å
149Q31.4Very low45.6Very low179 Ų179117.8 Ų117.884%0.83665%0.647SS**  trans-70.4138.9-178.4-62.7158.6-82.100110.1
150L36.7Very low43Very low164 Ų164128 Ų12886%0.85968%0.684SS**  trans-161110.5140.4-135.176.4000111.8
151D31.4Very low40.7Very low151 Ų151132.4 Ų132.481%0.80772%0.715SS**  trans5.9145.7158.8-53.3-39.7000123.3
152V31.6Very low38.6Very low137 Ų137136 Ų13683%0.8373%0.731SS**  trans-110.4165.8177.2179.40000108.6
153V31Very low36.6Very low141 Ų141133.5 Ų133.586%0.85573%0.734SS**  trans99.4114.7164.3-171.20000117
154G29.3Very low35Very low72 Ų72134.2 Ų134.274%0.74275%0.75SS**  111.2113.3121.600000118.9
155D29.6Very low33.8Very low162 Ų162139.2 Ų139.287%0.86676%0.755SS**  trans-56.9150174-59.3-63.1000116.4
156V28.9Very low32.9Very low142 Ų142144 Ų14486%0.86178%0.778SS**  -168.9143.8122.5158.90000109.6
157V35.7Very low32.5Very low127 Ų127143.7 Ų143.777%0.7778%0.783SS**  trans-84.1135.8-176.91750000112.5
158T27.4Very low32.1Very low138 Ų138145.9 Ų145.985%0.84778%0.781SS**  trans-137.8149.6149.648.20000112.2
159V32.8Very low31.9Very low140 Ų140148 Ų14885%0.84878%0.783SS**  trans-84.3136.4-177.3174.40000110.4
160R27Very low32.2Very low241 Ų241146.2 Ų146.291%0.90977%0.774SS**  trans163.3153.9138.3-168.6165.7-161.6139.2-0.2113.1
161S27.5Very low32.1Very low98 Ų98148.3 Ų148.369%0.68577%0.771SS**  trans83116.4171.6-157.90000118.1
162E30Very low32.3Very low161 Ų161147.6 Ų147.675%0.75276%0.76SS**  trans-97.2-5.4-171.6-64.9-171.4103.500115.5G164E162-G164 VanDerWaalsContact C-N 3.27Å; E162-G164 PolarHBondContact O-N 3.48Å; E162-G164 VanDerWaalsContact O-N 3.14Å
163S32Very low32.5Very low115 Ų115145.7 Ų145.780%0.80475%0.745SS**THydrogen-bonded Turntrans-71.2-9.6-167.356.30000116.2
164G33.5Very low32.7Very low50 Ų50141.7 Ų141.752%0.51573%0.727SS.*THydrogen-bonded Turntrans-92.42.3-175.900000116.5E162 E166E162-G164 VanDerWaalsContact C-N 3.27Å; E162-G164 PolarHBondContact O-N 3.48Å; E162-G164 VanDerWaalsContact O-N 3.14Å; G164-E166 PolarHBondContact O-N 3.46Å
165R30.8Very low33.2Very low192 Ų192141.2 Ų141.273%0.72572%0.716SS**Hα-helixtrans-76.3-25.1-160.2-139.7169.3-172.1161.10.7115.2R169R165-R169 WeakPolarHBondContact O-CB 3.32Å; R165-R169 PolarHBondContact O-N 2.97Å
166E36.2Very low33.6Very low163 Ų163138.1 Ų138.176%0.76270%0.698SS**Hα-helixtrans-87.4-47.6-177.4-78.7-178.3134.400114.6G164 R168 R169 Q170G164-E166 PolarHBondContact O-N 3.46Å; E166-R168 PolarHBondContact O-N 2.9Å; E166-R169 WeakPolarHBondContact O-CA 3.48Å; E166-R169 WeakPolarHBondContact O-CB 3.27Å; E166-R169 PolarHBondContact O-N 3.05Å; E166-Q170 PolarHBondContact O-N 3.09Å
167Q37.4Very low34Very low156 Ų156136.8 Ų136.873%0.72968%0.684SS**Hα-helixtrans-60.1-35.4177-91.8-179.2-1600112.3R169 R171Q167-R169 VanDerWaalsContact C-N 3.33Å; Q167-R171 PolarHBondContact O-N 2.74Å; Q167-R171 VanDerWaalsContact O-N 3.12Å
168R33.3Very low34.2Very low194 Ų194140.5 Ų140.573%0.73268%0.684SS**Hα-helixtrans-72.1-26.8174.7-143.6171.8-171.3-179.52112E166 K172E166-R168 PolarHBondContact O-N 2.9Å; R168-K172 VanDerWaalsContact O-CB 3.27Å; R168-K172 WeakPolarHBondContact O-CB 3.42Å; R168-K172 WeakPolarHBondContact O-CG 3.37Å; R168-K172 PolarHBondContact O-N 2.66Å
169R35.7Very low34.9Very low186 Ų186136.9 Ų136.970%0.70267%0.665SS**Hα-helixtrans-74.6-39.7174.6-144.7174-170-179.72111.7R165 E166 Q167 L173R165-R169 WeakPolarHBondContact O-CB 3.32Å; R165-R169 PolarHBondContact O-N 2.97Å; E166-R169 WeakPolarHBondContact O-CA 3.48Å; E166-R169 WeakPolarHBondContact O-CB 3.27Å; E166-R169 PolarHBondContact O-N 3.05Å; Q167-R169 VanDerWaalsContact C-N 3.33Å; R169-L173 VanDerWaalsContact O-CB 3.26Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 WeakPolarHBondContact O-CG 3.49Å; R169-L173 PolarHBondContact O-N 2.93Å
170Q37.7Very low35.2Very low141 Ų141132.8 Ų132.866%0.65965%0.645SS**Hα-helixtrans-68.5-44.9174.8-77.5179.2-22.500112.9E166 L173 A174E166-Q170 PolarHBondContact O-N 3.09Å; Q170-L173 PolarHBondContact O-N 3.27Å; Q170-A174 PolarHBondContact O-N 3.41Å
171R35.9Very low35.8Very low208 Ų208125 Ų12579%0.78562%0.621SS**Hα-helixtrans-65.8-37.5174.8-75.1-176.2176.7168.21112.3Q167 A175Q167-R171 PolarHBondContact O-N 2.74Å; Q167-R171 VanDerWaalsContact O-N 3.12Å; R171-A175 WeakPolarHBondContact O-CB 3.48Å; R171-A175 PolarHBondContact O-N 2.96Å; R171-A175 VanDerWaalsContact O-N 3.1Å
172K35.3Very low36.7Very low136 Ų136121.8 Ų121.859%0.59160%0.603SS**Hα-helixtrans-64.6-42.5169-80.6-169173.7-169.80111.7R168 A174 A175 I176R168-K172 VanDerWaalsContact O-CB 3.27Å; R168-K172 WeakPolarHBondContact O-CB 3.42Å; R168-K172 WeakPolarHBondContact O-CG 3.37Å; R168-K172 PolarHBondContact O-N 2.66Å; K172-A174 PolarHBondContact O-N 3.31Å; K172-A175 PolarHBondContact O-N 3.35Å; K172-I176 HydrophobicContact CB-CD1 4.12Å; K172-I176 WeakPolarHBondContact O-CB 3.39Å; K172-I176 WeakPolarHBondContact O-CD1 3.37Å; K172-I176 WeakPolarHBondContact O-CG1 3.41Å; K172-I176 PolarHBondContact O-N 3.09Å
173L35.2Very low37.5Very low97 Ų97117.9 Ų117.951%0.50859%0.587SS.*Hα-helixtrans-61.7-42177-89.2162.2000112.4R169 Q170 I176 M177R169-L173 VanDerWaalsContact O-CB 3.26Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 WeakPolarHBondContact O-CG 3.49Å; R169-L173 PolarHBondContact O-N 2.93Å; Q170-L173 PolarHBondContact O-N 3.27Å; L173-I176 PolarHBondContact O-N 3.23Å; L173-M177 WeakPolarHBondContact O-CA 3.28Å; L173-M177 WeakPolarHBondContact O-CB 3.34Å; L173-M177 PolarHBondContact O-N 2.79Å
174A35.9Very low38Very low57 Ų57115.4 Ų115.447%0.47157%0.57SS.*Hα-helixtrans-65.1-42.6175.500000112.1Q170 K172 M177 W178Q170-A174 PolarHBondContact O-N 3.41Å; K172-A174 PolarHBondContact O-N 3.31Å; A174-M177 PolarHBondContact O-N 3.25Å; A174-W178 WeakPolarHBondContact O-CB 3.45Å; A174-W178 PolarHBondContact O-N 3.05Å
175A38.9Very low38.7Very low61 Ų61117.9 Ų117.950%0.50457%0.571SS.*Hα-helixtrans-69.8-36.7176.700000113.1R171 K172 S179R171-A175 WeakPolarHBondContact O-CB 3.48Å; R171-A175 PolarHBondContact O-N 2.96Å; R171-A175 VanDerWaalsContact O-N 3.1Å; K172-A175 PolarHBondContact O-N 3.35Å; A175-S179 VanDerWaalsContact O-CB 3.25Å; A175-S179 WeakPolarHBondContact O-CB 3.49Å; A175-S179 PolarHBondContact O-N 3.5Å; A175-S179 PolarHBondContact O-OG 3.01Å; A175-S179 VanDerWaalsContact O-OG 3.14Å
176I39.1Very low40Very low97 Ų97115.3 Ų115.350%0.49756%0.561SS.*Hα-helixtrans-70.8-36.2173.8-69.8164.4000110.2K172 L173 S179 A180K172-I176 HydrophobicContact CB-CD1 4.12Å; K172-I176 WeakPolarHBondContact O-CB 3.39Å; K172-I176 WeakPolarHBondContact O-CD1 3.37Å; K172-I176 WeakPolarHBondContact O-CG1 3.41Å; K172-I176 PolarHBondContact O-N 3.09Å; L173-I176 PolarHBondContact O-N 3.23Å; I176-S179 WeakPolarHBondContact CA-OG 3.44Å; I176-S179 PolarHBondContact O-OG 3.37Å; I176-A180 WeakPolarHBondContact O-CA 3.43Å; I176-A180 WeakPolarHBondContact O-CB 3.11Å; I176-A180 PolarHBondContact O-N 2.78Å
177M36.3Very low41Very low114 Ų114117.5 Ų117.556%0.56256%0.563SS**Hα-helixtrans-70.6-43.3175.9-170.5-175.5-63.900110.6L173 A174 A180 I181L173-M177 WeakPolarHBondContact O-CA 3.28Å; L173-M177 WeakPolarHBondContact O-CB 3.34Å; L173-M177 PolarHBondContact O-N 2.79Å; A174-M177 PolarHBondContact O-N 3.25Å; M177-A180 PolarHBondContact O-N 3.23Å; M177-I181 HydrophobicContact CG-CD1 3.84Å; M177-I181 HydrophobicContact CG-CG1 4.49Å; M177-I181 WeakPolarHBondContact O-CB 3.12Å; M177-I181 WeakPolarHBondContact O-CD1 3.18Å; M177-I181 WeakPolarHBondContact O-CG1 3.4Å; M177-I181 PolarHBondContact O-N 3.48Å
178W39.5Very low42Very low206 Ų206114.6 Ų114.678%0.7855%0.551SS**Hα-helixtrans-68.3-33.9173.4-104.890.8000113.3A174 G182A174-W178 WeakPolarHBondContact O-CB 3.45Å; A174-W178 PolarHBondContact O-N 3.05Å; W178-G182 PolarHBondContact O-N 2.85Å
179S43.5Very low43.5Very low62 Ų62107.2 Ų107.243%0.43453%0.528SS..Hα-helixtrans-76.6-32.8174.275.20000112.5A175 I176 G182 N183A175-S179 VanDerWaalsContact O-CB 3.25Å; A175-S179 WeakPolarHBondContact O-CB 3.49Å; A175-S179 PolarHBondContact O-N 3.5Å; A175-S179 PolarHBondContact O-OG 3.01Å; A175-S179 VanDerWaalsContact O-OG 3.14Å; I176-S179 WeakPolarHBondContact CA-OG 3.44Å; I176-S179 PolarHBondContact O-OG 3.37Å; S179-G182 PolarHBondContact O-N 3.39Å; S179-N183 WeakPolarHBondContact O-CB 3.48Å; S179-N183 VanDerWaalsContact O-CG 3.24Å; S179-N183 PolarHBondContact O-N 2.98Å; S179-N183 PolarHBondContact O-ND2 3.35Å
180A39.1Very low45.1Very low53 Ų53100.6 Ų100.644%0.43851%0.507SS..Hα-helixtrans-71.7-38.1171.900000111.8I176 M177 S184I176-A180 WeakPolarHBondContact O-CA 3.43Å; I176-A180 WeakPolarHBondContact O-CB 3.11Å; I176-A180 PolarHBondContact O-N 2.78Å; M177-A180 PolarHBondContact O-N 3.23Å; A180-S184 WeakPolarHBondContact O-CA 3.3Å; A180-S184 WeakPolarHBondContact O-CB 3.5Å; A180-S184 PolarHBondContact O-N 2.81Å
181I40Very low46.7Very low78 Ų7899.5 Ų99.540%0.450%0.5SS..Hα-helixtrans-66.6-44170.5-72.1167000109.7M177 N183 S184 L185M177-I181 HydrophobicContact CG-CD1 3.84Å; M177-I181 HydrophobicContact CG-CG1 4.49Å; M177-I181 WeakPolarHBondContact O-CB 3.12Å; M177-I181 WeakPolarHBondContact O-CD1 3.18Å; M177-I181 WeakPolarHBondContact O-CG1 3.4Å; M177-I181 PolarHBondContact O-N 3.48Å; I181-N183 PolarHBondContact O-N 3.49Å; I181-S184 WeakPolarHBondContact O-CB 3.41Å; I181-S184 PolarHBondContact O-N 3.1Å; I181-L185 HydrophobicContact CG2-CD1 3.64Å; I181-L185 WeakPolarHBondContact O-CB 3.44Å; I181-L185 VanDerWaalsContact O-CD1 3.3Å; I181-L185 WeakPolarHBondContact O-CD1 3.41Å; I181-L185 PolarHBondContact O-N 3.26Å
182G44.7Very low48.4Very low31 Ų3192.4 Ų92.432%0.3248%0.479SS..Hα-helixtrans-62.8-40.9175.500000113.3W178 S179 R186W178-G182 PolarHBondContact O-N 2.85Å; S179-G182 PolarHBondContact O-N 3.39Å; G182-R186 WeakPolarHBondContact O-CB 3.42Å; G182-R186 WeakPolarHBondContact O-CG 3.44Å; G182-R186 PolarHBondContact O-N 3.09Å
183N47Very low50.5Low78 Ų7886.5 Ų86.542%0.41745%0.454SS..Hα-helixtrans-75.9-30.8175.5-74.3-26.1000112.5S179 I181 R186 R187S179-N183 WeakPolarHBondContact O-CB 3.48Å; S179-N183 VanDerWaalsContact O-CG 3.24Å; S179-N183 PolarHBondContact O-N 2.98Å; S179-N183 PolarHBondContact O-ND2 3.35Å; I181-N183 PolarHBondContact O-N 3.49Å; N183-R186 PolarHBondContact O-N 3.25Å; N183-R187 WeakPolarHBondContact O-CG 3.37Å; N183-R187 PolarHBondContact O-N 3.22Å
184S43.2Very low52.6Low63 Ų6383.8 Ų83.844%0.44144%0.438SS..Hα-helixtrans-63.8-52.8169.4177.70000110.1A180 I181 R186 R187 L188A180-S184 WeakPolarHBondContact O-CA 3.3Å; A180-S184 WeakPolarHBondContact O-CB 3.5Å; A180-S184 PolarHBondContact O-N 2.81Å; I181-S184 WeakPolarHBondContact O-CB 3.41Å; I181-S184 PolarHBondContact O-N 3.1Å; S184-R186 VanDerWaalsContact C-N 3.3Å; S184-R186 PolarHBondContact O-N 2.92Å; S184-R187 CarbonylContact O-C 3.59Å; S184-R187 PolarHBondContact O-N 3.49Å; S184-L188 WeakPolarHBondContact O-CB 3.39Å; S184-L188 PolarHBondContact O-N 3.42Å
185L49.2Very low54.6Low102 Ų10284.8 Ų84.853%0.53444%0.435SS..Hα-helixtrans-56.8-40.1172.3-96.398.4000111.9I181 R187 L188 T189I181-L185 HydrophobicContact CG2-CD1 3.64Å; I181-L185 WeakPolarHBondContact O-CB 3.44Å; I181-L185 VanDerWaalsContact O-CD1 3.3Å; I181-L185 WeakPolarHBondContact O-CD1 3.41Å; I181-L185 PolarHBondContact O-N 3.26Å; L185-R187 VanDerWaalsContact C-N 3.31Å; L185-R187 PolarHBondContact O-N 3.2Å; L185-L188 PolarHBondContact O-N 2.8Å; L185-T189 VanDerWaalsContact O-CB 3.25Å; L185-T189 WeakPolarHBondContact O-CB 3.44Å; L185-T189 WeakPolarHBondContact O-CG2 3.48Å; L185-T189 PolarHBondContact O-N 3.4Å; L185-T189 PolarHBondContact O-OG1 3.15Å
186R56.5Low56.8Low138 Ų13884.1 Ų84.152%0.52142%0.421SS..Hα-helixtrans-63.5-31.2174.4-81.9176.3169.3-178.9-3.7113.9G182 N183 S184 T189G182-R186 WeakPolarHBondContact O-CB 3.42Å; G182-R186 WeakPolarHBondContact O-CG 3.44Å; G182-R186 PolarHBondContact O-N 3.09Å; N183-R186 PolarHBondContact O-N 3.25Å; S184-R186 VanDerWaalsContact C-N 3.3Å; S184-R186 PolarHBondContact O-N 2.92Å; R186-T189 WeakPolarHBondContact CA-OG1 3.31Å; R186-T189 PolarHBondContact O-OG1 3.25Å
187R58Low59.2Low209 Ų20979.7 Ų79.779%0.78940%0.399SS*.Hα-helixtrans-80.7-45.1174.3-72.5178-179.7-178.61.7111.5N183 S184 L185 T189 N190N183-R187 WeakPolarHBondContact O-CG 3.37Å; N183-R187 PolarHBondContact O-N 3.22Å; S184-R187 CarbonylContact O-C 3.59Å; S184-R187 PolarHBondContact O-N 3.49Å; L185-R187 VanDerWaalsContact C-N 3.31Å; L185-R187 PolarHBondContact O-N 3.2Å; R187-T189 VanDerWaalsContact C-N 3.35Å; R187-T189 PolarHBondContact O-N 3.05Å; R187-N190 PolarHBondContact O-N 3.4Å
188L57.6Low61.5Low95 Ų9574.8 Ų74.850%0.49738%0.376SS..Hα-helixtrans-68.8-30.6-178.2-164.4140.7000112S184 L185 N190 F191 V192S184-L188 WeakPolarHBondContact O-CB 3.39Å; S184-L188 PolarHBondContact O-N 3.42Å; L185-L188 PolarHBondContact O-N 2.8Å; L188-N190 PolarHBondContact O-N 3.28Å; L188-F191 WeakPolarHBondContact O-CA 2.98Å; L188-F191 WeakPolarHBondContact O-CB 3.42Å; L188-F191 PolarHBondContact O-N 3.14Å; L188-V192 HydrophobicContact CD2-CG2 3.67Å; L188-V192 WeakPolarHBondContact O-CG2 3.26Å; L188-V192 PolarHBondContact O-N 3.43Å
189T66.2Low63.8Low39 Ų3969.4 Ų69.424%0.23936%0.357CS..Hα-helixtrans-63.8-22.5173.242.80000114L185 R186 R187 L193 Q326L185-T189 VanDerWaalsContact O-CB 3.25Å; L185-T189 WeakPolarHBondContact O-CB 3.44Å; L185-T189 WeakPolarHBondContact O-CG2 3.48Å; L185-T189 PolarHBondContact O-N 3.4Å; L185-T189 PolarHBondContact O-OG1 3.15Å; R186-T189 WeakPolarHBondContact CA-OG1 3.31Å; R186-T189 PolarHBondContact O-OG1 3.25Å; R187-T189 VanDerWaalsContact C-N 3.35Å; R187-T189 PolarHBondContact O-N 3.05Å; T189-L193 VanDerWaalsContact O-CB 3.27Å; T189-L193 WeakPolarHBondContact O-CB 3.1Å; T189-L193 PolarHBondContact O-N 2.93Å; T189-Q326 PolarHBondContact OG1-NE2 3.49Å
190N68.7Low65.9Low47 Ų4766.5 Ų66.525%0.25134%0.336SS..Hα-helixtrans-71.8-35.6169.7-74.5-47000111.8R187 L188 F194 Y234 K238 Q326R187-N190 PolarHBondContact O-N 3.4Å; L188-N190 PolarHBondContact O-N 3.28Å; N190-F194 PolarHBondContact O-N 3.46Å; N190-F194 VanDerWaalsContact O-N 3.14Å; N190-Y234 WeakPolarHBondContact OD1-CE1 3.26Å; N190-K238 PolarHBondContact OD1-NZ 3Å; N190-K238 VanDerWaalsContact OD1-NZ 3.16Å; N190-Q326 PolarHBondContact OD1-OE1 3.11Å; N190-Q326 VanDerWaalsContact OD1-OE1 3.13Å
191F71.5Confident68.1Low119 Ų11964 Ų6452%0.52232%0.315SS..Hα-helixtrans-72.5-41175.3177.3-104.4000111.6L188 L193 F194 L195L188-F191 WeakPolarHBondContact O-CA 2.98Å; L188-F191 WeakPolarHBondContact O-CB 3.42Å; L188-F191 PolarHBondContact O-N 3.14Å; F191-L193 VanDerWaalsContact C-N 3.35Å; F191-L193 PolarHBondContact O-N 3.37Å; F191-F194 HydrophobicContact CD2-CD1 4.47Å; F191-F194 WeakPolarHBondContact O-CB 3.44Å; F191-F194 PolarHBondContact O-N 3.39Å; F191-L195 HydrophobicContact CD1-CD1 4.11Å; F191-L195 HydrophobicContact CE1-CD1 3.48Å; F191-L195 VanDerWaalsContact CE1-CD1 3.48Å; F191-L195 HydrophobicContact CE1-CG 4.25Å; F191-L195 HydrophobicContact CE2-CD1 4.5Å; F191-L195 HydrophobicContact CE2-CG 4.5Å; F191-L195 HydrophobicContact CZ-CD1 3.71Å; F191-L195 HydrophobicContact CZ-CD2 4.47Å; F191-L195 HydrophobicContact CZ-CG 4.16Å; F191-L195 PolarHBondContact O-N 3.12Å
192V72.1Confident70.4Confident58 Ų5860.8 Ų60.835%0.35230%0.299SS..Hα-helixtrans-60.2-44.6171.5173.20000110.6L188 F194 L195 F196L188-V192 HydrophobicContact CD2-CG2 3.67Å; L188-V192 WeakPolarHBondContact O-CG2 3.26Å; L188-V192 PolarHBondContact O-N 3.43Å; V192-F194 VanDerWaalsContact C-N 3.28Å; V192-F194 PolarHBondContact O-N 3.02Å; V192-L195 PolarHBondContact O-N 2.66Å; V192-F196 WeakPolarHBondContact O-CB 3.47Å; V192-F196 PolarHBondContact O-N 3.06Å
193L78.4Confident72.3Confident12 Ų1259.3 Ų59.36%0.06328%0.284CS..Hα-helixtrans-60.4-38.6177.4-159.578.2000112.1T189 F191 F196 T197 K238 F319 L322 T323T189-L193 VanDerWaalsContact O-CB 3.27Å; T189-L193 WeakPolarHBondContact O-CB 3.1Å; T189-L193 PolarHBondContact O-N 2.93Å; F191-L193 VanDerWaalsContact C-N 3.35Å; F191-L193 PolarHBondContact O-N 3.37Å; L193-F196 PolarHBondContact O-N 3.28Å; L193-T197 PolarHBondContact O-N 3.42Å; L193-T197 PolarHBondContact O-OG1 2.95Å; L193-K238 HydrophobicContact CD2-CD 4.47Å; L193-K238 HydrophobicContact CD2-CG 4.45Å; L193-F319 HydrophobicContact CD1-CE2 4.47Å; L193-L322 HydrophobicContact CD1-CB 4.25Å; L193-T323 HydrophobicContact CD1-CG2 3.82Å; L193-T323 HydrophobicContact CD2-CG2 4.36Å; L193-T323 HydrophobicContact CG-CG2 4.43Å
194F79.8Confident74.1Confident40 Ų4057 Ų5718%0.17527%0.27CS..Hα-helixtrans-64-47.9175.9166.5-101.1000112.5N190 F191 V192 F196 T197 A198 F216 I219 S220N190-F194 PolarHBondContact O-N 3.46Å; N190-F194 VanDerWaalsContact O-N 3.14Å; F191-F194 HydrophobicContact CD2-CD1 4.47Å; F191-F194 WeakPolarHBondContact O-CB 3.44Å; F191-F194 PolarHBondContact O-N 3.39Å; V192-F194 VanDerWaalsContact C-N 3.28Å; V192-F194 PolarHBondContact O-N 3.02Å; F194-F196 VanDerWaalsContact C-N 3.32Å; F194-F196 PolarHBondContact O-N 3.03Å; F194-T197 WeakPolarHBondContact CA-OG1 3.22Å; F194-T197 PolarHBondContact O-N 2.95Å; F194-T197 PolarHBondContact O-OG1 3.18Å; F194-A198 PolarHBondContact O-N 3.2Å; F194-F216 HydrophobicContact CD2-CD2 4.29Å; F194-F216 HydrophobicContact CE1-CE2 4.03Å; F194-F216 AromaticContact CE2-CD2 3.69Å; F194-F216 HydrophobicContact CE2-CD2 3.69Å; F194-F216 AromaticContact CE2-CE2 3.84Å; F194-F216 HydrophobicContact CE2-CE2 3.84Å; F194-F216 AromaticContact CZ-CD2 3.84Å; F194-F216 HydrophobicContact CZ-CD2 3.84Å; F194-F216 AromaticContact CZ-CE2 3.47Å; F194-F216 HydrophobicContact CZ-CE2 3.47Å; F194-F216 VanDerWaalsContact CZ-CE2 3.47Å; F194-I219 HydrophobicContact CD2-CB 4.41Å; F194-I219 HydrophobicContact CD2-CG2 3.71Å; F194-I219 HydrophobicContact CE2-CB 4.34Å; F194-I219 HydrophobicContact CE2-CG2 3.85Å; F194-S220 WeakPolarHBondContact CE2-OG 3.35Å; F194-S220 VanDerWaalsContact CZ-OG 3.27Å; F194-S220 WeakPolarHBondContact CZ-OG 3.48Å
195L78.4Confident76Confident78 Ų7854.9 Ų54.941%0.40826%0.255SS..Hα-helixtrans-63.9-37.6174.1-68.8178.6000111.9F191 V192 T197 A198 Y199F191-L195 HydrophobicContact CD1-CD1 4.11Å; F191-L195 HydrophobicContact CE1-CD1 3.48Å; F191-L195 VanDerWaalsContact CE1-CD1 3.48Å; F191-L195 HydrophobicContact CE1-CG 4.25Å; F191-L195 HydrophobicContact CE2-CD1 4.5Å; F191-L195 HydrophobicContact CE2-CG 4.5Å; F191-L195 HydrophobicContact CZ-CD1 3.71Å; F191-L195 HydrophobicContact CZ-CD2 4.47Å; F191-L195 HydrophobicContact CZ-CG 4.16Å; F191-L195 PolarHBondContact O-N 3.12Å; V192-L195 PolarHBondContact O-N 2.66Å; L195-T197 VanDerWaalsContact C-N 3.34Å; L195-T197 PolarHBondContact O-N 2.63Å; L195-A198 WeakPolarHBondContact O-CB 3.36Å; L195-A198 PolarHBondContact O-N 3.32Å; L195-Y199 PolarHBondContact O-N 2.98Å
196F85.1Confident77.7Confident47 Ų4750.1 Ų50.121%0.20623%0.23CC..Hα-helixtrans-67.8-31.6177.7-143.3-95000112.2V192 L193 F194 Y199 V200 V315 V318 F319 L322V192-F196 WeakPolarHBondContact O-CB 3.47Å; V192-F196 PolarHBondContact O-N 3.06Å; L193-F196 PolarHBondContact O-N 3.28Å; F194-F196 VanDerWaalsContact C-N 3.32Å; F194-F196 PolarHBondContact O-N 3.03Å; F196-Y199 HydrophobicContact CE2-CD1 4.48Å; F196-Y199 PolarHBondContact O-N 2.92Å; F196-V200 HydrophobicContact CD1-CG2 3.83Å; F196-V200 HydrophobicContact CE1-CG2 4.15Å; F196-V200 WeakPolarHBondContact O-CG2 3.45Å; F196-V200 PolarHBondContact O-N 2.99Å; F196-V315 HydrophobicContact CE1-CG1 4.16Å; F196-V318 HydrophobicContact CE1-CB 4.43Å; F196-V318 HydrophobicContact CE1-CG1 4.07Å; F196-V318 HydrophobicContact CZ-CB 4.32Å; F196-V318 HydrophobicContact CZ-CG1 3.72Å; F196-F319 HydrophobicContact CD1-CB 4.1Å; F196-F319 AromaticContact CD1-CD2 3.96Å; F196-F319 HydrophobicContact CD1-CD2 3.96Å; F196-F319 HydrophobicContact CD1-CG 4.49Å; F196-F319 HydrophobicContact CE1-CB 4.07Å; F196-L322 HydrophobicContact CD1-CD1 4.38Å; F196-L322 HydrophobicContact CE1-CD1 4.34Å; F196-L322 HydrophobicContact CG-CD1 4.46Å; F196-L322 HydrophobicContact CZ-CD1 4.41Å
197T87.9Confident79.1Confident4 Ų446.9 Ų46.93%0.02522%0.223CC..Hα-helixtrans-62.6-39.5169.715.30000112.7L193 F194 L195 G201 L241 F319L193-T197 PolarHBondContact O-N 3.42Å; L193-T197 PolarHBondContact O-OG1 2.95Å; F194-T197 WeakPolarHBondContact CA-OG1 3.22Å; F194-T197 PolarHBondContact O-N 2.95Å; F194-T197 PolarHBondContact O-OG1 3.18Å; L195-T197 VanDerWaalsContact C-N 3.34Å; L195-T197 PolarHBondContact O-N 2.63Å; T197-G201 PolarHBondContact O-N 2.77Å; T197-L241 HydrophobicContact CG2-CD1 4.38Å; T197-F319 HydrophobicContact CG2-CE2 3.78Å; T197-F319 HydrophobicContact CG2-CZ 3.68Å
198A84.8Confident80.5Confident11 Ų1137.3 Ų37.39%0.09119%0.188CC..Hα-helixtrans-63.6-46.3174.200000110.7F194 L195 G201 I202 F216F194-A198 PolarHBondContact O-N 3.2Å; L195-A198 WeakPolarHBondContact O-CB 3.36Å; L195-A198 PolarHBondContact O-N 3.32Å; A198-G201 PolarHBondContact O-N 3.4Å; A198-G201 VanDerWaalsContact O-N 3.16Å; A198-I202 WeakPolarHBondContact O-CG1 3.08Å; A198-I202 PolarHBondContact O-N 3.33Å; A198-I202 VanDerWaalsContact O-N 3.08Å; A198-F216 HydrophobicContact CB-CB 4.38Å; A198-F216 HydrophobicContact CB-CD1 4.1Å; A198-F216 HydrophobicContact CB-CD2 3.57Å; A198-F216 HydrophobicContact CB-CE1 4.3Å; A198-F216 HydrophobicContact CB-CE2 3.77Å; A198-F216 HydrophobicContact CB-CG 3.73Å; A198-F216 HydrophobicContact CB-CZ 4.14Å
199Y87.3Confident81.9Confident94 Ų9432.8 Ų32.837%0.36916%0.164SC..Hα-helixtrans-59.9-48.5179.5-174.5-114000112.7L195 F196 G201 I202 V203 V315L195-Y199 PolarHBondContact O-N 2.98Å; F196-Y199 HydrophobicContact CE2-CD1 4.48Å; F196-Y199 PolarHBondContact O-N 2.92Å; Y199-G201 PolarHBondContact O-N 2.88Å; Y199-I202 PolarHBondContact O-N 3.07Å; Y199-I202 VanDerWaalsContact O-N 3.09Å; Y199-V203 HydrophobicContact CD1-CG2 4.11Å; Y199-V203 HydrophobicContact CD2-CG2 4.06Å; Y199-V203 HydrophobicContact CE1-CG2 3.75Å; Y199-V203 HydrophobicContact CE2-CG2 3.69Å; Y199-V203 HydrophobicContact CG-CG2 4.25Å; Y199-V203 VanDerWaalsContact O-CG2 3.32Å; Y199-V203 WeakPolarHBondContact O-CG2 3.44Å; Y199-V203 PolarHBondContact O-N 3.36Å; Y199-V315 HydrophobicContact CD1-CG1 3.9Å; Y199-V315 HydrophobicContact CD1-CG2 4.42Å; Y199-V315 HydrophobicContact CE1-CG1 4.01Å; Y199-V315 HydrophobicContact CE1-CG2 3.69Å
200V88.2Confident82.9Confident0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-59-35.7176.8-176.10000111.1F196 Y212 V315 V316 F319F196-V200 HydrophobicContact CD1-CG2 3.83Å; F196-V200 HydrophobicContact CE1-CG2 4.15Å; F196-V200 WeakPolarHBondContact O-CG2 3.45Å; F196-V200 PolarHBondContact O-N 2.99Å; V200-Y212 HydrophobicContact CB-CD2 4.29Å; V200-Y212 HydrophobicContact CB-CG 4.26Å; V200-Y212 HydrophobicContact CG1-CD1 4.26Å; V200-Y212 HydrophobicContact CG1-CD2 3.39Å; V200-Y212 HydrophobicContact CG1-CE1 4.44Å; V200-Y212 HydrophobicContact CG1-CE2 3.61Å; V200-Y212 HydrophobicContact CG1-CG 3.75Å; V200-V315 HydrophobicContact CB-CG1 4.18Å; V200-V315 HydrophobicContact CG1-CG1 4.41Å; V200-V315 HydrophobicContact CG2-CG1 3.57Å; V200-V316 HydrophobicContact CG1-CG2 4.23Å; V200-F319 HydrophobicContact CG2-CB 3.97Å; V200-F319 HydrophobicContact CG2-CD2 4.16Å; V200-F319 HydrophobicContact CG2-CG 4.02Å
201G85.9Confident83.9Confident0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-70.2-30.5176.500000114.7T197 A198 Y199T197-G201 PolarHBondContact O-N 2.77Å; A198-G201 PolarHBondContact O-N 3.4Å; A198-G201 VanDerWaalsContact O-N 3.16Å; Y199-G201 PolarHBondContact O-N 2.88Å
202I88.2Confident84.8Confident11 Ų1126.4 Ų26.46%0.05614%0.135CC..Hα-helixtrans-91.5-32.3-173.9-65164.6000112.6A198 Y199 K204 F213 V516 L519 T523A198-I202 WeakPolarHBondContact O-CG1 3.08Å; A198-I202 PolarHBondContact O-N 3.33Å; A198-I202 VanDerWaalsContact O-N 3.08Å; Y199-I202 PolarHBondContact O-N 3.07Å; Y199-I202 VanDerWaalsContact O-N 3.09Å; I202-K204 VanDerWaalsContact C-N 3.28Å; I202-K204 PolarHBondContact O-N 3.29Å; I202-K204 VanDerWaalsContact O-N 3.12Å; I202-F213 HydrophobicContact CG1-CD2 4.34Å; I202-F213 HydrophobicContact CG1-CE2 4.43Å; I202-V516 HydrophobicContact CG2-CB 4.46Å; I202-V516 HydrophobicContact CG2-CG1 4.3Å; I202-V516 HydrophobicContact CG2-CG2 4.48Å; I202-V516 WeakPolarHBondContact O-CG2 3.37Å; I202-L519 HydrophobicContact CG1-CB 4.31Å; I202-L519 HydrophobicContact CG2-CB 3.8Å; I202-L519 HydrophobicContact CG2-CD1 4.36Å; I202-T523 HydrophobicContact CD1-CG2 4.22Å
203V84.9Confident85.6Confident1 Ų123.9 Ų23.91%0.00612%0.119CC..SBendtrans-52.3-38.2-171.8160.80000114.3Y199 P308 A311 N312 V516Y199-V203 HydrophobicContact CD1-CG2 4.11Å; Y199-V203 HydrophobicContact CD2-CG2 4.06Å; Y199-V203 HydrophobicContact CE1-CG2 3.75Å; Y199-V203 HydrophobicContact CE2-CG2 3.69Å; Y199-V203 HydrophobicContact CG-CG2 4.25Å; Y199-V203 VanDerWaalsContact O-CG2 3.32Å; Y199-V203 WeakPolarHBondContact O-CG2 3.44Å; Y199-V203 PolarHBondContact O-N 3.36Å; V203-P308 WeakPolarHBondContact O-CB 3.41Å; V203-A311 HydrophobicContact CG1-CB 4.22Å; V203-N312 HydrophobicContact CG1-CB 4.2Å; V203-V516 WeakPolarHBondContact O-CG2 3.48Å
204K84.1Confident86.1Confident29 Ų2927.9 Ų27.913%0.12614%0.14CC..SBendtrans-144.3104.8170.4-178.5177.6171.872.40108.2I202 S206 N209 G276 N312I202-K204 VanDerWaalsContact C-N 3.28Å; I202-K204 PolarHBondContact O-N 3.29Å; I202-K204 VanDerWaalsContact O-N 3.12Å; K204-S206 PolarHBondContact O-N 2.66Å; K204-S206 VanDerWaalsContact O-N 3.14Å; K204-N209 WeakPolarHBondContact O-CB 3.05Å; K204-N209 PolarHBondContact O-ND2 3.32Å; K204-G276 WeakPolarHBondContact CE-O 3.39Å; K204-N312 HydrophobicContact CB-CB 4.45Å
205P83.7Confident86.4Confident18 Ų1826.9 Ų26.912%0.11714%0.139CC..  trans-62.7116.3177.625-33.7000109.9Y485 S488 A515P205-Y485 HydrophobicContact CB-CD2 4.41Å; P205-Y485 HydrophobicContact CB-CE2 3.96Å; P205-S488 WeakPolarHBondContact CB-OG 3.41Å; P205-S488 WeakPolarHBondContact CG-O 3.35Å; P205-A515 HydrophobicContact CG-CB 4.22Å
206S84.7Confident86.9Confident3 Ų323.5 Ų23.52%0.02112%0.121CC..SBendtrans-154.7169.5-179.268.90000110.3K204 S208 N209 S210 Y485K204-S206 PolarHBondContact O-N 2.66Å; K204-S206 VanDerWaalsContact O-N 3.14Å; S206-S208 VanDerWaalsContact C-N 3.28Å; S206-S208 PolarHBondContact O-N 2.94Å; S206-S208 PolarHBondContact OG-N 3.46Å; S206-S208 PolarHBondContact OG-OG 3.4Å; S206-N209 PolarHBondContact O-N 3.38Å; S206-N209 PolarHBondContact OG-N 3.42Å; S206-S210 WeakPolarHBondContact O-CB 3.36Å; S206-S210 PolarHBondContact O-N 2.77Å; S206-Y485 PolarHBondContact N-OH 2.69Å; S206-Y485 PolarHBondContact O-OH 2.97Å
207L86.4Confident87Confident70 Ų7021.8 Ų21.837%0.36611%0.114SC..Hα-helixtrans-63-35.9173.1-17363.2000111.8S210 L274 F275L207-S210 PolarHBondContact O-OG 2.93Å; L207-L274 HydrophobicContact CB-CD1 4.35Å; L207-L274 HydrophobicContact CB-CG 4.17Å; L207-L274 VanDerWaalsContact CB-O 3.24Å; L207-L274 WeakPolarHBondContact CB-O 3.45Å; L207-L274 HydrophobicContact CD2-CD1 4.41Å; L207-L274 HydrophobicContact CD2-CD2 3.93Å; L207-L274 HydrophobicContact CD2-CG 3.94Å; L207-L274 PolarHBondContact N-O 3.24Å; L207-F275 HydrophobicContact CD2-CD1 4.32Å; L207-F275 HydrophobicContact CD2-CE1 3.86Å; L207-F275 HydrophobicContact CD2-CZ 4.13Å; L207-F275 HydrophobicContact CG-CE1 4.49Å
208S86Confident86.9Confident7 Ų727 Ų275%0.04914%0.136CC..Hα-helixtrans-68-44.9176.949.80000112.7S206 S210 Y244 F275S206-S208 VanDerWaalsContact C-N 3.28Å; S206-S208 PolarHBondContact O-N 2.94Å; S206-S208 PolarHBondContact OG-N 3.46Å; S206-S208 PolarHBondContact OG-OG 3.4Å; S208-S210 VanDerWaalsContact C-N 3.32Å; S208-S210 PolarHBondContact O-N 3.47Å; S208-Y244 WeakPolarHBondContact CA-OH 3.44Å; S208-Y244 PolarHBondContact O-OH 3.44Å; S208-F275 PolarHBondContact OG-O 3.49Å
209N88.6Confident86.9Confident0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-76.4-19.3178.4-78.4-23.8000113.5K204 S206 I211 Y212 F213 H248 N312K204-N209 WeakPolarHBondContact O-CB 3.05Å; K204-N209 PolarHBondContact O-ND2 3.32Å; S206-N209 PolarHBondContact O-N 3.38Å; S206-N209 PolarHBondContact OG-N 3.42Å; N209-I211 PolarHBondContact O-N 3.07Å; N209-I211 VanDerWaalsContact O-N 3.1Å; N209-Y212 HydrophobicContact CB-CD2 4.4Å; N209-Y212 PolarHBondContact O-N 3.47Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.34Å; N209-F213 PolarHBondContact O-N 3.05Å; N209-H248 PolarHBondContact OD1-CE1 2.92Å; N209-N312 PolarHBondContact ND2-OD1 2.72Å
210S87.1Confident86.7Confident16 Ų1623.2 Ų23.211%0.11212%0.121CC..Hα-helixtrans-56.1-30.8176.977.90000112.7S206 L207 S208 Y212 F213 L214 Y485S206-S210 WeakPolarHBondContact O-CB 3.36Å; S206-S210 PolarHBondContact O-N 2.77Å; L207-S210 PolarHBondContact O-OG 2.93Å; S208-S210 VanDerWaalsContact C-N 3.32Å; S208-S210 PolarHBondContact O-N 3.47Å; S210-Y212 VanDerWaalsContact C-N 3.32Å; S210-Y212 PolarHBondContact O-N 3.21Å; S210-F213 PolarHBondContact O-N 3.34Å; S210-L214 VanDerWaalsContact O-CB 3.32Å; S210-L214 WeakPolarHBondContact O-CB 3.26Å; S210-L214 VanDerWaalsContact O-CG 3.28Å; S210-L214 WeakPolarHBondContact O-CG 3.4Å; S210-L214 PolarHBondContact O-N 3.32Å; S210-Y485 WeakPolarHBondContact CA-OH 3.41Å; S210-Y485 PolarHBondContact N-OH 2.87Å; S210-Y485 VanDerWaalsContact N-OH 3.08Å
211I89.8Confident86.5Confident56 Ų5625.1 Ų25.129%0.28713%0.133SC..Hα-helixtrans-65.9-33.9179-65.3-176.5000111.5N209 A215 F240 Y244N209-I211 PolarHBondContact O-N 3.07Å; N209-I211 VanDerWaalsContact O-N 3.1Å; I211-A215 VanDerWaalsContact O-CB 3.24Å; I211-A215 WeakPolarHBondContact O-CB 3.47Å; I211-A215 PolarHBondContact O-N 3.42Å; I211-A215 VanDerWaalsContact O-N 3.09Å; I211-F240 HydrophobicContact CG2-CE1 3.98Å; I211-F240 HydrophobicContact CG2-CZ 4.38Å; I211-Y244 HydrophobicContact CB-CE1 3.97Å; I211-Y244 HydrophobicContact CD1-CE1 4.26Å; I211-Y244 HydrophobicContact CD1-CE2 3.87Å; I211-Y244 HydrophobicContact CG2-CD1 4.08Å; I211-Y244 HydrophobicContact CG2-CE1 4.03Å
212Y90.5Very high86.5Confident0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-75.5-38.8174.2-50.7-67.5000111.8V200 N209 S210 A215 F216 L241 Y244 H248 F319V200-Y212 HydrophobicContact CB-CD2 4.29Å; V200-Y212 HydrophobicContact CB-CG 4.26Å; V200-Y212 HydrophobicContact CG1-CD1 4.26Å; V200-Y212 HydrophobicContact CG1-CD2 3.39Å; V200-Y212 HydrophobicContact CG1-CE1 4.44Å; V200-Y212 HydrophobicContact CG1-CE2 3.61Å; V200-Y212 HydrophobicContact CG1-CG 3.75Å; N209-Y212 HydrophobicContact CB-CD2 4.4Å; N209-Y212 PolarHBondContact O-N 3.47Å; N209-Y212 WeakPolarHBondContact OD1-CE2 3.34Å; S210-Y212 VanDerWaalsContact C-N 3.32Å; S210-Y212 PolarHBondContact O-N 3.21Å; Y212-A215 PolarHBondContact O-N 3.01Å; Y212-F216 PolarHBondContact O-N 3.36Å; Y212-L241 HydrophobicContact CD1-CD2 3.89Å; Y212-L241 HydrophobicContact CE1-CD2 4.17Å; Y212-Y244 AromaticContact CE1-CD1 3.71Å; Y212-Y244 HydrophobicContact CE1-CD1 3.71Å; Y212-Y244 HydrophobicContact CE1-CE1 4.05Å; Y212-Y244 HydrophobicContact CE2-CD1 4.42Å; Y212-Y244 AromaticContact CE2-CE1 3.94Å; Y212-Y244 HydrophobicContact CE2-CE1 3.94Å; Y212-Y244 AromaticContact CZ-CD1 3.61Å; Y212-Y244 AromaticContact CZ-CE1 3.57Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.28Å; Y212-Y244 WeakPolarHBondContact OH-CE1 3.43Å; Y212-H248 AromaticContact CE2-ND1 3.66Å; Y212-H248 AromaticContact CZ-ND1 3.88Å; Y212-H248 PolarHBondContact OH-ND1 3.4Å; Y212-H248 VanDerWaalsContact OH-ND1 3.15Å; Y212-F319 HydrophobicContact CD1-CE1 4.03Å; Y212-F319 HydrophobicContact CE1-CD1 4.19Å; Y212-F319 AromaticContact CE1-CE1 3.77Å; Y212-F319 HydrophobicContact CE1-CE1 3.77Å
213F88.4Confident86.3Confident4 Ų435.1 Ų35.12%0.01817%0.17CC..Hα-helixtrans-66.5-44.8177.2-173.6-112.3000112.2I202 N209 S210 A215 F216 L217 Y485 T523I202-F213 HydrophobicContact CG1-CD2 4.34Å; I202-F213 HydrophobicContact CG1-CE2 4.43Å; N209-F213 PolarHBondContact O-N 3.05Å; S210-F213 PolarHBondContact O-N 3.34Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 3.2Å; F213-F216 HydrophobicContact CD2-CD1 4.38Å; F213-F216 HydrophobicContact CE2-CD1 4.43Å; F213-F216 WeakPolarHBondContact O-CB 3.44Å; F213-F216 PolarHBondContact O-N 3.5Å; F213-L217 HydrophobicContact CD1-CD1 4.05Å; F213-L217 HydrophobicContact CE1-CD1 3.65Å; F213-L217 HydrophobicContact CE1-CG 4.31Å; F213-L217 HydrophobicContact CZ-CD1 4.12Å; F213-L217 HydrophobicContact CZ-CG 4.4Å; F213-L217 PolarHBondContact O-N 3.02Å; F213-Y485 HydrophobicContact CB-CE2 4.22Å; F213-Y485 AromaticContact CD1-CD2 3.81Å; F213-Y485 HydrophobicContact CD1-CD2 3.81Å; F213-Y485 HydrophobicContact CD1-CE2 4.18Å; F213-Y485 HydrophobicContact CD1-CG 4.04Å; F213-Y485 AromaticContact CE1-CD2 3.99Å; F213-Y485 HydrophobicContact CE1-CD2 3.99Å; F213-Y485 HydrophobicContact CE1-CG 4.08Å; F213-Y485 HydrophobicContact CG-CD2 4.11Å; F213-Y485 HydrophobicContact CG-CE2 4.14Å; F213-Y485 HydrophobicContact CZ-CD2 4.45Å; F213-T523 HydrophobicContact CE2-CG2 4.13Å
214L88.6Confident86.2Confident96 Ų9635 Ų3550%0.50317%0.17SC..Hα-helixtrans-64.2-37.3173.3-70.9171.4000111.9S210 L217 F218S210-L214 VanDerWaalsContact O-CB 3.32Å; S210-L214 WeakPolarHBondContact O-CB 3.26Å; S210-L214 VanDerWaalsContact O-CG 3.28Å; S210-L214 WeakPolarHBondContact O-CG 3.4Å; S210-L214 PolarHBondContact O-N 3.32Å; L214-L217 PolarHBondContact O-N 2.9Å; L214-F218 WeakPolarHBondContact O-CB 3.29Å; L214-F218 PolarHBondContact O-N 3.28Å
215A86.9Confident86.1Confident20 Ų2036.2 Ų36.217%0.16518%0.18CC..Hα-helixtrans-64.4-39172.200000112I211 Y212 F213 I219I211-A215 VanDerWaalsContact O-CB 3.24Å; I211-A215 WeakPolarHBondContact O-CB 3.47Å; I211-A215 PolarHBondContact O-N 3.42Å; I211-A215 VanDerWaalsContact O-N 3.09Å; Y212-A215 PolarHBondContact O-N 3.01Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 3.2Å; A215-I219 WeakPolarHBondContact O-CB 3.3Å; A215-I219 WeakPolarHBondContact O-CD1 3.45Å; A215-I219 WeakPolarHBondContact O-CG1 3.47Å; A215-I219 PolarHBondContact O-N 3.43Å
216F88.5Confident85.8Confident6 Ų638.2 Ų38.23%0.02619%0.185CC..Hα-helixtrans-63.8-48.7173.7160.8-103.8000112.2F194 A198 Y212 F213 I219 S220 T523F194-F216 HydrophobicContact CD2-CD2 4.29Å; F194-F216 HydrophobicContact CE1-CE2 4.03Å; F194-F216 AromaticContact CE2-CD2 3.69Å; F194-F216 HydrophobicContact CE2-CD2 3.69Å; F194-F216 AromaticContact CE2-CE2 3.84Å; F194-F216 HydrophobicContact CE2-CE2 3.84Å; F194-F216 AromaticContact CZ-CD2 3.84Å; F194-F216 HydrophobicContact CZ-CD2 3.84Å; F194-F216 AromaticContact CZ-CE2 3.47Å; F194-F216 HydrophobicContact CZ-CE2 3.47Å; F194-F216 VanDerWaalsContact CZ-CE2 3.47Å; A198-F216 HydrophobicContact CB-CB 4.38Å; A198-F216 HydrophobicContact CB-CD1 4.1Å; A198-F216 HydrophobicContact CB-CD2 3.57Å; A198-F216 HydrophobicContact CB-CE1 4.3Å; A198-F216 HydrophobicContact CB-CE2 3.77Å; A198-F216 HydrophobicContact CB-CG 3.73Å; A198-F216 HydrophobicContact CB-CZ 4.14Å; Y212-F216 PolarHBondContact O-N 3.36Å; F213-F216 HydrophobicContact CD2-CD1 4.38Å; F213-F216 HydrophobicContact CE2-CD1 4.43Å; F213-F216 WeakPolarHBondContact O-CB 3.44Å; F213-F216 PolarHBondContact O-N 3.5Å; F216-I219 PolarHBondContact O-N 3.15Å; F216-S220 WeakPolarHBondContact CE2-OG 3.14Å; F216-S220 WeakPolarHBondContact O-CB 3.32Å; F216-S220 PolarHBondContact O-N 3.02Å; F216-S220 PolarHBondContact O-OG 3.27Å; F216-T523 HydrophobicContact CE1-CG2 4.33Å
217L86.1Confident85.2Confident12 Ų1241.2 Ų41.26%0.06320%0.204CC..Hα-helixtrans-59.2-52.5175.8-71.1177.9000110.3F213 L214 I219 S220 T221 L481 I482 F530F213-L217 HydrophobicContact CD1-CD1 4.05Å; F213-L217 HydrophobicContact CE1-CD1 3.65Å; F213-L217 HydrophobicContact CE1-CG 4.31Å; F213-L217 HydrophobicContact CZ-CD1 4.12Å; F213-L217 HydrophobicContact CZ-CG 4.4Å; F213-L217 PolarHBondContact O-N 3.02Å; L214-L217 PolarHBondContact O-N 2.9Å; L217-I219 VanDerWaalsContact C-N 3.33Å; L217-I219 PolarHBondContact O-N 3.25Å; L217-S220 CarbonylContact O-C 3.48Å; L217-S220 WeakPolarHBondContact O-CA 3.46Å; L217-S220 WeakPolarHBondContact O-CB 3.48Å; L217-S220 PolarHBondContact O-N 3.19Å; L217-T221 PolarHBondContact O-N 3.2Å; L217-T221 PolarHBondContact O-OG1 3.49Å; L217-L481 HydrophobicContact CD2-CD1 4.25Å; L217-I482 HydrophobicContact CD1-CG1 4.23Å; L217-F530 HydrophobicContact CD2-CZ 4.47Å
218F86Confident84.3Confident112 Ų11243.4 Ų43.449%0.49122%0.222SC..Hα-helixtrans-54.5-44.8178.4-179.2-99.8000113L214 W222L214-F218 WeakPolarHBondContact O-CB 3.29Å; L214-F218 PolarHBondContact O-N 3.28Å; F218-W222 AromaticContact CE1-CE3 3.99Å; F218-W222 HydrophobicContact CE1-CE3 3.99Å; F218-W222 HydrophobicContact CE1-CZ3 4.43Å; F218-W222 AromaticContact CE2-CE3 3.98Å; F218-W222 HydrophobicContact CE2-CE3 3.98Å; F218-W222 HydrophobicContact CE2-CZ3 4.22Å; F218-W222 AromaticContact CZ-CE3 3.47Å; F218-W222 HydrophobicContact CZ-CE3 3.47Å; F218-W222 VanDerWaalsContact CZ-CE3 3.47Å; F218-W222 AromaticContact CZ-CZ3 3.64Å; F218-W222 HydrophobicContact CZ-CZ3 3.64Å; F218-W222 WeakPolarHBondContact O-CB 3.33Å; F218-W222 PolarHBondContact O-N 3.4Å
219I84.7Confident83.2Confident22 Ų2246 Ų4611%0.11324%0.235CC..Hα-helixtrans-67.5-36.6176.9-67.3165.3000111.2F194 A215 F216 L217 W223F194-I219 HydrophobicContact CD2-CB 4.41Å; F194-I219 HydrophobicContact CD2-CG2 3.71Å; F194-I219 HydrophobicContact CE2-CB 4.34Å; F194-I219 HydrophobicContact CE2-CG2 3.85Å; A215-I219 WeakPolarHBondContact O-CB 3.3Å; A215-I219 WeakPolarHBondContact O-CD1 3.45Å; A215-I219 WeakPolarHBondContact O-CG1 3.47Å; A215-I219 PolarHBondContact O-N 3.43Å; F216-I219 PolarHBondContact O-N 3.15Å; L217-I219 VanDerWaalsContact C-N 3.33Å; L217-I219 PolarHBondContact O-N 3.25Å; I219-W223 VanDerWaalsContact O-CB 3.27Å; I219-W223 WeakPolarHBondContact O-CB 3.26Å; I219-W223 PolarHBondContact O-N 3.02Å
220S82.6Confident82.3Confident4 Ų455.9 Ų55.93%0.02827%0.272CS..Hα-helixtrans-68.4-48.2178.1-58.60000112F194 F216 L217 W222 W223 S224F194-S220 WeakPolarHBondContact CE2-OG 3.35Å; F194-S220 VanDerWaalsContact CZ-OG 3.27Å; F194-S220 WeakPolarHBondContact CZ-OG 3.48Å; F216-S220 WeakPolarHBondContact CE2-OG 3.14Å; F216-S220 WeakPolarHBondContact O-CB 3.32Å; F216-S220 PolarHBondContact O-N 3.02Å; F216-S220 PolarHBondContact O-OG 3.27Å; L217-S220 CarbonylContact O-C 3.48Å; L217-S220 WeakPolarHBondContact O-CA 3.46Å; L217-S220 WeakPolarHBondContact O-CB 3.48Å; L217-S220 PolarHBondContact O-N 3.19Å; S220-W222 PolarHBondContact O-N 3.35Å; S220-W223 WeakPolarHBondContact O-CB 3.17Å; S220-W223 PolarHBondContact O-N 3.08Å; S220-S224 PolarHBondContact O-N 3.19Å
221T85.7Confident81.3Confident41 Ų4161.4 Ų61.425%0.25230%0.296SS..Hα-helixtrans-62.8-42.9175.8-41.80000110L217 W223 S224 T225 E478L217-T221 PolarHBondContact O-N 3.2Å; L217-T221 PolarHBondContact O-OG1 3.49Å; T221-W223 VanDerWaalsContact C-N 3.34Å; T221-W223 PolarHBondContact O-N 3.26Å; T221-S224 PolarHBondContact O-N 3.4Å; T221-S224 VanDerWaalsContact O-N 3.1Å; T221-S224 PolarHBondContact O-OG 3.1Å; T221-T225 WeakPolarHBondContact O-CG2 3.4Å; T221-T225 PolarHBondContact O-N 3.42Å; T221-E478 WeakPolarHBondContact CG2-OE1 3.37Å; T221-E478 PolarHBondContact OG1-OE1 3.18Å
222W85.3Confident80.4Confident106 Ų10661 Ų6140%0.40231%0.306SS..Hα-helixtrans-63.1-36173.6-161.4-65.4000113F218 S220 S224 T225 T227 L229F218-W222 AromaticContact CE1-CE3 3.99Å; F218-W222 HydrophobicContact CE1-CE3 3.99Å; F218-W222 HydrophobicContact CE1-CZ3 4.43Å; F218-W222 AromaticContact CE2-CE3 3.98Å; F218-W222 HydrophobicContact CE2-CE3 3.98Å; F218-W222 HydrophobicContact CE2-CZ3 4.22Å; F218-W222 AromaticContact CZ-CE3 3.47Å; F218-W222 HydrophobicContact CZ-CE3 3.47Å; F218-W222 VanDerWaalsContact CZ-CE3 3.47Å; F218-W222 AromaticContact CZ-CZ3 3.64Å; F218-W222 HydrophobicContact CZ-CZ3 3.64Å; F218-W222 WeakPolarHBondContact O-CB 3.33Å; F218-W222 PolarHBondContact O-N 3.4Å; S220-W222 PolarHBondContact O-N 3.35Å; W222-S224 VanDerWaalsContact C-N 3.35Å; W222-T225 PolarHBondContact O-OG1 2.92Å; W222-T227 VanDerWaalsContact CD1-OG1 3.28Å; W222-T227 PolarHBondContact NE1-OG1 3.38Å; W222-L229 HydrophobicContact CB-CD1 4.47Å; W222-L229 HydrophobicContact CG-CD1 4.01Å
223W83.1Confident79.8Confident114 Ų11464.1 Ų64.143%0.43232%0.324SS..Hα-helixtrans-69-33.8172.8-179.896.2000112I219 S220 T221 R534I219-W223 VanDerWaalsContact O-CB 3.27Å; I219-W223 WeakPolarHBondContact O-CB 3.26Å; I219-W223 PolarHBondContact O-N 3.02Å; S220-W223 WeakPolarHBondContact O-CB 3.17Å; S220-W223 PolarHBondContact O-N 3.08Å; T221-W223 VanDerWaalsContact C-N 3.34Å; T221-W223 PolarHBondContact O-N 3.26Å; W223-R534 VanDerWaalsContact CE2-CZ 3.46Å; W223-R534 VanDerWaalsContact CH2-CD 3.41Å; W223-R534 HydrophobicContact CZ3-CB 4.39Å; W223-R534 VanDerWaalsContact CZ3-CD 3.46Å; W223-R534 PolarHBondContact O-NH1 3.16Å
224S83Confident79.2Confident0 Ų065.6 Ų65.60%033%0.33CS..Hα-helixtrans-71.3-28.9177.382.40000113.5S220 T221 W222 Y226 R534S220-S224 PolarHBondContact O-N 3.19Å; T221-S224 PolarHBondContact O-N 3.4Å; T221-S224 VanDerWaalsContact O-N 3.1Å; T221-S224 PolarHBondContact O-OG 3.1Å; W222-S224 VanDerWaalsContact C-N 3.35Å; S224-Y226 PolarHBondContact O-N 2.97Å; S224-R534 VanDerWaalsContact O-CA 3.27Å; S224-R534 WeakPolarHBondContact O-CA 3.29Å
225T83.3Confident78.7Confident54 Ų5462.4 Ų62.433%0.33131%0.314SS..THydrogen-bonded Turntrans-76.40.1179.655.90000114.5T221 W222 T227T221-T225 WeakPolarHBondContact O-CG2 3.4Å; T221-T225 PolarHBondContact O-N 3.42Å; W222-T225 PolarHBondContact O-OG1 2.92Å; T225-T227 VanDerWaalsContact C-N 3.25Å; T225-T227 PolarHBondContact O-N 2.77Å; T225-T227 PolarHBondContact OG1-OG1 3.28Å
226Y76.8Confident78.5Confident59 Ų5967.6 Ų67.623%0.23134%0.335CS..THydrogen-bonded Turntrans63.522.8177.9-163.6-104.4000114.3S224 R534 R538 F541S224-Y226 PolarHBondContact O-N 2.97Å; Y226-R534 HydrophobicContact CD2-CG 4.48Å; Y226-R538 HydrophobicContact CD2-CB 4.01Å; Y226-R538 HydrophobicContact CD2-CG 4.41Å; Y226-R538 HydrophobicContact CE2-CB 4.01Å; Y226-R538 HydrophobicContact CE2-CG 3.89Å; Y226-R538 HydrophobicContact CG-CB 4.44Å; Y226-F541 HydrophobicContact CD1-CB 4.23Å; Y226-F541 HydrophobicContact CD1-CD1 4.28Å; Y226-F541 HydrophobicContact CD1-CG 4.12Å; Y226-F541 HydrophobicContact CE1-CB 4.23Å; Y226-F541 AromaticContact CE1-CD1 3.52Å; Y226-F541 HydrophobicContact CE1-CD1 3.52Å; Y226-F541 HydrophobicContact CE1-CD2 4.47Å; Y226-F541 AromaticContact CE1-CE1 3.91Å; Y226-F541 HydrophobicContact CE1-CE1 3.91Å; Y226-F541 AromaticContact CE1-CG 3.83Å; Y226-F541 HydrophobicContact CE1-CG 3.83Å
227T72.6Confident78.2Confident66 Ų6669.1 Ų69.141%0.40534%0.342SS..  trans-96.1137175.653.80000111.7W222 T225 L229W222-T227 VanDerWaalsContact CD1-OG1 3.28Å; W222-T227 PolarHBondContact NE1-OG1 3.38Å; T225-T227 VanDerWaalsContact C-N 3.25Å; T225-T227 PolarHBondContact O-N 2.77Å; T225-T227 PolarHBondContact OG1-OG1 3.28Å; T227-L229 PolarHBondContact O-N 3.5Å
228P66.8Low78.2Confident116 Ų11668.6 Ų68.675%0.75334%0.34SS*.  trans-76.5125.9-176.428.8-33.8000112.4R230P228-R230 PolarHBondContact O-N 3.02Å
229L63.3Low78.1Confident63 Ų6369.1 Ų69.133%0.3334%0.342SS..  trans-67.1113.6167.2-96.795.2000109.9W222 T227 H231 Y234W222-L229 HydrophobicContact CB-CD1 4.47Å; W222-L229 HydrophobicContact CG-CD1 4.01Å; T227-L229 PolarHBondContact O-N 3.5Å; L229-H231 PolarHBondContact O-N 2.93Å; L229-Y234 HydrophobicContact CD2-CD2 3.85Å; L229-Y234 HydrophobicContact CD2-CG 4.16Å
230R68.4Low78.3Confident206 Ų20673.5 Ų73.578%0.77736%0.36SS*.  trans-63.1132.5169.6-70.7-178.9172.7-175.9-2.8109.6P228 G232 V233 Y234P228-R230 PolarHBondContact O-N 3.02Å; R230-G232 PolarHBondContact O-N 3.02Å; R230-G232 VanDerWaalsContact O-N 3.08Å; R230-V233 HydrophobicContact CB-CG2 4.23Å; R230-V233 PolarHBondContact O-N 3.43Å; R230-Y234 PolarHBondContact O-N 2.69Å; R230-Y234 VanDerWaalsContact O-N 3.08Å
231H66.7Low78.5Confident133 Ų13373.8 Ų73.862%0.61636%0.361SS*.Hα-helixtrans-52.7-33.5178.8-81.7-82.3000113.5L229 N235L229-H231 PolarHBondContact O-N 2.93Å; H231-N235 VanDerWaalsContact O-CB 3.25Å; H231-N235 WeakPolarHBondContact O-CB 3.28Å; H231-N235 VanDerWaalsContact O-CG 3.27Å; H231-N235 PolarHBondContact O-N 2.89Å; H231-N235 PolarHBondContact O-ND2 3.02Å
232G71.5Confident78.6Confident47 Ų4773.1 Ų73.149%0.48536%0.356SS..Hα-helixtrans-61.3-48.617400000113.4R230 N235 Q236R230-G232 PolarHBondContact O-N 3.02Å; R230-G232 VanDerWaalsContact O-N 3.08Å; G232-N235 PolarHBondContact O-N 2.86Å; G232-Q236 WeakPolarHBondContact O-CG 3.31Å; G232-Q236 PolarHBondContact O-N 3.27Å
233V77.6Confident78.8Confident65 Ų6574.9 Ų74.939%0.39437%0.367SS..Hα-helixtrans-66.1-42.7179-179.10000110.5R230 N235 Q236 I237R230-V233 HydrophobicContact CB-CG2 4.23Å; R230-V233 PolarHBondContact O-N 3.43Å; V233-N235 VanDerWaalsContact C-N 3.33Å; V233-N235 PolarHBondContact O-N 3.18Å; V233-Q236 WeakPolarHBondContact O-CB 3.41Å; V233-Q236 PolarHBondContact O-N 3.43Å; V233-Q236 VanDerWaalsContact O-N 3.11Å; V233-I237 HydrophobicContact CG1-CD1 4.14Å; V233-I237 WeakPolarHBondContact O-CG1 3.31Å; V233-I237 PolarHBondContact O-N 3.47Å
234Y75.9Confident79.1Confident36 Ų3671.1 Ų71.114%0.14135%0.353CS..Hα-helixtrans-65.1-36.9176.4-170.3-135.2000112.4N190 L229 R230 Q236 I237 K238N190-Y234 WeakPolarHBondContact OD1-CE1 3.26Å; L229-Y234 HydrophobicContact CD2-CD2 3.85Å; L229-Y234 HydrophobicContact CD2-CG 4.16Å; R230-Y234 PolarHBondContact O-N 2.69Å; R230-Y234 VanDerWaalsContact O-N 3.08Å; Y234-Q236 VanDerWaalsContact C-N 3.35Å; Y234-I237 PolarHBondContact O-N 3.08Å; Y234-K238 HydrophobicContact CE1-CD 4.39Å; Y234-K238 VanDerWaalsContact CE1-NZ 3.27Å; Y234-K238 VanDerWaalsContact CZ-CE 3.46Å; Y234-K238 WeakPolarHBondContact O-CB 3.26Å; Y234-K238 WeakPolarHBondContact O-CG 3.36Å; Y234-K238 PolarHBondContact O-N 3.36Å
235N78.2Confident79.4Confident29 Ų2971.1 Ų71.116%0.15535%0.353CS..Hα-helixtrans-70.6-26.7172.6-77.2-19.1000112.8H231 G232 V233 K239 T330H231-N235 VanDerWaalsContact O-CB 3.25Å; H231-N235 WeakPolarHBondContact O-CB 3.28Å; H231-N235 VanDerWaalsContact O-CG 3.27Å; H231-N235 PolarHBondContact O-N 2.89Å; H231-N235 PolarHBondContact O-ND2 3.02Å; G232-N235 PolarHBondContact O-N 2.86Å; V233-N235 VanDerWaalsContact C-N 3.33Å; V233-N235 PolarHBondContact O-N 3.18Å; N235-K239 PolarHBondContact O-N 3.3Å; N235-T330 PolarHBondContact OD1-OG1 3.1Å
236Q82.1Confident79.5Confident129 Ų12969.6 Ų69.660%0.60335%0.346SS*.Hα-helixtrans-70-46.2169.5-76.6172.1-2800111.5G232 V233 Y234 K238 K239 F240G232-Q236 WeakPolarHBondContact O-CG 3.31Å; G232-Q236 PolarHBondContact O-N 3.27Å; V233-Q236 WeakPolarHBondContact O-CB 3.41Å; V233-Q236 PolarHBondContact O-N 3.43Å; V233-Q236 VanDerWaalsContact O-N 3.11Å; Y234-Q236 VanDerWaalsContact C-N 3.35Å; Q236-K238 VanDerWaalsContact C-N 3.32Å; Q236-K238 PolarHBondContact O-N 2.85Å; Q236-K239 WeakPolarHBondContact O-CB 3.48Å; Q236-K239 PolarHBondContact O-N 2.89Å; Q236-K239 VanDerWaalsContact O-N 3.11Å; Q236-F240 PolarHBondContact O-N 3.46Å
237I82.9Confident80.1Confident37 Ų3770.8 Ų70.819%0.1936%0.356CS..Hα-helixtrans-58.7-44.3173.5-65.8165.9000110.1V233 Y234 K239 F240 L241V233-I237 HydrophobicContact CG1-CD1 4.14Å; V233-I237 WeakPolarHBondContact O-CG1 3.31Å; V233-I237 PolarHBondContact O-N 3.47Å; Y234-I237 PolarHBondContact O-N 3.08Å; I237-K239 PolarHBondContact O-N 3.48Å; I237-F240 PolarHBondContact O-N 2.91Å; I237-L241 HydrophobicContact CG2-CD1 3.75Å; I237-L241 HydrophobicContact CG2-CG 4.42Å; I237-L241 WeakPolarHBondContact O-CB 3.46Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 2.66Å
238K84.9Confident80.9Confident1 Ų168 Ų680%0.00434%0.338CS..Hα-helixtrans-58.9-44.2172.2-76177.1177.9174.50112.5N190 L193 Y234 Q236 F240 L241 I242N190-K238 PolarHBondContact OD1-NZ 3Å; N190-K238 VanDerWaalsContact OD1-NZ 3.16Å; L193-K238 HydrophobicContact CD2-CD 4.47Å; L193-K238 HydrophobicContact CD2-CG 4.45Å; Y234-K238 HydrophobicContact CE1-CD 4.39Å; Y234-K238 VanDerWaalsContact CE1-NZ 3.27Å; Y234-K238 VanDerWaalsContact CZ-CE 3.46Å; Y234-K238 WeakPolarHBondContact O-CB 3.26Å; Y234-K238 WeakPolarHBondContact O-CG 3.36Å; Y234-K238 PolarHBondContact O-N 3.36Å; Q236-K238 VanDerWaalsContact C-N 3.32Å; Q236-K238 PolarHBondContact O-N 2.85Å; K238-F240 PolarHBondContact O-N 3.34Å; K238-L241 PolarHBondContact O-N 3.29Å; K238-I242 WeakPolarHBondContact O-CB 3.15Å; K238-I242 WeakPolarHBondContact O-CD1 3.47Å; K238-I242 WeakPolarHBondContact O-CG1 3.18Å; K238-I242 PolarHBondContact O-N 3.07Å
239K85.1Confident81.9Confident123 Ų12363.5 Ų63.554%0.53531%0.307SS..Hα-helixtrans-59.2-45.4175.2-87.5-174.2172.6-171.50112.2N235 Q236 I237 I242 F243 Y327N235-K239 PolarHBondContact O-N 3.3Å; Q236-K239 WeakPolarHBondContact O-CB 3.48Å; Q236-K239 PolarHBondContact O-N 2.89Å; Q236-K239 VanDerWaalsContact O-N 3.11Å; I237-K239 PolarHBondContact O-N 3.48Å; K239-I242 PolarHBondContact O-N 3.12Å; K239-F243 PolarHBondContact O-N 3.44Å; K239-Y327 VanDerWaalsContact CE-OH 3.23Å; K239-Y327 WeakPolarHBondContact CE-OH 3.31Å; K239-Y327 HydrophobicContact CG-CE2 4.1Å
240F89.1Confident83Confident114 Ų11462.9 Ų62.950%0.530%0.303SS..Hα-helixtrans-60.6-47.7176.7174.4-100.6000111.1I211 Q236 I237 K238 I242 F243 Y244I211-F240 HydrophobicContact CG2-CE1 3.98Å; I211-F240 HydrophobicContact CG2-CZ 4.38Å; Q236-F240 PolarHBondContact O-N 3.46Å; I237-F240 PolarHBondContact O-N 2.91Å; K238-F240 PolarHBondContact O-N 3.34Å; F240-I242 PolarHBondContact O-N 3.15Å; F240-F243 PolarHBondContact O-N 2.97Å; F240-Y244 VanDerWaalsContact O-CB 3.3Å; F240-Y244 WeakPolarHBondContact O-CB 3.43Å; F240-Y244 PolarHBondContact O-N 2.89Å
241L87.4Confident83.9Confident10 Ų1056.1 Ų56.15%0.05229%0.285CS..Hα-helixtrans-64.8-34.4177.8-70.4166.2000113.3T197 Y212 I237 K238 S245 F319T197-L241 HydrophobicContact CG2-CD1 4.38Å; Y212-L241 HydrophobicContact CD1-CD2 3.89Å; Y212-L241 HydrophobicContact CE1-CD2 4.17Å; I237-L241 HydrophobicContact CG2-CD1 3.75Å; I237-L241 HydrophobicContact CG2-CG 4.42Å; I237-L241 WeakPolarHBondContact O-CB 3.46Å; I237-L241 WeakPolarHBondContact O-CG 3.28Å; I237-L241 PolarHBondContact O-N 2.66Å; K238-L241 PolarHBondContact O-N 3.29Å; L241-S245 VanDerWaalsContact O-CB 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.33Å; L241-S245 PolarHBondContact O-N 3.33Å; L241-S245 PolarHBondContact O-OG 2.64Å; L241-F319 HydrophobicContact CB-CE1 4.11Å; L241-F319 HydrophobicContact CB-CZ 4.16Å; L241-F319 HydrophobicContact CD1-CZ 4.22Å; L241-F319 HydrophobicContact CD2-CE1 4.33Å; L241-F319 HydrophobicContact CD2-CZ 4.3Å; L241-F319 HydrophobicContact CG-CZ 4.47Å
242I87.2Confident84.8Confident28 Ų2850.3 Ų50.314%0.14426%0.258CS..Hα-helixtrans-66.5-45.4173.6-71.7162.8000110.7K238 K239 F240 S245 A246 F320 T323 V324 Y327K238-I242 WeakPolarHBondContact O-CB 3.15Å; K238-I242 WeakPolarHBondContact O-CD1 3.47Å; K238-I242 WeakPolarHBondContact O-CG1 3.18Å; K238-I242 PolarHBondContact O-N 3.07Å; K239-I242 PolarHBondContact O-N 3.12Å; F240-I242 PolarHBondContact O-N 3.15Å; I242-S245 PolarHBondContact O-OG 2.9Å; I242-A246 WeakPolarHBondContact O-CB 3.44Å; I242-A246 PolarHBondContact O-N 3.13Å; I242-A246 VanDerWaalsContact O-N 3.12Å; I242-F320 HydrophobicContact CG2-CD2 4.3Å; I242-F320 HydrophobicContact CG2-CE2 3.96Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.23Å; I242-V324 HydrophobicContact CD1-CG2 4.13Å; I242-V324 HydrophobicContact CG1-CG2 4.04Å; I242-V324 HydrophobicContact CG2-CG2 3.8Å; I242-Y327 HydrophobicContact CD1-CD1 4.25Å; I242-Y327 HydrophobicContact CD1-CG 4.01Å
243F88.5Confident85.5Confident143 Ų14349 Ų4963%0.62724%0.239SC*.Hα-helixtrans-64.9-45.5176.5178-100.5000111.5K239 F240 A246 L247K239-F243 PolarHBondContact O-N 3.44Å; F240-F243 PolarHBondContact O-N 2.97Å; F243-A246 PolarHBondContact O-N 2.9Å; F243-L247 WeakPolarHBondContact O-CB 3.49Å; F243-L247 PolarHBondContact O-N 2.82Å
244Y90.8Very high85.8Confident34 Ų3447.6 Ų47.613%0.13323%0.23CC..Hα-helixtrans-67.2-41.4-179.5-174.7-108.9000112.8S208 I211 Y212 F240 L247 H248S208-Y244 WeakPolarHBondContact CA-OH 3.44Å; S208-Y244 PolarHBondContact O-OH 3.44Å; I211-Y244 HydrophobicContact CB-CE1 3.97Å; I211-Y244 HydrophobicContact CD1-CE1 4.26Å; I211-Y244 HydrophobicContact CD1-CE2 3.87Å; I211-Y244 HydrophobicContact CG2-CD1 4.08Å; I211-Y244 HydrophobicContact CG2-CE1 4.03Å; Y212-Y244 AromaticContact CE1-CD1 3.71Å; Y212-Y244 HydrophobicContact CE1-CD1 3.71Å; Y212-Y244 HydrophobicContact CE1-CE1 4.05Å; Y212-Y244 HydrophobicContact CE2-CD1 4.42Å; Y212-Y244 AromaticContact CE2-CE1 3.94Å; Y212-Y244 HydrophobicContact CE2-CE1 3.94Å; Y212-Y244 AromaticContact CZ-CD1 3.61Å; Y212-Y244 AromaticContact CZ-CE1 3.57Å; Y212-Y244 WeakPolarHBondContact OH-CD1 3.28Å; Y212-Y244 WeakPolarHBondContact OH-CE1 3.43Å; F240-Y244 VanDerWaalsContact O-CB 3.3Å; F240-Y244 WeakPolarHBondContact O-CB 3.43Å; F240-Y244 PolarHBondContact O-N 2.89Å; Y244-L247 PolarHBondContact O-N 3.22Å; Y244-H248 WeakPolarHBondContact O-CB 3.37Å; Y244-H248 PolarHBondContact O-N 3.44Å
245S88.3Confident86.3Confident0 Ų046.1 Ų46.10%023%0.225CC..Hα-helixtrans-66.4-36.9174.952.40000112.9L241 I242 F249L241-S245 VanDerWaalsContact O-CB 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.33Å; L241-S245 PolarHBondContact O-N 3.33Å; L241-S245 PolarHBondContact O-OG 2.64Å; I242-S245 PolarHBondContact O-OG 2.9Å; S245-F249 WeakPolarHBondContact O-CB 3.37Å; S245-F249 PolarHBondContact O-N 3.48Å
246A86.5Confident86.6Confident22 Ų2245.6 Ų45.618%0.18222%0.221CC..Hα-helixtrans-62.7-47.5171.500000111.6I242 F243 L250 F320I242-A246 WeakPolarHBondContact O-CB 3.44Å; I242-A246 PolarHBondContact O-N 3.13Å; I242-A246 VanDerWaalsContact O-N 3.12Å; F243-A246 PolarHBondContact O-N 2.9Å; A246-L250 WeakPolarHBondContact O-CB 3.1Å; A246-L250 PolarHBondContact O-N 3.36Å; A246-F320 HydrophobicContact CB-CD2 4.17Å; A246-F320 HydrophobicContact CB-CE2 3.93Å
247L88.5Confident86.6Confident85 Ų8539.4 Ų39.445%0.44519%0.193SC..Hα-helixtrans-60.4-47.5176.4-173.677.5000111.7F243 Y244 L250 V251F243-L247 WeakPolarHBondContact O-CB 3.49Å; F243-L247 PolarHBondContact O-N 2.82Å; Y244-L247 PolarHBondContact O-N 3.22Å; L247-L250 WeakPolarHBondContact O-CB 3.2Å; L247-L250 PolarHBondContact O-N 3.45Å; L247-L250 VanDerWaalsContact O-N 3.15Å; L247-V251 WeakPolarHBondContact O-CG2 3.34Å; L247-V251 PolarHBondContact O-N 2.96Å
248H89.4Confident86.2Confident7 Ų738.1 Ų38.13%0.03219%0.186CC..Hα-helixtrans-63.1-43.5-178.3-175.6-162.7000111.5N209 Y212 Y244 L250 V251 L252 V316N209-H248 PolarHBondContact OD1-CE1 2.92Å; Y212-H248 AromaticContact CE2-ND1 3.66Å; Y212-H248 AromaticContact CZ-ND1 3.88Å; Y212-H248 PolarHBondContact OH-ND1 3.4Å; Y212-H248 VanDerWaalsContact OH-ND1 3.15Å; Y244-H248 WeakPolarHBondContact O-CB 3.37Å; Y244-H248 PolarHBondContact O-N 3.44Å; H248-L250 VanDerWaalsContact C-N 3.34Å; H248-L250 PolarHBondContact O-N 3.26Å; H248-V251 PolarHBondContact O-N 2.9Å; H248-L252 WeakPolarHBondContact O-CB 3.45Å; H248-L252 WeakPolarHBondContact O-CG 3.28Å; H248-L252 PolarHBondContact O-N 3.22Å; H248-V316 HydrophobicContact CB-CG1 4.48Å
249F87.9Confident85.8Confident22 Ų2239.9 Ų39.910%0.09620%0.195CC..Hα-helixtrans-62.4-40.1172.7-173.3-95.6000112.1L21 V36 S245 L252 Y253 V316 L317L21-F249 HydrophobicContact CD2-CE1 4.12Å; L21-F249 HydrophobicContact CD2-CZ 4.13Å; V36-F249 HydrophobicContact CG1-CD1 4.15Å; V36-F249 HydrophobicContact CG1-CE1 3.89Å; S245-F249 WeakPolarHBondContact O-CB 3.37Å; S245-F249 PolarHBondContact O-N 3.48Å; F249-L252 PolarHBondContact O-N 3.08Å; F249-Y253 VanDerWaalsContact O-CB 3.29Å; F249-Y253 WeakPolarHBondContact O-CB 3.4Å; F249-Y253 PolarHBondContact O-N 2.94Å; F249-V316 HydrophobicContact CB-CG1 4.29Å; F249-L317 HydrophobicContact CD2-CB 4.25Å; F249-L317 HydrophobicContact CD2-CD1 4.15Å; F249-L317 HydrophobicContact CE1-CD1 4.25Å; F249-L317 HydrophobicContact CE2-CB 4.13Å; F249-L317 HydrophobicContact CE2-CD1 3.85Å; F249-L317 HydrophobicContact CE2-CG 4.48Å; F249-L317 HydrophobicContact CG-CD1 4.49Å; F249-L317 HydrophobicContact CZ-CD1 3.91Å
250L86.7Confident85.5Confident49 Ų4934.3 Ų34.326%0.25717%0.172SC..Hα-helixtrans-64.4-41.7177.4-140163000111.4L37 A246 L247 H248 Y253 T254L37-L250 HydrophobicContact CD2-CD1 4.2Å; A246-L250 WeakPolarHBondContact O-CB 3.1Å; A246-L250 PolarHBondContact O-N 3.36Å; L247-L250 WeakPolarHBondContact O-CB 3.2Å; L247-L250 PolarHBondContact O-N 3.45Å; L247-L250 VanDerWaalsContact O-N 3.15Å; H248-L250 VanDerWaalsContact C-N 3.34Å; H248-L250 PolarHBondContact O-N 3.26Å; L250-Y253 PolarHBondContact O-N 2.89Å; L250-T254 WeakPolarHBondContact O-CB 3.33Å; L250-T254 PolarHBondContact O-N 2.85Å; L250-T254 PolarHBondContact O-OG1 3.39Å
251V86.6Confident84.9Confident65 Ų6529.2 Ų29.239%0.39415%0.149SC..Hα-helixtrans-65-47.5174.81730000111.2L247 H248 Y253 T254 Y255 L277L247-V251 WeakPolarHBondContact O-CG2 3.34Å; L247-V251 PolarHBondContact O-N 2.96Å; H248-V251 PolarHBondContact O-N 2.9Å; V251-Y253 VanDerWaalsContact C-N 3.27Å; V251-Y253 PolarHBondContact O-N 2.99Å; V251-T254 PolarHBondContact O-N 3.37Å; V251-Y255 PolarHBondContact O-N 3.4Å; V251-L277 HydrophobicContact CG1-CD2 3.76Å
252L85Confident84.3Confident11 Ų1133.6 Ų33.66%0.05817%0.17CC..Hα-helixtrans-57.8-39.8176.1-75.3169.6000112.2H248 F249 Q256 L277 P313H248-L252 WeakPolarHBondContact O-CB 3.45Å; H248-L252 WeakPolarHBondContact O-CG 3.28Å; H248-L252 PolarHBondContact O-N 3.22Å; F249-L252 PolarHBondContact O-N 3.08Å; L252-Q256 WeakPolarHBondContact O-CG 3.35Å; L252-Q256 PolarHBondContact O-NE2 3.42Å; L252-L277 HydrophobicContact CD2-CD2 4.24Å; L252-P313 HydrophobicContact CD1-CB 4.4Å
253Y86.1Confident83.7Confident18 Ų1836 Ų367%0.07119%0.189CC..Hα-helixtrans-69.8-45.2176.5-171.8-93.2000112.3A24 S32 I33 V36 F249 L250 V251 Y255 Q256A24-Y253 VanDerWaalsContact C-OH 3.3Å; A24-Y253 WeakPolarHBondContact CA-OH 3.4Å; A24-Y253 HydrophobicContact CB-CE2 4.08Å; A24-Y253 WeakPolarHBondContact CB-OH 3.49Å; A24-Y253 PolarHBondContact O-OH 3.24Å; S32-Y253 VanDerWaalsContact CB-OH 3.26Å; S32-Y253 WeakPolarHBondContact CB-OH 3.45Å; S32-Y253 PolarHBondContact OG-OH 3.39Å; I33-Y253 HydrophobicContact CG1-CD1 4.44Å; I33-Y253 HydrophobicContact CG1-CE1 4.2Å; V36-Y253 HydrophobicContact CG2-CD1 4.13Å; V36-Y253 HydrophobicContact CG2-CD2 4.11Å; V36-Y253 HydrophobicContact CG2-CE1 3.89Å; V36-Y253 HydrophobicContact CG2-CE2 3.87Å; V36-Y253 HydrophobicContact CG2-CG 4.24Å; F249-Y253 VanDerWaalsContact O-CB 3.29Å; F249-Y253 WeakPolarHBondContact O-CB 3.4Å; F249-Y253 PolarHBondContact O-N 2.94Å; L250-Y253 PolarHBondContact O-N 2.89Å; V251-Y253 VanDerWaalsContact C-N 3.27Å; V251-Y253 PolarHBondContact O-N 2.99Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 2.75Å; Y253-Q256 WeakPolarHBondContact O-CB 3.48Å; Y253-Q256 PolarHBondContact O-N 3.26Å
254T85.3Confident83.3Confident36 Ų3637 Ų3722%0.22119%0.189CC..Hα-helixtrans-63.6-33.9-179.2-52.50000111.3L250 V251 Q256 I257 V260L250-T254 WeakPolarHBondContact O-CB 3.33Å; L250-T254 PolarHBondContact O-N 2.85Å; L250-T254 PolarHBondContact O-OG1 3.39Å; V251-T254 PolarHBondContact O-N 3.37Å; T254-Q256 PolarHBondContact O-N 2.86Å; T254-I257 HydrophobicContact CG2-CD1 4.31Å; T254-I257 WeakPolarHBondContact O-CB 3.39Å; T254-I257 WeakPolarHBondContact O-CG1 3.33Å; T254-I257 PolarHBondContact O-N 3.45Å; T254-I257 VanDerWaalsContact O-N 3.14Å; T254-V260 HydrophobicContact CG2-CG2 4.23Å; T254-V260 WeakPolarHBondContact O-CB 3.25Å; T254-V260 WeakPolarHBondContact O-CG2 3.35Å
255Y86.2Confident82.5Confident6 Ų637.9 Ų37.92%0.02420%0.195CC..Hα-helixtrans-64-24174.4-166.5-112.5000113.8V251 Y253 I257 V260 H261 L265 P272 L277 V279V251-Y255 PolarHBondContact O-N 3.4Å; Y253-Y255 VanDerWaalsContact C-N 3.26Å; Y253-Y255 PolarHBondContact O-N 2.75Å; Y255-I257 PolarHBondContact O-N 3.19Å; Y255-V260 HydrophobicContact CD2-CG1 4.19Å; Y255-H261 HydrophobicContact CE1-CB 4.47Å; Y255-H261 HydrophobicContact CE2-CB 4.03Å; Y255-H261 PolarHBondContact O-ND1 2.95Å; Y255-L265 HydrophobicContact CE2-CB 3.93Å; Y255-L265 WeakPolarHBondContact CE2-O 3.37Å; Y255-L265 PolarHBondContact OH-O 2.79Å; Y255-P272 HydrophobicContact CE2-CG 4.35Å; Y255-L277 HydrophobicContact CD1-CB 3.8Å; Y255-L277 HydrophobicContact CD2-CB 4.24Å; Y255-L277 HydrophobicContact CD2-CD1 4.23Å; Y255-L277 HydrophobicContact CE1-CB 3.88Å; Y255-L277 HydrophobicContact CE2-CB 4.35Å; Y255-L277 HydrophobicContact CG-CB 4Å; Y255-V279 HydrophobicContact CD1-CG2 4.41Å; Y255-V279 HydrophobicContact CE1-CG2 3.66Å
256Q84Confident81.8Confident17 Ų1741.2 Ų41.28%0.07922%0.217CC..THydrogen-bonded Turntrans-76.1-9.6175.8-48.3-49.5-4700113.4P28 L252 Y253 T254 T278P28-Q256 HydrophobicContact CB-CB 4.38Å; L252-Q256 WeakPolarHBondContact O-CG 3.35Å; L252-Q256 PolarHBondContact O-NE2 3.42Å; Y253-Q256 WeakPolarHBondContact O-CB 3.48Å; Y253-Q256 PolarHBondContact O-N 3.26Å; T254-Q256 PolarHBondContact O-N 2.86Å; Q256-T278 PolarHBondContact NE2-O 2.99Å
257I82Confident80.8Confident0 Ų044.5 Ų44.50%024%0.235CC..SBendtrans-73.8128.2178-58.5176.7000108.5F30 I33 T254 Y255 I259 V260 H261F30-I257 HydrophobicContact CD1-CD1 4.36Å; F30-I257 HydrophobicContact CE1-CD1 4.38Å; F30-I257 HydrophobicContact CE2-CG2 4.37Å; I33-I257 HydrophobicContact CD1-CD1 3.91Å; I33-I257 HydrophobicContact CG1-CD1 4.35Å; T254-I257 HydrophobicContact CG2-CD1 4.31Å; T254-I257 WeakPolarHBondContact O-CB 3.39Å; T254-I257 WeakPolarHBondContact O-CG1 3.33Å; T254-I257 PolarHBondContact O-N 3.45Å; T254-I257 VanDerWaalsContact O-N 3.14Å; Y255-I257 PolarHBondContact O-N 3.19Å; I257-I259 VanDerWaalsContact C-N 3.26Å; I257-I259 HydrophobicContact CG2-CG2 4.04Å; I257-I259 PolarHBondContact O-N 3.32Å; I257-I259 VanDerWaalsContact O-N 3.08Å; I257-V260 HydrophobicContact CB-CG2 4.04Å; I257-V260 HydrophobicContact CG2-CG2 4.49Å; I257-V260 WeakPolarHBondContact O-CB 3.5Å; I257-V260 PolarHBondContact O-N 3.41Å; I257-H261 PolarHBondContact O-ND1 3.2Å
258P74Confident79.8Confident9 Ų943.2 Ų43.26%0.05824%0.242CC..Hα-helixtrans-50.1-39.7-174.5-33.637.3000115.6V260 H262 W289P258-V260 VanDerWaalsContact C-N 3.26Å; P258-V260 PolarHBondContact O-N 3.02Å; P258-H262 WeakPolarHBondContact O-CB 3.09Å; P258-H262 PolarHBondContact O-CD2 3.35Å; P258-H262 PolarHBondContact O-N 3.23Å; P258-H262 VanDerWaalsContact O-N 3.1Å; P258-W289 HydrophobicContact CG-CH2 3.74Å; P258-W289 HydrophobicContact CG-CZ3 3.91Å
259I77.3Confident79Confident38 Ų3844.7 Ų44.720%0.19525%0.253CS..Hα-helixtrans-66.2-30.7-179.6-150.9163.5000111.9F30 I257 S263 W264F30-I259 HydrophobicContact CE2-CG2 3.94Å; F30-I259 HydrophobicContact CZ-CG2 4.01Å; I257-I259 VanDerWaalsContact C-N 3.26Å; I257-I259 HydrophobicContact CG2-CG2 4.04Å; I257-I259 PolarHBondContact O-N 3.32Å; I257-I259 VanDerWaalsContact O-N 3.08Å; I259-S263 PolarHBondContact O-N 3.07Å; I259-S263 PolarHBondContact O-OG 3.29Å; I259-W264 PolarHBondContact O-N 2.89Å
260V78.2Confident78.5Confident7 Ų748.6 Ų48.64%0.04227%0.27CS..Iπ-helixtrans-75.7-45.7-174.3-178.70000111T254 Y255 I257 P258 W264 L265T254-V260 HydrophobicContact CG2-CG2 4.23Å; T254-V260 WeakPolarHBondContact O-CB 3.25Å; T254-V260 WeakPolarHBondContact O-CG2 3.35Å; Y255-V260 HydrophobicContact CD2-CG1 4.19Å; I257-V260 HydrophobicContact CB-CG2 4.04Å; I257-V260 HydrophobicContact CG2-CG2 4.49Å; I257-V260 WeakPolarHBondContact O-CB 3.5Å; I257-V260 PolarHBondContact O-N 3.41Å; P258-V260 VanDerWaalsContact C-N 3.26Å; P258-V260 PolarHBondContact O-N 3.02Å; V260-W264 HydrophobicContact CG2-CE3 4.03Å; V260-W264 HydrophobicContact CG2-CZ3 4.33Å; V260-W264 WeakPolarHBondContact O-CB 3.37Å; V260-W264 PolarHBondContact O-N 3.47Å; V260-L265 PolarHBondContact O-N 3.45Å
261H78.1Confident78.2Confident6 Ų650.4 Ų50.43%0.02828%0.28CS..Iπ-helixtrans-86-20.5179.462-107.7000114.6Y255 I257 P266 V279Y255-H261 HydrophobicContact CE1-CB 4.47Å; Y255-H261 HydrophobicContact CE2-CB 4.03Å; Y255-H261 PolarHBondContact O-ND1 2.95Å; I257-H261 PolarHBondContact O-ND1 3.2Å; H261-P266 WeakPolarHBondContact O-CA 3.2Å; H261-V279 HydrophobicContact CB-CG2 4.03Å
262H73.7Confident77.7Confident103 Ų10347.4 Ų47.448%0.47726%0.262SS..Iπ-helixtrans-88.1-35.9173.4-78-68.7000114.3P258 D282 S283P258-H262 WeakPolarHBondContact O-CB 3.09Å; P258-H262 PolarHBondContact O-CD2 3.35Å; P258-H262 PolarHBondContact O-N 3.23Å; P258-H262 VanDerWaalsContact O-N 3.1Å; H262-D282 IonicContact NE2-OD1 3.79Å; H262-S283 PolarHBondContact NE2-OG 3.32Å
263S75.1Confident77.1Confident78 Ų7850.3 Ų50.355%0.54527%0.272SS..Iπ-helixtrans-120.7-20.3-173.674.30000116.3I259I259-S263 PolarHBondContact O-N 3.07Å; I259-S263 PolarHBondContact O-OG 3.29Å
264W79.7Confident76.9Confident164 Ų16451.2 Ų51.262%0.62128%0.278SS*.Iπ-helixtrans-100.9-42.4179.6-62.22.7000113.3I259 V260I259-W264 PolarHBondContact O-N 2.89Å; V260-W264 HydrophobicContact CG2-CE3 4.03Å; V260-W264 HydrophobicContact CG2-CZ3 4.33Å; V260-W264 WeakPolarHBondContact O-CB 3.37Å; V260-W264 PolarHBondContact O-N 3.47Å
265L74.5Confident76.8Confident52 Ų5253.5 Ų53.527%0.27229%0.285SS..SBendtrans-141.777.1-172.1-81.9156000111.2Y255 V260 L271 P272Y255-L265 HydrophobicContact CE2-CB 3.93Å; Y255-L265 WeakPolarHBondContact CE2-O 3.37Å; Y255-L265 PolarHBondContact OH-O 2.79Å; V260-L265 PolarHBondContact O-N 3.45Å; L265-L271 HydrophobicContact CD2-CB 3.94Å; L265-L271 HydrophobicContact CD2-CD1 4.17Å; L265-P272 HydrophobicContact CB-CG 4.43Å; L265-P272 HydrophobicContact CD2-CG 4.47Å
266P73.3Confident76.2Confident70 Ų7053.4 Ų53.446%0.45529%0.286SS..  trans-63143.9-175.524.9-33.9000113.3H261 G268 S269H261-P266 WeakPolarHBondContact O-CA 3.2Å; P266-G268 VanDerWaalsContact C-N 3.3Å; P266-G268 PolarHBondContact O-N 3.46Å; P266-G268 VanDerWaalsContact O-N 3.15Å; P266-S269 WeakPolarHBondContact O-CB 3.44Å; P266-S269 PolarHBondContact O-N 3.27Å; P266-S269 PolarHBondContact O-OG 3.44Å
267T65.8Low75.9Confident92 Ų9253.5 Ų53.556%0.56429%0.287SS*.THydrogen-bonded Turntrans-56.8-31.2-169.250.60000115.6V279T267-V279 HydrophobicContact CG2-CG2 3.67Å
268G66Low75.6Confident58 Ų5855.3 Ų55.360%0.59830%0.298SS*.THydrogen-bonded Turntrans-79.5-12.1177.500000115.2P266 R273P266-G268 VanDerWaalsContact C-N 3.3Å; P266-G268 PolarHBondContact O-N 3.46Å; P266-G268 VanDerWaalsContact O-N 3.15Å; G268-R273 PolarHBondContact O-NE 2.93Å; G268-R273 PolarHBondContact O-NH2 3.03Å
269S72.7Confident75.6Confident38 Ų3856.6 Ų56.627%0.26631%0.305SS..SBendtrans-72.2155.3-174.964.70000113P266 L271 P272P266-S269 WeakPolarHBondContact O-CB 3.44Å; P266-S269 PolarHBondContact O-N 3.27Å; P266-S269 PolarHBondContact O-OG 3.44Å; S269-L271 VanDerWaalsContact C-N 3.33Å; S269-L271 PolarHBondContact O-N 2.92Å; S269-P272 WeakPolarHBondContact O-CD 3.15Å; S269-P272 WeakPolarHBondContact OG-CD 3.47Å; S269-P272 WeakPolarHBondContact OG-CG 3.39Å
270F78.3Confident75.3Confident103 Ų10357 Ų5745%0.45231%0.308SS..Hα-helixtrans-62-36.4-177.5172.3-107.1000113.2R273 L274F270-R273 PolarHBondContact O-N 2.99Å; F270-L274 HydrophobicContact CE1-CB 4.49Å; F270-L274 HydrophobicContact CE1-CD2 3.78Å; F270-L274 HydrophobicContact CZ-CB 4.38Å; F270-L274 HydrophobicContact CZ-CD1 4.26Å; F270-L274 HydrophobicContact CZ-CD2 3.95Å; F270-L274 HydrophobicContact CZ-CG 4.43Å; F270-L274 WeakPolarHBondContact O-CB 3.44Å; F270-L274 PolarHBondContact O-N 3.1Å
271L80.4Confident74.8Confident88 Ų8857.3 Ų57.346%0.46131%0.309SS..Hα-helixtrans-60.5-53.3-177.1-84164.4000113.4L265 S269 R273 L274 F275L265-L271 HydrophobicContact CD2-CB 3.94Å; L265-L271 HydrophobicContact CD2-CD1 4.17Å; S269-L271 VanDerWaalsContact C-N 3.33Å; S269-L271 PolarHBondContact O-N 2.92Å; L271-R273 PolarHBondContact O-N 3.26Å; L271-L274 PolarHBondContact O-N 3.05Å; L271-F275 HydrophobicContact CD2-CD2 4.07Å; L271-F275 HydrophobicContact CD2-CE2 3.71Å; L271-F275 WeakPolarHBondContact O-CB 3.46Å; L271-F275 WeakPolarHBondContact O-CD2 3.36Å; L271-F275 PolarHBondContact O-N 3.37Å
272P75.4Confident74.2Confident2 Ų259.5 Ų59.51%0.01332%0.321CS..Hα-helixtrans-54.5-44.6172.8-27.632.7000114.1Y255 L265 S269 G276 L277Y255-P272 HydrophobicContact CE2-CG 4.35Å; L265-P272 HydrophobicContact CB-CG 4.43Å; L265-P272 HydrophobicContact CD2-CG 4.47Å; S269-P272 WeakPolarHBondContact O-CD 3.15Å; S269-P272 WeakPolarHBondContact OG-CD 3.47Å; S269-P272 WeakPolarHBondContact OG-CG 3.39Å; P272-G276 CarbonylContact O-C 3.6Å; P272-G276 PolarHBondContact O-N 2.97Å; P272-L277 HydrophobicContact CB-CB 4.24Å; P272-L277 PolarHBondContact O-N 3.44Å
273R74Confident73.6Confident71 Ų7154.7 Ų54.727%0.26830%0.299SS..Hα-helixtrans-63.1-50179.7-71.4-171.5-80.1123.1-2.9111.5G268 F270 L271 F275 G276 E494G268-R273 PolarHBondContact O-NE 2.93Å; G268-R273 PolarHBondContact O-NH2 3.03Å; F270-R273 PolarHBondContact O-N 2.99Å; L271-R273 PolarHBondContact O-N 3.26Å; R273-F275 PolarHBondContact O-N 3.46Å; R273-G276 PolarHBondContact O-N 3.27Å; R273-G276 VanDerWaalsContact O-N 3.14Å; R273-E494 IonicContact CZ-OE1 3.21Å; R273-E494 VanDerWaalsContact NH1-CD 3.28Å; R273-E494 IonicContact NH1-OE1 3.24Å; R273-E494 PolarHBondContact NH1-OE1 3.38Å; R273-E494 IonicContact NH1-OE2 2.78Å; R273-E494 PolarHBondContact NH1-OE2 2.92Å; R273-E494 IonicContact NH2-OE1 2.75Å; R273-E494 PolarHBondContact NH2-OE1 3.31Å
274L81.9Confident72.8Confident37 Ų3753 Ų5319%0.19429%0.287CS..Hα-helixtrans-58.6-46.3177-177.669000113.1L207 F270 L271 G276L207-L274 HydrophobicContact CB-CD1 4.35Å; L207-L274 HydrophobicContact CB-CG 4.17Å; L207-L274 VanDerWaalsContact CB-O 3.24Å; L207-L274 WeakPolarHBondContact CB-O 3.45Å; L207-L274 HydrophobicContact CD2-CD1 4.41Å; L207-L274 HydrophobicContact CD2-CD2 3.93Å; L207-L274 HydrophobicContact CD2-CG 3.94Å; L207-L274 PolarHBondContact N-O 3.24Å; F270-L274 HydrophobicContact CE1-CB 4.49Å; F270-L274 HydrophobicContact CE1-CD2 3.78Å; F270-L274 HydrophobicContact CZ-CB 4.38Å; F270-L274 HydrophobicContact CZ-CD1 4.26Å; F270-L274 HydrophobicContact CZ-CD2 3.95Å; F270-L274 HydrophobicContact CZ-CG 4.43Å; F270-L274 WeakPolarHBondContact O-CB 3.44Å; F270-L274 PolarHBondContact O-N 3.1Å; L271-L274 PolarHBondContact O-N 3.05Å; L274-G276 VanDerWaalsContact C-N 3.27Å; L274-G276 PolarHBondContact O-N 3.15Å
275F81.7Confident71.8Confident85 Ų8548.2 Ų48.237%0.37328%0.278SS..Hα-helixtrans-79.9-4.1179.4-78.5-71000113.9L207 S208 L271 R273 L277L207-F275 HydrophobicContact CD2-CD1 4.32Å; L207-F275 HydrophobicContact CD2-CE1 3.86Å; L207-F275 HydrophobicContact CD2-CZ 4.13Å; L207-F275 HydrophobicContact CG-CE1 4.49Å; S208-F275 PolarHBondContact OG-O 3.49Å; L271-F275 HydrophobicContact CD2-CD2 4.07Å; L271-F275 HydrophobicContact CD2-CE2 3.71Å; L271-F275 WeakPolarHBondContact O-CB 3.46Å; L271-F275 WeakPolarHBondContact O-CD2 3.36Å; L271-F275 PolarHBondContact O-N 3.37Å; R273-F275 PolarHBondContact O-N 3.46Å; F275-L277 VanDerWaalsContact C-N 3.29Å; F275-L277 HydrophobicContact CB-CD1 4.07Å; F275-L277 HydrophobicContact CB-CG 3.84Å; F275-L277 PolarHBondContact O-N 3.49Å
276G74.6Confident70.9Confident4 Ų451.4 Ų51.44%0.04130%0.302CS..THydrogen-bonded Turntrans67.825.5-177.900000114.1K204 P272 R273 L274 T278K204-G276 WeakPolarHBondContact CE-O 3.39Å; P272-G276 CarbonylContact O-C 3.6Å; P272-G276 PolarHBondContact O-N 2.97Å; R273-G276 PolarHBondContact O-N 3.27Å; R273-G276 VanDerWaalsContact O-N 3.14Å; L274-G276 VanDerWaalsContact C-N 3.27Å; L274-G276 PolarHBondContact O-N 3.15Å; G276-T278 PolarHBondContact O-N 3.47Å
277L78.2Confident69.9Low19 Ų1953.3 Ų53.310%0.09931%0.305CS..  trans-79.8114.1179.3-57.6175000109.4V251 L252 Y255 P272 F275V251-L277 HydrophobicContact CG1-CD2 3.76Å; L252-L277 HydrophobicContact CD2-CD2 4.24Å; Y255-L277 HydrophobicContact CD1-CB 3.8Å; Y255-L277 HydrophobicContact CD2-CB 4.24Å; Y255-L277 HydrophobicContact CD2-CD1 4.23Å; Y255-L277 HydrophobicContact CE1-CB 3.88Å; Y255-L277 HydrophobicContact CE2-CB 4.35Å; Y255-L277 HydrophobicContact CG-CB 4Å; P272-L277 HydrophobicContact CB-CB 4.24Å; P272-L277 PolarHBondContact O-N 3.44Å; F275-L277 VanDerWaalsContact C-N 3.29Å; F275-L277 HydrophobicContact CB-CD1 4.07Å; F275-L277 HydrophobicContact CB-CG 3.84Å; F275-L277 PolarHBondContact O-N 3.49Å
278T74.6Confident69.4Low37 Ų3751.7 Ų51.723%0.22729%0.288CS..  trans-123.7140.9-178.552.10000111.7Q256 G276 L309Q256-T278 PolarHBondContact NE2-O 2.99Å; G276-T278 PolarHBondContact O-N 3.47Å; T278-L309 HydrophobicContact CG2-CD2 3.69Å
279V73.6Confident69.1Low36 Ų3651.2 Ų51.222%0.21827%0.268CS..  trans-76.8121.3178179.20000108.9Y255 H261 T267 M281Y255-V279 HydrophobicContact CD1-CG2 4.41Å; Y255-V279 HydrophobicContact CE1-CG2 3.66Å; H261-V279 HydrophobicContact CB-CG2 4.03Å; T267-V279 HydrophobicContact CG2-CG2 3.67Å; V279-M281 VanDerWaalsContact CG1-C 3.44Å; V279-M281 WeakPolarHBondContact CG1-O 3.41Å
280L71.6Confident68.5Low48 Ų4854.1 Ų54.125%0.25128%0.276SS..SBendtrans-94.9-19.3176.5-62.6163.1000111.7Y310 P313L280-Y310 HydrophobicContact CD2-CD1 3.75Å; L280-Y310 HydrophobicContact CD2-CE1 4.18Å; L280-P313 HydrophobicContact CD1-CG 4.17Å
281M68.5Low67.6Low13 Ų1353.1 Ų53.16%0.06427%0.272CS..SBendtrans-141.6117.6177.4-79.2171.841.200109.9P28 R121 V279 W289 F291P28-M281 HydrophobicContact CG-CE 3.59Å; P28-M281 HydrophobicContact CG-SD 4.26Å; R121-M281 PolarHBondContact NH2-SD 3.2Å; V279-M281 VanDerWaalsContact CG1-C 3.44Å; V279-M281 WeakPolarHBondContact CG1-O 3.41Å; M281-W289 HydrophobicContact CE-CD2 4.02Å; M281-W289 HydrophobicContact CE-CE3 3.23Å; M281-W289 HydrophobicContact CE-CH2 4.28Å; M281-W289 HydrophobicContact CE-CZ3 3.38Å; M281-F291 HydrophobicContact CG-CD1 3.54Å; M281-F291 HydrophobicContact CG-CE1 3.24Å; M281-F291 HydrophobicContact CG-CG 4.36Å; M281-F291 HydrophobicContact CG-CZ 3.85Å; M281-F291 HydrophobicContact SD-CD1 4.43Å; M281-F291 HydrophobicContact SD-CE1 3.54Å; M281-F291 VanDerWaalsContact SD-CE1 3.54Å; M281-F291 HydrophobicContact SD-CZ 3.75Å
282D64.7Low66.4Low51 Ų5152.2 Ų52.227%0.27327%0.271SS..BIsolated β-bridgetrans-89.3157.1171.1-17828.9000110.6H262 S284 W289 K290H262-D282 IonicContact NE2-OD1 3.79Å; D282-S284 PolarHBondContact OD2-OG 3.45Å; D282-W289 CarbonylContact O-C 3.58Å; D282-W289 VanDerWaalsContact O-CA 3.31Å; D282-W289 WeakPolarHBondContact O-CA 3.44Å; D282-K290 HydrophobicContact CB-CB 4.27Å; D282-K290 PolarHBondContact N-O 3.47Å; D282-K290 PolarHBondContact O-N 3.46Å
283S61.2Low65.3Low2 Ų259.3 Ų59.31%0.01430%0.302CS..  trans-140.440.8-170.469.60000115.2R104 H262 W288R104-S283 PolarHBondContact NH1-O 2.99Å; R104-S283 PolarHBondContact NH2-O 3.49Å; R104-S283 PolarHBondContact NH2-OG 3.43Å; H262-S283 PolarHBondContact NE2-OG 3.32Å; S283-W288 WeakPolarHBondContact CA-O 3.45Å; S283-W288 WeakPolarHBondContact CB-O 3.27Å
284S57.6Low64Low43 Ų4360.9 Ų60.930%0.30132%0.319SS..  trans-89.8110.6-169.444.80000114.5D282 E287D282-S284 PolarHBondContact OD2-OG 3.45Å; S284-E287 CarbonylContact C-O 3.51Å; S284-E287 PolarHBondContact O-N 3.35Å
285C58.8Low62.3Low63 Ų6361.8 Ų61.843%0.42633%0.332SS..THydrogen-bonded Turntrans-52.4134.1173.5-69.90000110.3C95C95-C285 HydrophobicContact CB-CB 4.05Å; C95-C285 WeakPolarHBondContact CB-SG 3.5Å; C95-C285 WeakPolarHBondContact SG-CB 3.45Å; C95-C285 CovalentContact SG-SG 2.07Å; C95-C285 PolarHBondContact SG-SG 3.06Å
286P55.1Low60.7Low120 Ų12063.4 Ų63.478%0.77935%0.351SS*.THydrogen-bonded Turncis-86.8-14.421.233.6-37.2000116.5
287E52.8Low59.5Low110 Ų11070.1 Ų70.151%0.51439%0.386SS..SBendtrans-99.4116.6-176.9-70.9-177.2163.500110.3S284 W289 K290S284-E287 CarbonylContact C-O 3.51Å; S284-E287 PolarHBondContact O-N 3.35Å; E287-W289 PolarHBondContact O-N 3.12Å; E287-W289 VanDerWaalsContact O-N 3.14Å; E287-K290 WeakPolarHBondContact OE2-CE 3.48Å; E287-K290 IonicContact OE2-NZ 3.2Å; E287-K290 PolarHBondContact OE2-NZ 2.95Å
288W55.4Low58.1Low58 Ų5875.5 Ų75.522%0.2241%0.409CS..SBendtrans-67.8-26.5-159.8-71.145.3000113.4I94 H112 S283I94-W288 HydrophobicContact CG2-CH2 4.47Å; H112-W288 AromaticContact CD2-CH2 3.85Å; H112-W288 AromaticContact NE2-CH2 3.29Å; H112-W288 VanDerWaalsContact NE2-CH2 3.29Å; H112-W288 WeakPolarHBondContact NE2-CH2 3.36Å; H112-W288 AromaticContact NE2-CZ2 3.58Å; S283-W288 WeakPolarHBondContact CA-O 3.45Å; S283-W288 WeakPolarHBondContact CB-O 3.27Å
289W60.4Low56.8Low48 Ų4879.9 Ų79.918%0.18243%0.431CS..  trans-148.7119.5176.4-57.293.2000111.6P28 P258 M281 D282 E287P28-W289 HydrophobicContact CG-CH2 4.49Å; P28-W289 HydrophobicContact CG-CZ3 4.4Å; P258-W289 HydrophobicContact CG-CH2 3.74Å; P258-W289 HydrophobicContact CG-CZ3 3.91Å; M281-W289 HydrophobicContact CE-CD2 4.02Å; M281-W289 HydrophobicContact CE-CE3 3.23Å; M281-W289 HydrophobicContact CE-CH2 4.28Å; M281-W289 HydrophobicContact CE-CZ3 3.38Å; D282-W289 CarbonylContact O-C 3.58Å; D282-W289 VanDerWaalsContact O-CA 3.31Å; D282-W289 WeakPolarHBondContact O-CA 3.44Å; E287-W289 PolarHBondContact O-N 3.12Å; E287-W289 VanDerWaalsContact O-N 3.14Å
290K59.4Low55.6Low99 Ų9984.5 Ų84.543%0.4346%0.455SS..BIsolated β-bridgetrans-105.5126.1169.6-79.4-175.6174.5-177.10110.8D282 E287D282-K290 HydrophobicContact CB-CB 4.27Å; D282-K290 PolarHBondContact N-O 3.47Å; D282-K290 PolarHBondContact O-N 3.46Å; E287-K290 WeakPolarHBondContact OE2-CE 3.48Å; E287-K290 IonicContact OE2-NZ 3.2Å; E287-K290 PolarHBondContact OE2-NZ 2.95Å
291F60.6Low54.7Low81 Ų8187.1 Ų87.136%0.35547%0.469SS..  trans-94.3123.5162.4-66.7-91.5000108.3M281 F293 V294M281-F291 HydrophobicContact CG-CD1 3.54Å; M281-F291 HydrophobicContact CG-CE1 3.24Å; M281-F291 HydrophobicContact CG-CG 4.36Å; M281-F291 HydrophobicContact CG-CZ 3.85Å; M281-F291 HydrophobicContact SD-CD1 4.43Å; M281-F291 HydrophobicContact SD-CE1 3.54Å; M281-F291 VanDerWaalsContact SD-CE1 3.54Å; M281-F291 HydrophobicContact SD-CZ 3.75Å; F291-F293 HydrophobicContact CB-CD1 3.81Å; F291-F293 HydrophobicContact CB-CE1 4.44Å; F291-F293 PolarHBondContact O-N 2.74Å; F291-V294 PolarHBondContact O-N 3.28Å
292P55.2Low53.9Low70 Ų7088.8 Ų88.846%0.45548%0.478SS..THydrogen-bonded Turntrans-62.8-1.3-180-23.433.6000115.6V294P292-V294 VanDerWaalsContact C-N 3.29Å
293F50.4Low53.1Low151 Ų15192.1 Ų92.166%0.66250%0.495SS*.THydrogen-bonded Turntrans-77.2-10.7176.9106.7-96000113.7F291F291-F293 HydrophobicContact CB-CD1 3.81Å; F291-F293 HydrophobicContact CB-CE1 4.44Å; F291-F293 PolarHBondContact O-N 2.74Å
294V47.1Very low52.8Low103 Ų10397.4 Ų97.462%0.62452%0.522SS*.  trans-126.349.4-174.8-156.30000112F291 P292F291-V294 PolarHBondContact O-N 3.28Å; P292-V294 VanDerWaalsContact C-N 3.29Å
295A47.7Very low52.8Low57 Ų5798.3 Ų98.347%0.47152%0.522SS..  trans-96.9121.816600000108.8D297A295-D297 VanDerWaalsContact C-N 3.26Å; A295-D297 PolarHBondContact O-N 3.43Å
296P46.2Very low53.1Low119 Ų11999.2 Ų99.277%0.77352%0.519SS*.THydrogen-bonded Turntrans-76.3-4.7-172.930-35.4000115.2
297D49.3Very low54Low144 Ų14498.2 Ų98.277%0.7750%0.5SS*.THydrogen-bonded Turntrans-108.417.2-165.4-54.4-39.9000114.8A295A295-D297 VanDerWaalsContact C-N 3.26Å; A295-D297 PolarHBondContact O-N 3.43Å
298F50.5Low55.1Low133 Ų13393 Ų9358%0.58348%0.475SS*.SBendtrans-118.5127.2179.8-92.2-85.5000111.6D302F298-D302 HydrophobicContact CD1-CB 3.87Å; F298-D302 VanDerWaalsContact CD1-OD2 3.29Å; F298-D302 WeakPolarHBondContact CD1-OD2 3.35Å
299N46.7Very low56Low128 Ų12892.1 Ų92.168%0.68448%0.475SS*.  trans-55.5147176.4-76-9.9000111.8D301 D302N299-D301 PolarHBondContact O-N 3.49Å; N299-D302 WeakPolarHBondContact O-CB 3.43Å; N299-D302 PolarHBondContact O-N 3.28Å
300D49.4Very low56.7Low134 Ų13494.5 Ų94.572%0.71748%0.484SS*.Hα-helixtrans-53.8-29.9-177.3-76.9-48.6000114.1D302 L303 I304D300-D302 VanDerWaalsContact C-N 3.27Å; D300-D302 PolarHBondContact O-N 3.47Å; D300-L303 WeakPolarHBondContact O-CB 3.5Å; D300-L303 PolarHBondContact O-N 2.6Å; D300-I304 PolarHBondContact O-N 3.1Å
301D52.2Low57.6Low102 Ų10290.6 Ų90.655%0.54547%0.471SS..Hα-helixtrans-56.4-38.4175.1-64.1-41.9000112.7N299 L303 I304 M305N299-D301 PolarHBondContact O-N 3.49Å; D301-L303 VanDerWaalsContact C-N 3.31Å; D301-L303 PolarHBondContact O-N 3.28Å; D301-I304 PolarHBondContact O-N 3.41Å; D301-M305 HydrophobicContact CB-CE 4.18Å; D301-M305 VanDerWaalsContact O-CG 3.24Å; D301-M305 WeakPolarHBondContact O-CG 3.22Å; D301-M305 PolarHBondContact O-N 3.41Å
302D51.2Low58.8Low49 Ų4986.8 Ų86.826%0.26245%0.454SS..Hα-helixtrans-71.2-26.4-177.6-117.9-55.9000112.4F298 N299 D300 M305 K306F298-D302 HydrophobicContact CD1-CB 3.87Å; F298-D302 VanDerWaalsContact CD1-OD2 3.29Å; F298-D302 WeakPolarHBondContact CD1-OD2 3.35Å; N299-D302 WeakPolarHBondContact O-CB 3.43Å; N299-D302 PolarHBondContact O-N 3.28Å; D300-D302 VanDerWaalsContact C-N 3.27Å; D300-D302 PolarHBondContact O-N 3.47Å; D302-M305 PolarHBondContact O-N 3.38Å; D302-K306 PolarHBondContact O-N 2.95Å; D302-K306 WeakPolarHBondContact OD1-CE 3.36Å; D302-K306 IonicContact OD1-NZ 2.76Å; D302-K306 PolarHBondContact OD1-NZ 3.14Å
303L48.3Very low60Low120 Ų12084.6 Ų84.663%0.62844%0.44SS*.Hα-helixtrans-72.3-42.5175.1-156.984.4000110.7D300 D301 M305 K306D300-L303 WeakPolarHBondContact O-CB 3.5Å; D300-L303 PolarHBondContact O-N 2.6Å; D301-L303 VanDerWaalsContact C-N 3.31Å; D301-L303 PolarHBondContact O-N 3.28Å; L303-M305 PolarHBondContact O-N 3.44Å; L303-K306 PolarHBondContact O-N 3.46Å
304I54.5Low61.6Low113 Ų11382.5 Ų82.558%0.57943%0.434SS*.Hα-helixtrans-63.2-31.8172.3-59.8173.5000110.2D300 D301 K306 V513D300-I304 PolarHBondContact O-N 3.1Å; D301-I304 PolarHBondContact O-N 3.41Å; I304-K306 PolarHBondContact O-N 3.09Å; I304-V513 WeakPolarHBondContact O-CG2 3.32Å
305M57.4Low63.5Low62 Ų6278.2 Ų78.231%0.30541%0.409SS..Hα-helixtrans-78.3-12.2179.8-70.5176-163.500115.3D301 D302 L303 L511 P512 V513D301-M305 HydrophobicContact CB-CE 4.18Å; D301-M305 VanDerWaalsContact O-CG 3.24Å; D301-M305 WeakPolarHBondContact O-CG 3.22Å; D301-M305 PolarHBondContact O-N 3.41Å; D302-M305 PolarHBondContact O-N 3.38Å; L303-M305 PolarHBondContact O-N 3.44Å; M305-L511 HydrophobicContact CB-CD2 4.06Å; M305-L511 HydrophobicContact CG-CD2 4.06Å; M305-L511 HydrophobicContact SD-CD2 3.56Å; M305-L511 VanDerWaalsContact SD-CD2 3.56Å; M305-P512 WeakPolarHBondContact O-CG 3.24Å; M305-V513 WeakPolarHBondContact O-CG2 3.35Å
306K66.2Low65.4Low82 Ų8275.5 Ų75.536%0.35739%0.386SS..Hα-helixtrans-116.6-2.2-173-72.6167.8-179.4142.60116.4D302 L303 I304 P308 L309D302-K306 PolarHBondContact O-N 2.95Å; D302-K306 WeakPolarHBondContact OD1-CE 3.36Å; D302-K306 IonicContact OD1-NZ 2.76Å; D302-K306 PolarHBondContact OD1-NZ 3.14Å; L303-K306 PolarHBondContact O-N 3.46Å; I304-K306 PolarHBondContact O-N 3.09Å; K306-P308 WeakPolarHBondContact O-CD 3.06Å; K306-P308 VanDerWaalsContact O-N 3.16Å; K306-L309 HydrophobicContact CB-CD1 4Å; K306-L309 HydrophobicContact CG-CD1 4.16Å; K306-L309 WeakPolarHBondContact O-CB 3.42Å; K306-L309 WeakPolarHBondContact O-CD1 3.26Å; K306-L309 PolarHBondContact O-N 2.98Å
307W73.9Confident67.2Low99 Ų9971.6 Ų71.638%0.37536%0.359SS..Hα-helixtrans-53.1-32.5179.876-98000117.3L309 Y310 A311W307-L309 PolarHBondContact O-N 2.81Å; W307-L309 VanDerWaalsContact O-N 3.16Å; W307-Y310 PolarHBondContact O-N 2.88Å; W307-Y310 VanDerWaalsContact O-N 3.12Å; W307-A311 HydrophobicContact CE3-CB 3.88Å; W307-A311 HydrophobicContact CZ3-CB 3.87Å; W307-A311 PolarHBondContact O-N 3.47Å
308P75.1Confident68.9Low1 Ų167.6 Ų67.61%0.00634%0.339CS..Hα-helixtrans-65.4-23.6-175-19.231.1000113.6V203 K306 A311 N312 V513 V516V203-P308 WeakPolarHBondContact O-CB 3.41Å; K306-P308 WeakPolarHBondContact O-CD 3.06Å; K306-P308 VanDerWaalsContact O-N 3.16Å; P308-A311 PolarHBondContact O-N 3.3Å; P308-N312 PolarHBondContact O-N 2.93Å; P308-V513 HydrophobicContact CG-CG2 3.63Å; P308-V516 HydrophobicContact CB-CG2 4.32Å; P308-V516 HydrophobicContact CG-CG2 4.31Å
309L73.3Confident70.7Confident39 Ų3961.3 Ų61.320%0.20431%0.311CS..Hα-helixtrans-61.3-41.8174.7-72.3142.5000112.2T278 K306 W307 P512T278-L309 HydrophobicContact CG2-CD2 3.69Å; K306-L309 HydrophobicContact CB-CD1 4Å; K306-L309 HydrophobicContact CG-CD1 4.16Å; K306-L309 WeakPolarHBondContact O-CB 3.42Å; K306-L309 WeakPolarHBondContact O-CD1 3.26Å; K306-L309 PolarHBondContact O-N 2.98Å; W307-L309 PolarHBondContact O-N 2.81Å; W307-L309 VanDerWaalsContact O-N 3.16Å; L309-P512 HydrophobicContact CD1-CG 4.42Å
310Y75.5Confident72.7Confident98 Ų9855.6 Ų55.638%0.38428%0.281SS..Hα-helixtrans-82.1-30.2-179.5-56.5-82.2000112.5L280 W307 P313L280-Y310 HydrophobicContact CD2-CD1 3.75Å; L280-Y310 HydrophobicContact CD2-CE1 4.18Å; W307-Y310 PolarHBondContact O-N 2.88Å; W307-Y310 VanDerWaalsContact O-N 3.12Å; Y310-P313 WeakPolarHBondContact O-CD 3.4Å; Y310-P313 WeakPolarHBondContact O-CG 3.38Å
311A79.9Confident74.3Confident17 Ų1752.2 Ų52.214%0.1426%0.258CS..Hα-helixtrans-68.7-35.6178.900000113.1V203 W307 P308 I314 V315V203-A311 HydrophobicContact CG1-CB 4.22Å; W307-A311 HydrophobicContact CE3-CB 3.88Å; W307-A311 HydrophobicContact CZ3-CB 3.87Å; W307-A311 PolarHBondContact O-N 3.47Å; P308-A311 PolarHBondContact O-N 3.3Å; A311-I314 PolarHBondContact O-N 3.39Å; A311-I314 VanDerWaalsContact O-N 3.1Å; A311-V315 HydrophobicContact CB-CG2 4.5Å; A311-V315 WeakPolarHBondContact O-CG2 3.36Å; A311-V315 PolarHBondContact O-N 3.21Å
312N85.2Confident75.7Confident2 Ų250.6 Ų50.61%0.01125%0.249CC..Hα-helixtrans-47.7-57.2-175.5-17140.8000114.7V203 K204 N209 P308 I314 V315 V316V203-N312 HydrophobicContact CG1-CB 4.2Å; K204-N312 HydrophobicContact CB-CB 4.45Å; N209-N312 PolarHBondContact ND2-OD1 2.72Å; P308-N312 PolarHBondContact O-N 2.93Å; N312-I314 VanDerWaalsContact C-N 3.3Å; N312-I314 PolarHBondContact O-N 3.47Å; N312-V315 PolarHBondContact O-N 3.19Å; N312-V316 WeakPolarHBondContact O-CG2 3.4Å; N312-V316 PolarHBondContact O-N 2.78Å
313P81Confident77.3Confident23 Ų2348.2 Ų48.215%0.14924%0.237CC..Hα-helixtrans-62.6-32179.625.3-36.3000113.9L252 L280 Y310 L317L252-P313 HydrophobicContact CD1-CB 4.4Å; L280-P313 HydrophobicContact CD1-CG 4.17Å; Y310-P313 WeakPolarHBondContact O-CD 3.4Å; Y310-P313 WeakPolarHBondContact O-CG 3.38Å; P313-L317 WeakPolarHBondContact O-CB 3.43Å; P313-L317 PolarHBondContact O-N 3.46Å; P313-L317 VanDerWaalsContact O-N 3.16Å
314I83.9Confident78.9Confident108 Ų10843 Ų4355%0.55421%0.21SC*.Hα-helixtrans-71.6-44.2178.1-59.2172.2000110.1A311 N312 L317 V318A311-I314 PolarHBondContact O-N 3.39Å; A311-I314 VanDerWaalsContact O-N 3.1Å; N312-I314 VanDerWaalsContact C-N 3.3Å; N312-I314 PolarHBondContact O-N 3.47Å; I314-L317 PolarHBondContact O-N 3.03Å; I314-V318 HydrophobicContact CG2-CG2 4.48Å; I314-V318 WeakPolarHBondContact O-CG2 3.4Å; I314-V318 PolarHBondContact O-N 3.49Å
315V85.6Confident79.9Confident13 Ų1339.5 Ų39.58%0.07920%0.198CC..Hα-helixtrans-64.3-40.6179.5170.80000111.1F196 Y199 V200 A311 N312 V318 F319F196-V315 HydrophobicContact CE1-CG1 4.16Å; Y199-V315 HydrophobicContact CD1-CG1 3.9Å; Y199-V315 HydrophobicContact CD1-CG2 4.42Å; Y199-V315 HydrophobicContact CE1-CG1 4.01Å; Y199-V315 HydrophobicContact CE1-CG2 3.69Å; V200-V315 HydrophobicContact CB-CG1 4.18Å; V200-V315 HydrophobicContact CG1-CG1 4.41Å; V200-V315 HydrophobicContact CG2-CG1 3.57Å; A311-V315 HydrophobicContact CB-CG2 4.5Å; A311-V315 WeakPolarHBondContact O-CG2 3.36Å; A311-V315 PolarHBondContact O-N 3.21Å; N312-V315 PolarHBondContact O-N 3.19Å; V315-V318 PolarHBondContact O-N 3.03Å; V315-F319 VanDerWaalsContact O-CB 3.28Å; V315-F319 WeakPolarHBondContact O-CB 3.2Å; V315-F319 PolarHBondContact O-N 3.36Å
316V87.4Confident80.9Confident0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-63.3-42.2173.6174.50000111.7V200 H248 F249 N312 F319 F320V200-V316 HydrophobicContact CG1-CG2 4.23Å; H248-V316 HydrophobicContact CB-CG1 4.48Å; F249-V316 HydrophobicContact CB-CG1 4.29Å; N312-V316 WeakPolarHBondContact O-CG2 3.4Å; N312-V316 PolarHBondContact O-N 2.78Å; V316-F319 PolarHBondContact O-N 2.89Å; V316-F320 PolarHBondContact O-N 2.95Å
317L85.4Confident81.6Confident37 Ų3735.1 Ų35.119%0.19418%0.176CC..Hα-helixtrans-63-48.3176.3-173.181.2000111.8L21 F249 P313 I314 F319 F320 Y321L21-L317 HydrophobicContact CD1-CD1 4.18Å; L21-L317 HydrophobicContact CD1-CD2 4.22Å; L21-L317 HydrophobicContact CD2-CD1 4.45Å; F249-L317 HydrophobicContact CD2-CB 4.25Å; F249-L317 HydrophobicContact CD2-CD1 4.15Å; F249-L317 HydrophobicContact CE1-CD1 4.25Å; F249-L317 HydrophobicContact CE2-CB 4.13Å; F249-L317 HydrophobicContact CE2-CD1 3.85Å; F249-L317 HydrophobicContact CE2-CG 4.48Å; F249-L317 HydrophobicContact CG-CD1 4.49Å; F249-L317 HydrophobicContact CZ-CD1 3.91Å; P313-L317 WeakPolarHBondContact O-CB 3.43Å; P313-L317 PolarHBondContact O-N 3.46Å; P313-L317 VanDerWaalsContact O-N 3.16Å; I314-L317 PolarHBondContact O-N 3.03Å; L317-F319 VanDerWaalsContact C-N 3.29Å; L317-F319 PolarHBondContact O-N 3.46Å; L317-F320 WeakPolarHBondContact O-CB 3.48Å; L317-F320 PolarHBondContact O-N 2.81Å; L317-Y321 HydrophobicContact CD1-CD2 4.5Å; L317-Y321 HydrophobicContact CD1-CE2 4.02Å; L317-Y321 HydrophobicContact CG-CD2 4.18Å; L317-Y321 HydrophobicContact CG-CE2 4.07Å; L317-Y321 WeakPolarHBondContact O-CD2 3.22Å; L317-Y321 PolarHBondContact O-N 3.09Å; L317-Y321 VanDerWaalsContact O-N 3.1Å
318V84.1Confident81.5Confident60 Ų6033.2 Ų33.236%0.36417%0.171SC..Hα-helixtrans-61.9-39.6178171.70000110.9F196 I314 V315 Y321 L322F196-V318 HydrophobicContact CE1-CB 4.43Å; F196-V318 HydrophobicContact CE1-CG1 4.07Å; F196-V318 HydrophobicContact CZ-CB 4.32Å; F196-V318 HydrophobicContact CZ-CG1 3.72Å; I314-V318 HydrophobicContact CG2-CG2 4.48Å; I314-V318 WeakPolarHBondContact O-CG2 3.4Å; I314-V318 PolarHBondContact O-N 3.49Å; V315-V318 PolarHBondContact O-N 3.03Å; V318-Y321 PolarHBondContact O-N 3.3Å; V318-L322 HydrophobicContact CG1-CD1 3.81Å; V318-L322 HydrophobicContact CG1-CG 4.3Å; V318-L322 WeakPolarHBondContact O-CB 3.3Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 2.92Å
319F88.6Confident81.3Confident0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-62.5-40.6174.5-179.8-111.6000112.6L193 F196 T197 V200 Y212 L241 V315 V316 L317 L322 T323L193-F319 HydrophobicContact CD1-CE2 4.47Å; F196-F319 HydrophobicContact CD1-CB 4.1Å; F196-F319 AromaticContact CD1-CD2 3.96Å; F196-F319 HydrophobicContact CD1-CD2 3.96Å; F196-F319 HydrophobicContact CD1-CG 4.49Å; F196-F319 HydrophobicContact CE1-CB 4.07Å; T197-F319 HydrophobicContact CG2-CE2 3.78Å; T197-F319 HydrophobicContact CG2-CZ 3.68Å; V200-F319 HydrophobicContact CG2-CB 3.97Å; V200-F319 HydrophobicContact CG2-CD2 4.16Å; V200-F319 HydrophobicContact CG2-CG 4.02Å; Y212-F319 HydrophobicContact CD1-CE1 4.03Å; Y212-F319 HydrophobicContact CE1-CD1 4.19Å; Y212-F319 AromaticContact CE1-CE1 3.77Å; Y212-F319 HydrophobicContact CE1-CE1 3.77Å; L241-F319 HydrophobicContact CB-CE1 4.11Å; L241-F319 HydrophobicContact CB-CZ 4.16Å; L241-F319 HydrophobicContact CD1-CZ 4.22Å; L241-F319 HydrophobicContact CD2-CE1 4.33Å; L241-F319 HydrophobicContact CD2-CZ 4.3Å; L241-F319 HydrophobicContact CG-CZ 4.47Å; V315-F319 VanDerWaalsContact O-CB 3.28Å; V315-F319 WeakPolarHBondContact O-CB 3.2Å; V315-F319 PolarHBondContact O-N 3.36Å; V316-F319 PolarHBondContact O-N 2.89Å; L317-F319 VanDerWaalsContact C-N 3.29Å; L317-F319 PolarHBondContact O-N 3.46Å; F319-L322 PolarHBondContact O-N 3.38Å; F319-T323 HydrophobicContact CD1-CG2 4.31Å; F319-T323 HydrophobicContact CD2-CG2 3.9Å; F319-T323 HydrophobicContact CE1-CG2 3.94Å; F319-T323 HydrophobicContact CE2-CG2 3.5Å; F319-T323 HydrophobicContact CG-CG2 4.3Å; F319-T323 HydrophobicContact CZ-CG2 3.53Å; F319-T323 WeakPolarHBondContact O-CB 3.47Å; F319-T323 VanDerWaalsContact O-CG2 3.32Å; F319-T323 WeakPolarHBondContact O-CG2 3.34Å; F319-T323 PolarHBondContact O-N 2.99Å; F319-T323 PolarHBondContact O-OG1 3.31Å
320F88.4Confident81Confident9 Ų938 Ų384%0.03919%0.192CC..Hα-helixtrans-59.4-50.4172.8171.8-97.6000111.7L40 A43 I242 A246 V316 L317 L322 T323 V324L40-F320 HydrophobicContact CB-CZ 4.39Å; L40-F320 HydrophobicContact CD2-CD1 3.9Å; L40-F320 HydrophobicContact CD2-CE1 3.52Å; L40-F320 HydrophobicContact CD2-CE2 4.31Å; L40-F320 HydrophobicContact CD2-CG 4.44Å; L40-F320 HydrophobicContact CD2-CZ 3.75Å; A43-F320 HydrophobicContact CB-CE1 3.82Å; A43-F320 HydrophobicContact CB-CZ 4.32Å; I242-F320 HydrophobicContact CG2-CD2 4.3Å; I242-F320 HydrophobicContact CG2-CE2 3.96Å; A246-F320 HydrophobicContact CB-CD2 4.17Å; A246-F320 HydrophobicContact CB-CE2 3.93Å; V316-F320 PolarHBondContact O-N 2.95Å; L317-F320 WeakPolarHBondContact O-CB 3.48Å; L317-F320 PolarHBondContact O-N 2.81Å; F320-L322 PolarHBondContact O-N 3.4Å; F320-T323 PolarHBondContact O-N 3.21Å; F320-T323 PolarHBondContact O-OG1 2.85Å; F320-V324 HydrophobicContact CD2-CG2 4.23Å; F320-V324 HydrophobicContact CE1-CG2 4.38Å; F320-V324 HydrophobicContact CE2-CG2 3.94Å; F320-V324 HydrophobicContact CZ-CG2 4.02Å; F320-V324 WeakPolarHBondContact O-CB 3.39Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.28Å; F320-V324 PolarHBondContact O-N 3.31Å
321Y83.9Confident80.5Confident63 Ų6340.7 Ų40.725%0.24720%0.202CC..Hα-helixtrans-64.2-40.9178.8-80.8-81.5000112.8P17 A43 L317 V318 A325P17-Y321 WeakPolarHBondContact CB-OH 3.44Å; A43-Y321 HydrophobicContact CB-CD1 4.09Å; A43-Y321 HydrophobicContact CB-CE1 3.7Å; L317-Y321 HydrophobicContact CD1-CD2 4.5Å; L317-Y321 HydrophobicContact CD1-CE2 4.02Å; L317-Y321 HydrophobicContact CG-CD2 4.18Å; L317-Y321 HydrophobicContact CG-CE2 4.07Å; L317-Y321 WeakPolarHBondContact O-CD2 3.22Å; L317-Y321 PolarHBondContact O-N 3.09Å; L317-Y321 VanDerWaalsContact O-N 3.1Å; V318-Y321 PolarHBondContact O-N 3.3Å; Y321-A325 WeakPolarHBondContact O-CB 3.17Å; Y321-A325 PolarHBondContact O-N 3.12Å
322L81.1Confident79.4Confident67 Ų6744.1 Ų44.135%0.35122%0.218SC..Hα-helixtrans-64.3-47.7176.3-77.7172000112.2L193 F196 V318 F319 F320 A325 Q326L193-L322 HydrophobicContact CD1-CB 4.25Å; F196-L322 HydrophobicContact CD1-CD1 4.38Å; F196-L322 HydrophobicContact CE1-CD1 4.34Å; F196-L322 HydrophobicContact CG-CD1 4.46Å; F196-L322 HydrophobicContact CZ-CD1 4.41Å; V318-L322 HydrophobicContact CG1-CD1 3.81Å; V318-L322 HydrophobicContact CG1-CG 4.3Å; V318-L322 WeakPolarHBondContact O-CB 3.3Å; V318-L322 WeakPolarHBondContact O-CG 3.38Å; V318-L322 PolarHBondContact O-N 2.92Å; F319-L322 PolarHBondContact O-N 3.38Å; F320-L322 PolarHBondContact O-N 3.4Å; L322-A325 PolarHBondContact O-N 3.24Å; L322-Q326 WeakPolarHBondContact O-CB 3.14Å; L322-Q326 PolarHBondContact O-N 3.39Å
323T84.8Confident77.7Confident0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-63.5-41178.450.30000111.8L193 I242 F319 F320 Q326 Y327L193-T323 HydrophobicContact CD1-CG2 3.82Å; L193-T323 HydrophobicContact CD2-CG2 4.36Å; L193-T323 HydrophobicContact CG-CG2 4.43Å; I242-T323 WeakPolarHBondContact CG1-OG1 3.23Å; F319-T323 HydrophobicContact CD1-CG2 4.31Å; F319-T323 HydrophobicContact CD2-CG2 3.9Å; F319-T323 HydrophobicContact CE1-CG2 3.94Å; F319-T323 HydrophobicContact CE2-CG2 3.5Å; F319-T323 HydrophobicContact CG-CG2 4.3Å; F319-T323 HydrophobicContact CZ-CG2 3.53Å; F319-T323 WeakPolarHBondContact O-CB 3.47Å; F319-T323 VanDerWaalsContact O-CG2 3.32Å; F319-T323 WeakPolarHBondContact O-CG2 3.34Å; F319-T323 PolarHBondContact O-N 2.99Å; F319-T323 PolarHBondContact O-OG1 3.31Å; F320-T323 PolarHBondContact O-N 3.21Å; F320-T323 PolarHBondContact O-OG1 2.85Å; T323-Q326 PolarHBondContact O-N 2.75Å; T323-Y327 WeakPolarHBondContact O-CB 3.32Å; T323-Y327 PolarHBondContact O-N 3.24Å
324V82.9Confident75.8Confident10 Ų1049 Ų496%0.06126%0.259CS..Hα-helixtrans-64.4-42.1175170.80000111.9A43 I242 F320 Y327 K328A43-V324 HydrophobicContact CB-CG1 4.31Å; A43-V324 WeakPolarHBondContact O-CG1 3.48Å; I242-V324 HydrophobicContact CD1-CG2 4.13Å; I242-V324 HydrophobicContact CG1-CG2 4.04Å; I242-V324 HydrophobicContact CG2-CG2 3.8Å; F320-V324 HydrophobicContact CD2-CG2 4.23Å; F320-V324 HydrophobicContact CE1-CG2 4.38Å; F320-V324 HydrophobicContact CE2-CG2 3.94Å; F320-V324 HydrophobicContact CZ-CG2 4.02Å; F320-V324 WeakPolarHBondContact O-CB 3.39Å; F320-V324 VanDerWaalsContact O-CG2 3.25Å; F320-V324 WeakPolarHBondContact O-CG2 3.28Å; F320-V324 PolarHBondContact O-N 3.31Å; V324-Y327 PolarHBondContact O-N 3.4Å; V324-K328 WeakPolarHBondContact O-CG 3.49Å; V324-K328 PolarHBondContact O-N 3.49Å
325A75.4Confident73.6Confident40 Ų4053.9 Ų53.933%0.33127%0.271SS..Hα-helixtrans-63.9-48176.100000111.7Y321 L322 Y327 K328 F329Y321-A325 WeakPolarHBondContact O-CB 3.17Å; Y321-A325 PolarHBondContact O-N 3.12Å; L322-A325 PolarHBondContact O-N 3.24Å; A325-Y327 PolarHBondContact O-N 3.42Å; A325-K328 PolarHBondContact O-N 3.06Å; A325-F329 WeakPolarHBondContact O-CD2 3.47Å; A325-F329 WeakPolarHBondContact O-CG 3.21Å; A325-F329 PolarHBondContact O-N 2.67Å
326Q76.9Confident71.2Confident9 Ų959.4 Ų59.44%0.04230%0.296CS..Hα-helixtrans-62.2-41.9175.9-113.9-73.4-23.300111.7T189 N190 L322 T323 K328 F329 T330T189-Q326 PolarHBondContact OG1-NE2 3.49Å; N190-Q326 PolarHBondContact OD1-OE1 3.11Å; N190-Q326 VanDerWaalsContact OD1-OE1 3.13Å; L322-Q326 WeakPolarHBondContact O-CB 3.14Å; L322-Q326 PolarHBondContact O-N 3.39Å; T323-Q326 PolarHBondContact O-N 2.75Å; Q326-K328 PolarHBondContact O-N 2.92Å; Q326-F329 PolarHBondContact O-N 2.94Å; Q326-F329 VanDerWaalsContact O-N 3.16Å; Q326-T330 PolarHBondContact O-N 3.48Å; Q326-T330 PolarHBondContact O-OG1 2.8Å
327Y80.9Confident68.8Low42 Ų4268.6 Ų68.617%0.16533%0.332CS..Hα-helixtrans-61.7-39.4174.7175.7-110.2000112.4K239 I242 T323 V324 A325 T330 R331K239-Y327 VanDerWaalsContact CE-OH 3.23Å; K239-Y327 WeakPolarHBondContact CE-OH 3.31Å; K239-Y327 HydrophobicContact CG-CE2 4.1Å; I242-Y327 HydrophobicContact CD1-CD1 4.25Å; I242-Y327 HydrophobicContact CD1-CG 4.01Å; T323-Y327 WeakPolarHBondContact O-CB 3.32Å; T323-Y327 PolarHBondContact O-N 3.24Å; V324-Y327 PolarHBondContact O-N 3.4Å; A325-Y327 PolarHBondContact O-N 3.42Å; Y327-T330 PolarHBondContact O-N 3.43Å; Y327-T330 PolarHBondContact O-OG1 3.41Å; Y327-R331 WeakPolarHBondContact O-CB 3.2Å; Y327-R331 PolarHBondContact O-N 2.92Å
328K73Confident66.5Low60 Ų6071.9 Ų71.926%0.26135%0.348SS..Hα-helixtrans-65.2-37.5172.7-77.9-179.6175179.60112.6A43 V44 L45 V324 A325 Q326A43-K328 WeakPolarHBondContact O-CE 3.43Å; A43-K328 PolarHBondContact O-NZ 3.3Å; V44-K328 VanDerWaalsContact O-CE 3.29Å; V44-K328 WeakPolarHBondContact O-CE 3.36Å; V44-K328 PolarHBondContact O-NZ 2.94Å; L45-K328 PolarHBondContact O-NZ 2.8Å; V324-K328 WeakPolarHBondContact O-CG 3.49Å; V324-K328 PolarHBondContact O-N 3.49Å; A325-K328 PolarHBondContact O-N 3.06Å; Q326-K328 PolarHBondContact O-N 2.92Å
329F70.1Confident64.1Low111 Ų11175.5 Ų75.549%0.48737%0.366SS..Hα-helixtrans-68-37174.1-62.3-28.3000112.7A325 Q326A325-F329 WeakPolarHBondContact O-CD2 3.47Å; A325-F329 WeakPolarHBondContact O-CG 3.21Å; A325-F329 PolarHBondContact O-N 2.67Å; Q326-F329 PolarHBondContact O-N 2.94Å; Q326-F329 VanDerWaalsContact O-N 3.16Å
330T66.9Low61.9Low30 Ų3083 Ų8318%0.18441%0.406CS..Hα-helixtrans-88.7-12179.659.90000114.9N235 Q326 Y327N235-T330 PolarHBondContact OD1-OG1 3.1Å; Q326-T330 PolarHBondContact O-N 3.48Å; Q326-T330 PolarHBondContact O-OG1 2.8Å; Y327-T330 PolarHBondContact O-N 3.43Å; Y327-T330 PolarHBondContact O-OG1 3.41Å
331R64.2Low59Low154 Ų15486 Ų8658%0.58142%0.422SS*.Hα-helixtrans-79.7-42.7179.4173.9-179.9166.9171.3-2.6113.6Y327Y327-R331 WeakPolarHBondContact O-CB 3.2Å; Y327-R331 PolarHBondContact O-N 2.92Å
332N57Low56.5Low89 Ų8990.3 Ų90.348%0.47645%0.445SS..Hα-helixtrans-90-20.2-176-73.421.1000112.9S334N332-S334 PolarHBondContact O-N 3.08Å
333G50Low54Low43 Ų4396 Ų9644%0.44346%0.463SS..THydrogen-bonded Turntrans-73.416.9-170.700000117.1
334S41.7Very low51.3Low84 Ų8498.9 Ų98.959%0.58749%0.493SS*.THydrogen-bonded Turntrans-124.67.8177.976.90000114.4N332 I338N332-S334 PolarHBondContact O-N 3.08Å; S334-I338 VanDerWaalsContact O-CD1 3.22Å; S334-I338 WeakPolarHBondContact O-CD1 3.46Å
335R38.2Very low48.8Very low211 Ų211103.2 Ų103.280%0.79652%0.523SS*.THydrogen-bonded Turntrans-128-33.8179.9-155.8169.9177.9166.7-1.8113.4Y337R335-Y337 PolarHBondContact O-N 3.43Å
336E34.1Very low46.6Very low128 Ų128105.9 Ų105.960%0.59854%0.54SS*.THydrogen-bonded Turntrans-74.72161.2-78.4167.8163.500112R49R49-E336 IonicContact CZ-OE1 3.8Å; R49-E336 IonicContact NH1-OE1 3.52Å; R49-E336 PolarHBondContact NH1-OE1 3.49Å; R49-E336 IonicContact NH2-OE1 3.08Å; R49-E336 PolarHBondContact NH2-OE1 3.1Å; R49-E336 IonicContact NH2-OE2 2.74Å
337Y37.5Very low44.2Very low193 Ų193110.6 Ų110.676%0.75757%0.569SS**THydrogen-bonded Turntrans-104.111177.7-124.8-74.2000112.9R335R335-Y337 PolarHBondContact O-N 3.43Å
338I36.8Very low41.6Very low107 Ų107114.5 Ų114.555%0.54959%0.588SS.*THydrogen-bonded Turntrans-115.7-31.9-173.3-65-179.5000112.2S334 N341S334-I338 VanDerWaalsContact O-CD1 3.22Å; S334-I338 WeakPolarHBondContact O-CD1 3.46Å; I338-N341 PolarHBondContact O-OD1 3.24Å
339D33.8Very low39.7Very low136 Ų136119.3 Ų119.373%0.72761%0.612SS**SBendtrans-101.7-5.7-177.4-73-39.4000115.2N341D339-N341 PolarHBondContact O-N 2.9Å
340D41.6Very low37.9Very low158 Ų158121.8 Ų121.885%0.84563%0.625SS**SBendtrans-92.248.4156.6-83.7-22.8000109.5
341N28.9Very low36.2Very low72 Ų72125.9 Ų125.939%0.38565%0.645SS.*  -2.5135.7124.3-98.525.7000114.8I338 D339 Y343I338-N341 PolarHBondContact O-OD1 3.24Å; D339-N341 PolarHBondContact O-N 2.9Å; N341-Y343 PolarHBondContact ND2-OH 3.46Å; N341-Y343 PolarHBondContact OD1-OH 2.94Å
342E31.1Very low34.7Very low152 Ų152123.7 Ų123.771%0.7164%0.644SS**  cis-143.2121.426.5-70.6-157144.500114.3
343Y28.5Very low33.6Very low186 Ų186122.7 Ų122.773%0.72964%0.644SS**  trans54.6140.8132.5-50.6-55.6000121.3N341N341-Y343 PolarHBondContact ND2-OH 3.46Å; N341-Y343 PolarHBondContact OD1-OH 2.94Å
344G27.6Very low32.7Very low61 Ų61126.8 Ų126.863%0.62966%0.656SS**  cis-175.7159.60.400000107.5
345S31.4Very low32.2Very low101 Ų101126 Ų12671%0.70666%0.655SS**SBend40.184.852.3-153.40000113.1V347S345-V347 PolarHBondContact O-N 3.31Å
346S29Very low31.9Very low96 Ų96120.9 Ų120.967%0.67165%0.651SS**SBendtrans62.513.6135.165.80000121.5
347V26.2Very low31.7Very low109 Ų109119.1 Ų119.166%0.66165%0.653SS**SBendtrans-128-26.4-178.3-173.80000115.4S345 E349S345-V347 PolarHBondContact O-N 3.31Å; V347-E349 PolarHBondContact O-N 2.94Å
348H27.1Very low31.2Very low124 Ų124115.2 Ų115.257%0.57465%0.654SS**G310 helixtrans-74.2-6.7176.8-143-22.3000113.8E350 L351 L352H348-E350 PolarHBondContact O-N 3.22Å; H348-L351 PolarHBondContact O-N 2.81Å; H348-L352 PolarHBondContact O-N 3.42Å
349E33Very low30.8Very low161 Ų161114.8 Ų114.875%0.75267%0.666SS**G310 helixtrans-66.1-15-179.8-150.5163.4-176.500112.8V347V347-E349 PolarHBondContact O-N 2.94Å
350E31.6Very low30.5Very low162 Ų162115.6 Ų115.676%0.75767%0.671SS**G310 helixtrans-103.1-9.4176.1-67.4-172.4152.200115.1H348 S353H348-E350 PolarHBondContact O-N 3.22Å; E350-S353 PolarHBondContact O-OG 2.92Å
351L31.1Very low29.8Very low117 Ų117114.8 Ų114.861%0.61367%0.667SS**THydrogen-bonded Turntrans-103.4-25.1179.3-86.3166.9000113.3H348 S353 N354H348-L351 PolarHBondContact O-N 2.81Å; L351-S353 VanDerWaalsContact C-N 3.34Å; L351-N354 PolarHBondContact O-N 2.78Å
352L33.2Very low29.9Very low107 Ų107117.7 Ų117.756%0.5668%0.682SS**G310 helixtrans-79.9-16.1176-77.9159.3000113.3H348 N354 A355H348-L352 PolarHBondContact O-N 3.42Å; L352-N354 PolarHBondContact O-N 3.42Å; L352-A355 PolarHBondContact O-N 2.98Å
353S34.3Very low29.9Very low69 Ų69117.2 Ų117.248%0.48368%0.68SS.*G310 helixtrans-64.7-23.6168.644.90000113.6E350 L351 S356E350-S353 PolarHBondContact O-OG 2.92Å; L351-S353 VanDerWaalsContact C-N 3.34Å; S353-S356 PolarHBondContact O-OG 2.53Å
354N29.5Very low30.1Very low128 Ų128115.9 Ų115.968%0.68468%0.68SS**G310 helixtrans-91.7-9.3176.8-80-7.3000113.8L351 L352 S357L351-N354 PolarHBondContact O-N 2.78Å; L352-N354 PolarHBondContact O-N 3.42Å; N354-S357 PolarHBondContact O-OG 2.96Å
355A31.3Very low30.3Very low69 Ų69116.6 Ų116.657%0.5769%0.688SS**THydrogen-bonded Turntrans-91.8-15.8177.700000113.1L352 S357L352-A355 PolarHBondContact O-N 2.98Å; A355-S357 PolarHBondContact O-N 3.4Å
356S32.1Very low30.1Very low103 Ų103122.8 Ų122.872%0.7270%0.696SS**THydrogen-bonded Turntrans-80.516.9-179.547.90000114.9S353S353-S356 PolarHBondContact O-OG 2.53Å
357S29.8Very low30.1Very low91 Ų91121.9 Ų121.964%0.63669%0.694SS**THydrogen-bonded Turntrans-123.39.1-176.154.10000114.7N354 A355N354-S357 PolarHBondContact O-OG 2.96Å; A355-S357 PolarHBondContact O-N 3.4Å
358S27.1Very low30.2Very low110 Ų110128.3 Ų128.377%0.76971%0.707SS**SBendtrans-149.971.7175.1-71.50000113.3
359A28.1Very low30.4Very low98 Ų98127.3 Ų127.381%0.8171%0.713SS**  trans-166.844.5147.600000109.9
360N27.7Very low30.2Very low153 Ų153130.5 Ų130.582%0.81872%0.718SS**  trans-72.9115.5144.5-75.4-30.2000104.5
361D28.3Very low30.3Very low142 Ų142127.7 Ų127.776%0.75972%0.717SS**  -171.4136.4126.3-85.7-20.1000108.2
362D29.7Very low30.5Very low133 Ų133127.2 Ų127.271%0.71172%0.721SS**  trans69136.9155.2-53.8-16.5000121.8
363E32.4Very low30.4Very low141 Ų141129.5 Ų129.566%0.65973%0.733SS**  cis-152124.1-21.4-102.3-154.6131.800107.4
364Q32.6Very low30.2Very low158 Ų158136.2 Ų136.274%0.73875%0.748SS**  72.8134.496.7-66-174.944.700116.8
365G30Very low30.2Very low77 Ų77137.4 Ų137.479%0.79475%0.754SS**  trans-168.17.9-177.500000120.3
366R27.8Very low30.2Very low230 Ų230137.7 Ų137.787%0.86876%0.764SS**  trans61.6106.2164.4-84.1-179156.386.2-4.8121.5
367A30Very low30Very low77 Ų77141.8 Ų141.864%0.63677%0.771SS**  94.9121.597.400000124.3
368R28.5Very low29.9Very low245 Ų245146 Ų14693%0.92578%0.781SS**  71.4156.1127.2-69.9177.2176.9174.9-1.4120.2
369S30.1Very low30.2Very low102 Ų102150.6 Ų150.671%0.71379%0.79SS**  cis-177.1168.4-23.5-168.70000111.7
370R29.9Very low30.1Very low228 Ų228148.2 Ų148.286%0.8678%0.775SS**  trans88.6106.6151.5-86.9177177.4172-2.4124.3
371S32.3Very low30.1Very low104 Ų104147 Ų14773%0.72778%0.779SS**  64.9167.4120.466.40000123.2
372P36.3Very low30Very low106 Ų106147.3 Ų147.369%0.68878%0.779SS**  cis-139.6-177.3-47.940.1-22.5000115.9
373L31.2Very low30.1Very low156 Ų156145.9 Ų145.982%0.81778%0.777SS**  trans80.9120.8153.4-79.8159.6000124.2
374R28.8Very low30.1Very low210 Ų210144.8 Ų144.879%0.79278%0.775SS**  84.789123-169.1171.7170.6-179.2-5.5122.7
375N30.8Very low30.4Very low152 Ų152148.3 Ų148.381%0.81378%0.781SS**  161.5137.4115.3-90-9.8000111.4
376G30.3Very low30.9Very low76 Ų76150.1 Ų150.178%0.78477%0.768SS**SBendtrans122.448166.400000118.8
377E28.4Very low31.7Very low188 Ų188141.5 Ų141.588%0.87974%0.74SS**  trans70124.7150.3-72173.3172.500123.2
378E27.5Very low32.7Very low180 Ų180140.9 Ų140.984%0.84173%0.728SS**  trans64.288.3146.4-55.2-155152.200121G380E378-G380 PolarHBondContact O-N 2.6Å
379Q32.9Very low34.1Very low206 Ų206129.8 Ų129.896%0.96369%0.688SS**  trans-48.2109.4135.7-65.9170.5-22.600111
380G27.4Very low35.5Very low48 Ų48128.4 Ų128.450%0.49567%0.671SS.*  trans-121.1148.7161.300000110E378 I382E378-G380 PolarHBondContact O-N 2.6Å; G380-I382 PolarHBondContact O-N 2.89Å
381S27.2Very low36.8Very low127 Ų127120.8 Ų120.889%0.88865%0.65SS**  trans-68.172.6172.844.20000111.3P383S381-P383 WeakPolarHBondContact O-CD 3.49Å
382I25.2Very low38.1Very low150 Ų150117.5 Ų117.577%0.76963%0.625SS**  trans-77.1116.7-172.3-65.5160.1000109.6G380G380-I382 PolarHBondContact O-N 2.89Å
383P32.4Very low39.3Very low103 Ų103113 Ų11367%0.66960%0.595SS**  trans-70154.5-165.127.1-36000113.2S381 R385S381-P383 WeakPolarHBondContact O-CD 3.49Å; P383-R385 PolarHBondContact O-N 3.11Å
384L33.3Very low40.8Very low117 Ų117110.1 Ų110.161%0.61357%0.573SS**  trans-47.9102.7173.5-81.6145.8000110.4K386L384-K386 PolarHBondContact O-N 3.05Å
385R38.1Very low42.3Very low232 Ų232103.4 Ų103.488%0.87555%0.553SS**  trans-58.3121.5-165-171.1179-174.8-167.11.3110.8P383 V387P383-R385 PolarHBondContact O-N 3.11Å; R385-V387 PolarHBondContact O-N 2.97Å
386K40.5Very low43.7Very low116 Ų116101 Ų10150%0.50454%0.536SS..  trans-28.8107.9179.6-95.4-175.1172.5-179.60112L384 T388 E543L384-K386 PolarHBondContact O-N 3.05Å; K386-T388 PolarHBondContact O-N 3.26Å; K386-E543 IonicContact NZ-OE1 3.93Å; K386-E543 PolarHBondContact NZ-OE1 3.38Å
387V44.4Very low45.2Very low49 Ų4998.2 Ų98.230%0.29750%0.503SS..  trans-64.7101.6170.7179.60000107.4R385 V391 V392 I554R385-V387 PolarHBondContact O-N 2.97Å; V387-V391 HydrophobicContact CG1-CB 4.39Å; V387-V392 HydrophobicContact CG1-CG2 3.82Å; V387-I554 HydrophobicContact CG2-CD1 4.37Å
388T50.6Low46.7Very low63 Ų6390 Ų9039%0.38747%0.466SS..  trans-70152.9-177.462.60000110.6K386 Q390 V391K386-T388 PolarHBondContact O-N 3.26Å; T388-Q390 PolarHBondContact O-N 2.93Å; T388-Q390 VanDerWaalsContact O-N 3.08Å; T388-V391 PolarHBondContact O-N 3.36Å
389S58.6Low48.2Very low12 Ų1286.9 Ų86.98%0.08446%0.455CS..Hα-helixtrans-48.8-36.9176.948.40000112.9V391 V392 D393S389-V391 PolarHBondContact O-N 3.49Å; S389-V392 PolarHBondContact O-N 2.87Å; S389-D393 PolarHBondContact O-N 3.33Å
390Q58.8Low49.3Very low74 Ų7483.1 Ų83.135%0.34644%0.44SS..Hα-helixtrans-56.8-40.5177.3-63.8174.4-52.900114.2T388 D393 R394T388-Q390 PolarHBondContact O-N 2.93Å; T388-Q390 VanDerWaalsContact O-N 3.08Å; Q390-D393 PolarHBondContact O-N 2.97Å; Q390-R394 WeakPolarHBondContact O-CB 3.3Å; Q390-R394 PolarHBondContact O-N 3.11Å
391V57Low50.7Low68 Ų6884.2 Ų84.241%0.41243%0.432SS..Hα-helixtrans-70.9-38.9-179.1-178.90000110.2V387 T388 S389 R394 N395V387-V391 HydrophobicContact CG1-CB 4.39Å; T388-V391 PolarHBondContact O-N 3.36Å; S389-V391 PolarHBondContact O-N 3.49Å; V391-R394 PolarHBondContact O-N 3.04Å; V391-N395 PolarHBondContact O-N 3.07Å
392V60.7Low52Low34 Ų3479.9 Ų79.921%0.20640%0.398CS..Hα-helixtrans-71.7-34.4176.3-171.90000111.4V387 S389 K396 Y542V387-V392 HydrophobicContact CG1-CG2 3.82Å; S389-V392 PolarHBondContact O-N 2.87Å; V392-K396 WeakPolarHBondContact O-CB 3.32Å; V392-K396 WeakPolarHBondContact O-CG 3.29Å; V392-K396 PolarHBondContact O-N 3.06Å; V392-Y542 HydrophobicContact CB-CE1 4.29Å; V392-Y542 HydrophobicContact CG1-CE1 3.98Å; V392-Y542 WeakPolarHBondContact CG1-OH 3.47Å; V392-Y542 HydrophobicContact CG2-CD1 4.35Å; V392-Y542 HydrophobicContact CG2-CE1 4Å
393D61Low53Low13 Ų1377.1 Ų77.17%0.0739%0.388CS..Hα-helixtrans-61.6-50.8170.5-90.3-44000111.6S389 Q390 N395 K396 L397 R538S389-D393 PolarHBondContact O-N 3.33Å; Q390-D393 PolarHBondContact O-N 2.97Å; D393-N395 VanDerWaalsContact C-N 3.28Å; D393-N395 PolarHBondContact O-N 3.05Å; D393-K396 PolarHBondContact O-N 3.41Å; D393-K396 VanDerWaalsContact O-N 3.11Å; D393-L397 HydrophobicContact CB-CD1 4.48Å; D393-L397 WeakPolarHBondContact O-CB 3.45Å; D393-L397 WeakPolarHBondContact O-CD1 3.28Å; D393-L397 WeakPolarHBondContact O-CG 3.5Å; D393-L397 PolarHBondContact O-N 2.88Å; D393-R538 VanDerWaalsContact CG-CZ 3.42Å; D393-R538 VanDerWaalsContact CG-NH1 3.26Å; D393-R538 IonicContact OD1-CZ 2.74Å; D393-R538 IonicContact OD1-NH1 3.03Å; D393-R538 PolarHBondContact OD1-NH1 3.23Å; D393-R538 IonicContact OD1-NH2 3.4Å; D393-R538 PolarHBondContact OD1-NH2 3.41Å; D393-R538 IonicContact OD2-CZ 3.64Å; D393-R538 IonicContact OD2-NE 3.33Å; D393-R538 IonicContact OD2-NH1 2.7Å; D393-R538 PolarHBondContact OD2-NH1 3.44Å; D393-R538 VanDerWaalsContact OD2-NH1 3.07Å; D393-R538 IonicContact OD2-NH2 3.38Å; D393-R538 PolarHBondContact OD2-NH2 2.78Å
394R62.4Low53.4Low94 Ų9478.8 Ų78.836%0.35540%0.399SS..Hα-helixtrans-53.7-45.3178.7-173-175.4166.6111.55.6111.7Q390 V391 L397 S398 I416Q390-R394 WeakPolarHBondContact O-CB 3.3Å; Q390-R394 PolarHBondContact O-N 3.11Å; V391-R394 PolarHBondContact O-N 3.04Å; R394-L397 PolarHBondContact O-N 2.74Å; R394-S398 PolarHBondContact O-N 2.76Å; R394-I416 HydrophobicContact CG-CG2 3.66Å
395N60.3Low53.9Low69 Ų6977 Ų7737%0.36941%0.41SS..Hα-helixtrans-74-30.3178.6-80.313.7000113.9V391 D393 S398 N399V391-N395 PolarHBondContact O-N 3.07Å; D393-N395 VanDerWaalsContact C-N 3.28Å; D393-N395 PolarHBondContact O-N 3.05Å; N395-S398 WeakPolarHBondContact CA-OG 3.32Å; N395-S398 PolarHBondContact O-OG 3.21Å; N395-N399 VanDerWaalsContact O-CG 3.31Å; N395-N399 PolarHBondContact O-N 3.42Å; N395-N399 VanDerWaalsContact O-N 3.16Å; N395-N399 PolarHBondContact O-OD1 3.35Å
396K60.8Low54.2Low102 Ų10270.9 Ų70.944%0.44339%0.394SS..Hα-helixtrans-70.1-39.2171.4-80.6-179173.61780111.6V392 D393 N399 I400V392-K396 WeakPolarHBondContact O-CB 3.32Å; V392-K396 WeakPolarHBondContact O-CG 3.29Å; V392-K396 PolarHBondContact O-N 3.06Å; D393-K396 PolarHBondContact O-N 3.41Å; D393-K396 VanDerWaalsContact O-N 3.11Å; K396-N399 PolarHBondContact O-N 2.87Å; K396-I400 WeakPolarHBondContact O-CD1 3.16Å; K396-I400 VanDerWaalsContact O-CG1 3.29Å; K396-I400 WeakPolarHBondContact O-CG1 3.48Å; K396-I400 PolarHBondContact O-N 3.39Å
397L61.2Low54.4Low18 Ų1875.2 Ų75.29%0.09441%0.413CS..Hα-helixtrans-66-41.8173.8-75.5156.8000111.1D393 R394 N399 I400 F401 I416 M419 I423D393-L397 HydrophobicContact CB-CD1 4.48Å; D393-L397 WeakPolarHBondContact O-CB 3.45Å; D393-L397 WeakPolarHBondContact O-CD1 3.28Å; D393-L397 WeakPolarHBondContact O-CG 3.5Å; D393-L397 PolarHBondContact O-N 2.88Å; R394-L397 PolarHBondContact O-N 2.74Å; L397-N399 VanDerWaalsContact C-N 3.33Å; L397-N399 PolarHBondContact O-N 2.71Å; L397-I400 PolarHBondContact O-N 2.96Å; L397-I400 VanDerWaalsContact O-N 3.12Å; L397-F401 HydrophobicContact CD2-CE2 3.87Å; L397-F401 WeakPolarHBondContact O-CD2 3.03Å; L397-F401 PolarHBondContact O-N 3.3Å; L397-I416 HydrophobicContact CB-CG1 4.34Å; L397-M419 HydrophobicContact CD1-CB 3.8Å; L397-M419 HydrophobicContact CD2-CB 3.91Å; L397-M419 HydrophobicContact CD2-CG 4.01Å; L397-M419 HydrophobicContact CD2-SD 4.38Å; L397-I423 HydrophobicContact CD1-CD1 4.22Å
398S60.5Low54.6Low14 Ų1476.2 Ų76.210%0.09842%0.415CS..Hα-helixtrans-61.9-38.9175.767.80000112.4R394 N395 I400 F401 N402R394-S398 PolarHBondContact O-N 2.76Å; N395-S398 WeakPolarHBondContact CA-OG 3.32Å; N395-S398 PolarHBondContact O-OG 3.21Å; S398-I400 VanDerWaalsContact C-N 3.25Å; S398-I400 PolarHBondContact O-N 2.94Å; S398-F401 PolarHBondContact O-N 3.5Å; S398-N402 WeakPolarHBondContact O-CA 3.48Å; S398-N402 WeakPolarHBondContact O-CB 3.49Å; S398-N402 PolarHBondContact O-N 3Å
399N58.4Low54.7Low115 Ų11576.6 Ų76.662%0.61542%0.419SS*.Hα-helixtrans-74.8-12177.2-68.35000113.9N395 K396 L397N395-N399 VanDerWaalsContact O-CG 3.31Å; N395-N399 PolarHBondContact O-N 3.42Å; N395-N399 VanDerWaalsContact O-N 3.16Å; N395-N399 PolarHBondContact O-OD1 3.35Å; K396-N399 PolarHBondContact O-N 2.87Å; L397-N399 VanDerWaalsContact C-N 3.33Å; L397-N399 PolarHBondContact O-N 2.71Å
400I56.7Low54Low128 Ų12880 Ų8066%0.65645%0.448SS*.Hα-helixtrans-87.5-32.9170.7-69.7163.6000110.6K396 L397 S398K396-I400 WeakPolarHBondContact O-CD1 3.16Å; K396-I400 VanDerWaalsContact O-CG1 3.29Å; K396-I400 WeakPolarHBondContact O-CG1 3.48Å; K396-I400 PolarHBondContact O-N 3.39Å; L397-I400 PolarHBondContact O-N 2.96Å; L397-I400 VanDerWaalsContact O-N 3.12Å; S398-I400 VanDerWaalsContact C-N 3.25Å; S398-I400 PolarHBondContact O-N 2.94Å
401F55.9Low53.4Low71 Ų7179.7 Ų79.731%0.31146%0.458SS..Hα-helixtrans-101.2-15.1-175.1-66.9-57.5000115.5L397 S398 M415 I416L397-F401 HydrophobicContact CD2-CE2 3.87Å; L397-F401 WeakPolarHBondContact O-CD2 3.03Å; L397-F401 PolarHBondContact O-N 3.3Å; S398-F401 PolarHBondContact O-N 3.5Å; F401-M415 HydrophobicContact CD1-CE 3.49Å; F401-M415 VanDerWaalsContact CD1-CE 3.49Å; F401-M415 HydrophobicContact CD2-CE 4.48Å; F401-M415 HydrophobicContact CE1-CE 3.45Å; F401-M415 VanDerWaalsContact CE1-CE 3.45Å; F401-M415 HydrophobicContact CE1-SD 4.49Å; F401-M415 HydrophobicContact CE2-CE 4.45Å; F401-M415 HydrophobicContact CG-CE 4.04Å; F401-M415 HydrophobicContact CZ-CE 3.97Å; F401-I416 HydrophobicContact CD2-CG1 4.17Å
402N55.3Low53.3Low35 Ų3576.9 Ų76.919%0.18744%0.442CS..SBendtrans-133.5145.1178.1-53.7-36.5000111S398 S412S398-N402 WeakPolarHBondContact O-CA 3.48Å; S398-N402 WeakPolarHBondContact O-CB 3.49Å; S398-N402 PolarHBondContact O-N 3Å; N402-S412 PolarHBondContact OD1-OG 3.37Å; N402-S412 VanDerWaalsContact OD1-OG 3.1Å
403T46.1Very low53.1Low92 Ų9279.2 Ų79.256%0.56445%0.449SS*.  trans-76152.4166.97.40000111.4G405 D406T403-G405 PolarHBondContact O-N 3.24Å; T403-D406 WeakPolarHBondContact CB-OD2 3.29Å; T403-D406 PolarHBondContact O-N 3.25Å; T403-D406 PolarHBondContact OG1-OD2 3.49Å
404P40.1Very low52.8Low138 Ų13880.2 Ų80.290%0.89646%0.463SS*.THydrogen-bonded Turntrans-62.8112177.9-17.130.2000110.6
405G44.7Very low52.5Low81 Ų8180 Ų8084%0.83547%0.467SS*.THydrogen-bonded Turntrans115.8-13.9179.300000115.8T403T403-G405 PolarHBondContact O-N 3.24Å
406D44.6Very low52.5Low102 Ų10276.8 Ų76.855%0.54545%0.45SS..  trans-82.8136.3179.8-78.6-55.3000113.1T403 E408T403-D406 WeakPolarHBondContact CB-OD2 3.29Å; T403-D406 PolarHBondContact O-N 3.25Å; T403-D406 PolarHBondContact OG1-OD2 3.49Å; D406-E408 PolarHBondContact O-N 3.07Å
407K44.1Very low52.4Low207 Ų20774.6 Ų74.690%0.945%0.451SS*.  trans-69.6125.5177.9-71.7-176.2177.2-179.60110.9S409K407-S409 PolarHBondContact O-N 2.58Å; K407-S409 VanDerWaalsContact O-N 3.09Å
408E49.7Very low52.4Low71 Ų7178.2 Ų78.233%0.33247%0.473SS..  trans-53.3109.8-177.3-67.2-171.5146.700113.7D406 K413D406-E408 PolarHBondContact O-N 3.07Å; E408-K413 HydrophobicContact CB-CD 4.26Å; E408-K413 HydrophobicContact CB-CG 4.03Å; E408-K413 WeakPolarHBondContact OE2-CE 3.29Å; E408-K413 IonicContact OE2-NZ 3.35Å
409S51.8Low52.5Low70 Ų7081.7 Ų81.749%0.4949%0.489SS..  trans-63148.7172.11770000112K407 A411 S412 K413K407-S409 PolarHBondContact O-N 2.58Å; K407-S409 VanDerWaalsContact O-N 3.09Å; S409-A411 PolarHBondContact O-N 2.9Å; S409-A411 PolarHBondContact OG-N 3.44Å; S409-S412 PolarHBondContact N-OG 3.48Å; S409-S412 PolarHBondContact O-N 3.01Å; S409-S412 VanDerWaalsContact O-N 3.11Å; S409-S412 PolarHBondContact O-OG 3.34Å; S409-K413 PolarHBondContact O-N 3.13Å
410A43.6Very low52.8Low83 Ų8377.7 Ų77.769%0.68647%0.469SS*.Hα-helixtrans-57.9-32.6175.400000112.5G414A410-G414 PolarHBondContact O-N 2.93Å
411A45.7Very low53.1Low68 Ų6877.7 Ų77.756%0.56247%0.465SS*.Hα-helixtrans-69.5-41.7175.400000112.5S409 G414 M415S409-A411 PolarHBondContact O-N 2.9Å; S409-A411 PolarHBondContact OG-N 3.44Å; A411-G414 PolarHBondContact O-N 2.96Å; A411-M415 PolarHBondContact O-N 3.16Å
412S55.9Low53.6Low10 Ų1077.8 Ų77.87%0.0747%0.471CS..Hα-helixtrans-71.5-37.917660.50000111.6N402 S409 G414 M415 I416N402-S412 PolarHBondContact OD1-OG 3.37Å; N402-S412 VanDerWaalsContact OD1-OG 3.1Å; S409-S412 PolarHBondContact N-OG 3.48Å; S409-S412 PolarHBondContact O-N 3.01Å; S409-S412 VanDerWaalsContact O-N 3.11Å; S409-S412 PolarHBondContact O-OG 3.34Å; S412-G414 VanDerWaalsContact C-N 3.31Å; S412-G414 PolarHBondContact O-N 3.05Å; S412-M415 PolarHBondContact O-N 2.96Å; S412-I416 VanDerWaalsContact O-CB 3.29Å; S412-I416 WeakPolarHBondContact O-CB 3.09Å; S412-I416 WeakPolarHBondContact O-CD1 3.19Å; S412-I416 WeakPolarHBondContact O-CG1 3.24Å; S412-I416 PolarHBondContact O-N 3.49Å
413K56.3Low54.2Low82 Ų8278.7 Ų78.736%0.35748%0.475SS..Hα-helixtrans-55.4-43.9167.7-76.9175.2171.3161.90112.4E408 S409 A417E408-K413 HydrophobicContact CB-CD 4.26Å; E408-K413 HydrophobicContact CB-CG 4.03Å; E408-K413 WeakPolarHBondContact OE2-CE 3.29Å; E408-K413 IonicContact OE2-NZ 3.35Å; S409-K413 PolarHBondContact O-N 3.13Å; K413-A417 WeakPolarHBondContact O-CB 3.03Å; K413-A417 PolarHBondContact O-N 3.04Å
414G54.9Low55.5Low35 Ų3577.8 Ų77.836%0.36146%0.463SS..Hα-helixtrans-61.8-52.517600000112.7A410 A411 S412 I416 A417 V418A410-G414 PolarHBondContact O-N 2.93Å; A411-G414 PolarHBondContact O-N 2.96Å; S412-G414 VanDerWaalsContact C-N 3.31Å; S412-G414 PolarHBondContact O-N 3.05Å; G414-I416 PolarHBondContact O-N 3.19Å; G414-A417 PolarHBondContact O-N 3.28Å; G414-V418 WeakPolarHBondContact O-CG2 3.41Å; G414-V418 PolarHBondContact O-N 3.3Å
415M55.1Low57Low90 Ų9074.1 Ų74.144%0.44343%0.434SS..Hα-helixtrans-62.8-39.2177.9-69-158.9-53.400112.9F401 A411 S412 A417 V418 M419F401-M415 HydrophobicContact CD1-CE 3.49Å; F401-M415 VanDerWaalsContact CD1-CE 3.49Å; F401-M415 HydrophobicContact CD2-CE 4.48Å; F401-M415 HydrophobicContact CE1-CE 3.45Å; F401-M415 VanDerWaalsContact CE1-CE 3.45Å; F401-M415 HydrophobicContact CE1-SD 4.49Å; F401-M415 HydrophobicContact CE2-CE 4.45Å; F401-M415 HydrophobicContact CG-CE 4.04Å; F401-M415 HydrophobicContact CZ-CE 3.97Å; A411-M415 PolarHBondContact O-N 3.16Å; S412-M415 PolarHBondContact O-N 2.96Å; M415-A417 VanDerWaalsContact C-N 3.34Å; M415-V418 PolarHBondContact O-N 2.98Å; M415-M419 VanDerWaalsContact O-CB 3.27Å; M415-M419 WeakPolarHBondContact O-CB 3.44Å; M415-M419 VanDerWaalsContact O-CG 3.23Å; M415-M419 WeakPolarHBondContact O-CG 3.03Å; M415-M419 PolarHBondContact O-N 2.64Å
416I61.8Low58.5Low0 Ų070.7 Ų70.70%040%0.397CS..Hα-helixtrans-62.5-42.5175.5-69.5164.3000110.2R394 L397 F401 S412 G414 T420R394-I416 HydrophobicContact CG-CG2 3.66Å; L397-I416 HydrophobicContact CB-CG1 4.34Å; F401-I416 HydrophobicContact CD2-CG1 4.17Å; S412-I416 VanDerWaalsContact O-CB 3.29Å; S412-I416 WeakPolarHBondContact O-CB 3.09Å; S412-I416 WeakPolarHBondContact O-CD1 3.19Å; S412-I416 WeakPolarHBondContact O-CG1 3.24Å; S412-I416 PolarHBondContact O-N 3.49Å; G414-I416 PolarHBondContact O-N 3.19Å; I416-T420 VanDerWaalsContact O-CB 3.32Å; I416-T420 WeakPolarHBondContact O-CB 3.26Å; I416-T420 PolarHBondContact O-N 2.98Å; I416-T420 PolarHBondContact O-OG1 3.11Å
417A58.8Low60.4Low56 Ų5667.6 Ų67.646%0.46338%0.378SS..Hα-helixtrans-65.7-45.1176.300000112.6K413 G414 M415 T420 F421K413-A417 WeakPolarHBondContact O-CB 3.03Å; K413-A417 PolarHBondContact O-N 3.04Å; G414-A417 PolarHBondContact O-N 3.28Å; M415-A417 VanDerWaalsContact C-N 3.34Å; A417-T420 PolarHBondContact O-N 3.04Å; A417-F421 WeakPolarHBondContact O-CB 3.39Å; A417-F421 PolarHBondContact O-N 2.87Å
418V61Low62Low94 Ų9459.3 Ų59.357%0.5735%0.346SS*.Hα-helixtrans-63.9-47.1177.2172.50000111.3G414 M415 T420 F421 V422G414-V418 WeakPolarHBondContact O-CG2 3.41Å; G414-V418 PolarHBondContact O-N 3.3Å; M415-V418 PolarHBondContact O-N 2.98Å; V418-T420 VanDerWaalsContact C-N 3.31Å; V418-T420 PolarHBondContact O-N 3.05Å; V418-F421 WeakPolarHBondContact O-CB 3.27Å; V418-F421 PolarHBondContact O-N 3.18Å; V418-V422 HydrophobicContact CG1-CG2 4.33Å; V418-V422 WeakPolarHBondContact O-CG2 3.37Å; V418-V422 PolarHBondContact O-N 2.81Å
419M62Low63.5Low88 Ų8859.9 Ų59.943%0.43335%0.351SS..Hα-helixtrans-59.1-42.3175.5-75-82.5177.300111.6L397 M415 V422 I423L397-M419 HydrophobicContact CD1-CB 3.8Å; L397-M419 HydrophobicContact CD2-CB 3.91Å; L397-M419 HydrophobicContact CD2-CG 4.01Å; L397-M419 HydrophobicContact CD2-SD 4.38Å; M415-M419 VanDerWaalsContact O-CB 3.27Å; M415-M419 WeakPolarHBondContact O-CB 3.44Å; M415-M419 VanDerWaalsContact O-CG 3.23Å; M415-M419 WeakPolarHBondContact O-CG 3.03Å; M415-M419 PolarHBondContact O-N 2.64Å; M419-V422 PolarHBondContact O-N 2.95Å; M419-I423 WeakPolarHBondContact O-CB 3.28Å; M419-I423 WeakPolarHBondContact O-CD1 3.37Å; M419-I423 WeakPolarHBondContact O-CG1 3.35Å; M419-I423 PolarHBondContact O-N 3Å
420T64.1Low65Low30 Ų3056.6 Ų56.618%0.18433%0.328CS..Hα-helixtrans-65.9-38.5177-53.70000111.8I416 A417 V418 F424I416-T420 VanDerWaalsContact O-CB 3.32Å; I416-T420 WeakPolarHBondContact O-CB 3.26Å; I416-T420 PolarHBondContact O-N 2.98Å; I416-T420 PolarHBondContact O-OG1 3.11Å; A417-T420 PolarHBondContact O-N 3.04Å; V418-T420 VanDerWaalsContact C-N 3.31Å; V418-T420 PolarHBondContact O-N 3.05Å; T420-F424 WeakPolarHBondContact O-CB 3.46Å; T420-F424 PolarHBondContact O-N 3.49Å
421F64.4Low66.9Low129 Ų12952.9 Ų52.957%0.56630%0.296SS*.Hα-helixtrans-66.2-46.2175.7-179.2-93.5000112.2A417 V418 I423 F424 H425A417-F421 WeakPolarHBondContact O-CB 3.39Å; A417-F421 PolarHBondContact O-N 2.87Å; V418-F421 WeakPolarHBondContact O-CB 3.27Å; V418-F421 PolarHBondContact O-N 3.18Å; F421-I423 PolarHBondContact O-N 2.77Å; F421-F424 PolarHBondContact O-N 3.04Å; F421-F424 VanDerWaalsContact O-N 3.15Å; F421-H425 AromaticContact CD2-CD2 3.65Å; F421-H425 AromaticContact CD2-NE2 3.96Å; F421-H425 AromaticContact CE1-CD2 3.89Å; F421-H425 AromaticContact CE2-CD2 3.33Å; F421-H425 WeakPolarHBondContact CE2-CD2 3.28Å; F421-H425 AromaticContact CE2-NE2 3.33Å; F421-H425 VanDerWaalsContact CE2-NE2 3.33Å; F421-H425 WeakPolarHBondContact CE2-NE2 3.39Å; F421-H425 AromaticContact CZ-CD2 3.46Å; F421-H425 VanDerWaalsContact CZ-CD2 3.46Å; F421-H425 WeakPolarHBondContact CZ-CD2 3.21Å; F421-H425 AromaticContact CZ-NE2 3.68Å; F421-H425 PolarHBondContact O-CD2 3.16Å; F421-H425 PolarHBondContact O-N 3.02Å
422V64.8Low68.5Low73 Ų7353 Ų5344%0.44229%0.29SS..Hα-helixtrans-61.6-43.3176.2171.10000111.2V418 M419 F424 H425 S426V418-V422 HydrophobicContact CG1-CG2 4.33Å; V418-V422 WeakPolarHBondContact O-CG2 3.37Å; V418-V422 PolarHBondContact O-N 2.81Å; M419-V422 PolarHBondContact O-N 2.95Å; V422-F424 VanDerWaalsContact C-N 3.3Å; V422-F424 PolarHBondContact O-N 3.29Å; V422-H425 PolarHBondContact O-N 3.29Å; V422-S426 WeakPolarHBondContact O-CA 3.45Å; V422-S426 WeakPolarHBondContact O-CB 3.28Å; V422-S426 PolarHBondContact O-N 2.93Å
423I68.8Low69.8Low53 Ų5353 Ų5327%0.27229%0.291SS..Hα-helixtrans-61-39.9174.7-70165.3000110.8L397 M419 F421 S426 L535L397-I423 HydrophobicContact CD1-CD1 4.22Å; M419-I423 WeakPolarHBondContact O-CB 3.28Å; M419-I423 WeakPolarHBondContact O-CD1 3.37Å; M419-I423 WeakPolarHBondContact O-CG1 3.35Å; M419-I423 PolarHBondContact O-N 3Å; F421-I423 PolarHBondContact O-N 2.77Å; I423-S426 WeakPolarHBondContact O-CB 3.3Å; I423-S426 PolarHBondContact O-OG 3.5Å; I423-L535 HydrophobicContact CG2-CD2 4.14Å
424F72.2Confident71.2Confident74 Ų7449.3 Ų49.333%0.32528%0.275SS..Hα-helixtrans-71.7-40.1179.5-172-105.9000113.9T420 F421 V422 Y427T420-F424 WeakPolarHBondContact O-CB 3.46Å; T420-F424 PolarHBondContact O-N 3.49Å; F421-F424 PolarHBondContact O-N 3.04Å; F421-F424 VanDerWaalsContact O-N 3.15Å; V422-F424 VanDerWaalsContact C-N 3.3Å; V422-F424 PolarHBondContact O-N 3.29Å; F424-Y427 WeakPolarHBondContact O-CD1 3.42Å
425H73.1Confident72.5Confident61 Ų6149.3 Ų49.328%0.28227%0.266SS..Hα-helixtrans-88-2.1179.4-76.9-85.6000114.3F421 V422 Y427 S428F421-H425 AromaticContact CD2-CD2 3.65Å; F421-H425 AromaticContact CD2-NE2 3.96Å; F421-H425 AromaticContact CE1-CD2 3.89Å; F421-H425 AromaticContact CE2-CD2 3.33Å; F421-H425 WeakPolarHBondContact CE2-CD2 3.28Å; F421-H425 AromaticContact CE2-NE2 3.33Å; F421-H425 VanDerWaalsContact CE2-NE2 3.33Å; F421-H425 WeakPolarHBondContact CE2-NE2 3.39Å; F421-H425 AromaticContact CZ-CD2 3.46Å; F421-H425 VanDerWaalsContact CZ-CD2 3.46Å; F421-H425 WeakPolarHBondContact CZ-CD2 3.21Å; F421-H425 AromaticContact CZ-NE2 3.68Å; F421-H425 PolarHBondContact O-CD2 3.16Å; F421-H425 PolarHBondContact O-N 3.02Å; V422-H425 PolarHBondContact O-N 3.29Å; H425-Y427 PolarHBondContact O-N 3.29Å; H425-S428 WeakPolarHBondContact O-CB 3.38Å; H425-S428 PolarHBondContact O-N 3.5Å; H425-S428 PolarHBondContact O-OG 3.42Å
426S76.8Confident73.7Confident8 Ų847.4 Ų47.46%0.05626%0.26CS..Hα-helixtrans-50-3018057.10000115.3V422 I423 S428 I429 A430 L535V422-S426 WeakPolarHBondContact O-CA 3.45Å; V422-S426 WeakPolarHBondContact O-CB 3.28Å; V422-S426 PolarHBondContact O-N 2.93Å; I423-S426 WeakPolarHBondContact O-CB 3.3Å; I423-S426 PolarHBondContact O-OG 3.5Å; S426-S428 PolarHBondContact O-N 3.4Å; S426-I429 WeakPolarHBondContact O-CB 3.41Å; S426-I429 PolarHBondContact O-N 3.01Å; S426-A430 PolarHBondContact O-N 2.99Å; S426-L535 WeakPolarHBondContact OG-CD1 3.32Å
427Y83.4Confident74.8Confident37 Ų3748 Ų4815%0.14526%0.262CS..Hα-helixtrans-61.6-32.6175.278.2-86.8000112.8F424 H425 I429 A430 L431 T462 R463F424-Y427 WeakPolarHBondContact O-CD1 3.42Å; H425-Y427 PolarHBondContact O-N 3.29Å; Y427-I429 VanDerWaalsContact C-N 3.34Å; Y427-A430 PolarHBondContact O-N 3.18Å; Y427-L431 HydrophobicContact CD2-CD1 4.21Å; Y427-L431 HydrophobicContact CE2-CD1 4.44Å; Y427-L431 WeakPolarHBondContact O-CG 3.18Å; Y427-L431 PolarHBondContact O-N 3.32Å; Y427-T462 VanDerWaalsContact CE2-OG1 3.29Å; Y427-T462 WeakPolarHBondContact CE2-OG1 3.18Å; Y427-T462 PolarHBondContact OH-OG1 3.42Å; Y427-R463 HydrophobicContact CD1-CB 3.87Å; Y427-R463 HydrophobicContact CD1-CG 3.78Å; Y427-R463 HydrophobicContact CD2-CB 4.23Å; Y427-R463 HydrophobicContact CE1-CB 3.85Å; Y427-R463 HydrophobicContact CE1-CG 4.16Å; Y427-R463 HydrophobicContact CE2-CB 4.23Å; Y427-R463 HydrophobicContact CG-CB 4.07Å; Y427-R463 HydrophobicContact CG-CG 4.12Å
428S77.4Confident75.9Confident33 Ų3345.3 Ų45.323%0.23124%0.24CC..Hα-helixtrans-67.3-36.4176.765.10000111.8H425 S426 A430 L431 T432H425-S428 WeakPolarHBondContact O-CB 3.38Å; H425-S428 PolarHBondContact O-N 3.5Å; H425-S428 PolarHBondContact O-OG 3.42Å; S426-S428 PolarHBondContact O-N 3.4Å; S428-A430 VanDerWaalsContact C-N 3.31Å; S428-A430 PolarHBondContact O-N 3.47Å; S428-L431 PolarHBondContact O-N 2.87Å; S428-T432 PolarHBondContact O-N 3.41Å; S428-T432 PolarHBondContact O-OG1 2.65Å; S428-T432 VanDerWaalsContact O-OG1 3.13Å
429I82.3Confident76.6Confident83 Ų8342.6 Ų42.643%0.42622%0.222SC..Hα-helixtrans-63.8-38175.4-57.6173.7000110.6S426 Y427 T432 A433 P528S426-I429 WeakPolarHBondContact O-CB 3.41Å; S426-I429 PolarHBondContact O-N 3.01Å; Y427-I429 VanDerWaalsContact C-N 3.34Å; I429-T432 WeakPolarHBondContact CA-OG1 3.48Å; I429-T432 PolarHBondContact O-OG1 3.06Å; I429-A433 VanDerWaalsContact O-CB 3.28Å; I429-A433 WeakPolarHBondContact O-CB 3.36Å; I429-A433 PolarHBondContact O-N 2.92Å; I429-P528 HydrophobicContact CG2-CB 4.25Å; I429-P528 HydrophobicContact CG2-CG 4.24Å
430A81.6Confident77.2Confident2 Ų243.3 Ų43.32%0.01723%0.227CC..Hα-helixtrans-68.8-40.1174.300000112.6S426 Y427 S428 A433 M434 P528 L532S426-A430 PolarHBondContact O-N 2.99Å; Y427-A430 PolarHBondContact O-N 3.18Å; S428-A430 VanDerWaalsContact C-N 3.31Å; S428-A430 PolarHBondContact O-N 3.47Å; A430-A433 PolarHBondContact O-N 3.31Å; A430-M434 WeakPolarHBondContact O-CG 3.46Å; A430-M434 PolarHBondContact O-N 3.14Å; A430-M434 VanDerWaalsContact O-N 3.11Å; A430-P528 HydrophobicContact CB-CB 4.36Å; A430-L532 HydrophobicContact CB-CB 4.4Å; A430-L532 HydrophobicContact CB-CD1 4.07Å; A430-L532 HydrophobicContact CB-CD2 4.21Å; A430-L532 HydrophobicContact CB-CG 4.48Å
431L84.4Confident77.7Confident4 Ų444.2 Ų44.22%0.02123%0.227CC..Hα-helixtrans-63.1-42.6173.5-66.2178.3000111.8Y427 S428 M434 M435 T453 L456Y427-L431 HydrophobicContact CD2-CD1 4.21Å; Y427-L431 HydrophobicContact CE2-CD1 4.44Å; Y427-L431 WeakPolarHBondContact O-CG 3.18Å; Y427-L431 PolarHBondContact O-N 3.32Å; S428-L431 PolarHBondContact O-N 2.87Å; L431-M434 HydrophobicContact CD2-CE 3.62Å; L431-M434 PolarHBondContact O-N 3.02Å; L431-M435 PolarHBondContact O-N 3.34Å; L431-M435 VanDerWaalsContact O-N 3.08Å; L431-T453 HydrophobicContact CB-CG2 4.38Å; L431-L456 HydrophobicContact CD2-CB 4.14Å; L431-L456 HydrophobicContact CD2-CD1 3.67Å
432T79.8Confident78.2Confident71 Ų7140.7 Ų40.744%0.43621%0.213SC..Hα-helixtrans-68.2-34.9175.551.90000112.3S428 I429 M434 M435 T436S428-T432 PolarHBondContact O-N 3.41Å; S428-T432 PolarHBondContact O-OG1 2.65Å; S428-T432 VanDerWaalsContact O-OG1 3.13Å; I429-T432 WeakPolarHBondContact CA-OG1 3.48Å; I429-T432 PolarHBondContact O-OG1 3.06Å; T432-M434 VanDerWaalsContact C-N 3.33Å; T432-M434 PolarHBondContact O-N 2.76Å; T432-M435 WeakPolarHBondContact O-CB 3.44Å; T432-M435 PolarHBondContact O-N 2.99Å; T432-T436 WeakPolarHBondContact O-CG2 3.49Å; T432-T436 PolarHBondContact O-N 3.41Å; T432-T436 PolarHBondContact O-OG1 3.05Å; T432-T436 VanDerWaalsContact O-OG1 3.04Å
433A82.7Confident78.9Confident10 Ų1037.9 Ų37.98%0.08320%0.196CC..Hα-helixtrans-63-38.3175.400000112.2I429 A430 T436 W437 P528I429-A433 VanDerWaalsContact O-CB 3.28Å; I429-A433 WeakPolarHBondContact O-CB 3.36Å; I429-A433 PolarHBondContact O-N 2.92Å; A430-A433 PolarHBondContact O-N 3.31Å; A433-T436 VanDerWaalsContact CA-OG1 3.3Å; A433-T436 WeakPolarHBondContact CA-OG1 3.49Å; A433-T436 PolarHBondContact O-OG1 3.19Å; A433-W437 WeakPolarHBondContact O-CB 3.26Å; A433-W437 PolarHBondContact O-N 3.01Å; A433-P528 HydrophobicContact CB-CG 4.33Å
434M85.9Confident79.5Confident5 Ų537.9 Ų37.93%0.02520%0.196CC..Hα-helixtrans-68.6-41.2173.3-68.3-172.3-59.600112.5A430 L431 T432 W437 A438 L449 L456 I473A430-M434 WeakPolarHBondContact O-CG 3.46Å; A430-M434 PolarHBondContact O-N 3.14Å; A430-M434 VanDerWaalsContact O-N 3.11Å; L431-M434 HydrophobicContact CD2-CE 3.62Å; L431-M434 PolarHBondContact O-N 3.02Å; T432-M434 VanDerWaalsContact C-N 3.33Å; T432-M434 PolarHBondContact O-N 2.76Å; M434-W437 PolarHBondContact O-N 3.39Å; M434-A438 PolarHBondContact O-N 2.83Å; M434-L449 HydrophobicContact CB-CD2 4.46Å; M434-L449 HydrophobicContact CG-CD2 4.3Å; M434-L449 HydrophobicContact SD-CD2 4.11Å; M434-L456 HydrophobicContact CE-CD1 4.49Å; M434-I473 HydrophobicContact CE-CD1 4.28Å; M434-I473 HydrophobicContact SD-CD1 4.14Å; M434-I473 HydrophobicContact SD-CG1 4.42Å; M434-I473 HydrophobicContact SD-CG2 3.57Å; M434-I473 VanDerWaalsContact SD-CG2 3.57Å
435M81.7Confident79.9Confident34 Ų3437.1 Ų37.117%0.16719%0.193CC..Hα-helixtrans-58.8-46.6172.3-179.766.669.600111.3L431 T432 A438 L439 L450 T453L431-M435 PolarHBondContact O-N 3.34Å; L431-M435 VanDerWaalsContact O-N 3.08Å; T432-M435 WeakPolarHBondContact O-CB 3.44Å; T432-M435 PolarHBondContact O-N 2.99Å; M435-A438 PolarHBondContact O-N 2.66Å; M435-L439 HydrophobicContact CG-CD1 4.21Å; M435-L439 WeakPolarHBondContact O-CG 3.34Å; M435-L439 PolarHBondContact O-N 2.82Å; M435-L439 VanDerWaalsContact O-N 3.1Å; M435-L439 HydrophobicContact SD-CD1 4.4Å; M435-L450 HydrophobicContact CE-CD1 3.81Å; M435-L450 HydrophobicContact SD-CD1 3.32Å; M435-L450 WeakPolarHBondContact SD-CD1 3.35Å; M435-T453 HydrophobicContact CB-CG2 4.34Å; M435-T453 HydrophobicContact CE-CG2 3.74Å
436T80.2Confident80.2Confident51 Ų5134.2 Ų34.231%0.31318%0.179SC..Hα-helixtrans-68-34177.751.10000112.5T432 A433 L439 L440T432-T436 WeakPolarHBondContact O-CG2 3.49Å; T432-T436 PolarHBondContact O-N 3.41Å; T432-T436 PolarHBondContact O-OG1 3.05Å; T432-T436 VanDerWaalsContact O-OG1 3.04Å; A433-T436 VanDerWaalsContact CA-OG1 3.3Å; A433-T436 WeakPolarHBondContact CA-OG1 3.49Å; A433-T436 PolarHBondContact O-OG1 3.19Å; T436-L439 PolarHBondContact O-N 2.88Å; T436-L440 VanDerWaalsContact O-CB 3.29Å; T436-L440 WeakPolarHBondContact O-CB 3.43Å; T436-L440 WeakPolarHBondContact O-CD1 3.4Å; T436-L440 WeakPolarHBondContact O-CG 3.46Å; T436-L440 PolarHBondContact O-N 3.13Å
437W85.7Confident80.5Confident12 Ų1235.4 Ų35.45%0.04519%0.185CC..Hα-helixtrans-61.2-46.4172.6-172.4-59.4000110.9A433 M434 L439 L440 Y441 L449 I477 L480 Q522 L525 T526A433-W437 WeakPolarHBondContact O-CB 3.26Å; A433-W437 PolarHBondContact O-N 3.01Å; M434-W437 PolarHBondContact O-N 3.39Å; W437-L439 VanDerWaalsContact C-N 3.3Å; W437-L439 PolarHBondContact O-N 3.23Å; W437-L440 PolarHBondContact O-N 3.36Å; W437-Y441 HydrophobicContact CG-CD2 4.39Å; W437-Y441 PolarHBondContact O-N 3.27Å; W437-L449 HydrophobicContact CB-CD1 4.2Å; W437-L449 HydrophobicContact CG-CD1 3.9Å; W437-I477 HydrophobicContact CZ3-CG2 4.47Å; W437-L480 HydrophobicContact CZ2-CB 4.29Å; W437-L480 HydrophobicContact CZ2-CD1 4.39Å; W437-Q522 HydrophobicContact CH2-CB 3.63Å; W437-Q522 HydrophobicContact CH2-CG 3.64Å; W437-Q522 HydrophobicContact CZ2-CB 4.37Å; W437-Q522 HydrophobicContact CZ2-CG 3.88Å; W437-Q522 HydrophobicContact CZ3-CB 3.9Å; W437-Q522 HydrophobicContact CZ3-CG 4.09Å; W437-L525 HydrophobicContact CE3-CB 3.8Å; W437-L525 HydrophobicContact CE3-CD1 4.14Å; W437-L525 HydrophobicContact CZ3-CB 4.16Å; W437-T526 HydrophobicContact CH2-CG2 4.27Å; W437-T526 HydrophobicContact CZ3-CG2 3.77Å
438A80.8Confident80.7Confident0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-63-34.1178.900000113.5M434 M435 G446 L449 L450 Y663M434-A438 PolarHBondContact O-N 2.83Å; M435-A438 PolarHBondContact O-N 2.66Å; A438-G446 WeakPolarHBondContact CB-O 3.28Å; A438-L449 HydrophobicContact CB-CB 4.23Å; A438-L450 HydrophobicContact CB-CB 3.96Å; A438-Y663 PolarHBondContact O-OH 3.48Å
439L76.5Confident81.1Confident36 Ų3636.2 Ų36.219%0.18819%0.188CC..Hα-helixtrans-80.4-34.4177.9-67.3171.2000113.2M435 T436 W437 F703 L706 I710M435-L439 HydrophobicContact CG-CD1 4.21Å; M435-L439 WeakPolarHBondContact O-CG 3.34Å; M435-L439 PolarHBondContact O-N 2.82Å; M435-L439 VanDerWaalsContact O-N 3.1Å; M435-L439 HydrophobicContact SD-CD1 4.4Å; T436-L439 PolarHBondContact O-N 2.88Å; W437-L439 VanDerWaalsContact C-N 3.3Å; W437-L439 PolarHBondContact O-N 3.23Å; L439-F703 HydrophobicContact CB-CD2 4.43Å; L439-F703 HydrophobicContact CD1-CD2 4.36Å; L439-F703 HydrophobicContact CD1-CE2 4.18Å; L439-L706 HydrophobicContact CD2-CD1 4.45Å; L439-I710 HydrophobicContact CD1-CD1 4.42Å
440L75.2Confident81.1Confident104 Ų10432.6 Ų32.655%0.54517%0.17SC..Hα-helixtrans-78.1-35179.5-72.8168.6000113.1T436 W437 V521 L525T436-L440 VanDerWaalsContact O-CB 3.29Å; T436-L440 WeakPolarHBondContact O-CB 3.43Å; T436-L440 WeakPolarHBondContact O-CD1 3.4Å; T436-L440 WeakPolarHBondContact O-CG 3.46Å; T436-L440 PolarHBondContact O-N 3.13Å; W437-L440 PolarHBondContact O-N 3.36Å; L440-V521 HydrophobicContact CD1-CG1 4.5Å; L440-L525 HydrophobicContact CD1-CD1 4.02Å
441Y74.1Confident81.2Confident49 Ų4936.3 Ų36.319%0.19219%0.188CC..SBendtrans-119.576-175.8-61.2-68.1000110.4W437 S443 I518 V521 Q522W437-Y441 HydrophobicContact CG-CD2 4.39Å; W437-Y441 PolarHBondContact O-N 3.27Å; Y441-S443 PolarHBondContact O-N 3.21Å; Y441-S443 PolarHBondContact O-OG 2.9Å; Y441-S443 VanDerWaalsContact O-OG 3.06Å; Y441-I518 HydrophobicContact CE1-CG1 4.43Å; Y441-I518 HydrophobicContact CE1-CG2 4.03Å; Y441-V521 HydrophobicContact CE2-CG1 4.37Å; Y441-V521 WeakPolarHBondContact OH-CG1 3.47Å; Y441-Q522 HydrophobicContact CD2-CG 4.35Å; Y441-Q522 HydrophobicContact CE2-CG 3.63Å
442H75.4Confident81.2Confident55 Ų5538.7 Ų38.726%0.25520%0.201SC..  trans-60108.5-178.1-177.760.4000111.4Y663 F667H442-Y663 AromaticContact CE1-CE1 3.74Å; H442-Y663 AromaticContact CE1-CZ 3.85Å; H442-Y663 AromaticContact ND1-CE1 3.73Å; H442-Y663 AromaticContact ND1-CE2 3.71Å; H442-Y663 AromaticContact ND1-CZ 3.35Å; H442-Y663 VanDerWaalsContact ND1-CZ 3.35Å; H442-Y663 PolarHBondContact ND1-OH 3.05Å; H442-F667 AromaticContact CE1-CE1 3.86Å; H442-F667 AromaticContact CE1-CE2 3.65Å; H442-F667 AromaticContact CE1-CZ 3.56Å; H442-F667 AromaticContact NE2-CD1 3.65Å; H442-F667 AromaticContact NE2-CE1 3.62Å; H442-F667 AromaticContact NE2-CG 3.86Å; H442-F667 AromaticContact NE2-CZ 3.81Å
443S77.9Confident81.3Confident13 Ų1335.3 Ų35.39%0.09118%0.18CC..SBendtrans-159.4166.2-177.257.20000109.8Y441 F445 G446 L447 G505 Y663Y441-S443 PolarHBondContact O-N 3.21Å; Y441-S443 PolarHBondContact O-OG 2.9Å; Y441-S443 VanDerWaalsContact O-OG 3.06Å; S443-F445 PolarHBondContact O-N 3.1Å; S443-G446 PolarHBondContact O-N 2.93Å; S443-G446 VanDerWaalsContact O-N 3.15Å; S443-G446 PolarHBondContact OG-N 2.84Å; S443-L447 PolarHBondContact O-N 3.22Å; S443-G505 WeakPolarHBondContact CB-O 3.39Å; S443-Y663 PolarHBondContact O-OH 3.03Å
444I81.8Confident81.1Confident53 Ų5336.5 Ų36.527%0.27219%0.188SC..Hα-helixtrans-62.2-33.4170.2-66.7-172.7000110.8L447 I448 F503 V504 F667I444-L447 WeakPolarHBondContact O-CB 3.26Å; I444-L447 PolarHBondContact O-N 3.2Å; I444-I448 PolarHBondContact O-N 3.37Å; I444-F503 HydrophobicContact CD1-CD1 4.17Å; I444-F503 HydrophobicContact CD1-CE1 4.19Å; I444-F503 WeakPolarHBondContact CD1-O 3.37Å; I444-V504 PolarHBondContact N-O 2.94Å; I444-F667 HydrophobicContact CG1-CE1 4.04Å; I444-F667 HydrophobicContact CG1-CZ 4.06Å
445F81.5Confident80.9Confident58 Ų5840.1 Ų40.125%0.25421%0.206SC..Hα-helixtrans-66.9-35.9174-61.2-62.9000112.2S443 I448 Y476 L480 V504 I506S443-F445 PolarHBondContact O-N 3.1Å; F445-I448 PolarHBondContact O-N 2.91Å; F445-Y476 WeakPolarHBondContact CA-OH 3.39Å; F445-Y476 WeakPolarHBondContact CB-OH 3.46Å; F445-Y476 WeakPolarHBondContact CD1-OH 3.4Å; F445-Y476 PolarHBondContact O-OH 3.32Å; F445-L480 HydrophobicContact CB-CD2 4.2Å; F445-L480 HydrophobicContact CG-CD2 4.26Å; F445-V504 HydrophobicContact CD2-CG1 3.97Å; F445-V504 HydrophobicContact CE2-CG1 3.41Å; F445-V504 VanDerWaalsContact CE2-CG1 3.41Å; F445-V504 HydrophobicContact CZ-CG1 4.14Å; F445-I506 HydrophobicContact CD2-CD1 4Å; F445-I506 HydrophobicContact CE2-CD1 3.62Å
446G79.7Confident81Confident0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-63.8-40.716900000113.3A438 S443 I448 L449 L450A438-G446 WeakPolarHBondContact CB-O 3.28Å; S443-G446 PolarHBondContact O-N 2.93Å; S443-G446 VanDerWaalsContact O-N 3.15Å; S443-G446 PolarHBondContact OG-N 2.84Å; G446-I448 VanDerWaalsContact C-N 3.26Å; G446-I448 PolarHBondContact O-N 2.95Å; G446-L449 WeakPolarHBondContact O-CB 3.35Å; G446-L449 PolarHBondContact O-N 2.84Å; G446-L450 PolarHBondContact O-N 3.48Å
447L83.5Confident80.9Confident34 Ų3439.6 Ų39.618%0.17820%0.197CC..Hα-helixtrans-58.2-37.8177-179.860.4000112.2S443 I444 L449 L450 I451 Y663S443-L447 PolarHBondContact O-N 3.22Å; I444-L447 WeakPolarHBondContact O-CB 3.26Å; I444-L447 PolarHBondContact O-N 3.2Å; L447-L449 PolarHBondContact O-N 3.1Å; L447-L450 HydrophobicContact CD1-CD2 4.42Å; L447-L450 PolarHBondContact O-N 3.45Å; L447-I451 HydrophobicContact CD1-CD1 3.84Å; L447-I451 HydrophobicContact CD1-CG1 4.03Å; L447-I451 HydrophobicContact CD2-CD1 4.44Å; L447-I451 HydrophobicContact CG-CD1 3.8Å; L447-I451 HydrophobicContact CG-CG1 4.37Å; L447-I451 WeakPolarHBondContact O-CB 3.33Å; L447-I451 WeakPolarHBondContact O-CG1 3.5Å; L447-I451 PolarHBondContact O-N 2.81Å; L447-Y663 HydrophobicContact CB-CE1 3.87Å; L447-Y663 HydrophobicContact CD1-CD1 3.79Å; L447-Y663 HydrophobicContact CD1-CE1 3.77Å; L447-Y663 HydrophobicContact CG-CE1 4.32Å; L447-Y663 PolarHBondContact N-OH 3.28Å
448I86.4Confident80.5Confident84 Ų8443.7 Ų43.743%0.43122%0.219SC..Hα-helixtrans-62.6-42.5176-64.6168.8000110.8I444 F445 G446 L452I444-I448 PolarHBondContact O-N 3.37Å; F445-I448 PolarHBondContact O-N 2.91Å; G446-I448 VanDerWaalsContact C-N 3.26Å; G446-I448 PolarHBondContact O-N 2.95Å; I448-L452 WeakPolarHBondContact O-CB 3.48Å; I448-L452 PolarHBondContact O-N 2.79Å
449L85.4Confident80.4Confident3 Ų348.6 Ų48.62%0.01624%0.24CC..Hα-helixtrans-66.4-38.3175.6-66174.9000112.3M434 W437 A438 G446 L447 T453 Y476M434-L449 HydrophobicContact CB-CD2 4.46Å; M434-L449 HydrophobicContact CG-CD2 4.3Å; M434-L449 HydrophobicContact SD-CD2 4.11Å; W437-L449 HydrophobicContact CB-CD1 4.2Å; W437-L449 HydrophobicContact CG-CD1 3.9Å; A438-L449 HydrophobicContact CB-CB 4.23Å; G446-L449 WeakPolarHBondContact O-CB 3.35Å; G446-L449 PolarHBondContact O-N 2.84Å; L447-L449 PolarHBondContact O-N 3.1Å; L449-T453 WeakPolarHBondContact O-CB 3.42Å; L449-T453 PolarHBondContact O-N 2.85Å; L449-T453 PolarHBondContact O-OG1 3.45Å; L449-Y476 HydrophobicContact CD2-CD1 4.2Å; L449-Y476 HydrophobicContact CD2-CE1 3.98Å; L449-Y476 HydrophobicContact CG-CE1 4.17Å
450L83.2Confident80.2Confident7 Ų757.9 Ų57.94%0.03727%0.273CS..Hα-helixtrans-63-53.7176-179.661.4000111.4M435 A438 G446 L447 L452 T453 C454 Y663M435-L450 HydrophobicContact CE-CD1 3.81Å; M435-L450 HydrophobicContact SD-CD1 3.32Å; M435-L450 WeakPolarHBondContact SD-CD1 3.35Å; A438-L450 HydrophobicContact CB-CB 3.96Å; G446-L450 PolarHBondContact O-N 3.48Å; L447-L450 HydrophobicContact CD1-CD2 4.42Å; L447-L450 PolarHBondContact O-N 3.45Å; L450-L452 PolarHBondContact O-N 3.22Å; L450-T453 PolarHBondContact O-N 3.39Å; L450-T453 VanDerWaalsContact O-N 3.16Å; L450-C454 PolarHBondContact O-N 2.98Å; L450-C454 PolarHBondContact O-SG 3.01Å; L450-C454 VanDerWaalsContact O-SG 3.38Å; L450-Y663 HydrophobicContact CD2-CD1 4.23Å; L450-Y663 HydrophobicContact CD2-CD2 3.62Å; L450-Y663 HydrophobicContact CD2-CE2 3.94Å; L450-Y663 HydrophobicContact CD2-CG 3.78Å
451I83.7Confident80.1Confident80 Ų8058.1 Ų58.141%0.4127%0.274SS..Hα-helixtrans-60.6-47.3178.6-69.4171.9000110.6L447 T453 C454 I455L447-I451 HydrophobicContact CD1-CD1 3.84Å; L447-I451 HydrophobicContact CD1-CG1 4.03Å; L447-I451 HydrophobicContact CD2-CD1 4.44Å; L447-I451 HydrophobicContact CG-CD1 3.8Å; L447-I451 HydrophobicContact CG-CG1 4.37Å; L447-I451 WeakPolarHBondContact O-CB 3.33Å; L447-I451 WeakPolarHBondContact O-CG1 3.5Å; L447-I451 PolarHBondContact O-N 2.81Å; I451-T453 PolarHBondContact O-N 3.2Å; I451-C454 PolarHBondContact O-N 3.49Å; I451-I455 HydrophobicContact CG2-CD1 3.66Å; I451-I455 HydrophobicContact CG2-CG1 4.39Å; I451-I455 WeakPolarHBondContact O-CB 3.42Å; I451-I455 WeakPolarHBondContact O-CG1 3.45Å; I451-I455 PolarHBondContact O-N 3.42Å
452L84.6Confident80.4Confident53 Ų5356.9 Ų56.928%0.27727%0.272SS..Hα-helixtrans-58-40.2177-177.763.9000111I448 L450 L456 I473I448-L452 WeakPolarHBondContact O-CB 3.48Å; I448-L452 PolarHBondContact O-N 2.79Å; L450-L452 PolarHBondContact O-N 3.22Å; L452-L456 HydrophobicContact CD1-CD1 4.13Å; L452-L456 HydrophobicContact CD1-CG 4.29Å; L452-L456 HydrophobicContact CG-CD1 3.86Å; L452-L456 HydrophobicContact CG-CG 4.42Å; L452-L456 VanDerWaalsContact O-CB 3.27Å; L452-L456 WeakPolarHBondContact O-CB 3.38Å; L452-L456 WeakPolarHBondContact O-CG 3.4Å; L452-L456 PolarHBondContact O-N 2.65Å; L452-I473 HydrophobicContact CD2-CD1 4.46Å; L452-I473 HydrophobicContact CD2-CG1 4.32Å
453T81.7Confident80.6Confident1 Ų157.2 Ų57.21%0.00627%0.271CS..Hα-helixtrans-68.7-46.4177.6-55.40000111.8L431 M435 L449 L450 I451 I455 L456 W457L431-T453 HydrophobicContact CB-CG2 4.38Å; M435-T453 HydrophobicContact CB-CG2 4.34Å; M435-T453 HydrophobicContact CE-CG2 3.74Å; L449-T453 WeakPolarHBondContact O-CB 3.42Å; L449-T453 PolarHBondContact O-N 2.85Å; L449-T453 PolarHBondContact O-OG1 3.45Å; L450-T453 PolarHBondContact O-N 3.39Å; L450-T453 VanDerWaalsContact O-N 3.16Å; I451-T453 PolarHBondContact O-N 3.2Å; T453-I455 VanDerWaalsContact C-N 3.33Å; T453-I455 PolarHBondContact O-N 3.18Å; T453-L456 PolarHBondContact O-N 2.84Å; T453-W457 VanDerWaalsContact O-CD1 3.28Å; T453-W457 PolarHBondContact O-N 3.38Å
454C78.4Confident80.8Confident35 Ų3564.3 Ų64.324%0.23630%0.3CS..Hα-helixtrans-57.2-44.3175.6-68.40000112.1L450 I451 W457 I458L450-C454 PolarHBondContact O-N 2.98Å; L450-C454 PolarHBondContact O-SG 3.01Å; L450-C454 VanDerWaalsContact O-SG 3.38Å; I451-C454 PolarHBondContact O-N 3.49Å; C454-W457 PolarHBondContact O-N 3Å; C454-I458 WeakPolarHBondContact O-CG1 3.12Å; C454-I458 PolarHBondContact O-N 2.83Å; C454-I458 VanDerWaalsContact O-N 3.15Å
455I81.8Confident80.9Confident80 Ų8063.2 Ų63.241%0.4130%0.297SS..Hα-helixtrans-64.7-46.5176-67.7170.7000111.1I451 T453 W457 I458 F459I451-I455 HydrophobicContact CG2-CD1 3.66Å; I451-I455 HydrophobicContact CG2-CG1 4.39Å; I451-I455 WeakPolarHBondContact O-CB 3.42Å; I451-I455 WeakPolarHBondContact O-CG1 3.45Å; I451-I455 PolarHBondContact O-N 3.42Å; T453-I455 VanDerWaalsContact C-N 3.33Å; T453-I455 PolarHBondContact O-N 3.18Å; I455-W457 PolarHBondContact O-N 3.04Å; I455-I458 PolarHBondContact O-N 2.91Å; I455-I458 VanDerWaalsContact O-N 3.1Å; I455-F459 HydrophobicContact CG2-CD2 4.42Å; I455-F459 HydrophobicContact CG2-CE2 3.65Å; I455-F459 HydrophobicContact CG2-CZ 4.07Å; I455-F459 WeakPolarHBondContact O-CD2 3.25Å; I455-F459 PolarHBondContact O-N 3.33Å
456L82.5Confident81Confident4 Ų460.5 Ų60.52%0.02129%0.286CS..Hα-helixtrans-61.3-29.8178-75.1172000112.7L431 M434 L452 T453 T462 S465L431-L456 HydrophobicContact CD2-CB 4.14Å; L431-L456 HydrophobicContact CD2-CD1 3.67Å; M434-L456 HydrophobicContact CE-CD1 4.49Å; L452-L456 HydrophobicContact CD1-CD1 4.13Å; L452-L456 HydrophobicContact CD1-CG 4.29Å; L452-L456 HydrophobicContact CG-CD1 3.86Å; L452-L456 HydrophobicContact CG-CG 4.42Å; L452-L456 VanDerWaalsContact O-CB 3.27Å; L452-L456 WeakPolarHBondContact O-CB 3.38Å; L452-L456 WeakPolarHBondContact O-CG 3.4Å; L452-L456 PolarHBondContact O-N 2.65Å; T453-L456 PolarHBondContact O-N 2.84Å; L456-T462 WeakPolarHBondContact O-CG2 3.45Å; L456-S465 VanDerWaalsContact CD2-OG 3.3Å; L456-S465 WeakPolarHBondContact CD2-OG 3.42Å
457W79.1Confident81.3Confident70 Ų7062.1 Ų62.127%0.26529%0.293SS..Hα-helixtrans-78.2-26.9174.1-88.584.8000114.2T453 C454 I455 K721T453-W457 VanDerWaalsContact O-CD1 3.28Å; T453-W457 PolarHBondContact O-N 3.38Å; C454-W457 PolarHBondContact O-N 3Å; I455-W457 PolarHBondContact O-N 3.04Å; W457-K721 PolarHBondContact O-NZ 3.19Å
458I77.4Confident81.3Confident99 Ų9963.6 Ų63.651%0.50831%0.31SS..Hα-helixtrans-70.2-35.1177.2-71.6163.7000111.2C454 I455 M717C454-I458 WeakPolarHBondContact O-CG1 3.12Å; C454-I458 PolarHBondContact O-N 2.83Å; C454-I458 VanDerWaalsContact O-N 3.15Å; I455-I458 PolarHBondContact O-N 2.91Å; I455-I458 VanDerWaalsContact O-N 3.1Å; I458-M717 HydrophobicContact CG1-CE 4.18Å
459F78.6Confident81.3Confident103 Ų10363.4 Ų63.445%0.45231%0.308SS..SBendtrans-58.5150.2-179-71.1-55.3000114.7I455 K721I455-F459 HydrophobicContact CG2-CD2 4.42Å; I455-F459 HydrophobicContact CG2-CE2 3.65Å; I455-F459 HydrophobicContact CG2-CZ 4.07Å; I455-F459 WeakPolarHBondContact O-CD2 3.25Å; I455-F459 PolarHBondContact O-N 3.33Å; F459-K721 PolarHBondContact O-NZ 3.28Å
460R71.8Confident81.3Confident231 Ų23163.3 Ų63.387%0.87231%0.308SS*.SBendtrans-67.4-42.6179.1-178.1171.3163.7164.7-4.9112.9
461D74Confident81.4Confident108 Ų10865.3 Ų65.358%0.57832%0.321SS*.  trans-11374-178-74-14.5000112.4R463 K464 S465D461-R463 PolarHBondContact O-N 3.03Å; D461-K464 HydrophobicContact CB-CB 4.5Å; D461-K464 PolarHBondContact O-N 3.36Å; D461-S465 PolarHBondContact O-N 3.29Å
462T79.2Confident81.6Confident24 Ų2466.3 Ų66.315%0.14733%0.327CS..Hα-helixtrans-55.1-50.1-173.956.90000114Y427 L456 K464 S465 S466Y427-T462 VanDerWaalsContact CE2-OG1 3.29Å; Y427-T462 WeakPolarHBondContact CE2-OG1 3.18Å; Y427-T462 PolarHBondContact OH-OG1 3.42Å; L456-T462 WeakPolarHBondContact O-CG2 3.45Å; T462-K464 PolarHBondContact O-N 2.96Å; T462-S465 PolarHBondContact O-N 3Å; T462-S466 PolarHBondContact O-N 3.28Å; T462-S466 PolarHBondContact O-OG 3.31Å
463R81Confident81.6Confident61 Ų6164.2 Ų64.223%0.2332%0.315CS..Hα-helixtrans-57.2-42.6-177.3-178.5176.4172-121.8-5.9113.2Y427 D461 S466 F467 E539Y427-R463 HydrophobicContact CD1-CB 3.87Å; Y427-R463 HydrophobicContact CD1-CG 3.78Å; Y427-R463 HydrophobicContact CD2-CB 4.23Å; Y427-R463 HydrophobicContact CE1-CB 3.85Å; Y427-R463 HydrophobicContact CE1-CG 4.16Å; Y427-R463 HydrophobicContact CE2-CB 4.23Å; Y427-R463 HydrophobicContact CG-CB 4.07Å; Y427-R463 HydrophobicContact CG-CG 4.12Å; D461-R463 PolarHBondContact O-N 3.03Å; R463-S466 WeakPolarHBondContact CA-OG 3.44Å; R463-S466 PolarHBondContact O-N 3.39Å; R463-S466 PolarHBondContact O-OG 3.02Å; R463-F467 HydrophobicContact CG-CD2 4.18Å; R463-F467 HydrophobicContact CG-CE2 3.76Å; R463-F467 HydrophobicContact CG-CZ 3.97Å; R463-F467 VanDerWaalsContact NE-CE2 3.3Å; R463-F467 WeakPolarHBondContact O-CG 3.42Å; R463-F467 PolarHBondContact O-N 3.12Å; R463-F467 VanDerWaalsContact O-N 3.12Å; R463-E539 IonicContact CZ-OE1 2.59Å; R463-E539 IonicContact CZ-OE2 3.79Å; R463-E539 IonicContact NH1-OE1 3.66Å; R463-E539 IonicContact NH2-OE1 3.85Å; R463-E539 PolarHBondContact NH2-OE1 3.37Å; R463-E539 IonicContact NH2-OE2 2.67Å; R463-E539 PolarHBondContact NH2-OE2 3.46Å
464K81.4Confident81.9Confident162 Ų16264.3 Ų64.370%0.70432%0.316SS*.Hα-helixtrans-66.4-41.6-178.7-173.7-179.9177.4-174.70110.9D461 T462 A468D461-K464 HydrophobicContact CB-CB 4.5Å; D461-K464 PolarHBondContact O-N 3.36Å; T462-K464 PolarHBondContact O-N 2.96Å; K464-A468 PolarHBondContact O-N 2.98Å
465S83.7Confident82.3Confident30 Ų3068.7 Ų68.721%0.2133%0.334CS..Hα-helixtrans-65.7-44.4176.7-159.40000111.8L456 D461 T462 F467 A468 M469L456-S465 VanDerWaalsContact CD2-OG 3.3Å; L456-S465 WeakPolarHBondContact CD2-OG 3.42Å; D461-S465 PolarHBondContact O-N 3.29Å; T462-S465 PolarHBondContact O-N 3Å; S465-F467 PolarHBondContact O-N 3.25Å; S465-A468 PolarHBondContact O-N 3.29Å; S465-M469 PolarHBondContact O-N 3.45Å
466S84.2Confident82.7Confident2 Ų267.5 Ų67.51%0.01433%0.325CS..Hα-helixtrans-62.2-38.9177.858.40000113.6T462 R463 M469 A470T462-S466 PolarHBondContact O-N 3.28Å; T462-S466 PolarHBondContact O-OG 3.31Å; R463-S466 WeakPolarHBondContact CA-OG 3.44Å; R463-S466 PolarHBondContact O-N 3.39Å; R463-S466 PolarHBondContact O-OG 3.02Å; S466-M469 PolarHBondContact O-N 2.96Å; S466-A470 PolarHBondContact O-N 3.48Å
467F85.7Confident82.9Confident33 Ų3367.6 Ų67.615%0.14533%0.326CS..Hα-helixtrans-73.6-28.2178-70.1-15.1000113.6R463 S465 L532 A536 E539R463-F467 HydrophobicContact CG-CD2 4.18Å; R463-F467 HydrophobicContact CG-CE2 3.76Å; R463-F467 HydrophobicContact CG-CZ 3.97Å; R463-F467 VanDerWaalsContact NE-CE2 3.3Å; R463-F467 WeakPolarHBondContact O-CG 3.42Å; R463-F467 PolarHBondContact O-N 3.12Å; R463-F467 VanDerWaalsContact O-N 3.12Å; S465-F467 PolarHBondContact O-N 3.25Å; F467-L532 HydrophobicContact CD1-CD1 3.78Å; F467-L532 HydrophobicContact CD1-CG 4.24Å; F467-L532 HydrophobicContact CE1-CD1 3.67Å; F467-L532 HydrophobicContact CE1-CG 4.46Å; F467-A536 HydrophobicContact CB-CB 4.14Å; F467-A536 HydrophobicContact CD1-CB 4.41Å; F467-A536 HydrophobicContact CG-CB 4.27Å; F467-E539 WeakPolarHBondContact CE2-OE2 3.5Å
468A84.3Confident83.3Confident66 Ų6666 Ų6655%0.54532%0.321SS..Hα-helixtrans-67.9-39.6173.400000111.5K464 S465K464-A468 PolarHBondContact O-N 2.98Å; S465-A468 PolarHBondContact O-N 3.29Å
469M86.7Confident83.9Confident80 Ų8066.6 Ų66.639%0.39432%0.32SS..Hα-helixtrans-85.8-14.7-179.1-64.7-62.4159.600114.4S465 S466 P471 I472 I473S465-M469 PolarHBondContact O-N 3.45Å; S466-M469 PolarHBondContact O-N 2.96Å; M469-P471 VanDerWaalsContact C-CD 3.46Å; M469-I472 WeakPolarHBondContact O-CB 3.42Å; M469-I472 PolarHBondContact O-N 3.1Å; M469-I472 HydrophobicContact SD-CD1 3.98Å; M469-I473 HydrophobicContact CB-CD1 3.76Å; M469-I473 HydrophobicContact CB-CG1 4.23Å; M469-I473 WeakPolarHBondContact O-CG1 3.42Å; M469-I473 PolarHBondContact O-N 3.4Å
470A84.8Confident84.3Confident0 Ų062.5 Ų62.50%030%0.303CS..Hα-helixtrans-44.3-46.4-177.800000116.6S466 L474 L532S466-A470 PolarHBondContact O-N 3.48Å; A470-L474 PolarHBondContact O-N 2.92Å; A470-L532 HydrophobicContact CB-CD2 3.71Å; A470-L532 HydrophobicContact CB-CG 3.94Å
471P84.3Confident85Confident50 Ų5051.5 Ų51.533%0.32526%0.261SS..Hα-helixtrans-69.7-32.4178.727.3-34.7000113.3M469 M475 L533M469-P471 VanDerWaalsContact C-CD 3.46Å; P471-M475 WeakPolarHBondContact O-CG 3.44Å; P471-M475 PolarHBondContact O-N 3.36Å; P471-M475 VanDerWaalsContact O-N 3.13Å; P471-L533 HydrophobicContact CB-CD1 4.05Å
472I87.8Confident85.6Confident101 Ų10149.6 Ų49.652%0.51825%0.251SS..Hα-helixtrans-70.7-45.3177.5-60.8169.3000109.3M469 L474 M475 Y476M469-I472 WeakPolarHBondContact O-CB 3.42Å; M469-I472 PolarHBondContact O-N 3.1Å; M469-I472 HydrophobicContact SD-CD1 3.98Å; I472-L474 VanDerWaalsContact C-N 3.32Å; I472-L474 PolarHBondContact O-N 3.22Å; I472-M475 PolarHBondContact O-N 3.38Å; I472-Y476 WeakPolarHBondContact O-CB 3.31Å; I472-Y476 PolarHBondContact O-N 3.31Å
473I86.1Confident85.9Confident8 Ų851 Ų514%0.04126%0.257CS..Hα-helixtrans-58.9-43.5175.8-65.2166.9000110.6M434 L452 M469 Y476 I477 V529M434-I473 HydrophobicContact CE-CD1 4.28Å; M434-I473 HydrophobicContact SD-CD1 4.14Å; M434-I473 HydrophobicContact SD-CG1 4.42Å; M434-I473 HydrophobicContact SD-CG2 3.57Å; M434-I473 VanDerWaalsContact SD-CG2 3.57Å; L452-I473 HydrophobicContact CD2-CD1 4.46Å; L452-I473 HydrophobicContact CD2-CG1 4.32Å; M469-I473 HydrophobicContact CB-CD1 3.76Å; M469-I473 HydrophobicContact CB-CG1 4.23Å; M469-I473 WeakPolarHBondContact O-CG1 3.42Å; M469-I473 PolarHBondContact O-N 3.4Å; I473-Y476 PolarHBondContact O-N 3.08Å; I473-I477 HydrophobicContact CG2-CD1 3.81Å; I473-I477 WeakPolarHBondContact O-CB 3.5Å; I473-I477 WeakPolarHBondContact O-CG1 3.23Å; I473-I477 PolarHBondContact O-N 3.14Å; I473-V529 HydrophobicContact CG2-CG1 3.85Å
474L86.9Confident86.1Confident4 Ų449.6 Ų49.62%0.02125%0.253CS..Hα-helixtrans-65.8-45.7178.7-172.866.8000112.3A470 I472 Y476 I477 E478 V529 F530 L533A470-L474 PolarHBondContact O-N 2.92Å; I472-L474 VanDerWaalsContact C-N 3.32Å; I472-L474 PolarHBondContact O-N 3.22Å; L474-Y476 VanDerWaalsContact C-N 3.3Å; L474-Y476 PolarHBondContact O-N 3.41Å; L474-I477 PolarHBondContact O-N 3.01Å; L474-E478 HydrophobicContact CD1-CG 4.41Å; L474-E478 HydrophobicContact CG-CG 4.29Å; L474-E478 WeakPolarHBondContact O-CB 3.3Å; L474-E478 WeakPolarHBondContact O-CG 3.33Å; L474-E478 PolarHBondContact O-N 2.92Å; L474-V529 HydrophobicContact CB-CG1 4.19Å; L474-V529 HydrophobicContact CD1-CB 4.4Å; L474-V529 HydrophobicContact CD1-CG1 3.94Å; L474-F530 HydrophobicContact CD1-CD1 3.75Å; L474-F530 HydrophobicContact CD1-CD2 4.38Å; L474-F530 HydrophobicContact CD1-CE1 3.77Å; L474-F530 HydrophobicContact CD1-CE2 4.38Å; L474-F530 HydrophobicContact CD1-CG 4.07Å; L474-F530 HydrophobicContact CD1-CZ 4.09Å; L474-F530 HydrophobicContact CD2-CD1 3.9Å; L474-F530 HydrophobicContact CD2-CE1 4.05Å; L474-F530 HydrophobicContact CG-CD1 4.46Å; L474-F530 HydrophobicContact CG-CE1 4.38Å; L474-L533 HydrophobicContact CD2-CB 4.32Å; L474-L533 HydrophobicContact CD2-CD2 3.43Å; L474-L533 VanDerWaalsContact CD2-CD2 3.43Å
475M87.3Confident86.4Confident126 Ų12642.3 Ų42.362%0.62122%0.221SC*.Hα-helixtrans-62.1-38.5177.7-70.4-167.5-48.500112.3P471 I472 I477 F479P471-M475 WeakPolarHBondContact O-CG 3.44Å; P471-M475 PolarHBondContact O-N 3.36Å; P471-M475 VanDerWaalsContact O-N 3.13Å; I472-M475 PolarHBondContact O-N 3.38Å; M475-I477 VanDerWaalsContact C-N 3.35Å; M475-F479 WeakPolarHBondContact O-CB 3.42Å; M475-F479 PolarHBondContact O-N 2.87Å
476Y89.6Confident86.4Confident56 Ų5646.8 Ų46.822%0.2224%0.237CC..Hα-helixtrans-62.8-41.9175.3-178.4-110.4000111.8F445 L449 I472 I473 L474 F479 L480F445-Y476 WeakPolarHBondContact CA-OH 3.39Å; F445-Y476 WeakPolarHBondContact CB-OH 3.46Å; F445-Y476 WeakPolarHBondContact CD1-OH 3.4Å; F445-Y476 PolarHBondContact O-OH 3.32Å; L449-Y476 HydrophobicContact CD2-CD1 4.2Å; L449-Y476 HydrophobicContact CD2-CE1 3.98Å; L449-Y476 HydrophobicContact CG-CE1 4.17Å; I472-Y476 WeakPolarHBondContact O-CB 3.31Å; I472-Y476 PolarHBondContact O-N 3.31Å; I473-Y476 PolarHBondContact O-N 3.08Å; L474-Y476 VanDerWaalsContact C-N 3.3Å; L474-Y476 PolarHBondContact O-N 3.41Å; Y476-F479 WeakPolarHBondContact O-CB 3.41Å; Y476-F479 PolarHBondContact O-N 3.11Å; Y476-L480 HydrophobicContact CD1-CD1 4.08Å; Y476-L480 HydrophobicContact CE1-CD1 3.65Å; Y476-L480 HydrophobicContact CE1-CG 4.47Å; Y476-L480 WeakPolarHBondContact O-CG 3.37Å; Y476-L480 PolarHBondContact O-N 3.05Å
477I87.6Confident86.2Confident6 Ų647.7 Ų47.73%0.03124%0.241CC..Hα-helixtrans-73.6-36.8178.8-73.7174.9000112.3W437 I473 L474 M475 F479 L480 L481 T526 V529W437-I477 HydrophobicContact CZ3-CG2 4.47Å; I473-I477 HydrophobicContact CG2-CD1 3.81Å; I473-I477 WeakPolarHBondContact O-CB 3.5Å; I473-I477 WeakPolarHBondContact O-CG1 3.23Å; I473-I477 PolarHBondContact O-N 3.14Å; L474-I477 PolarHBondContact O-N 3.01Å; M475-I477 VanDerWaalsContact C-N 3.35Å; I477-F479 VanDerWaalsContact C-N 3.33Å; I477-L480 PolarHBondContact O-N 2.98Å; I477-L481 PolarHBondContact O-N 3.36Å; I477-T526 HydrophobicContact CG2-CG2 3.22Å; I477-V529 HydrophobicContact CD1-CG1 4.26Å; I477-V529 HydrophobicContact CD1-CG2 3.9Å
478E87.3Confident86Confident35 Ų3546.5 Ų46.516%0.16424%0.237CC..Hα-helixtrans-62.3-40171-75.5178.3168.200111.1T221 L474 L481 I482 F530T221-E478 WeakPolarHBondContact CG2-OE1 3.37Å; T221-E478 PolarHBondContact OG1-OE1 3.18Å; L474-E478 HydrophobicContact CD1-CG 4.41Å; L474-E478 HydrophobicContact CG-CG 4.29Å; L474-E478 WeakPolarHBondContact O-CB 3.3Å; L474-E478 WeakPolarHBondContact O-CG 3.33Å; L474-E478 PolarHBondContact O-N 2.92Å; E478-L481 PolarHBondContact O-N 3.38Å; E478-I482 VanDerWaalsContact O-CG1 3.32Å; E478-I482 WeakPolarHBondContact O-CG1 3.48Å; E478-I482 PolarHBondContact O-N 3.48Å; E478-F530 HydrophobicContact CG-CZ 4.46Å; E478-F530 WeakPolarHBondContact OE1-CE1 3Å
479F88.9Confident85.8Confident112 Ų11244.2 Ų44.249%0.49122%0.215SC..Hα-helixtrans-61.7-46.8172.7169.9-98.8000112.3M475 Y476 I477 L481 I482 L483M475-F479 WeakPolarHBondContact O-CB 3.42Å; M475-F479 PolarHBondContact O-N 2.87Å; Y476-F479 WeakPolarHBondContact O-CB 3.41Å; Y476-F479 PolarHBondContact O-N 3.11Å; I477-F479 VanDerWaalsContact C-N 3.33Å; F479-L481 PolarHBondContact O-N 3.14Å; F479-I482 PolarHBondContact O-N 3.03Å; F479-L483 HydrophobicContact CE1-CD2 4.29Å; F479-L483 HydrophobicContact CZ-CD2 4.43Å; F479-L483 WeakPolarHBondContact O-CB 3.34Å; F479-L483 PolarHBondContact O-N 2.88Å
480L87Confident85.1Confident17 Ų1745.5 Ų45.59%0.08922%0.224CC..Hα-helixtrans-62.1-39.9176.8-69.9176.2000112.5W437 F445 Y476 I477 L483 Q484W437-L480 HydrophobicContact CZ2-CB 4.29Å; W437-L480 HydrophobicContact CZ2-CD1 4.39Å; F445-L480 HydrophobicContact CB-CD2 4.2Å; F445-L480 HydrophobicContact CG-CD2 4.26Å; Y476-L480 HydrophobicContact CD1-CD1 4.08Å; Y476-L480 HydrophobicContact CE1-CD1 3.65Å; Y476-L480 HydrophobicContact CE1-CG 4.47Å; Y476-L480 WeakPolarHBondContact O-CG 3.37Å; Y476-L480 PolarHBondContact O-N 3.05Å; I477-L480 PolarHBondContact O-N 2.98Å; L480-L483 PolarHBondContact O-N 3.44Å; L480-Q484 WeakPolarHBondContact O-CB 3.49Å; L480-Q484 PolarHBondContact O-N 3.23Å
481L86.4Confident84.6Confident0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-62.6-42.3174.7-87.5172.6000112.8L217 I477 E478 F479 Y485 Q522 T523 T526L217-L481 HydrophobicContact CD2-CD1 4.25Å; I477-L481 PolarHBondContact O-N 3.36Å; E478-L481 PolarHBondContact O-N 3.38Å; F479-L481 PolarHBondContact O-N 3.14Å; L481-Y485 WeakPolarHBondContact O-CB 3.45Å; L481-Y485 PolarHBondContact O-N 3.14Å; L481-Q522 HydrophobicContact CD2-CB 3.91Å; L481-T523 HydrophobicContact CD2-CG2 3.81Å; L481-T526 HydrophobicContact CD1-CG2 3.58Å; L481-T526 HydrophobicContact CG-CG2 4.16Å
482I87.1Confident83.9Confident69 Ų6947.9 Ų47.935%0.35423%0.231SC..Hα-helixtrans-67.1-43.9177.4-69165.7000110.1L217 E478 F479 Q484 Y485 F486L217-I482 HydrophobicContact CD1-CG1 4.23Å; E478-I482 VanDerWaalsContact O-CG1 3.32Å; E478-I482 WeakPolarHBondContact O-CG1 3.48Å; E478-I482 PolarHBondContact O-N 3.48Å; F479-I482 PolarHBondContact O-N 3.03Å; I482-Q484 PolarHBondContact O-N 3.01Å; I482-Y485 PolarHBondContact O-N 2.86Å; I482-F486 HydrophobicContact CG2-CD2 3.95Å; I482-F486 HydrophobicContact CG2-CE2 3.96Å; I482-F486 WeakPolarHBondContact O-CD2 3.4Å; I482-F486 PolarHBondContact O-N 2.91Å
483L85.7Confident83Confident53 Ų5347.3 Ų47.328%0.27724%0.241SC..Hα-helixtrans-59.2-46.5176.4-177.262.7000111.3F479 L480 Y485 F486 L487 I506F479-L483 HydrophobicContact CE1-CD2 4.29Å; F479-L483 HydrophobicContact CZ-CD2 4.43Å; F479-L483 WeakPolarHBondContact O-CB 3.34Å; F479-L483 PolarHBondContact O-N 2.88Å; L480-L483 PolarHBondContact O-N 3.44Å; L483-Y485 PolarHBondContact O-N 2.69Å; L483-F486 PolarHBondContact O-N 3.21Å; L483-L487 HydrophobicContact CD1-CD1 4.36Å; L483-L487 HydrophobicContact CG-CD1 3.98Å; L483-L487 WeakPolarHBondContact O-CG 3.22Å; L483-L487 PolarHBondContact O-N 3.46Å; L483-I506 HydrophobicContact CD2-CD1 4.43Å
484Q85.6Confident82.2Confident32 Ų3251.1 Ų51.115%0.1526%0.259CS..Hα-helixtrans-62-40.6175.4-17071.359.200112.3L480 I482 F486 L487 S488 I518 L519 Q522L480-Q484 WeakPolarHBondContact O-CB 3.49Å; L480-Q484 PolarHBondContact O-N 3.23Å; I482-Q484 PolarHBondContact O-N 3.01Å; Q484-F486 VanDerWaalsContact C-N 3.32Å; Q484-F486 PolarHBondContact O-N 3.05Å; Q484-L487 PolarHBondContact O-N 2.62Å; Q484-S488 WeakPolarHBondContact O-CB 3.48Å; Q484-S488 PolarHBondContact O-N 2.96Å; Q484-S488 PolarHBondContact O-OG 2.95Å; Q484-I518 HydrophobicContact CG-CG2 3.92Å; Q484-L519 HydrophobicContact CB-CD2 4.27Å; Q484-L519 HydrophobicContact CG-CD2 3.96Å; Q484-Q522 VanDerWaalsContact OE1-NE2 3.15Å
485Y87.1Confident81.3Confident9 Ų956 Ų564%0.03528%0.284CS..Hα-helixtrans-61.4-40.3177.5-171.9-92000111.5P205 S206 S210 F213 L481 I482 L483 S488 M489 L519P205-Y485 HydrophobicContact CB-CD2 4.41Å; P205-Y485 HydrophobicContact CB-CE2 3.96Å; S206-Y485 PolarHBondContact N-OH 2.69Å; S206-Y485 PolarHBondContact O-OH 2.97Å; S210-Y485 WeakPolarHBondContact CA-OH 3.41Å; S210-Y485 PolarHBondContact N-OH 2.87Å; S210-Y485 VanDerWaalsContact N-OH 3.08Å; F213-Y485 HydrophobicContact CB-CE2 4.22Å; F213-Y485 AromaticContact CD1-CD2 3.81Å; F213-Y485 HydrophobicContact CD1-CD2 3.81Å; F213-Y485 HydrophobicContact CD1-CE2 4.18Å; F213-Y485 HydrophobicContact CD1-CG 4.04Å; F213-Y485 AromaticContact CE1-CD2 3.99Å; F213-Y485 HydrophobicContact CE1-CD2 3.99Å; F213-Y485 HydrophobicContact CE1-CG 4.08Å; F213-Y485 HydrophobicContact CG-CD2 4.11Å; F213-Y485 HydrophobicContact CG-CE2 4.14Å; F213-Y485 HydrophobicContact CZ-CD2 4.45Å; L481-Y485 WeakPolarHBondContact O-CB 3.45Å; L481-Y485 PolarHBondContact O-N 3.14Å; I482-Y485 PolarHBondContact O-N 2.86Å; L483-Y485 PolarHBondContact O-N 2.69Å; Y485-S488 PolarHBondContact O-N 3.05Å; Y485-S488 PolarHBondContact O-OG 2.83Å; Y485-M489 HydrophobicContact CD1-CE 3.96Å; Y485-M489 HydrophobicContact CE1-CE 3.42Å; Y485-M489 VanDerWaalsContact CE1-CE 3.42Å; Y485-L519 HydrophobicContact CD2-CD1 4.02Å; Y485-L519 HydrophobicContact CD2-CD2 4.5Å
486F84.5Confident80.2Confident123 Ų12351.5 Ų51.554%0.53927%0.271SS..Hα-helixtrans-67.1-44.6172.9-86.5-74.9000113.3I482 L483 Q484 S488 M489I482-F486 HydrophobicContact CG2-CD2 3.95Å; I482-F486 HydrophobicContact CG2-CE2 3.96Å; I482-F486 WeakPolarHBondContact O-CD2 3.4Å; I482-F486 PolarHBondContact O-N 2.91Å; L483-F486 PolarHBondContact O-N 3.21Å; Q484-F486 VanDerWaalsContact C-N 3.32Å; Q484-F486 PolarHBondContact O-N 3.05Å; F486-S488 PolarHBondContact O-N 3.46Å; F486-S488 VanDerWaalsContact O-N 3.13Å; F486-M489 PolarHBondContact O-N 3.18Å; F486-M489 VanDerWaalsContact O-N 3.09Å
487L80.4Confident79Confident21 Ų2154.1 Ų54.111%0.1129%0.288CS..Hα-helixtrans-64-14175.8-69166.4000113.6L483 Q484 I506 W508 T509L483-L487 HydrophobicContact CD1-CD1 4.36Å; L483-L487 HydrophobicContact CG-CD1 3.98Å; L483-L487 WeakPolarHBondContact O-CG 3.22Å; L483-L487 PolarHBondContact O-N 3.46Å; Q484-L487 PolarHBondContact O-N 2.62Å; L487-I506 HydrophobicContact CD1-CG2 3.57Å; L487-I506 HydrophobicContact CD2-CG2 4.25Å; L487-W508 HydrophobicContact CD2-CD2 4.34Å; L487-W508 HydrophobicContact CD2-CE3 3.82Å; L487-W508 HydrophobicContact CD2-CH2 4.23Å; L487-W508 HydrophobicContact CD2-CZ3 3.78Å; L487-T509 PolarHBondContact O-OG1 3.47Å
488S81.2Confident78.1Confident8 Ų856 Ų566%0.05630%0.301CS..THydrogen-bonded Turntrans-960175.775.40000115.1P205 Q484 Y485 F486 T509P205-S488 WeakPolarHBondContact CB-OG 3.41Å; P205-S488 WeakPolarHBondContact CG-O 3.35Å; Q484-S488 WeakPolarHBondContact O-CB 3.48Å; Q484-S488 PolarHBondContact O-N 2.96Å; Q484-S488 PolarHBondContact O-OG 2.95Å; Y485-S488 PolarHBondContact O-N 3.05Å; Y485-S488 PolarHBondContact O-OG 2.83Å; F486-S488 PolarHBondContact O-N 3.46Å; F486-S488 VanDerWaalsContact O-N 3.13Å; S488-T509 WeakPolarHBondContact CA-OG1 3.22Å
489M79.2Confident77.2Confident18 Ų1858.6 Ų58.69%0.08933%0.328CS..SBendtrans-82.8150.3172.8-66.4-163.5177.800112.2Y485 F486 I491Y485-M489 HydrophobicContact CD1-CE 3.96Å; Y485-M489 HydrophobicContact CE1-CE 3.42Å; Y485-M489 VanDerWaalsContact CE1-CE 3.42Å; F486-M489 PolarHBondContact O-N 3.18Å; F486-M489 VanDerWaalsContact O-N 3.09Å; M489-I491 HydrophobicContact CB-CD1 3.66Å; M489-I491 HydrophobicContact CB-CG1 3.76Å; M489-I491 HydrophobicContact CG-CD1 4.42Å; M489-I491 PolarHBondContact O-N 3.5Å; M489-I491 HydrophobicContact SD-CD1 3.95Å
490D73.2Confident76.6Confident107 Ų10760.7 Ų60.757%0.57233%0.333SS*.SBendtrans-77.664.1-179.5-169.316.8000112.5
491I73.3Confident75.8Confident31 Ų3160.5 Ų60.516%0.15933%0.332CS..  trans-124.96.2-174.7-41.7174.5000111.5M489 A493 E494 I495M489-I491 HydrophobicContact CB-CD1 3.66Å; M489-I491 HydrophobicContact CB-CG1 3.76Å; M489-I491 HydrophobicContact CG-CD1 4.42Å; M489-I491 PolarHBondContact O-N 3.5Å; M489-I491 HydrophobicContact SD-CD1 3.95Å; I491-A493 PolarHBondContact O-N 3.49Å; I491-A493 VanDerWaalsContact O-N 3.12Å; I491-E494 HydrophobicContact CG2-CB 4.14Å; I491-E494 PolarHBondContact O-N 3.32Å; I491-I495 HydrophobicContact CB-CD1 4.26Å; I491-I495 HydrophobicContact CG2-CD1 3.8Å; I491-I495 HydrophobicContact CG2-CG1 4.16Å
492H70.6Confident75Confident70 Ų7066.4 Ų66.432%0.32436%0.363SS..Hα-helixtrans-54.5-35.7-177.1-173.7-34.1000112.8E494 G496 D497H492-E494 VanDerWaalsContact C-N 3.27Å; H492-E494 PolarHBondContact O-N 2.93Å; H492-G496 PolarHBondContact O-N 2.88Å; H492-D497 IonicContact CE1-OD1 2.96Å; H492-D497 IonicContact CE1-OD2 3.94Å
493A67.7Low74.1Confident88 Ų8869.8 Ų69.873%0.72738%0.376SS*.Hα-helixtrans-68.8-20.1-179.100000114.2I491I491-A493 PolarHBondContact O-N 3.49Å; I491-A493 VanDerWaalsContact O-N 3.12Å
494E69.2Low73.4Confident88 Ų8868.5 Ų68.541%0.41137%0.37SS..Hα-helixtrans-101.1-13.2-178.1-74.490-16500114.4R273 I491 H492R273-E494 IonicContact CZ-OE1 3.21Å; R273-E494 VanDerWaalsContact NH1-CD 3.28Å; R273-E494 IonicContact NH1-OE1 3.24Å; R273-E494 PolarHBondContact NH1-OE1 3.38Å; R273-E494 IonicContact NH1-OE2 2.78Å; R273-E494 PolarHBondContact NH1-OE2 2.92Å; R273-E494 IonicContact NH2-OE1 2.75Å; R273-E494 PolarHBondContact NH2-OE1 3.31Å; I491-E494 HydrophobicContact CG2-CB 4.14Å; I491-E494 PolarHBondContact O-N 3.32Å; H492-E494 VanDerWaalsContact C-N 3.27Å; H492-E494 PolarHBondContact O-N 2.93Å
495I67.7Low72.5Confident106 Ų10668.2 Ų68.254%0.54438%0.375SS..Hα-helixtrans-112.5-39.5-170.9-61.7171.5000113.8I491 W508I491-I495 HydrophobicContact CB-CD1 4.26Å; I491-I495 HydrophobicContact CG2-CD1 3.8Å; I491-I495 HydrophobicContact CG2-CG1 4.16Å; I495-W508 HydrophobicContact CB-CH2 4.18Å; I495-W508 HydrophobicContact CB-CZ2 4.19Å; I495-W508 HydrophobicContact CD1-CH2 3.86Å; I495-W508 HydrophobicContact CG2-CH2 3.95Å; I495-W508 HydrophobicContact CG2-CZ2 3.82Å
496G65.9Low71.7Confident33 Ų3369 Ų6934%0.3438%0.38SS..  trans75.2175.7-177.500000115.5H492 P498H492-G496 PolarHBondContact O-N 2.88Å; G496-P498 WeakPolarHBondContact O-CD 3.42Å
497D63.2Low71Confident111 Ų11168.5 Ų68.559%0.59438%0.379SS*.  trans-106.5103.9-172.8-68.3-36.3000112.9H492 W508H492-D497 IonicContact CE1-OD1 2.96Å; H492-D497 IonicContact CE1-OD2 3.94Å; D497-W508 PolarHBondContact OD1-NE1 3.25Å
498P69.1Low70.8Confident46 Ų4669.8 Ų69.830%0.29938%0.383SS..  trans-86.7136.5178.734.9-35.5000111.9G496 W500 M501G496-P498 WeakPolarHBondContact O-CD 3.42Å; P498-W500 HydrophobicContact CB-CG 4.46Å; P498-W500 VanDerWaalsContact CB-NE1 3.34Å; P498-W500 HydrophobicContact CG-CD2 4.33Å; P498-W500 HydrophobicContact CG-CZ2 3.79Å; P498-W500 PolarHBondContact O-N 3.16Å; P498-M501 HydrophobicContact CG-SD 4.32Å; P498-M501 PolarHBondContact O-N 3.28Å
499A69Low70.3Confident89 Ų8970.6 Ų70.674%0.73639%0.387SS*.THydrogen-bonded Turntrans-56-19.2-17300000116.1M501A499-M501 VanDerWaalsContact C-N 3.32Å; A499-M501 PolarHBondContact O-N 3.02Å
500W76.1Confident69.7Low156 Ų15674.7 Ų74.759%0.59141%0.414SS*.Hα-helixtrans-70.6-23175.262-101000113.5P498 N502 F503 V504P498-W500 HydrophobicContact CB-CG 4.46Å; P498-W500 VanDerWaalsContact CB-NE1 3.34Å; P498-W500 HydrophobicContact CG-CD2 4.33Å; P498-W500 HydrophobicContact CG-CZ2 3.79Å; P498-W500 PolarHBondContact O-N 3.16Å; W500-N502 VanDerWaalsContact C-N 3.34Å; W500-N502 PolarHBondContact O-N 3.4Å; W500-F503 PolarHBondContact O-N 3.3Å; W500-V504 HydrophobicContact CE3-CG2 4.26Å; W500-V504 WeakPolarHBondContact O-CG2 3.49Å; W500-V504 PolarHBondContact O-N 2.83Å
501M70.4Confident69.6Low13 Ų1372.3 Ų72.36%0.06440%0.401CS..Hα-helixtrans-61.4-41.7176.9-98.8172.561.900112.1P498 A499 F503 V504 G505 I506 W508P498-M501 HydrophobicContact CG-SD 4.32Å; P498-M501 PolarHBondContact O-N 3.28Å; A499-M501 VanDerWaalsContact C-N 3.32Å; A499-M501 PolarHBondContact O-N 3.02Å; M501-F503 VanDerWaalsContact C-N 3.28Å; M501-F503 PolarHBondContact O-N 3.03Å; M501-V504 PolarHBondContact O-N 3.38Å; M501-G505 PolarHBondContact O-N 3.25Å; M501-I506 HydrophobicContact CE-CG2 4.28Å; M501-I506 VanDerWaalsContact CE-O 3.23Å; M501-I506 WeakPolarHBondContact CE-O 3.33Å; M501-I506 HydrophobicContact CG-CB 4.29Å; M501-I506 HydrophobicContact CG-CG2 4.45Å; M501-I506 PolarHBondContact O-N 2.96Å; M501-W508 HydrophobicContact CE-CG 4.17Å
502N67.9Low69.4Low123 Ų12372.6 Ų72.666%0.65840%0.404SS*.Hα-helixtrans-66.2-27.3177-70.7-11.2000113.3W500W500-N502 VanDerWaalsContact C-N 3.34Å; W500-N502 PolarHBondContact O-N 3.4Å
503F69.6Low69.7Low141 Ų14170.1 Ų70.162%0.61839%0.394SS*.Hα-helixtrans-79.8-33.7175.2-169.1-92.5000112I444 W500 M501I444-F503 HydrophobicContact CD1-CD1 4.17Å; I444-F503 HydrophobicContact CD1-CE1 4.19Å; I444-F503 WeakPolarHBondContact CD1-O 3.37Å; W500-F503 PolarHBondContact O-N 3.3Å; M501-F503 VanDerWaalsContact C-N 3.28Å; M501-F503 PolarHBondContact O-N 3.03Å
504V71.3Confident70Confident25 Ų2570.2 Ų70.215%0.15238%0.379CS..Hα-helixtrans-85.4-24.2-177.6175.40000112.9I444 F445 W500 M501 I506I444-V504 PolarHBondContact N-O 2.94Å; F445-V504 HydrophobicContact CD2-CG1 3.97Å; F445-V504 HydrophobicContact CE2-CG1 3.41Å; F445-V504 VanDerWaalsContact CE2-CG1 3.41Å; F445-V504 HydrophobicContact CZ-CG1 4.14Å; W500-V504 HydrophobicContact CE3-CG2 4.26Å; W500-V504 WeakPolarHBondContact O-CG2 3.49Å; W500-V504 PolarHBondContact O-N 2.83Å; M501-V504 PolarHBondContact O-N 3.38Å; V504-I506 HydrophobicContact CG1-CD1 4.03Å; V504-I506 HydrophobicContact CG1-CG1 4.22Å
505G66.4Low70.4Confident26 Ų2666.1 Ų66.127%0.26836%0.361SS..THydrogen-bonded Turntrans80.448.4-177.200000112.6S443 M501S443-G505 WeakPolarHBondContact CB-O 3.39Å; M501-G505 PolarHBondContact O-N 3.25Å
506I69.5Low71.1Confident26 Ų2661.8 Ų61.813%0.13334%0.339CS..  trans-120.5134.4171.2-68174000108.3F445 L483 L487 M501 V504F445-I506 HydrophobicContact CD2-CD1 4Å; F445-I506 HydrophobicContact CE2-CD1 3.62Å; L483-I506 HydrophobicContact CD2-CD1 4.43Å; L487-I506 HydrophobicContact CD1-CG2 3.57Å; L487-I506 HydrophobicContact CD2-CG2 4.25Å; M501-I506 HydrophobicContact CE-CG2 4.28Å; M501-I506 VanDerWaalsContact CE-O 3.23Å; M501-I506 WeakPolarHBondContact CE-O 3.33Å; M501-I506 HydrophobicContact CG-CB 4.29Å; M501-I506 HydrophobicContact CG-CG2 4.45Å; M501-I506 PolarHBondContact O-N 2.96Å; V504-I506 HydrophobicContact CG1-CD1 4.03Å; V504-I506 HydrophobicContact CG1-CG1 4.22Å
507E70.5Confident71.9Confident112 Ų11264.7 Ų64.752%0.52335%0.346SS..  trans-128.2145.3-179.8-62.4178.5-178.600109.6R694E507-R694 IonicContact OE1-CZ 2.68Å; E507-R694 IonicContact OE1-NH1 3.55Å; E507-R694 PolarHBondContact OE1-NH1 3.06Å; E507-R694 VanDerWaalsContact OE1-NH1 3.08Å; E507-R694 IonicContact OE1-NH2 3.42Å; E507-R694 PolarHBondContact OE1-NH2 3.1Å; E507-R694 IonicContact OE2-NH2 3.3Å
508W75.1Confident72.8Confident49 Ų4961 Ų6119%0.18633%0.326CS..  trans-73.5143.8176.8-65.2107.2000111.6L487 I495 D497 M501L487-W508 HydrophobicContact CD2-CD2 4.34Å; L487-W508 HydrophobicContact CD2-CE3 3.82Å; L487-W508 HydrophobicContact CD2-CH2 4.23Å; L487-W508 HydrophobicContact CD2-CZ3 3.78Å; I495-W508 HydrophobicContact CB-CH2 4.18Å; I495-W508 HydrophobicContact CB-CZ2 4.19Å; I495-W508 HydrophobicContact CD1-CH2 3.86Å; I495-W508 HydrophobicContact CG2-CH2 3.95Å; I495-W508 HydrophobicContact CG2-CZ2 3.82Å; D497-W508 PolarHBondContact OD1-NE1 3.25Å; M501-W508 HydrophobicContact CE-CG 4.17Å
509T71.7Confident73.6Confident24 Ų2458.8 Ų58.815%0.14731%0.312CS..  trans-10595.5175.458.60000111.2L487 S488 I518L487-T509 PolarHBondContact O-OG1 3.47Å; S488-T509 WeakPolarHBondContact CA-OG1 3.22Å; T509-I518 HydrophobicContact CG2-CD1 3.64Å
510T66.3Low74.4Confident104 Ų10457.3 Ų57.364%0.63830%0.295SS*.  trans-77.5-22-179.353.10000114.3
511L70.8Confident74.8Confident58 Ų5852.2 Ų52.230%0.30428%0.281SS..SBendtrans-94.6123.4-175-76.3143.6000111.3M305 V513 H514 A515M305-L511 HydrophobicContact CB-CD2 4.06Å; M305-L511 HydrophobicContact CG-CD2 4.06Å; M305-L511 HydrophobicContact SD-CD2 3.56Å; M305-L511 VanDerWaalsContact SD-CD2 3.56Å; L511-V513 VanDerWaalsContact C-N 3.26Å; L511-V513 PolarHBondContact O-N 2.99Å; L511-H514 HydrophobicContact CB-CB 4.08Å; L511-H514 VanDerWaalsContact CB-ND1 3.29Å; L511-H514 WeakPolarHBondContact CB-ND1 3.36Å; L511-H514 PolarHBondContact O-N 3.32Å; L511-H514 VanDerWaalsContact O-N 3.1Å; L511-A515 PolarHBondContact O-N 3.4Å; L511-A515 VanDerWaalsContact O-N 3.07Å
512P69.6Low75.6Confident36 Ų3651.8 Ų51.823%0.23428%0.279CS..Hα-helixtrans-66.6-25.6-172.625.5-33.2000113.3M305 L309 V516M305-P512 WeakPolarHBondContact O-CG 3.24Å; L309-P512 HydrophobicContact CD1-CG 4.42Å; P512-V516 VanDerWaalsContact O-CG2 3.31Å; P512-V516 WeakPolarHBondContact O-CG2 3.36Å; P512-V516 PolarHBondContact O-N 3.23Å; P512-V516 VanDerWaalsContact O-N 3.15Å
513V76.5Confident76.3Confident19 Ų1946.6 Ų46.612%0.11525%0.252CS..Hα-helixtrans-74-39.5173.9170.70000112.3I304 M305 P308 L511 A515 V516 I517I304-V513 WeakPolarHBondContact O-CG2 3.32Å; M305-V513 WeakPolarHBondContact O-CG2 3.35Å; P308-V513 HydrophobicContact CG-CG2 3.63Å; L511-V513 VanDerWaalsContact C-N 3.26Å; L511-V513 PolarHBondContact O-N 2.99Å; V513-A515 VanDerWaalsContact C-N 3.33Å; V513-A515 PolarHBondContact O-N 2.89Å; V513-V516 PolarHBondContact O-N 2.96Å; V513-I517 HydrophobicContact CG1-CD1 3.82Å; V513-I517 HydrophobicContact CG1-CG1 4.46Å; V513-I517 WeakPolarHBondContact O-CG1 3.39Å; V513-I517 PolarHBondContact O-N 3.46Å
514H75Confident77Confident89 Ų8944.9 Ų44.941%0.41225%0.248SC..Hα-helixtrans-63.7-41.5174.8-71.287.1000110.8L511 V516 I517 I518L511-H514 HydrophobicContact CB-CB 4.08Å; L511-H514 VanDerWaalsContact CB-ND1 3.29Å; L511-H514 WeakPolarHBondContact CB-ND1 3.36Å; L511-H514 PolarHBondContact O-N 3.32Å; L511-H514 VanDerWaalsContact O-N 3.1Å; H514-V516 PolarHBondContact O-N 3.42Å; H514-I517 PolarHBondContact O-N 2.79Å; H514-I518 WeakPolarHBondContact O-CB 3.24Å; H514-I518 WeakPolarHBondContact O-CD1 3.35Å; H514-I518 VanDerWaalsContact O-CG1 3.27Å; H514-I518 WeakPolarHBondContact O-CG1 3.41Å; H514-I518 PolarHBondContact O-N 3.25Å
515A76.1Confident77.6Confident2 Ų245.3 Ų45.32%0.01725%0.249CC..Hα-helixtrans-56.2-48.7171.900000112.6P205 L511 V513 I517 L519P205-A515 HydrophobicContact CG-CB 4.22Å; L511-A515 PolarHBondContact O-N 3.4Å; L511-A515 VanDerWaalsContact O-N 3.07Å; V513-A515 VanDerWaalsContact C-N 3.33Å; V513-A515 PolarHBondContact O-N 2.89Å; A515-I517 PolarHBondContact O-N 3.22Å; A515-L519 WeakPolarHBondContact O-CB 3.32Å; A515-L519 WeakPolarHBondContact O-CG 3.26Å; A515-L519 PolarHBondContact O-N 2.9Å
516V83.1Confident78.6Confident16 Ų1644 Ų4410%0.09724%0.237CC..Hα-helixtrans-60.2-45177168.20000111.8I202 V203 P308 P512 V513 H514 C520I202-V516 HydrophobicContact CG2-CB 4.46Å; I202-V516 HydrophobicContact CG2-CG1 4.3Å; I202-V516 HydrophobicContact CG2-CG2 4.48Å; I202-V516 WeakPolarHBondContact O-CG2 3.37Å; V203-V516 WeakPolarHBondContact O-CG2 3.48Å; P308-V516 HydrophobicContact CB-CG2 4.32Å; P308-V516 HydrophobicContact CG-CG2 4.31Å; P512-V516 VanDerWaalsContact O-CG2 3.31Å; P512-V516 WeakPolarHBondContact O-CG2 3.36Å; P512-V516 PolarHBondContact O-N 3.23Å; P512-V516 VanDerWaalsContact O-N 3.15Å; V513-V516 PolarHBondContact O-N 2.96Å; H514-V516 PolarHBondContact O-N 3.42Å; V516-C520 WeakPolarHBondContact O-CB 3.32Å; V516-C520 PolarHBondContact O-N 2.88Å
517I82.6Confident79.2Confident93 Ų9346.3 Ų46.348%0.47725%0.249SC..Hα-helixtrans-65.4-49.5-179.1-68.8167.3000110.9V513 H514 A515 L519 C520 V521V513-I517 HydrophobicContact CG1-CD1 3.82Å; V513-I517 HydrophobicContact CG1-CG1 4.46Å; V513-I517 WeakPolarHBondContact O-CG1 3.39Å; V513-I517 PolarHBondContact O-N 3.46Å; H514-I517 PolarHBondContact O-N 2.79Å; A515-I517 PolarHBondContact O-N 3.22Å; I517-L519 PolarHBondContact O-N 3.22Å; I517-C520 PolarHBondContact O-N 3Å; I517-V521 HydrophobicContact CG2-CG2 4.4Å; I517-V521 WeakPolarHBondContact O-CG2 3.33Å; I517-V521 PolarHBondContact O-N 3Å
518I83.2Confident79.9Confident34 Ų3442.5 Ų42.517%0.17423%0.233CC..Hα-helixtrans-62.2-47.7-177.6-68.7163.7000110.4Y441 Q484 T509 H514 C520 V521 Q522Y441-I518 HydrophobicContact CE1-CG1 4.43Å; Y441-I518 HydrophobicContact CE1-CG2 4.03Å; Q484-I518 HydrophobicContact CG-CG2 3.92Å; T509-I518 HydrophobicContact CG2-CD1 3.64Å; H514-I518 WeakPolarHBondContact O-CB 3.24Å; H514-I518 WeakPolarHBondContact O-CD1 3.35Å; H514-I518 VanDerWaalsContact O-CG1 3.27Å; H514-I518 WeakPolarHBondContact O-CG1 3.41Å; H514-I518 PolarHBondContact O-N 3.25Å; I518-C520 VanDerWaalsContact C-N 3.32Å; I518-C520 PolarHBondContact O-N 2.88Å; I518-V521 PolarHBondContact O-N 3.3Å; I518-Q522 HydrophobicContact CG2-CG 4.47Å; I518-Q522 WeakPolarHBondContact O-CB 3.42Å; I518-Q522 WeakPolarHBondContact O-CG 3.12Å; I518-Q522 PolarHBondContact O-N 3.43Å
519L85.1Confident80.4Confident0 Ų040.2 Ų40.20%023%0.225CC..Hα-helixtrans-63.7-35.7176.3-70.8171.8000112.3I202 Q484 Y485 A515 I517 T523I202-L519 HydrophobicContact CG1-CB 4.31Å; I202-L519 HydrophobicContact CG2-CB 3.8Å; I202-L519 HydrophobicContact CG2-CD1 4.36Å; Q484-L519 HydrophobicContact CB-CD2 4.27Å; Q484-L519 HydrophobicContact CG-CD2 3.96Å; Y485-L519 HydrophobicContact CD2-CD1 4.02Å; Y485-L519 HydrophobicContact CD2-CD2 4.5Å; A515-L519 WeakPolarHBondContact O-CB 3.32Å; A515-L519 WeakPolarHBondContact O-CG 3.26Å; A515-L519 PolarHBondContact O-N 2.9Å; I517-L519 PolarHBondContact O-N 3.22Å; L519-T523 WeakPolarHBondContact O-CB 3.41Å; L519-T523 VanDerWaalsContact O-CG2 3.27Å; L519-T523 WeakPolarHBondContact O-CG2 3.48Å; L519-T523 PolarHBondContact O-N 3.43Å; L519-T523 PolarHBondContact O-OG1 2.76Å
520C85.6Confident81.1Confident57 Ų5739.3 Ų39.339%0.38522%0.219SC..Hα-helixtrans-68.4-46.1176.7-170.70000112.6V516 I517 I518 T523 L524V516-C520 WeakPolarHBondContact O-CB 3.32Å; V516-C520 PolarHBondContact O-N 2.88Å; I517-C520 PolarHBondContact O-N 3Å; I518-C520 VanDerWaalsContact C-N 3.32Å; I518-C520 PolarHBondContact O-N 2.88Å; C520-T523 WeakPolarHBondContact CA-OG1 3.43Å; C520-T523 PolarHBondContact O-N 2.99Å; C520-T523 PolarHBondContact O-OG1 3.34Å; C520-T523 VanDerWaalsContact O-OG1 3.06Å; C520-L524 WeakPolarHBondContact O-CG 3.35Å; C520-L524 PolarHBondContact O-N 3.32Å
521V85.1Confident82Confident50 Ų5037.7 Ų37.730%0.30321%0.206SC..Hα-helixtrans-65.3-45.8177.81720000110.9L440 Y441 I517 I518 L524 L525L440-V521 HydrophobicContact CD1-CG1 4.5Å; Y441-V521 HydrophobicContact CE2-CG1 4.37Å; Y441-V521 WeakPolarHBondContact OH-CG1 3.47Å; I517-V521 HydrophobicContact CG2-CG2 4.4Å; I517-V521 WeakPolarHBondContact O-CG2 3.33Å; I517-V521 PolarHBondContact O-N 3Å; I518-V521 PolarHBondContact O-N 3.3Å; V521-L524 PolarHBondContact O-N 2.96Å; V521-L525 HydrophobicContact CG1-CD1 4.02Å; V521-L525 WeakPolarHBondContact O-CG 3.37Å; V521-L525 PolarHBondContact O-N 3.47Å
522Q86.7Confident82.7Confident4 Ų435.2 Ų35.22%0.01919%0.193CC..Hα-helixtrans-60.3-49.8175.6-73.6-177.64.400111.3W437 Y441 L481 Q484 I518 L524 L525 T526W437-Q522 HydrophobicContact CH2-CB 3.63Å; W437-Q522 HydrophobicContact CH2-CG 3.64Å; W437-Q522 HydrophobicContact CZ2-CB 4.37Å; W437-Q522 HydrophobicContact CZ2-CG 3.88Å; W437-Q522 HydrophobicContact CZ3-CB 3.9Å; W437-Q522 HydrophobicContact CZ3-CG 4.09Å; Y441-Q522 HydrophobicContact CD2-CG 4.35Å; Y441-Q522 HydrophobicContact CE2-CG 3.63Å; L481-Q522 HydrophobicContact CD2-CB 3.91Å; Q484-Q522 VanDerWaalsContact OE1-NE2 3.15Å; I518-Q522 HydrophobicContact CG2-CG 4.47Å; I518-Q522 WeakPolarHBondContact O-CB 3.42Å; I518-Q522 WeakPolarHBondContact O-CG 3.12Å; I518-Q522 PolarHBondContact O-N 3.43Å; Q522-L524 VanDerWaalsContact C-N 3.3Å; Q522-L524 PolarHBondContact O-N 3.12Å; Q522-L525 PolarHBondContact O-N 3.42Å; Q522-L525 VanDerWaalsContact O-N 3.1Å; Q522-T526 VanDerWaalsContact O-CG2 3.26Å; Q522-T526 WeakPolarHBondContact O-CG2 3.45Å; Q522-T526 PolarHBondContact O-N 3.26Å; Q522-T526 VanDerWaalsContact O-N 3.08Å
523T82.8Confident83.6Confident13 Ų1334.1 Ų34.18%0.0819%0.185CC..Hα-helixtrans-59.8-37.3178.6490000112.6I202 F213 F216 L481 L519 C520 T526I202-T523 HydrophobicContact CD1-CG2 4.22Å; F213-T523 HydrophobicContact CE2-CG2 4.13Å; F216-T523 HydrophobicContact CE1-CG2 4.33Å; L481-T523 HydrophobicContact CD2-CG2 3.81Å; L519-T523 WeakPolarHBondContact O-CB 3.41Å; L519-T523 VanDerWaalsContact O-CG2 3.27Å; L519-T523 WeakPolarHBondContact O-CG2 3.48Å; L519-T523 PolarHBondContact O-N 3.43Å; L519-T523 PolarHBondContact O-OG1 2.76Å; C520-T523 WeakPolarHBondContact CA-OG1 3.43Å; C520-T523 PolarHBondContact O-N 2.99Å; C520-T523 PolarHBondContact O-OG1 3.34Å; C520-T523 VanDerWaalsContact O-OG1 3.06Å; T523-T526 PolarHBondContact O-N 3.47Å; T523-T526 PolarHBondContact O-OG1 3.37Å
524L83.9Confident84.1Confident106 Ų10636.7 Ų36.756%0.55519%0.193SC*.Hα-helixtrans-63.1-45.5172.6-75.8164.7000112.7C520 V521 Q522 T526 L527C520-L524 WeakPolarHBondContact O-CG 3.35Å; C520-L524 PolarHBondContact O-N 3.32Å; V521-L524 PolarHBondContact O-N 2.96Å; Q522-L524 VanDerWaalsContact C-N 3.3Å; Q522-L524 PolarHBondContact O-N 3.12Å; L524-T526 PolarHBondContact O-N 3.29Å; L524-L527 HydrophobicContact CD2-CD1 4.26Å; L524-L527 PolarHBondContact O-N 3.31Å
525L84.8Confident84.5Confident33 Ų3333.7 Ų33.717%0.17318%0.18CC..Hα-helixtrans-64.6-20.9178.1-70.7171.2000113.4W437 L440 V521 Q522 P528W437-L525 HydrophobicContact CE3-CB 3.8Å; W437-L525 HydrophobicContact CE3-CD1 4.14Å; W437-L525 HydrophobicContact CZ3-CB 4.16Å; L440-L525 HydrophobicContact CD1-CD1 4.02Å; V521-L525 HydrophobicContact CG1-CD1 4.02Å; V521-L525 WeakPolarHBondContact O-CG 3.37Å; V521-L525 PolarHBondContact O-N 3.47Å; Q522-L525 PolarHBondContact O-N 3.42Å; Q522-L525 VanDerWaalsContact O-N 3.1Å; L525-P528 WeakPolarHBondContact O-CD 3.5Å
526T85.6Confident84.8Confident0 Ų034.4 Ų34.40%019%0.186CC..Hα-helixtrans-80.3-22.5175.569.30000114.9W437 I477 L481 Q522 T523 L524 V529 F530W437-T526 HydrophobicContact CH2-CG2 4.27Å; W437-T526 HydrophobicContact CZ3-CG2 3.77Å; I477-T526 HydrophobicContact CG2-CG2 3.22Å; L481-T526 HydrophobicContact CD1-CG2 3.58Å; L481-T526 HydrophobicContact CG-CG2 4.16Å; Q522-T526 VanDerWaalsContact O-CG2 3.26Å; Q522-T526 WeakPolarHBondContact O-CG2 3.45Å; Q522-T526 PolarHBondContact O-N 3.26Å; Q522-T526 VanDerWaalsContact O-N 3.08Å; T523-T526 PolarHBondContact O-N 3.47Å; T523-T526 PolarHBondContact O-OG1 3.37Å; L524-T526 PolarHBondContact O-N 3.29Å; T526-V529 WeakPolarHBondContact O-CA 3.33Å; T526-V529 WeakPolarHBondContact O-CB 3.36Å; T526-V529 PolarHBondContact O-N 2.91Å; T526-F530 WeakPolarHBondContact O-CD2 3.36Å; T526-F530 PolarHBondContact O-N 3.03Å; T526-F530 VanDerWaalsContact O-N 3.1Å
527L83.5Confident84.9Confident74 Ų7439.5 Ų39.539%0.38720%0.203SC..Hα-helixtrans-57.9-40.7-176.1-64.1177.2000114.1L524 V529 F530 L531L524-L527 HydrophobicContact CD2-CD1 4.26Å; L524-L527 PolarHBondContact O-N 3.31Å; L527-V529 PolarHBondContact O-N 3.03Å; L527-F530 PolarHBondContact O-N 3.43Å; L527-L531 PolarHBondContact O-N 3.25Å; L527-L531 VanDerWaalsContact O-N 3.1Å
528P84.5Confident84.7Confident31 Ų3136.5 Ų36.520%0.20119%0.186CC..Hα-helixtrans-60.3-28.9172.3-24.435.7000113.8I429 A430 A433 L525 L532I429-P528 HydrophobicContact CG2-CB 4.25Å; I429-P528 HydrophobicContact CG2-CG 4.24Å; A430-P528 HydrophobicContact CB-CB 4.36Å; A433-P528 HydrophobicContact CB-CG 4.33Å; L525-P528 WeakPolarHBondContact O-CD 3.5Å; P528-L532 WeakPolarHBondContact O-CB 3.41Å; P528-L532 PolarHBondContact O-N 3.22Å
529V85Confident84.3Confident2 Ų237.2 Ų37.21%0.01219%0.189CC..Hα-helixtrans-79.8-41-179.3-172.10000111.3I473 L474 I477 T526 L527 L531 L532 L533I473-V529 HydrophobicContact CG2-CG1 3.85Å; L474-V529 HydrophobicContact CB-CG1 4.19Å; L474-V529 HydrophobicContact CD1-CB 4.4Å; L474-V529 HydrophobicContact CD1-CG1 3.94Å; I477-V529 HydrophobicContact CD1-CG1 4.26Å; I477-V529 HydrophobicContact CD1-CG2 3.9Å; T526-V529 WeakPolarHBondContact O-CA 3.33Å; T526-V529 WeakPolarHBondContact O-CB 3.36Å; T526-V529 PolarHBondContact O-N 2.91Å; L527-V529 PolarHBondContact O-N 3.03Å; V529-L531 PolarHBondContact O-N 2.89Å; V529-L532 WeakPolarHBondContact O-CB 3.48Å; V529-L532 PolarHBondContact O-N 3.01Å; V529-L532 VanDerWaalsContact O-N 3.12Å; V529-L533 PolarHBondContact O-N 3.23Å
530F87Confident84Confident4 Ų444 Ų442%0.01822%0.218CC..Hα-helixtrans-57.6-39168.6-76.2-70.9000111.5L217 L474 E478 T526 L527 R534L217-F530 HydrophobicContact CD2-CZ 4.47Å; L474-F530 HydrophobicContact CD1-CD1 3.75Å; L474-F530 HydrophobicContact CD1-CD2 4.38Å; L474-F530 HydrophobicContact CD1-CE1 3.77Å; L474-F530 HydrophobicContact CD1-CE2 4.38Å; L474-F530 HydrophobicContact CD1-CG 4.07Å; L474-F530 HydrophobicContact CD1-CZ 4.09Å; L474-F530 HydrophobicContact CD2-CD1 3.9Å; L474-F530 HydrophobicContact CD2-CE1 4.05Å; L474-F530 HydrophobicContact CG-CD1 4.46Å; L474-F530 HydrophobicContact CG-CE1 4.38Å; E478-F530 HydrophobicContact CG-CZ 4.46Å; E478-F530 WeakPolarHBondContact OE1-CE1 3Å; T526-F530 WeakPolarHBondContact O-CD2 3.36Å; T526-F530 PolarHBondContact O-N 3.03Å; T526-F530 VanDerWaalsContact O-N 3.1Å; L527-F530 PolarHBondContact O-N 3.43Å; F530-R534 WeakPolarHBondContact O-CB 3.44Å; F530-R534 PolarHBondContact O-N 3.22Å; F530-R534 VanDerWaalsContact O-N 3.09Å
531L84.7Confident83.4Confident71 Ų7144.8 Ų44.837%0.37222%0.215SC..Hα-helixtrans-68.6-38.4174.6-174.9130.5000112.3L527 V529 R534 L535L527-L531 PolarHBondContact O-N 3.25Å; L527-L531 VanDerWaalsContact O-N 3.1Å; V529-L531 PolarHBondContact O-N 2.89Å; L531-R534 PolarHBondContact O-N 3.13Å; L531-L535 HydrophobicContact CD2-CD1 3.61Å; L531-L535 HydrophobicContact CD2-CG 4.3Å; L531-L535 HydrophobicContact CG-CD1 4.3Å; L531-L535 HydrophobicContact CG-CG 4.49Å; L531-L535 WeakPolarHBondContact O-CB 3.49Å; L531-L535 WeakPolarHBondContact O-CG 3.35Å; L531-L535 PolarHBondContact O-N 3.4Å
532L87.1Confident82.6Confident5 Ų543.8 Ų43.83%0.02621%0.206CC..Hα-helixtrans-57.6-48.9174.3-168.478.5000111.5A430 F467 A470 P528 V529 L535 A536A430-L532 HydrophobicContact CB-CB 4.4Å; A430-L532 HydrophobicContact CB-CD1 4.07Å; A430-L532 HydrophobicContact CB-CD2 4.21Å; A430-L532 HydrophobicContact CB-CG 4.48Å; F467-L532 HydrophobicContact CD1-CD1 3.78Å; F467-L532 HydrophobicContact CD1-CG 4.24Å; F467-L532 HydrophobicContact CE1-CD1 3.67Å; F467-L532 HydrophobicContact CE1-CG 4.46Å; A470-L532 HydrophobicContact CB-CD2 3.71Å; A470-L532 HydrophobicContact CB-CG 3.94Å; P528-L532 WeakPolarHBondContact O-CB 3.41Å; P528-L532 PolarHBondContact O-N 3.22Å; V529-L532 WeakPolarHBondContact O-CB 3.48Å; V529-L532 PolarHBondContact O-N 3.01Å; V529-L532 VanDerWaalsContact O-N 3.12Å; L532-L535 PolarHBondContact O-N 3.48Å; L532-A536 WeakPolarHBondContact O-CB 3.1Å; L532-A536 PolarHBondContact O-N 3.14Å
533L87.9Confident81.7Confident13 Ų1348.6 Ų48.67%0.06823%0.229CC..Hα-helixtrans-65.1-40.8177-178.459.5000111.8P471 L474 V529 L535 A536 R537P471-L533 HydrophobicContact CB-CD1 4.05Å; L474-L533 HydrophobicContact CD2-CB 4.32Å; L474-L533 HydrophobicContact CD2-CD2 3.43Å; L474-L533 VanDerWaalsContact CD2-CD2 3.43Å; V529-L533 PolarHBondContact O-N 3.23Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 3.29Å; L533-A536 PolarHBondContact O-N 3.21Å; L533-R537 HydrophobicContact CD1-CG 3.99Å; L533-R537 HydrophobicContact CG-CG 4.28Å; L533-R537 WeakPolarHBondContact O-CB 3.46Å; L533-R537 WeakPolarHBondContact O-CG 3.34Å; L533-R537 PolarHBondContact O-N 3.12Å
534R86.2Confident81Confident73 Ų7352 Ų5228%0.27525%0.253SS..Hα-helixtrans-61.6-41.6176.7-171.1175.9167.6106-12.4112.2W223 S224 Y226 F530 L531 R538W223-R534 VanDerWaalsContact CE2-CZ 3.46Å; W223-R534 VanDerWaalsContact CH2-CD 3.41Å; W223-R534 HydrophobicContact CZ3-CB 4.39Å; W223-R534 VanDerWaalsContact CZ3-CD 3.46Å; W223-R534 PolarHBondContact O-NH1 3.16Å; S224-R534 VanDerWaalsContact O-CA 3.27Å; S224-R534 WeakPolarHBondContact O-CA 3.29Å; Y226-R534 HydrophobicContact CD2-CG 4.48Å; F530-R534 WeakPolarHBondContact O-CB 3.44Å; F530-R534 PolarHBondContact O-N 3.22Å; F530-R534 VanDerWaalsContact O-N 3.09Å; L531-R534 PolarHBondContact O-N 3.13Å; R534-R538 WeakPolarHBondContact O-CB 3.4Å; R534-R538 PolarHBondContact O-N 2.84Å
535L83.2Confident80Confident26 Ų2648 Ų4814%0.13623%0.232CC..Hα-helixtrans-66.9-43.9175.9-72.2176.6000111.4I423 S426 L531 L532 L533 R538 E539I423-L535 HydrophobicContact CG2-CD2 4.14Å; S426-L535 WeakPolarHBondContact OG-CD1 3.32Å; L531-L535 HydrophobicContact CD2-CD1 3.61Å; L531-L535 HydrophobicContact CD2-CG 4.3Å; L531-L535 HydrophobicContact CG-CD1 4.3Å; L531-L535 HydrophobicContact CG-CG 4.49Å; L531-L535 WeakPolarHBondContact O-CB 3.49Å; L531-L535 WeakPolarHBondContact O-CG 3.35Å; L531-L535 PolarHBondContact O-N 3.4Å; L532-L535 PolarHBondContact O-N 3.48Å; L533-L535 VanDerWaalsContact C-N 3.35Å; L533-L535 PolarHBondContact O-N 3.29Å; L535-R538 PolarHBondContact O-N 3.39Å; L535-E539 WeakPolarHBondContact O-CB 3.3Å; L535-E539 PolarHBondContact O-N 3.42Å
536A83.7Confident78.9Confident18 Ų1849 Ų4915%0.14924%0.242CC..Hα-helixtrans-61.9-46.2175.900000112.5F467 L532 L533 E539 K540F467-A536 HydrophobicContact CB-CB 4.14Å; F467-A536 HydrophobicContact CD1-CB 4.41Å; F467-A536 HydrophobicContact CG-CB 4.27Å; L532-A536 WeakPolarHBondContact O-CB 3.1Å; L532-A536 PolarHBondContact O-N 3.14Å; L533-A536 PolarHBondContact O-N 3.21Å; A536-E539 PolarHBondContact O-N 3.37Å; A536-K540 WeakPolarHBondContact O-CB 3.44Å; A536-K540 PolarHBondContact O-N 3.06Å
537R84.3Confident77.5Confident122 Ų12253 Ų5346%0.4626%0.263SS..Hα-helixtrans-64.4-40.1175.7-75.1-69.4-175.7173.91.1112.2L533 F541L533-R537 HydrophobicContact CD1-CG 3.99Å; L533-R537 HydrophobicContact CG-CG 4.28Å; L533-R537 WeakPolarHBondContact O-CB 3.46Å; L533-R537 WeakPolarHBondContact O-CG 3.34Å; L533-R537 PolarHBondContact O-N 3.12Å; R537-F541 WeakPolarHBondContact O-CB 3.08Å; R537-F541 PolarHBondContact O-N 3.37Å
538R78.7Confident75.9Confident30 Ų3057.3 Ų57.311%0.11328%0.276CS..Hα-helixtrans-64.8-47.3175.9175.1-175.3173.3172.74.6111.9Y226 D393 R534 L535 K540 F541 Y542Y226-R538 HydrophobicContact CD2-CB 4.01Å; Y226-R538 HydrophobicContact CD2-CG 4.41Å; Y226-R538 HydrophobicContact CE2-CB 4.01Å; Y226-R538 HydrophobicContact CE2-CG 3.89Å; Y226-R538 HydrophobicContact CG-CB 4.44Å; D393-R538 VanDerWaalsContact CG-CZ 3.42Å; D393-R538 VanDerWaalsContact CG-NH1 3.26Å; D393-R538 IonicContact OD1-CZ 2.74Å; D393-R538 IonicContact OD1-NH1 3.03Å; D393-R538 PolarHBondContact OD1-NH1 3.23Å; D393-R538 IonicContact OD1-NH2 3.4Å; D393-R538 PolarHBondContact OD1-NH2 3.41Å; D393-R538 IonicContact OD2-CZ 3.64Å; D393-R538 IonicContact OD2-NE 3.33Å; D393-R538 IonicContact OD2-NH1 2.7Å; D393-R538 PolarHBondContact OD2-NH1 3.44Å; D393-R538 VanDerWaalsContact OD2-NH1 3.07Å; D393-R538 IonicContact OD2-NH2 3.38Å; D393-R538 PolarHBondContact OD2-NH2 2.78Å; R534-R538 WeakPolarHBondContact O-CB 3.4Å; R534-R538 PolarHBondContact O-N 2.84Å; L535-R538 PolarHBondContact O-N 3.39Å; R538-K540 VanDerWaalsContact C-N 3.31Å; R538-K540 PolarHBondContact O-N 3.36Å; R538-F541 PolarHBondContact O-N 2.71Å; R538-Y542 HydrophobicContact CG-CD2 3.65Å; R538-Y542 HydrophobicContact CG-CE2 3.7Å; R538-Y542 VanDerWaalsContact O-CD2 3.3Å; R538-Y542 WeakPolarHBondContact O-CD2 3.02Å; R538-Y542 PolarHBondContact O-N 2.72Å
539E75.4Confident74.6Confident49 Ų4960.4 Ų60.423%0.22929%0.287CS..Hα-helixtrans-60.7-46.1178.6-164156.1-164.500109.2R463 F467 L535 A536 F541 Y542 E543R463-E539 IonicContact CZ-OE1 2.59Å; R463-E539 IonicContact CZ-OE2 3.79Å; R463-E539 IonicContact NH1-OE1 3.66Å; R463-E539 IonicContact NH2-OE1 3.85Å; R463-E539 PolarHBondContact NH2-OE1 3.37Å; R463-E539 IonicContact NH2-OE2 2.67Å; R463-E539 PolarHBondContact NH2-OE2 3.46Å; F467-E539 WeakPolarHBondContact CE2-OE2 3.5Å; L535-E539 WeakPolarHBondContact O-CB 3.3Å; L535-E539 PolarHBondContact O-N 3.42Å; A536-E539 PolarHBondContact O-N 3.37Å; E539-F541 VanDerWaalsContact C-N 3.34Å; E539-F541 PolarHBondContact O-N 3.07Å; E539-Y542 PolarHBondContact O-N 3.13Å; E539-E543 WeakPolarHBondContact O-CG 3.08Å; E539-E543 PolarHBondContact O-N 2.99Å
540K78.1Confident73.2Confident144 Ų14461.6 Ų61.663%0.62629%0.292SS*.Hα-helixtrans-60.2-35.9173.2-163.9167.5-174.2171.90114A536 R538 E543 S544A536-K540 WeakPolarHBondContact O-CB 3.44Å; A536-K540 PolarHBondContact O-N 3.06Å; R538-K540 VanDerWaalsContact C-N 3.31Å; R538-K540 PolarHBondContact O-N 3.36Å; K540-E543 PolarHBondContact O-N 3.36Å; K540-S544 WeakPolarHBondContact O-CB 3.45Å; K540-S544 PolarHBondContact O-N 3.04Å; K540-S544 VanDerWaalsContact O-N 3.13Å
541F73.4Confident71.5Confident73 Ų7365 Ų6532%0.3231%0.308SS..Hα-helixtrans-69.6-44.5174.2174.1-94.2000112.5Y226 R537 R538 E539 E543 S544 L545Y226-F541 HydrophobicContact CD1-CB 4.23Å; Y226-F541 HydrophobicContact CD1-CD1 4.28Å; Y226-F541 HydrophobicContact CD1-CG 4.12Å; Y226-F541 HydrophobicContact CE1-CB 4.23Å; Y226-F541 AromaticContact CE1-CD1 3.52Å; Y226-F541 HydrophobicContact CE1-CD1 3.52Å; Y226-F541 HydrophobicContact CE1-CD2 4.47Å; Y226-F541 AromaticContact CE1-CE1 3.91Å; Y226-F541 HydrophobicContact CE1-CE1 3.91Å; Y226-F541 AromaticContact CE1-CG 3.83Å; Y226-F541 HydrophobicContact CE1-CG 3.83Å; R537-F541 WeakPolarHBondContact O-CB 3.08Å; R537-F541 PolarHBondContact O-N 3.37Å; R538-F541 PolarHBondContact O-N 2.71Å; E539-F541 VanDerWaalsContact C-N 3.34Å; E539-F541 PolarHBondContact O-N 3.07Å; F541-E543 PolarHBondContact O-N 3.41Å; F541-S544 PolarHBondContact O-N 3.17Å; F541-S544 PolarHBondContact O-OG 3.28Å; F541-S544 VanDerWaalsContact O-OG 3.13Å; F541-L545 HydrophobicContact CD1-CD1 3.87Å; F541-L545 HydrophobicContact CE1-CD1 3.52Å; F541-L545 HydrophobicContact CE2-CD1 4.28Å; F541-L545 HydrophobicContact CG-CD1 4.41Å; F541-L545 HydrophobicContact CZ-CD1 3.75Å; F541-L545 WeakPolarHBondContact O-CD1 3.4Å; F541-L545 PolarHBondContact O-N 3.48Å
542Y68.5Low69.9Low28 Ų2869.7 Ų69.711%0.1132%0.32CS..Hα-helixtrans-67.5-21.5175-81.3-73.6000112.5V392 R538 E539 R550V392-Y542 HydrophobicContact CB-CE1 4.29Å; V392-Y542 HydrophobicContact CG1-CE1 3.98Å; V392-Y542 WeakPolarHBondContact CG1-OH 3.47Å; V392-Y542 HydrophobicContact CG2-CD1 4.35Å; V392-Y542 HydrophobicContact CG2-CE1 4Å; R538-Y542 HydrophobicContact CG-CD2 3.65Å; R538-Y542 HydrophobicContact CG-CE2 3.7Å; R538-Y542 VanDerWaalsContact O-CD2 3.3Å; R538-Y542 WeakPolarHBondContact O-CD2 3.02Å; R538-Y542 PolarHBondContact O-N 2.72Å; E539-Y542 PolarHBondContact O-N 3.13Å; Y542-R550 PolarHBondContact O-NH2 3.02Å
543E66.8Low68.2Low106 Ų10675.3 Ų75.350%0.49534%0.341SS..THydrogen-bonded Turntrans-80.9-14167.8-70.2-166.6124.600114.6K386 E539 K540 F541K386-E543 IonicContact NZ-OE1 3.93Å; K386-E543 PolarHBondContact NZ-OE1 3.38Å; E539-E543 WeakPolarHBondContact O-CG 3.08Å; E539-E543 PolarHBondContact O-N 2.99Å; K540-E543 PolarHBondContact O-N 3.36Å; F541-E543 PolarHBondContact O-N 3.41Å
544S69.1Low66.3Low85 Ų8576.7 Ų76.759%0.59435%0.348SS*.THydrogen-bonded Turntrans-107.3-0.6-176.478.40000115.7K540 F541K540-S544 WeakPolarHBondContact O-CB 3.45Å; K540-S544 PolarHBondContact O-N 3.04Å; K540-S544 VanDerWaalsContact O-N 3.13Å; F541-S544 PolarHBondContact O-N 3.17Å; F541-S544 PolarHBondContact O-OG 3.28Å; F541-S544 VanDerWaalsContact O-OG 3.13Å
545L62.1Low64.4Low22 Ų2279 Ų7912%0.11537%0.366CS..SBendtrans-66.8137.6169.6-92.976.4000110F541 R550F541-L545 HydrophobicContact CD1-CD1 3.87Å; F541-L545 HydrophobicContact CE1-CD1 3.52Å; F541-L545 HydrophobicContact CE2-CD1 4.28Å; F541-L545 HydrophobicContact CG-CD1 4.41Å; F541-L545 HydrophobicContact CZ-CD1 3.75Å; F541-L545 WeakPolarHBondContact O-CD1 3.4Å; F541-L545 PolarHBondContact O-N 3.48Å; L545-R550 HydrophobicContact CB-CG 4.27Å; L545-R550 HydrophobicContact CD2-CG 4.21Å
546S63.2Low62.9Low52 Ų5281.9 Ų81.936%0.36439%0.388SS..  trans-63149.5166.666.40000110.8Y548 E549 R550S546-Y548 PolarHBondContact O-N 3.5Å; S546-E549 PolarHBondContact N-OE2 2.86Å; S546-E549 PolarHBondContact O-N 3.33Å; S546-E549 VanDerWaalsContact O-N 3.13Å; S546-E549 WeakPolarHBondContact OG-CB 3.36Å; S546-E549 VanDerWaalsContact OG-CD 3.29Å; S546-E549 WeakPolarHBondContact OG-CG 3.49Å; S546-E549 PolarHBondContact OG-N 2.79Å; S546-E549 PolarHBondContact OG-OE2 3.48Å; S546-R550 PolarHBondContact O-N 3.2Å
547D54.4Low61Low86 Ų8687.5 Ų87.546%0.4641%0.406SS..Hα-helixtrans-61-33.3-179-72.6-40000111.9R550 Q551D547-R550 VanDerWaalsContact O-CB 3.27Å; D547-R550 WeakPolarHBondContact O-CB 3.22Å; D547-R550 PolarHBondContact O-N 3.04Å; D547-R550 IonicContact OD1-NH1 3.61Å; D547-Q551 WeakPolarHBondContact O-CB 3.4Å; D547-Q551 PolarHBondContact O-N 3.08Å; D547-Q551 PolarHBondContact O-OE1 2.97Å
548Y51.3Low58.7Low164 Ų16485.2 Ų85.264%0.64342%0.421SS*.Hα-helixtrans-64.1-45.1172.8178.3-101.6000113.3S546 R550 Q551 R552S546-Y548 PolarHBondContact O-N 3.5Å; Y548-R550 VanDerWaalsContact C-N 3.28Å; Y548-R550 PolarHBondContact O-N 2.94Å; Y548-Q551 WeakPolarHBondContact O-CB 3.3Å; Y548-Q551 PolarHBondContact O-N 2.72Å; Y548-Q551 VanDerWaalsContact O-N 3.17Å; Y548-R552 PolarHBondContact O-N 2.74Å
549E57.5Low57Low95 Ų9589.4 Ų89.444%0.44445%0.45SS..Hα-helixtrans-69.5-27.8176.3-70.9170.611800112.8S546 R553S546-E549 PolarHBondContact N-OE2 2.86Å; S546-E549 PolarHBondContact O-N 3.33Å; S546-E549 VanDerWaalsContact O-N 3.13Å; S546-E549 WeakPolarHBondContact OG-CB 3.36Å; S546-E549 VanDerWaalsContact OG-CD 3.29Å; S546-E549 WeakPolarHBondContact OG-CG 3.49Å; S546-E549 PolarHBondContact OG-N 2.79Å; S546-E549 PolarHBondContact OG-OE2 3.48Å; E549-R553 WeakPolarHBondContact O-CB 3.35Å; E549-R553 PolarHBondContact O-N 3.46Å
550R54.9Low55.1Low28 Ų2893.2 Ų93.211%0.10647%0.466CS..Hα-helixtrans-62.3-55.1164.8-107.8177.3-174.5165.77.2110Y542 L545 S546 D547 Y548 R552 R553 I554Y542-R550 PolarHBondContact O-NH2 3.02Å; L545-R550 HydrophobicContact CB-CG 4.27Å; L545-R550 HydrophobicContact CD2-CG 4.21Å; S546-R550 PolarHBondContact O-N 3.2Å; D547-R550 VanDerWaalsContact O-CB 3.27Å; D547-R550 WeakPolarHBondContact O-CB 3.22Å; D547-R550 PolarHBondContact O-N 3.04Å; D547-R550 IonicContact OD1-NH1 3.61Å; Y548-R550 VanDerWaalsContact C-N 3.28Å; Y548-R550 PolarHBondContact O-N 2.94Å; R550-R552 VanDerWaalsContact C-N 3.34Å; R550-R552 PolarHBondContact O-N 3.28Å; R550-R553 CarbonylContact O-C 3.25Å; R550-R553 PolarHBondContact O-N 2.87Å; R550-R553 VanDerWaalsContact O-N 3.16Å; R550-I554 HydrophobicContact CB-CD1 4.37Å; R550-I554 WeakPolarHBondContact O-CB 3.24Å; R550-I554 WeakPolarHBondContact O-CD1 3.43Å; R550-I554 WeakPolarHBondContact O-CG1 3.36Å; R550-I554 PolarHBondContact O-N 3.42Å
551Q51.3Low52.8Low76 Ų7689.6 Ų89.636%0.35547%0.47SS..Hα-helixtrans-52.7-49.1179.5-135.291-19.200111.8D547 Y548 R553 I554 N555D547-Q551 WeakPolarHBondContact O-CB 3.4Å; D547-Q551 PolarHBondContact O-N 3.08Å; D547-Q551 PolarHBondContact O-OE1 2.97Å; Y548-Q551 WeakPolarHBondContact O-CB 3.3Å; Y548-Q551 PolarHBondContact O-N 2.72Å; Y548-Q551 VanDerWaalsContact O-N 3.17Å; Q551-R553 VanDerWaalsContact C-N 3.35Å; Q551-R553 PolarHBondContact O-N 3.36Å; Q551-I554 WeakPolarHBondContact O-CA 3.29Å; Q551-I554 WeakPolarHBondContact O-CB 3.25Å; Q551-I554 PolarHBondContact O-N 2.91Å; Q551-N555 PolarHBondContact O-N 2.94Å
552R50.3Low50.8Low168 Ų16891.1 Ų91.163%0.63450%0.496SS*.Hα-helixtrans-64-38-179-166.2174.8-176.5-178.52.7112.3Y548 R550 I554 S556Y548-R552 PolarHBondContact O-N 2.74Å; R550-R552 VanDerWaalsContact C-N 3.34Å; R550-R552 PolarHBondContact O-N 3.28Å; R552-I554 VanDerWaalsContact C-N 3.3Å; R552-S556 PolarHBondContact O-N 3.23Å
553R50.8Low49.2Very low124 Ų12494.8 Ų94.847%0.46853%0.525SS..Hα-helixtrans-83.63.6172.3-78.1-166.8-86.2-171.2-13.4114.6E549 R550 Q551 Y557E549-R553 WeakPolarHBondContact O-CB 3.35Å; E549-R553 PolarHBondContact O-N 3.46Å; R550-R553 CarbonylContact O-C 3.25Å; R550-R553 PolarHBondContact O-N 2.87Å; R550-R553 VanDerWaalsContact O-N 3.16Å; Q551-R553 VanDerWaalsContact C-N 3.35Å; Q551-R553 PolarHBondContact O-N 3.36Å; R553-Y557 WeakPolarHBondContact O-CD2 3.31Å; R553-Y557 WeakPolarHBondContact O-CE2 3.22Å
554I49.5Very low47.4Very low41 Ų4198 Ų9821%0.2154%0.538CS..Hα-helixtrans-97.5-44.9170.2-76.9165000108.9V387 R550 Q551 R552 S556 Y557 F560V387-I554 HydrophobicContact CG2-CD1 4.37Å; R550-I554 HydrophobicContact CB-CD1 4.37Å; R550-I554 WeakPolarHBondContact O-CB 3.24Å; R550-I554 WeakPolarHBondContact O-CD1 3.43Å; R550-I554 WeakPolarHBondContact O-CG1 3.36Å; R550-I554 PolarHBondContact O-N 3.42Å; Q551-I554 WeakPolarHBondContact O-CA 3.29Å; Q551-I554 WeakPolarHBondContact O-CB 3.25Å; Q551-I554 PolarHBondContact O-N 2.91Å; R552-I554 VanDerWaalsContact C-N 3.3Å; I554-S556 PolarHBondContact O-N 2.84Å; I554-Y557 PolarHBondContact O-N 3.36Å; I554-F560 HydrophobicContact CG2-CB 4.26Å; I554-F560 HydrophobicContact CG2-CD2 3.57Å; I554-F560 HydrophobicContact CG2-CE2 3.97Å; I554-F560 HydrophobicContact CG2-CG 3.87Å
555N46.7Very low45.8Very low123 Ų12399.7 Ų99.766%0.65855%0.545SS*.Hα-helixtrans-66.9-33.2178.5-68.82.9000112.9Q551 Y557Q551-N555 PolarHBondContact O-N 2.94Å; N555-Y557 PolarHBondContact O-N 3.34Å
556S49.8Very low44.4Very low85 Ų85102.4 Ų102.459%0.59458%0.578SS**THydrogen-bonded Turntrans-70.32.2175.880.90000114.8R552 I554R552-S556 PolarHBondContact O-N 3.23Å; I554-S556 PolarHBondContact O-N 2.84Å
557Y44.8Very low42.8Very low136 Ų136105 Ų10553%0.53360%0.603SS.*SBendtrans-129.161.6176.1-64-101.8000108.6R553 I554 N555 T559R553-Y557 WeakPolarHBondContact O-CD2 3.31Å; R553-Y557 WeakPolarHBondContact O-CE2 3.22Å; I554-Y557 PolarHBondContact O-N 3.36Å; N555-Y557 PolarHBondContact O-N 3.34Å; Y557-T559 VanDerWaalsContact C-N 3.35Å; Y557-T559 PolarHBondContact O-N 3.07Å; Y557-T559 PolarHBondContact O-OG1 3.48Å; Y557-T559 VanDerWaalsContact O-OG1 3.12Å
558G36.3Very low41.4Very low74 Ų74105 Ų10576%0.76362%0.622SS**  trans-58.373.7-161.100000117.8
559T42.7Very low40.2Very low118 Ų118100.5 Ų100.572%0.72463%0.626SS**  trans-144.615178.543.80000114Y557 G561Y557-T559 VanDerWaalsContact C-N 3.35Å; Y557-T559 PolarHBondContact O-N 3.07Å; Y557-T559 PolarHBondContact O-OG1 3.48Å; Y557-T559 VanDerWaalsContact O-OG1 3.12Å; T559-G561 PolarHBondContact O-N 3.39Å
560F34.7Very low39.1Very low129 Ų129103.1 Ų103.157%0.56665%0.648SS**  trans-95.280.5-178.3-69.9-82.8000112.7I554I554-F560 HydrophobicContact CG2-CB 4.26Å; I554-F560 HydrophobicContact CG2-CD2 3.57Å; I554-F560 HydrophobicContact CG2-CE2 3.97Å; I554-F560 HydrophobicContact CG2-CG 3.87Å
561G31.5Very low38.1Very low69 Ų69106 Ų10671%0.71168%0.678SS**  trans-132.5117177.900000114.4T559T559-G561 PolarHBondContact O-N 3.39Å
562A29.8Very low37.5Very low105 Ų105107.5 Ų107.587%0.86869%0.692SS**  trans54.1111.3159.800000121.4
563S34.8Very low36.8Very low104 Ų104103.4 Ų103.473%0.72769%0.694SS**  16289.4106.2-162.80000116.3
564K30.1Very low35.9Very low174 Ų174104.1 Ų104.176%0.75770%0.701SS**  trans46.3130.8135.6-66.8177.8176.3178.10123.1K574K564-K574 PolarHBondContact O-NZ 3.43Å
565T36.1Very low35.3Very low121 Ų121107.3 Ų107.374%0.74271%0.713SS**  trans56.4138.4145.461.80000119.8K574T565-K574 WeakPolarHBondContact O-CE 3.38Å; T565-K574 PolarHBondContact O-NZ 2.91Å
566G31.5Very low34.9Very low78 Ų78111 Ų11180%0.80473%0.726SS**  cis136.81406.600000108.8
567A29.6Very low34.4Very low108 Ų108111.5 Ų111.589%0.89372%0.722SS**  cis-160.6178.1-9.200000110.7
568G26Very low34.3Very low84 Ų84109.6 Ų109.687%0.86673%0.727SS**SBendtrans91.396.116600000118.9
569G26.4Very low34.4Very low70 Ų70114.1 Ų114.172%0.72273%0.725SS**SBendtrans105.891.2169.700000116A571G569-A571 PolarHBondContact O-N 2.93Å
570V34.1Very low34.4Very low150 Ų150109.9 Ų109.991%0.90970%0.701SS**SBendtrans28.675.5171-165.70000115.1V572V570-V572 PolarHBondContact O-N 3.35Å
571A33.4Very low34.9Very low89 Ų89113.3 Ų113.374%0.73671%0.71SS**  trans-73.6120.8-159.200000116.3G569G569-A571 PolarHBondContact O-N 2.93Å
572V39.5Very low35.7Very low108 Ų108117.5 Ų117.566%0.65571%0.709SS**  trans-93.95.3167.51730000112.1V570 A584V570-V572 PolarHBondContact O-N 3.35Å; V572-A584 HydrophobicContact CG1-CB 4.46Å
573A33.8Very low36.7Very low81 Ų81119.2 Ų119.267%0.66970%0.697SS**  trans-85.9142.6-178.900000112.3
574K32Very low37.1Very low139 Ų139116.1 Ų116.160%0.60468%0.677SS**  cis-129.3124.58.4-65.3175.8177.7178.40110.4K564 T565K564-K574 PolarHBondContact O-NZ 3.43Å; T565-K574 WeakPolarHBondContact O-CE 3.38Å; T565-K574 PolarHBondContact O-NZ 2.91Å
575F38.5Very low38.3Very low109 Ų109110.5 Ų110.548%0.47866%0.663SS.*  trans-104.5120.7164-73.1-93000109.1D577 S580F575-D577 VanDerWaalsContact C-N 3.31Å; F575-S580 VanDerWaalsContact CB-CB 3.45Å; F575-S580 VanDerWaalsContact CB-OG 3.3Å; F575-S580 WeakPolarHBondContact CB-OG 3.37Å; F575-S580 WeakPolarHBondContact CD1-OG 3.39Å; F575-S580 WeakPolarHBondContact CD2-OG 3.46Å; F575-S580 WeakPolarHBondContact CG-OG 3.46Å
576Q37.6Very low39.3Very low199 Ų199110 Ų11093%0.9365%0.651SS**  trans-82.6-10.3-176.6-138.5156-31.200112.9
577D39.4Very low40.4Very low96 Ų96109.8 Ų109.851%0.51363%0.634SS.*SBendtrans-79.9129.9177.7-67.2-44.7000112.8F575 K579 S580F575-D577 VanDerWaalsContact C-N 3.31Å; D577-K579 PolarHBondContact O-N 3.46Å; D577-S580 PolarHBondContact O-N 3.27Å
578P41.5Very low42Very low97 Ų97110.9 Ų110.963%0.6362%0.62SS**Hα-helixtrans-62.7-18.5178.924.4-33.8000113.8
579K38.5Very low43.8Very low168 Ų168112.9 Ų112.973%0.7360%0.603SS**Hα-helixtrans-75.9-31.7175.8-67.2178.5-179.21730113D577D577-K579 PolarHBondContact O-N 3.46Å
580S43.3Very low45.7Very low29 Ų29113.5 Ų113.520%0.20359%0.589CS.*Hα-helixtrans-75.7-36.4178.4-170.70000112F575 D577 K582 F583 A584F575-S580 VanDerWaalsContact CB-CB 3.45Å; F575-S580 VanDerWaalsContact CB-OG 3.3Å; F575-S580 WeakPolarHBondContact CB-OG 3.37Å; F575-S580 WeakPolarHBondContact CD1-OG 3.39Å; F575-S580 WeakPolarHBondContact CD2-OG 3.46Å; F575-S580 WeakPolarHBondContact CG-OG 3.46Å; D577-S580 PolarHBondContact O-N 3.27Å; S580-K582 VanDerWaalsContact C-N 3.25Å; S580-K582 PolarHBondContact O-N 2.86Å; S580-F583 PolarHBondContact O-N 3.35Å; S580-A584 PolarHBondContact O-N 3.43Å
581R45.9Very low47.1Very low202 Ų202109.7 Ų109.776%0.76257%0.569SS**Hα-helixtrans-53.4-40.5171.4-105.6-178.1173.6177.5-1.6112.7A584 A585R581-A584 PolarHBondContact O-N 2.79Å; R581-A585 WeakPolarHBondContact O-CB 3.34Å; R581-A585 PolarHBondContact O-N 2.69Å
582K48Very low48.8Very low157 Ų157110 Ų11068%0.68356%0.558SS**Hα-helixtrans-63.7-39.5177-67.5179.4-178.6-179.10112.2S580 F586S580-K582 VanDerWaalsContact C-N 3.25Å; S580-K582 PolarHBondContact O-N 2.86Å; K582-F586 VanDerWaalsContact O-CB 3.29Å; K582-F586 WeakPolarHBondContact O-CB 3.49Å; K582-F586 PolarHBondContact O-N 2.82Å
583F49.5Very low50.1Low141 Ų141108.9 Ų108.962%0.61855%0.545SS*.Hα-helixtrans-70.8-42.8177.2-173.5-101.6000112.2S580 F586 V587S580-F583 PolarHBondContact O-N 3.35Å; F583-F586 PolarHBondContact O-N 2.8Å; F583-V587 HydrophobicContact CD1-CG2 4.2Å; F583-V587 HydrophobicContact CE1-CG2 3.81Å; F583-V587 HydrophobicContact CE2-CG2 4.41Å; F583-V587 HydrophobicContact CZ-CG2 3.93Å; F583-V587 WeakPolarHBondContact O-CG2 3.4Å; F583-V587 PolarHBondContact O-N 2.86Å
584A45Very low51.9Low38 Ų38108 Ų10831%0.31453%0.531SS..Hα-helixtrans-60.8-47.1175.500000112V572 S580 R581 F586 V587 E588V572-A584 HydrophobicContact CG1-CB 4.46Å; S580-A584 PolarHBondContact O-N 3.43Å; R581-A584 PolarHBondContact O-N 2.79Å; A584-F586 VanDerWaalsContact C-N 3.31Å; A584-F586 PolarHBondContact O-N 3.46Å; A584-V587 PolarHBondContact O-N 3.22Å; A584-E588 WeakPolarHBondContact O-CB 3.13Å; A584-E588 PolarHBondContact O-N 2.91Å
585A54.1Low53.7Low56 Ų56101.6 Ų101.646%0.46350%0.504SS..Hα-helixtrans-64.5-32.8175.700000112.8R581 Y589R581-A585 WeakPolarHBondContact O-CB 3.34Å; R581-A585 PolarHBondContact O-N 2.69Å; A585-Y589 VanDerWaalsContact O-CB 3.24Å; A585-Y589 WeakPolarHBondContact O-CB 3.43Å; A585-Y589 PolarHBondContact O-N 2.9Å
586F57.3Low55.4Low112 Ų11298.8 Ų98.849%0.49150%0.495SS..Hα-helixtrans-67.2-44.3172.9175.1-99.5000112.1K582 F583 A584 E588 Y589 L590K582-F586 VanDerWaalsContact O-CB 3.29Å; K582-F586 WeakPolarHBondContact O-CB 3.49Å; K582-F586 PolarHBondContact O-N 2.82Å; F583-F586 PolarHBondContact O-N 2.8Å; A584-F586 VanDerWaalsContact C-N 3.31Å; A584-F586 PolarHBondContact O-N 3.46Å; F586-E588 VanDerWaalsContact C-N 3.34Å; F586-Y589 PolarHBondContact O-N 3.27Å; F586-L590 HydrophobicContact CE1-CD2 4.33Å; F586-L590 VanDerWaalsContact O-CB 3.23Å; F586-L590 WeakPolarHBondContact O-CB 3.47Å; F586-L590 PolarHBondContact O-N 3.48Å
587V55Low57.4Low73 Ų7395.6 Ų95.644%0.44248%0.476SS..Hα-helixtrans-64.6-38.5176.1172.20000111.2F583 A584 S591F583-V587 HydrophobicContact CD1-CG2 4.2Å; F583-V587 HydrophobicContact CE1-CG2 3.81Å; F583-V587 HydrophobicContact CE2-CG2 4.41Å; F583-V587 HydrophobicContact CZ-CG2 3.93Å; F583-V587 WeakPolarHBondContact O-CG2 3.4Å; F583-V587 PolarHBondContact O-N 2.86Å; A584-V587 PolarHBondContact O-N 3.22Å; V587-S591 WeakPolarHBondContact O-CB 3.48Å; V587-S591 PolarHBondContact O-N 3.21Å
588E63.3Low59.5Low130 Ų13092.2 Ų92.261%0.60746%0.457SS*.Hα-helixtrans-67.7-44.2174.9-172.3177-176.100112.5A584 F586 S591 N592A584-E588 WeakPolarHBondContact O-CB 3.13Å; A584-E588 PolarHBondContact O-N 2.91Å; F586-E588 VanDerWaalsContact C-N 3.34Å; E588-S591 PolarHBondContact O-N 3.34Å; E588-N592 WeakPolarHBondContact O-CB 3.4Å; E588-N592 PolarHBondContact O-N 3.35Å
589Y64.5Low61.5Low126 Ų12688 Ų8849%0.49443%0.429SS..Hα-helixtrans-59.6-46.9172.9171.8-95.6000111.6A585 F586 N592 K593A585-Y589 VanDerWaalsContact O-CB 3.24Å; A585-Y589 WeakPolarHBondContact O-CB 3.43Å; A585-Y589 PolarHBondContact O-N 2.9Å; F586-Y589 PolarHBondContact O-N 3.27Å; Y589-N592 PolarHBondContact O-N 2.99Å; Y589-K593 HydrophobicContact CD1-CG 4.31Å; Y589-K593 HydrophobicContact CD2-CG 4.29Å; Y589-K593 HydrophobicContact CE1-CG 3.89Å; Y589-K593 HydrophobicContact CE2-CD 4.32Å; Y589-K593 VanDerWaalsContact CE2-CE 3.45Å; Y589-K593 HydrophobicContact CE2-CG 3.88Å; Y589-K593 HydrophobicContact CG-CG 4.49Å; Y589-K593 WeakPolarHBondContact O-CB 3.37Å; Y589-K593 WeakPolarHBondContact O-CG 3.09Å; Y589-K593 PolarHBondContact O-N 3.4Å; Y589-K593 WeakPolarHBondContact OH-CE 3.31Å
590L65.2Low63.7Low83 Ų8385.8 Ų85.844%0.43542%0.419SS..Hα-helixtrans-63.8-44.6179.1-175.370.7000110.8F586 K593 V594F586-L590 HydrophobicContact CE1-CD2 4.33Å; F586-L590 VanDerWaalsContact O-CB 3.23Å; F586-L590 WeakPolarHBondContact O-CB 3.47Å; F586-L590 PolarHBondContact O-N 3.48Å; L590-K593 PolarHBondContact O-N 2.58Å; L590-V594 HydrophobicContact CD1-CG2 4.3Å; L590-V594 HydrophobicContact CG-CG2 4.3Å; L590-V594 WeakPolarHBondContact O-CB 3.39Å; L590-V594 VanDerWaalsContact O-CG2 3.25Å; L590-V594 WeakPolarHBondContact O-CG2 3.38Å; L590-V594 PolarHBondContact O-N 3.24Å
591S63.5Low65.6Low71 Ų7187.7 Ų87.750%0.49743%0.43SS..Hα-helixtrans-57.6-50.1175.3-176.10000111.8V587 E588 K593 V594 S595V587-S591 WeakPolarHBondContact O-CB 3.48Å; V587-S591 PolarHBondContact O-N 3.21Å; E588-S591 PolarHBondContact O-N 3.34Å; S591-K593 PolarHBondContact O-N 3.18Å; S591-V594 PolarHBondContact O-N 3.18Å; S591-S595 WeakPolarHBondContact O-CB 3.36Å; S591-S595 PolarHBondContact O-N 3.22Å
592N68.8Low67.6Low94 Ų9478.1 Ų78.150%0.50339%0.393SS..Hα-helixtrans-61.5-43.1176-90-40.4000112.2E588 Y589 S595 V596E588-N592 WeakPolarHBondContact O-CB 3.4Å; E588-N592 PolarHBondContact O-N 3.35Å; Y589-N592 PolarHBondContact O-N 2.99Å; N592-S595 PolarHBondContact O-N 3.14Å; N592-S595 PolarHBondContact O-OG 3.3Å; N592-V596 PolarHBondContact O-N 3.5Å
593K67.7Low69.3Low86 Ų8671.6 Ų71.637%0.37437%0.368SS..Hα-helixtrans-67.1-44.1178.2-73.4-61.9-171.8-178.50112.9Y589 L590 S591 S595 V596 Y597Y589-K593 HydrophobicContact CD1-CG 4.31Å; Y589-K593 HydrophobicContact CD2-CG 4.29Å; Y589-K593 HydrophobicContact CE1-CG 3.89Å; Y589-K593 HydrophobicContact CE2-CD 4.32Å; Y589-K593 VanDerWaalsContact CE2-CE 3.45Å; Y589-K593 HydrophobicContact CE2-CG 3.88Å; Y589-K593 HydrophobicContact CG-CG 4.49Å; Y589-K593 WeakPolarHBondContact O-CB 3.37Å; Y589-K593 WeakPolarHBondContact O-CG 3.09Å; Y589-K593 PolarHBondContact O-N 3.4Å; Y589-K593 WeakPolarHBondContact OH-CE 3.31Å; L590-K593 PolarHBondContact O-N 2.58Å; S591-K593 PolarHBondContact O-N 3.18Å; K593-S595 VanDerWaalsContact C-N 3.27Å; K593-S595 PolarHBondContact O-N 3.01Å; K593-V596 PolarHBondContact O-N 3.49Å; K593-Y597 HydrophobicContact CD-CE2 4.26Å; K593-Y597 VanDerWaalsContact O-CD2 3.23Å; K593-Y597 WeakPolarHBondContact O-CD2 3.24Å; K593-Y597 PolarHBondContact O-N 2.65Å
594V71.2Confident71Confident62 Ų6269.1 Ų69.138%0.37636%0.364SS..Hα-helixtrans-57.9-43.4174.4169.50000109.9L590 S591 V596 Y597 F598 F723L590-V594 HydrophobicContact CD1-CG2 4.3Å; L590-V594 HydrophobicContact CG-CG2 4.3Å; L590-V594 WeakPolarHBondContact O-CB 3.39Å; L590-V594 VanDerWaalsContact O-CG2 3.25Å; L590-V594 WeakPolarHBondContact O-CG2 3.38Å; L590-V594 PolarHBondContact O-N 3.24Å; S591-V594 PolarHBondContact O-N 3.18Å; V594-V596 VanDerWaalsContact C-N 3.26Å; V594-V596 PolarHBondContact O-N 3.02Å; V594-Y597 PolarHBondContact O-N 3.03Å; V594-F598 HydrophobicContact CG1-CD2 4.31Å; V594-F598 WeakPolarHBondContact O-CB 3.36Å; V594-F598 PolarHBondContact O-N 3.15Å; V594-F723 HydrophobicContact CG1-CE1 4.12Å; V594-F723 HydrophobicContact CG1-CZ 4.06Å
595S70.3Confident73Confident5 Ų569 Ų694%0.03536%0.359CS..Hα-helixtrans-62.1-2817982.30000114.9S591 N592 K593 P726S591-S595 WeakPolarHBondContact O-CB 3.36Å; S591-S595 PolarHBondContact O-N 3.22Å; N592-S595 PolarHBondContact O-N 3.14Å; N592-S595 PolarHBondContact O-OG 3.3Å; K593-S595 VanDerWaalsContact C-N 3.27Å; K593-S595 PolarHBondContact O-N 3.01Å; S595-P726 WeakPolarHBondContact OG-CB 3.41Å
596V74.1Confident74.7Confident50 Ų5066.3 Ų66.330%0.30334%0.337SS..Hα-helixtrans-81.8-34.6177.5171.90000111.7N592 K593 V594 A730N592-V596 PolarHBondContact O-N 3.5Å; K593-V596 PolarHBondContact O-N 3.49Å; V594-V596 VanDerWaalsContact C-N 3.26Å; V594-V596 PolarHBondContact O-N 3.02Å; V596-A730 HydrophobicContact CG2-CB 4.09Å
597Y80Confident76.2Confident132 Ų13262.3 Ų62.352%0.51832%0.321SS..Hα-helixtrans-96.4-10.7-174.8-65.4-57.8000114.9K593 V594 I599 F600K593-Y597 HydrophobicContact CD-CE2 4.26Å; K593-Y597 VanDerWaalsContact O-CD2 3.23Å; K593-Y597 WeakPolarHBondContact O-CD2 3.24Å; K593-Y597 PolarHBondContact O-N 2.65Å; V594-Y597 PolarHBondContact O-N 3.03Å; Y597-I599 PolarHBondContact O-N 2.63Å; Y597-F600 HydrophobicContact CD1-CD2 4.14Å; Y597-F600 HydrophobicContact CD1-CE2 4.04Å; Y597-F600 PolarHBondContact O-N 2.7Å
598F83.4Confident77.6Confident25 Ų2562.3 Ų62.311%0.1132%0.32CS..Hα-helixtrans-56.8-27.8-176.9-157.6-93.3000113.7V594 F600 V601 V602 V715 L718 Q719 F723V594-F598 HydrophobicContact CG1-CD2 4.31Å; V594-F598 WeakPolarHBondContact O-CB 3.36Å; V594-F598 PolarHBondContact O-N 3.15Å; F598-F600 PolarHBondContact O-N 3.45Å; F598-V601 WeakPolarHBondContact O-CA 3.25Å; F598-V601 WeakPolarHBondContact O-CB 3.17Å; F598-V601 PolarHBondContact O-N 3.47Å; F598-V602 HydrophobicContact CD1-CG2 3.77Å; F598-V602 HydrophobicContact CE1-CG2 3.86Å; F598-V602 PolarHBondContact O-N 3.41Å; F598-V602 VanDerWaalsContact O-N 3.11Å; F598-V715 HydrophobicContact CE1-CG1 4.08Å; F598-V715 HydrophobicContact CZ-CG1 4.26Å; F598-L718 HydrophobicContact CE1-CB 4.24Å; F598-L718 HydrophobicContact CZ-CB 3.96Å; F598-L718 HydrophobicContact CZ-CD1 4.47Å; F598-Q719 HydrophobicContact CD1-CB 3.9Å; F598-Q719 HydrophobicContact CE1-CB 3.93Å; F598-F723 HydrophobicContact CB-CB 4.08Å; F598-F723 HydrophobicContact CB-CD2 3.9Å; F598-F723 HydrophobicContact CB-CG 4.05Å; F598-F723 AromaticContact CD1-CD2 3.57Å; F598-F723 HydrophobicContact CD1-CD2 3.57Å; F598-F723 HydrophobicContact CD1-CE2 4.2Å; F598-F723 HydrophobicContact CD1-CG 4.4Å; F598-F723 AromaticContact CD2-CD2 3.54Å; F598-F723 HydrophobicContact CD2-CD2 3.54Å; F598-F723 AromaticContact CD2-CE2 3.44Å; F598-F723 HydrophobicContact CD2-CE2 3.44Å; F598-F723 VanDerWaalsContact CD2-CE2 3.44Å; F598-F723 HydrophobicContact CD2-CG 4.4Å; F598-F723 HydrophobicContact CD2-CZ 4.23Å; F598-F723 AromaticContact CE1-CD2 3.89Å; F598-F723 HydrophobicContact CE1-CD2 3.89Å; F598-F723 HydrophobicContact CE1-CE2 4.22Å; F598-F723 AromaticContact CE2-CD2 3.87Å; F598-F723 HydrophobicContact CE2-CD2 3.87Å; F598-F723 AromaticContact CE2-CE2 3.47Å; F598-F723 HydrophobicContact CE2-CE2 3.47Å; F598-F723 VanDerWaalsContact CE2-CE2 3.47Å; F598-F723 HydrophobicContact CE2-CZ 4.4Å; F598-F723 HydrophobicContact CG-CB 4.38Å; F598-F723 AromaticContact CG-CD2 3.37Å; F598-F723 HydrophobicContact CG-CD2 3.37Å; F598-F723 AromaticContact CG-CE2 3.82Å; F598-F723 HydrophobicContact CG-CE2 3.82Å; F598-F723 HydrophobicContact CG-CG 4.04Å; F598-F723 HydrophobicContact CZ-CD2 4.03Å; F598-F723 AromaticContact CZ-CE2 3.87Å; F598-F723 HydrophobicContact CZ-CE2 3.87Å
599I83.6Confident78.6Confident9 Ų956.4 Ų56.45%0.04629%0.293CS..Hα-helixtrans-58.4-32.3176.6-161.6166.5000113.4Y597 S603 Y640 W648 W727Y597-I599 PolarHBondContact O-N 2.63Å; I599-S603 PolarHBondContact O-N 3.32Å; I599-S603 VanDerWaalsContact O-N 3.1Å; I599-Y640 WeakPolarHBondContact CD1-OH 3.45Å; I599-W648 HydrophobicContact CD1-CZ2 4.13Å; I599-W648 HydrophobicContact CG1-CZ2 3.75Å; I599-W727 HydrophobicContact CD1-CD2 4.15Å; I599-W727 HydrophobicContact CD1-CH2 4.08Å; I599-W727 HydrophobicContact CD1-CZ2 3.54Å
600F83.3Confident79.6Confident120 Ų12050.4 Ų50.453%0.52627%0.27SS..Hα-helixtrans-70.6-37.2174.4-65-71.6000111.4Y597 F598 V602 S603 V604Y597-F600 HydrophobicContact CD1-CD2 4.14Å; Y597-F600 HydrophobicContact CD1-CE2 4.04Å; Y597-F600 PolarHBondContact O-N 2.7Å; F598-F600 PolarHBondContact O-N 3.45Å; F600-V602 PolarHBondContact O-N 2.89Å; F600-S603 PolarHBondContact O-N 3.39Å; F600-V604 WeakPolarHBondContact O-CG2 3.46Å; F600-V604 PolarHBondContact O-N 3.28Å
601V83.9Confident80.3Confident70 Ų7046.4 Ų46.442%0.42425%0.249SC..Hα-helixtrans-60.5-46.7175.2-176.50000110.2F598 S603 V604 V605F598-V601 WeakPolarHBondContact O-CA 3.25Å; F598-V601 WeakPolarHBondContact O-CB 3.17Å; F598-V601 PolarHBondContact O-N 3.47Å; V601-S603 VanDerWaalsContact C-N 3.34Å; V601-S603 PolarHBondContact O-N 2.97Å; V601-V604 PolarHBondContact O-N 3.38Å; V601-V605 HydrophobicContact CG1-CG2 4.44Å; V601-V605 WeakPolarHBondContact O-CG2 3.38Å; V601-V605 PolarHBondContact O-N 2.92Å
602V87.1Confident81Confident0 Ų045.4 Ų45.40%024%0.241CC..Hα-helixtrans-62.2-42.1176.9-165.40000111.5F598 F600 V604 V605 L606 W648 V715 T716 Q719F598-V602 HydrophobicContact CD1-CG2 3.77Å; F598-V602 HydrophobicContact CE1-CG2 3.86Å; F598-V602 PolarHBondContact O-N 3.41Å; F598-V602 VanDerWaalsContact O-N 3.11Å; F600-V602 PolarHBondContact O-N 2.89Å; V602-V604 VanDerWaalsContact C-N 3.31Å; V602-V604 PolarHBondContact O-N 3.02Å; V602-V605 PolarHBondContact O-N 3.31Å; V602-L606 WeakPolarHBondContact O-CB 3.49Å; V602-L606 PolarHBondContact O-N 3.14Å; V602-W648 HydrophobicContact CB-CH2 4.1Å; V602-W648 HydrophobicContact CB-CZ3 4.01Å; V602-W648 HydrophobicContact CG1-CE3 3.7Å; V602-W648 HydrophobicContact CG1-CH2 3.91Å; V602-W648 HydrophobicContact CG1-CZ3 3.3Å; V602-V715 HydrophobicContact CB-CG1 4.43Å; V602-V715 HydrophobicContact CG1-CG1 4.46Å; V602-V715 HydrophobicContact CG2-CG1 3.99Å; V602-T716 HydrophobicContact CG1-CG2 3.92Å; V602-Q719 HydrophobicContact CG2-CB 3.81Å; V602-Q719 HydrophobicContact CG2-CG 3.99Å
603S85.2Confident81.3Confident21 Ų2143.7 Ų43.715%0.14723%0.23CC..Hα-helixtrans-68.2-27.7178.7-163.40000113.8I599 F600 V601 L607 W626I599-S603 PolarHBondContact O-N 3.32Å; I599-S603 VanDerWaalsContact O-N 3.1Å; F600-S603 PolarHBondContact O-N 3.39Å; V601-S603 VanDerWaalsContact C-N 3.34Å; V601-S603 PolarHBondContact O-N 2.97Å; S603-L607 PolarHBondContact O-N 2.91Å; S603-W626 PolarHBondContact O-NE1 2.99Å
604V85.3Confident81.5Confident89 Ų8942.5 Ų42.554%0.53924%0.236SC..Hα-helixtrans-77.3-45.4173.9168.50000110.7F600 V601 V602 L606 L607 V608F600-V604 WeakPolarHBondContact O-CG2 3.46Å; F600-V604 PolarHBondContact O-N 3.28Å; V601-V604 PolarHBondContact O-N 3.38Å; V602-V604 VanDerWaalsContact C-N 3.31Å; V602-V604 PolarHBondContact O-N 3.02Å; V604-L606 VanDerWaalsContact C-N 3.26Å; V604-L606 PolarHBondContact O-N 3.45Å; V604-L607 WeakPolarHBondContact O-CB 3.09Å; V604-L607 PolarHBondContact O-N 3.43Å; V604-L607 VanDerWaalsContact O-N 3.08Å; V604-V608 HydrophobicContact CG1-CG2 4.36Å; V604-V608 WeakPolarHBondContact O-CG2 3.34Å; V604-V608 PolarHBondContact O-N 3.1Å
605V86.7Confident81.8Confident35 Ų3540.7 Ų40.721%0.21223%0.225CC..Hα-helixtrans-61-37.7176.5176.80000110.9V601 V602 V608 V609 L712 V715V601-V605 HydrophobicContact CG1-CG2 4.44Å; V601-V605 WeakPolarHBondContact O-CG2 3.38Å; V601-V605 PolarHBondContact O-N 2.92Å; V602-V605 PolarHBondContact O-N 3.31Å; V605-V608 PolarHBondContact O-N 2.94Å; V605-V609 HydrophobicContact CG1-CG2 4.34Å; V605-V609 WeakPolarHBondContact O-CB 3.35Å; V605-V609 VanDerWaalsContact O-CG2 3.28Å; V605-V609 WeakPolarHBondContact O-CG2 3.33Å; V605-V609 PolarHBondContact O-N 3.08Å; V605-L712 HydrophobicContact CG1-CB 4.44Å; V605-L712 HydrophobicContact CG1-CD1 3.94Å; V605-V715 HydrophobicContact CG2-CG1 4.5Å
606L89.2Confident82.3Confident0 Ų041.9 Ų41.90%023%0.231CC..Hα-helixtrans-62.7-40.8173-176.563.5000112.7V602 V604 S610 F622 W626 F647 L651 L712V602-L606 WeakPolarHBondContact O-CB 3.49Å; V602-L606 PolarHBondContact O-N 3.14Å; V604-L606 VanDerWaalsContact C-N 3.26Å; V604-L606 PolarHBondContact O-N 3.45Å; L606-S610 WeakPolarHBondContact O-CB 3.38Å; L606-S610 PolarHBondContact O-N 3.17Å; L606-S610 VanDerWaalsContact O-N 3.13Å; L606-S610 PolarHBondContact O-OG 3.06Å; L606-F622 HydrophobicContact CD1-CB 4.19Å; L606-F622 HydrophobicContact CD1-CD1 3.76Å; L606-F622 HydrophobicContact CD1-CG 4.37Å; L606-W626 HydrophobicContact CD2-CB 4.01Å; L606-W626 HydrophobicContact CG-CB 4.2Å; L606-F647 HydrophobicContact CD2-CE1 4.47Å; L606-F647 HydrophobicContact CD2-CZ 4.24Å; L606-L651 HydrophobicContact CD1-CD1 3.97Å; L606-L651 HydrophobicContact CD1-CD2 4.24Å; L606-L651 HydrophobicContact CD2-CD2 4.5Å; L606-L712 HydrophobicContact CD1-CD2 4.35Å
607L88.1Confident82.9Confident28 Ų2843.6 Ų43.615%0.14724%0.235CC..Hα-helixtrans-65.3-45.4175.5-179.161.1000111.5S603 V604 S610 T611 F623 W626 I899S603-L607 PolarHBondContact O-N 2.91Å; V604-L607 WeakPolarHBondContact O-CB 3.09Å; V604-L607 PolarHBondContact O-N 3.43Å; V604-L607 VanDerWaalsContact O-N 3.08Å; L607-S610 WeakPolarHBondContact CA-OG 3.48Å; L607-S610 PolarHBondContact O-N 3.03Å; L607-S610 PolarHBondContact O-OG 3.44Å; L607-T611 HydrophobicContact CD1-CG2 3.96Å; L607-T611 PolarHBondContact O-N 3.25Å; L607-T611 VanDerWaalsContact O-N 3.12Å; L607-T611 PolarHBondContact O-OG1 2.87Å; L607-F623 HydrophobicContact CD1-CD2 4.46Å; L607-F623 HydrophobicContact CD1-CE2 4.31Å; L607-W626 HydrophobicContact CD1-CD2 3.98Å; L607-W626 HydrophobicContact CD1-CE3 4.21Å; L607-W626 HydrophobicContact CD1-CG 4.49Å; L607-W626 HydrophobicContact CD1-CH2 4.28Å; L607-W626 HydrophobicContact CD1-CZ2 4.03Å; L607-W626 HydrophobicContact CD1-CZ3 4.36Å; L607-W626 HydrophobicContact CD2-CZ2 3.94Å; L607-W626 HydrophobicContact CG-CZ2 4.48Å; L607-I899 HydrophobicContact CD1-CD1 4.41Å; L607-I899 HydrophobicContact CD2-CG2 4.29Å
608V85.1Confident83.2Confident72 Ų7238.8 Ų38.844%0.43622%0.216SC..Hα-helixtrans-59-50.6177.8169.80000110.8V604 V605 S610 T611 C612V604-V608 HydrophobicContact CG1-CG2 4.36Å; V604-V608 WeakPolarHBondContact O-CG2 3.34Å; V604-V608 PolarHBondContact O-N 3.1Å; V605-V608 PolarHBondContact O-N 2.94Å; V608-S610 PolarHBondContact O-N 2.88Å; V608-T611 PolarHBondContact O-N 3.42Å; V608-C612 WeakPolarHBondContact O-CB 3.33Å; V608-C612 PolarHBondContact O-N 3.22Å
609V84.1Confident83.3Confident6 Ų637.6 Ų37.64%0.03621%0.211CC..Hα-helixtrans-61.2-30.2178.2173.80000112.2V605 N619 F622 A708 L712V605-V609 HydrophobicContact CG1-CG2 4.34Å; V605-V609 WeakPolarHBondContact O-CB 3.35Å; V605-V609 VanDerWaalsContact O-CG2 3.28Å; V605-V609 WeakPolarHBondContact O-CG2 3.33Å; V605-V609 PolarHBondContact O-N 3.08Å; V609-N619 PolarHBondContact O-OD1 2.84Å; V609-F622 HydrophobicContact CG1-CD2 4.02Å; V609-F622 HydrophobicContact CG1-CE2 4.07Å; V609-A708 HydrophobicContact CG2-CB 4.35Å; V609-L712 HydrophobicContact CG1-CD2 4.28Å; V609-L712 HydrophobicContact CG2-CB 4.41Å; V609-L712 HydrophobicContact CG2-CD2 4.49Å
610S85.1Confident83.5Confident0 Ų038.3 Ų38.30%021%0.214CC..Hα-helixtrans-85.4-11178.862.30000115.8L606 L607 V608L606-S610 WeakPolarHBondContact O-CB 3.38Å; L606-S610 PolarHBondContact O-N 3.17Å; L606-S610 VanDerWaalsContact O-N 3.13Å; L606-S610 PolarHBondContact O-OG 3.06Å; L607-S610 WeakPolarHBondContact CA-OG 3.48Å; L607-S610 PolarHBondContact O-N 3.03Å; L607-S610 PolarHBondContact O-OG 3.44Å; V608-S610 PolarHBondContact O-N 2.88Å
611T81Confident83.8Confident0 Ų036.5 Ų36.50%021%0.21CC..Hα-helixtrans-125.7-18.4-172.752.60000115.5L607 V608 F623 P891L607-T611 HydrophobicContact CD1-CG2 3.96Å; L607-T611 PolarHBondContact O-N 3.25Å; L607-T611 VanDerWaalsContact O-N 3.12Å; L607-T611 PolarHBondContact O-OG1 2.87Å; V608-T611 PolarHBondContact O-N 3.42Å; T611-F623 HydrophobicContact CG2-CD2 4.19Å; T611-F623 HydrophobicContact CG2-CE2 4.39Å; T611-P891 WeakPolarHBondContact O-CD 3.36Å
612C78Confident84.1Confident50 Ų5033.2 Ų33.234%0.33819%0.19SC..SBendtrans-87.2-4.6179.2-67.80000114.8V608V608-C612 WeakPolarHBondContact O-CB 3.33Å; V608-C612 PolarHBondContact O-N 3.22Å
613F74.6Confident84.2Confident58 Ų5833.3 Ų33.325%0.25419%0.19SC..SBendtrans-117.2159.4177.3-62.5-69.6000110.2N619 A708F613-N619 WeakPolarHBondContact CB-ND2 3.27Å; F613-A708 HydrophobicContact CE2-CB 3.48Å; F613-A708 VanDerWaalsContact CE2-CB 3.48Å; F613-A708 HydrophobicContact CZ-CB 3.51Å
614A72.8Confident84.3Confident61 Ų6133.9 Ų33.950%0.50420%0.196SC..  trans-51.7146.8174.600000111.7N616 N619A614-N616 PolarHBondContact O-N 3.37Å; A614-N619 PolarHBondContact O-ND2 3.12Å
615P76.7Confident84.5Confident24 Ų2431.6 Ų31.616%0.15618%0.181CC..  trans-73.966.2-172.230.9-36.1000113.5I620 Q850 L851P615-I620 HydrophobicContact CB-CG1 4.46Å; P615-Q850 HydrophobicContact CG-CB 3.82Å; P615-L851 WeakPolarHBondContact O-CD2 3.41Å
616N82.2Confident84.7Confident30 Ų3030.2 Ų30.216%0.1617%0.172CC..  trans-75.4159.5171.8-59.1-14.4000110.9A614 Y618 N619 I620A614-N616 PolarHBondContact O-N 3.37Å; N616-Y618 VanDerWaalsContact C-N 3.26Å; N616-Y618 HydrophobicContact CB-CD1 4.3Å; N616-Y618 HydrophobicContact CB-CE1 4.17Å; N616-Y618 PolarHBondContact O-N 3.01Å; N616-Y618 VanDerWaalsContact O-N 3.13Å; N616-N619 PolarHBondContact O-N 2.92Å; N616-I620 PolarHBondContact O-N 3.42Å
617F85.3Confident84.5Confident85 Ų8530.4 Ų30.437%0.37317%0.173SC..Hα-helixtrans-52.5-38.6179.1-83-73000114L621 W684 A687 I688 I853F617-L621 WeakPolarHBondContact O-CB 3.28Å; F617-L621 PolarHBondContact O-N 3.16Å; F617-W684 HydrophobicContact CE2-CE3 4.48Å; F617-W684 HydrophobicContact CE2-CZ3 4.02Å; F617-W684 HydrophobicContact CZ-CZ3 4.18Å; F617-A687 HydrophobicContact CD2-CB 4.36Å; F617-A687 VanDerWaalsContact CD2-O 3.32Å; F617-A687 WeakPolarHBondContact CD2-O 3.45Å; F617-A687 HydrophobicContact CE2-CB 4.16Å; F617-A687 PolarHBondContact N-O 3.39Å; F617-A687 VanDerWaalsContact N-O 3.08Å; F617-I688 HydrophobicContact CD2-CG1 4.28Å; F617-I853 HydrophobicContact CE2-CD1 4.27Å
618Y85.9Confident84.4Confident31 Ų3132.1 Ų32.112%0.12218%0.182CC..Hα-helixtrans-70.4-32177.367.1-108.9000113.4N616 L621 F622 Y654 I688N616-Y618 VanDerWaalsContact C-N 3.26Å; N616-Y618 HydrophobicContact CB-CD1 4.3Å; N616-Y618 HydrophobicContact CB-CE1 4.17Å; N616-Y618 PolarHBondContact O-N 3.01Å; N616-Y618 VanDerWaalsContact O-N 3.13Å; Y618-L621 PolarHBondContact O-N 3.46Å; Y618-F622 HydrophobicContact CD2-CD2 4.28Å; Y618-F622 HydrophobicContact CD2-CE2 4.04Å; Y618-F622 WeakPolarHBondContact O-CD2 3.4Å; Y618-F622 PolarHBondContact O-N 3.45Å; Y618-Y654 WeakPolarHBondContact CA-OH 3.48Å; Y618-Y654 WeakPolarHBondContact CB-OH 3.38Å; Y618-I688 WeakPolarHBondContact CD1-O 3.06Å
619N86.4Confident84.5Confident1 Ų129 Ų291%0.00516%0.163CC..Hα-helixtrans-73.4-42.4176.9-70.6-29.6000111.6V609 F613 A614 N616 L621 F622 F623V609-N619 PolarHBondContact O-OD1 2.84Å; F613-N619 WeakPolarHBondContact CB-ND2 3.27Å; A614-N619 PolarHBondContact O-ND2 3.12Å; N616-N619 PolarHBondContact O-N 2.92Å; N619-L621 VanDerWaalsContact C-N 3.25Å; N619-L621 PolarHBondContact O-N 3.48Å; N619-F622 PolarHBondContact O-N 2.88Å; N619-F622 VanDerWaalsContact O-N 3.17Å; N619-F623 PolarHBondContact O-N 2.92Å
620I87.5Confident84.6Confident23 Ų2329.9 Ų29.912%0.11817%0.167CC..Hα-helixtrans-59-39.5171.5-63.4171.6000110.1P615 N616 F623 A624 M847 L851P615-I620 HydrophobicContact CB-CG1 4.46Å; N616-I620 PolarHBondContact O-N 3.42Å; I620-F623 PolarHBondContact O-N 3.18Å; I620-A624 WeakPolarHBondContact O-CB 3.32Å; I620-A624 PolarHBondContact O-N 2.7Å; I620-M847 HydrophobicContact CG1-CE 4.41Å; I620-L851 HydrophobicContact CD1-CD1 4Å; I620-L851 HydrophobicContact CD1-CD2 4.02Å; I620-L851 HydrophobicContact CD1-CG 4.04Å
621L88.9Confident84.5Confident83 Ų8333.5 Ų33.544%0.43519%0.186SC..Hα-helixtrans-68.2-38.7175.5-171.657000112.7F617 Y618 N619 F623 A624 L625 Y654F617-L621 WeakPolarHBondContact O-CB 3.28Å; F617-L621 PolarHBondContact O-N 3.16Å; Y618-L621 PolarHBondContact O-N 3.46Å; N619-L621 VanDerWaalsContact C-N 3.25Å; N619-L621 PolarHBondContact O-N 3.48Å; L621-F623 VanDerWaalsContact C-N 3.33Å; L621-F623 PolarHBondContact O-N 3.43Å; L621-A624 PolarHBondContact O-N 2.89Å; L621-L625 VanDerWaalsContact O-CG 3.31Å; L621-L625 WeakPolarHBondContact O-CG 3.43Å; L621-L625 PolarHBondContact O-N 2.93Å; L621-Y654 HydrophobicContact CD2-CE2 4.12Å
622F90.3Very high84.8Confident1 Ų137.3 Ų37.30%0.00420%0.201CC..Hα-helixtrans-61.1-40.2170.7-73.9-58.5000112L606 V609 Y618 N619 L625 W626 L651 Y654 T655 L712L606-F622 HydrophobicContact CD1-CB 4.19Å; L606-F622 HydrophobicContact CD1-CD1 3.76Å; L606-F622 HydrophobicContact CD1-CG 4.37Å; V609-F622 HydrophobicContact CG1-CD2 4.02Å; V609-F622 HydrophobicContact CG1-CE2 4.07Å; Y618-F622 HydrophobicContact CD2-CD2 4.28Å; Y618-F622 HydrophobicContact CD2-CE2 4.04Å; Y618-F622 WeakPolarHBondContact O-CD2 3.4Å; Y618-F622 PolarHBondContact O-N 3.45Å; N619-F622 PolarHBondContact O-N 2.88Å; N619-F622 VanDerWaalsContact O-N 3.17Å; F622-L625 PolarHBondContact O-N 2.89Å; F622-W626 PolarHBondContact O-N 3.44Å; F622-L651 HydrophobicContact CD1-CD1 4.01Å; F622-L651 HydrophobicContact CE1-CD1 3.83Å; F622-Y654 HydrophobicContact CD1-CD1 4.18Å; F622-Y654 AromaticContact CD1-CE1 3.9Å; F622-Y654 HydrophobicContact CD1-CE1 3.9Å; F622-Y654 HydrophobicContact CD2-CE1 4.43Å; F622-Y654 AromaticContact CE1-CD1 3.48Å; F622-Y654 HydrophobicContact CE1-CD1 3.48Å; F622-Y654 VanDerWaalsContact CE1-CD1 3.48Å; F622-Y654 AromaticContact CE1-CE1 3.44Å; F622-Y654 HydrophobicContact CE1-CE1 3.44Å; F622-Y654 VanDerWaalsContact CE1-CE1 3.44Å; F622-Y654 HydrophobicContact CE2-CE1 4.01Å; F622-Y654 HydrophobicContact CG-CE1 4.37Å; F622-Y654 AromaticContact CZ-CD1 3.79Å; F622-Y654 HydrophobicContact CZ-CD1 3.79Å; F622-Y654 AromaticContact CZ-CE1 3.49Å; F622-Y654 HydrophobicContact CZ-CE1 3.49Å; F622-Y654 VanDerWaalsContact CZ-CE1 3.49Å; F622-T655 HydrophobicContact CE1-CG2 4.14Å; F622-T655 HydrophobicContact CZ-CG2 4.16Å; F622-L712 HydrophobicContact CD1-CD2 4.27Å; F622-L712 HydrophobicContact CE1-CD2 3.73Å; F622-L712 HydrophobicContact CZ-CD2 4.16Å
623F89.3Confident85.1Confident1 Ų136 Ų360%0.00419%0.19CC..Hα-helixtrans-66-42.8175.6-172.1-99.8000111.9L607 T611 N619 I620 L621 L625 W626 A627 A843 L844 M847 L895L607-F623 HydrophobicContact CD1-CD2 4.46Å; L607-F623 HydrophobicContact CD1-CE2 4.31Å; T611-F623 HydrophobicContact CG2-CD2 4.19Å; T611-F623 HydrophobicContact CG2-CE2 4.39Å; N619-F623 PolarHBondContact O-N 2.92Å; I620-F623 PolarHBondContact O-N 3.18Å; L621-F623 VanDerWaalsContact C-N 3.33Å; L621-F623 PolarHBondContact O-N 3.43Å; F623-L625 VanDerWaalsContact C-N 3.33Å; F623-L625 PolarHBondContact O-N 3.03Å; F623-W626 HydrophobicContact CD2-CE3 4.37Å; F623-W626 HydrophobicContact CE2-CE3 4.02Å; F623-W626 HydrophobicContact CE2-CZ3 4.07Å; F623-W626 HydrophobicContact CZ-CE3 4.38Å; F623-W626 HydrophobicContact CZ-CZ3 4.23Å; F623-W626 WeakPolarHBondContact O-CB 3.39Å; F623-W626 PolarHBondContact O-N 3.41Å; F623-W626 VanDerWaalsContact O-N 3.12Å; F623-A627 PolarHBondContact O-N 3.31Å; F623-A843 HydrophobicContact CE1-CB 4.08Å; F623-A843 HydrophobicContact CZ-CB 4.09Å; F623-L844 HydrophobicContact CD1-CD2 4.01Å; F623-L844 HydrophobicContact CE1-CD2 4.31Å; F623-M847 HydrophobicContact CB-CE 4.27Å; F623-M847 HydrophobicContact CB-SD 3.9Å; F623-M847 HydrophobicContact CD1-SD 3.44Å; F623-M847 WeakPolarHBondContact CD1-SD 3.41Å; F623-M847 HydrophobicContact CD2-SD 3.93Å; F623-M847 HydrophobicContact CE1-SD 3.86Å; F623-M847 HydrophobicContact CE2-SD 4.3Å; F623-M847 HydrophobicContact CG-CE 4.37Å; F623-M847 HydrophobicContact CG-SD 3.47Å; F623-M847 WeakPolarHBondContact CG-SD 3.38Å; F623-M847 HydrophobicContact CZ-SD 4.27Å; F623-L895 HydrophobicContact CE2-CD1 4.32Å; F623-L895 HydrophobicContact CZ-CD1 4.32Å
624A88.6Confident85.6Confident34 Ų3434.5 Ų34.528%0.28118%0.184SC..Hα-helixtrans-60.9-41175.500000111.9I620 L621 W626 A627 L628I620-A624 WeakPolarHBondContact O-CB 3.32Å; I620-A624 PolarHBondContact O-N 2.7Å; L621-A624 PolarHBondContact O-N 2.89Å; A624-W626 VanDerWaalsContact C-N 3.33Å; A624-W626 PolarHBondContact O-N 3.45Å; A624-A627 PolarHBondContact O-N 3.29Å; A624-L628 WeakPolarHBondContact O-CB 3.42Å; A624-L628 PolarHBondContact O-N 3.43Å
625L89Confident86.1Confident40 Ų4038.8 Ų38.821%0.20919%0.191CC..Hα-helixtrans-63.6-35.7173.4-71.7172.4000112.4L621 F622 F623 N629 F647 L651L621-L625 VanDerWaalsContact O-CG 3.31Å; L621-L625 WeakPolarHBondContact O-CG 3.43Å; L621-L625 PolarHBondContact O-N 2.93Å; F622-L625 PolarHBondContact O-N 2.89Å; F623-L625 VanDerWaalsContact C-N 3.33Å; F623-L625 PolarHBondContact O-N 3.03Å; L625-N629 WeakPolarHBondContact O-CB 3.45Å; L625-N629 PolarHBondContact O-N 3.19Å; L625-N629 VanDerWaalsContact O-N 3.14Å; L625-F647 HydrophobicContact CB-CE2 4.27Å; L625-F647 HydrophobicContact CB-CZ 4.28Å; L625-F647 HydrophobicContact CD2-CE2 4.12Å; L625-F647 WeakPolarHBondContact O-CZ 3.38Å; L625-L651 HydrophobicContact CD1-CD1 4.37Å
626W90.4Very high86.4Confident7 Ų739.4 Ų39.43%0.02720%0.197CC..Hα-helixtrans-68.9-44.7173.9177.989.7000112.7S603 L606 L607 F622 F623 A624 N629 L630 I899 I902S603-W626 PolarHBondContact O-NE1 2.99Å; L606-W626 HydrophobicContact CD2-CB 4.01Å; L606-W626 HydrophobicContact CG-CB 4.2Å; L607-W626 HydrophobicContact CD1-CD2 3.98Å; L607-W626 HydrophobicContact CD1-CE3 4.21Å; L607-W626 HydrophobicContact CD1-CG 4.49Å; L607-W626 HydrophobicContact CD1-CH2 4.28Å; L607-W626 HydrophobicContact CD1-CZ2 4.03Å; L607-W626 HydrophobicContact CD1-CZ3 4.36Å; L607-W626 HydrophobicContact CD2-CZ2 3.94Å; L607-W626 HydrophobicContact CG-CZ2 4.48Å; F622-W626 PolarHBondContact O-N 3.44Å; F623-W626 HydrophobicContact CD2-CE3 4.37Å; F623-W626 HydrophobicContact CE2-CE3 4.02Å; F623-W626 HydrophobicContact CE2-CZ3 4.07Å; F623-W626 HydrophobicContact CZ-CE3 4.38Å; F623-W626 HydrophobicContact CZ-CZ3 4.23Å; F623-W626 WeakPolarHBondContact O-CB 3.39Å; F623-W626 PolarHBondContact O-N 3.41Å; F623-W626 VanDerWaalsContact O-N 3.12Å; A624-W626 VanDerWaalsContact C-N 3.33Å; A624-W626 PolarHBondContact O-N 3.45Å; W626-N629 WeakPolarHBondContact O-CB 3.4Å; W626-N629 PolarHBondContact O-N 3.38Å; W626-L630 HydrophobicContact CD2-CD1 4.29Å; W626-L630 HydrophobicContact CE3-CD1 4.41Å; W626-L630 HydrophobicContact CH2-CD1 3.65Å; W626-L630 HydrophobicContact CZ2-CD1 3.5Å; W626-L630 VanDerWaalsContact CZ2-CD1 3.5Å; W626-L630 HydrophobicContact CZ3-CD1 4.11Å; W626-L630 PolarHBondContact O-N 2.97Å; W626-I899 HydrophobicContact CH2-CG2 4.21Å; W626-I902 HydrophobicContact CH2-CG2 4.36Å
627A86.1Confident86.4Confident4 Ų441.5 Ų41.53%0.03320%0.204CC..Hα-helixtrans-63.6-44.917700000111.6F623 A624 N629 L630 I631 F840F623-A627 PolarHBondContact O-N 3.31Å; A624-A627 PolarHBondContact O-N 3.29Å; A627-N629 VanDerWaalsContact C-N 3.32Å; A627-N629 PolarHBondContact O-N 2.94Å; A627-L630 PolarHBondContact O-N 3.31Å; A627-L630 VanDerWaalsContact O-N 3.08Å; A627-I631 WeakPolarHBondContact O-CG1 3.32Å; A627-I631 PolarHBondContact O-N 3.01Å; A627-F840 HydrophobicContact CB-CD1 3.84Å; A627-F840 HydrophobicContact CB-CE1 3.84Å
628L86Confident86.3Confident63 Ų6348 Ų4833%0.3323%0.227SC..Hα-helixtrans-60.8-38.4177.5177144000112.4A624 L630 I631 Y632 F647A624-L628 WeakPolarHBondContact O-CB 3.42Å; A624-L628 PolarHBondContact O-N 3.43Å; L628-L630 PolarHBondContact O-N 3.09Å; L628-I631 PolarHBondContact O-N 3.43Å; L628-Y632 HydrophobicContact CD2-CD2 3.95Å; L628-Y632 HydrophobicContact CD2-CE2 3.27Å; L628-Y632 HydrophobicContact CG-CD2 4.48Å; L628-Y632 HydrophobicContact CG-CE1 4.31Å; L628-Y632 HydrophobicContact CG-CE2 3.87Å; L628-Y632 PolarHBondContact O-N 3.39Å; L628-F647 HydrophobicContact CD2-CE2 4.36Å
629N86.4Confident86.2Confident6 Ų650 Ų503%0.03224%0.239CC..Hα-helixtrans-58.4-43171.6176.435.8000112.2L625 W626 A627 L633 Y640 F647L625-N629 WeakPolarHBondContact O-CB 3.45Å; L625-N629 PolarHBondContact O-N 3.19Å; L625-N629 VanDerWaalsContact O-N 3.14Å; W626-N629 WeakPolarHBondContact O-CB 3.4Å; W626-N629 PolarHBondContact O-N 3.38Å; A627-N629 VanDerWaalsContact C-N 3.32Å; A627-N629 PolarHBondContact O-N 2.94Å; N629-L633 PolarHBondContact O-N 3Å; N629-Y640 WeakPolarHBondContact OD1-CE2 3.45Å; N629-F647 HydrophobicContact CB-CE1 4.46Å; N629-F647 HydrophobicContact CB-CE2 4.45Å; N629-F647 HydrophobicContact CB-CZ 4Å
630L86.2Confident86.2Confident25 Ų2551.3 Ų51.313%0.13124%0.244CC..Hα-helixtrans-75.7-34.5177.4-67.6-179.1000113.8W626 A627 L628 L633 K634 F840 I902W626-L630 HydrophobicContact CD2-CD1 4.29Å; W626-L630 HydrophobicContact CE3-CD1 4.41Å; W626-L630 HydrophobicContact CH2-CD1 3.65Å; W626-L630 HydrophobicContact CZ2-CD1 3.5Å; W626-L630 VanDerWaalsContact CZ2-CD1 3.5Å; W626-L630 HydrophobicContact CZ3-CD1 4.11Å; W626-L630 PolarHBondContact O-N 2.97Å; A627-L630 PolarHBondContact O-N 3.31Å; A627-L630 VanDerWaalsContact O-N 3.08Å; L628-L630 PolarHBondContact O-N 3.09Å; L630-L633 WeakPolarHBondContact O-CB 3.34Å; L630-L633 PolarHBondContact O-N 3.48Å; L630-K634 PolarHBondContact O-N 2.65Å; L630-F840 HydrophobicContact CB-CZ 4.05Å; L630-I902 HydrophobicContact CD1-CG2 3.89Å
631I83.8Confident86Confident76 Ų7654.6 Ų54.639%0.3926%0.255SS..Hα-helixtrans-62.1-44.8174.2-70.2169.5000110.3A627 L628 L633 K634 F635 F840A627-I631 WeakPolarHBondContact O-CG1 3.32Å; A627-I631 PolarHBondContact O-N 3.01Å; L628-I631 PolarHBondContact O-N 3.43Å; I631-L633 VanDerWaalsContact C-N 3.25Å; I631-L633 PolarHBondContact O-N 3.35Å; I631-K634 PolarHBondContact O-N 3.28Å; I631-F635 VanDerWaalsContact O-CB 3.29Å; I631-F635 WeakPolarHBondContact O-CB 3.14Å; I631-F635 PolarHBondContact O-N 3.49Å; I631-F840 HydrophobicContact CD1-CD2 3.79Å; I631-F840 HydrophobicContact CD1-CE2 4Å; I631-F840 HydrophobicContact CD1-CG 4.24Å; I631-F840 HydrophobicContact CG1-CD2 3.66Å; I631-F840 HydrophobicContact CG1-CE2 3.35Å; I631-F840 HydrophobicContact CG1-CG 4.48Å; I631-F840 HydrophobicContact CG1-CZ 3.95Å
632Y85.4Confident85.7Confident80 Ų8053.7 Ų53.731%0.31427%0.266SS..Hα-helixtrans-59.3-35.5174.9-67.5-19.6000112.7L628 S636 L639 L643L628-Y632 HydrophobicContact CD2-CD2 3.95Å; L628-Y632 HydrophobicContact CD2-CE2 3.27Å; L628-Y632 HydrophobicContact CG-CD2 4.48Å; L628-Y632 HydrophobicContact CG-CE1 4.31Å; L628-Y632 HydrophobicContact CG-CE2 3.87Å; L628-Y632 PolarHBondContact O-N 3.39Å; Y632-S636 CarbonylContact O-C 3.53Å; Y632-S636 PolarHBondContact O-N 3.07Å; Y632-L639 HydrophobicContact CD1-CD2 3.96Å; Y632-L639 HydrophobicContact CD2-CD2 4.42Å; Y632-L639 HydrophobicContact CE1-CD2 4.44Å; Y632-L639 HydrophobicContact CG-CD2 3.95Å; Y632-L643 HydrophobicContact CD2-CD1 4.3Å; Y632-L643 HydrophobicContact CE2-CD1 3.98Å
633L85.3Confident85.6Confident22 Ų2257.4 Ų57.412%0.11529%0.285CS..Hα-helixtrans-67.7-45.2174.3179.764000112.8N629 L630 I631 F637 Y640 I910N629-L633 PolarHBondContact O-N 3Å; L630-L633 WeakPolarHBondContact O-CB 3.34Å; L630-L633 PolarHBondContact O-N 3.48Å; I631-L633 VanDerWaalsContact C-N 3.25Å; I631-L633 PolarHBondContact O-N 3.35Å; L633-F637 HydrophobicContact CD1-CD2 3.84Å; L633-F637 HydrophobicContact CD1-CE2 4.49Å; L633-Y640 HydrophobicContact CD1-CD1 4.2Å; L633-I910 HydrophobicContact CD2-CD1 4.23Å; L633-I910 HydrophobicContact CD2-CG1 4.29Å
634K85.1Confident85.4Confident28 Ų2857.5 Ų57.512%0.12229%0.286CS..Hα-helixtrans-70.8-33.1179.7-118-76.4-178.2174.70112.4L630 I631 S832 L905L630-K634 PolarHBondContact O-N 2.65Å; I631-K634 PolarHBondContact O-N 3.28Å; K634-S832 PolarHBondContact NZ-OG 3.19Å; K634-L905 WeakPolarHBondContact CE-O 3.36Å
635F83.8Confident85.3Confident150 Ų15061.9 Ų61.966%0.65830%0.296SS*.Hα-helixtrans-76.1-55178.3-173.3-99.3000112.6I631I631-F635 VanDerWaalsContact O-CB 3.29Å; I631-F635 WeakPolarHBondContact O-CB 3.14Å; I631-F635 PolarHBondContact O-N 3.49Å
636S83.4Confident85.2Confident38 Ų3862.4 Ų62.427%0.26631%0.306SS..  trans-161.9112.2178.9-176.70000114.1Y632 R638 L639 Y640Y632-S636 CarbonylContact O-C 3.53Å; Y632-S636 PolarHBondContact O-N 3.07Å; S636-R638 PolarHBondContact O-N 3.47Å; S636-R638 VanDerWaalsContact O-N 3.11Å; S636-L639 PolarHBondContact O-N 2.77Å; S636-L639 VanDerWaalsContact O-N 3.07Å; S636-Y640 PolarHBondContact O-N 3.07Å
637F82Confident85.2Confident74 Ų7463.6 Ų63.633%0.32531%0.311SS..Hα-helixtrans-56.5-28.7176.5-175.5-104.6000114.3L633 Y640 R641 T731L633-F637 HydrophobicContact CD1-CD2 3.84Å; L633-F637 HydrophobicContact CD1-CE2 4.49Å; F637-Y640 HydrophobicContact CD2-CD1 4.24Å; F637-Y640 HydrophobicContact CE2-CD1 4.27Å; F637-R641 PolarHBondContact O-N 3.32Å; F637-T731 HydrophobicContact CZ-CG2 4.48Å
638R82.2Confident85.2Confident222 Ų22263.4 Ų63.484%0.83831%0.31SS*.Hα-helixtrans-66.6-41.6177.2-71.8-174.5-178.8172.72112S636S636-R638 PolarHBondContact O-N 3.47Å; S636-R638 VanDerWaalsContact O-N 3.11Å
639L84Confident85.2Confident73 Ų7364.8 Ų64.838%0.38232%0.317SS..Hα-helixtrans-70.1-42.7-180-176.8144.2000110.4Y632 S636 R641 G642 L643Y632-L639 HydrophobicContact CD1-CD2 3.96Å; Y632-L639 HydrophobicContact CD2-CD2 4.42Å; Y632-L639 HydrophobicContact CE1-CD2 4.44Å; Y632-L639 HydrophobicContact CG-CD2 3.95Å; S636-L639 PolarHBondContact O-N 2.77Å; S636-L639 VanDerWaalsContact O-N 3.07Å; L639-R641 PolarHBondContact O-N 2.96Å; L639-G642 PolarHBondContact O-N 3.3Å; L639-G642 VanDerWaalsContact O-N 3.16Å; L639-L643 HydrophobicContact CD2-CD1 3.65Å; L639-L643 HydrophobicContact CG-CD1 4.22Å; L639-L643 PolarHBondContact O-N 3.43Å
640Y86Confident85.3Confident27 Ų2768.9 Ų68.911%0.10634%0.342CS..Hα-helixtrans-52.6-49.7174.7176.7-123.7000113.3I599 N629 L633 S636 F637 G642 L643 A644 W727I599-Y640 WeakPolarHBondContact CD1-OH 3.45Å; N629-Y640 WeakPolarHBondContact OD1-CE2 3.45Å; L633-Y640 HydrophobicContact CD1-CD1 4.2Å; S636-Y640 PolarHBondContact O-N 3.07Å; F637-Y640 HydrophobicContact CD2-CD1 4.24Å; F637-Y640 HydrophobicContact CE2-CD1 4.27Å; Y640-G642 VanDerWaalsContact C-N 3.28Å; Y640-G642 PolarHBondContact O-N 3.36Å; Y640-L643 PolarHBondContact O-N 3.15Å; Y640-A644 PolarHBondContact O-N 3.19Å; Y640-W727 HydrophobicContact CE1-CH2 4.34Å; Y640-W727 HydrophobicContact CE1-CZ2 4.12Å
641R83.6Confident85.4Confident93 Ų9367.8 Ų67.835%0.35134%0.337SS..Hα-helixtrans-62.9-31.5-179.3-168.3-179.365.6123.53.1113.3F637 L639 W727 S732F637-R641 PolarHBondContact O-N 3.32Å; L639-R641 PolarHBondContact O-N 2.96Å; R641-W727 HydrophobicContact CG-CH2 4.32Å; R641-W727 HydrophobicContact CG-CZ3 4.41Å; R641-S732 VanDerWaalsContact NH1-CB 3.3Å
642G83.8Confident85.5Confident64 Ų6464.4 Ų64.466%0.6632%0.319SS*.Hα-helixtrans-73.1-37.5179.400000113.6L639 Y640L639-G642 PolarHBondContact O-N 3.3Å; L639-G642 VanDerWaalsContact O-N 3.16Å; Y640-G642 VanDerWaalsContact C-N 3.28Å; Y640-G642 PolarHBondContact O-N 3.36Å
643L86.6Confident85.5Confident78 Ų7867.1 Ų67.141%0.40833%0.333SS..Hα-helixtrans-87.4-14.6-175.2-64.7175.8000114.1Y632 L639 Y640 Y645 A646 F647Y632-L643 HydrophobicContact CD2-CD1 4.3Å; Y632-L643 HydrophobicContact CE2-CD1 3.98Å; L639-L643 HydrophobicContact CD2-CD1 3.65Å; L639-L643 HydrophobicContact CG-CD1 4.22Å; L639-L643 PolarHBondContact O-N 3.43Å; Y640-L643 PolarHBondContact O-N 3.15Å; L643-Y645 PolarHBondContact O-N 2.88Å; L643-A646 PolarHBondContact O-N 3.36Å; L643-F647 PolarHBondContact O-N 3.22Å
644A85.1Confident85.7Confident3 Ų368.6 Ų68.63%0.02534%0.338CS..Hα-helixtrans-56-42.1-171.100000114.8Y640 F647 W648 W727Y640-A644 PolarHBondContact O-N 3.19Å; A644-F647 PolarHBondContact O-N 2.79Å; A644-W648 PolarHBondContact O-N 3.24Å; A644-W648 VanDerWaalsContact O-N 3.17Å; A644-W648 PolarHBondContact O-NE1 2.94Å; A644-W727 HydrophobicContact CB-CH2 4.14Å; A644-W727 HydrophobicContact CB-CZ3 4.02Å
645Y86.8Confident85.8Confident127 Ų12767.3 Ų67.350%0.49833%0.332SS..Hα-helixtrans-65.2-44.1179.6-175.8-98.2000112.1L643 W648 L649 L720 H724L643-Y645 PolarHBondContact O-N 2.88Å; Y645-W648 PolarHBondContact O-N 3.37Å; Y645-L649 PolarHBondContact O-N 3.32Å; Y645-L649 VanDerWaalsContact O-N 3.14Å; Y645-L720 HydrophobicContact CD2-CD2 4.12Å; Y645-L720 HydrophobicContact CE2-CD2 3.86Å; Y645-H724 AromaticContact CD2-CD2 3.74Å; Y645-H724 AromaticContact CD2-NE2 3.68Å
646A88.4Confident85.7Confident51 Ų5161.7 Ų61.742%0.42131%0.312SS..Hα-helixtrans-62.7-44.4176.500000111L643 W648 L649 T650L643-A646 PolarHBondContact O-N 3.36Å; A646-W648 PolarHBondContact O-N 3Å; A646-L649 PolarHBondContact O-N 3.32Å; A646-T650 WeakPolarHBondContact O-CB 3.43Å; A646-T650 PolarHBondContact O-N 2.86Å; A646-T650 PolarHBondContact O-OG1 3.39Å
647F88.6Confident85.9Confident31 Ų3164 Ų6414%0.13632%0.32CS..Hα-helixtrans-55.4-49177.2-176-98000112.6L606 L625 L628 N629 L643 A644 L649 T650 L651L606-F647 HydrophobicContact CD2-CE1 4.47Å; L606-F647 HydrophobicContact CD2-CZ 4.24Å; L625-F647 HydrophobicContact CB-CE2 4.27Å; L625-F647 HydrophobicContact CB-CZ 4.28Å; L625-F647 HydrophobicContact CD2-CE2 4.12Å; L625-F647 WeakPolarHBondContact O-CZ 3.38Å; L628-F647 HydrophobicContact CD2-CE2 4.36Å; N629-F647 HydrophobicContact CB-CE1 4.46Å; N629-F647 HydrophobicContact CB-CE2 4.45Å; N629-F647 HydrophobicContact CB-CZ 4Å; L643-F647 PolarHBondContact O-N 3.22Å; A644-F647 PolarHBondContact O-N 2.79Å; F647-L649 PolarHBondContact O-N 3.43Å; F647-T650 PolarHBondContact O-N 3.35Å; F647-L651 WeakPolarHBondContact O-CB 3.39Å; F647-L651 PolarHBondContact O-N 2.84Å
648W87.7Confident86Confident1 Ų161 Ų610%0.00431%0.308CS..Hα-helixtrans-67.9-34.6179.4-57.9126.3000113.4I599 V602 A644 Y645 A646 L651 T652 Q719 L720I599-W648 HydrophobicContact CD1-CZ2 4.13Å; I599-W648 HydrophobicContact CG1-CZ2 3.75Å; V602-W648 HydrophobicContact CB-CH2 4.1Å; V602-W648 HydrophobicContact CB-CZ3 4.01Å; V602-W648 HydrophobicContact CG1-CE3 3.7Å; V602-W648 HydrophobicContact CG1-CH2 3.91Å; V602-W648 HydrophobicContact CG1-CZ3 3.3Å; A644-W648 PolarHBondContact O-N 3.24Å; A644-W648 VanDerWaalsContact O-N 3.17Å; A644-W648 PolarHBondContact O-NE1 2.94Å; Y645-W648 PolarHBondContact O-N 3.37Å; A646-W648 PolarHBondContact O-N 3Å; W648-L651 HydrophobicContact CE3-CD2 4.02Å; W648-L651 HydrophobicContact CZ3-CD2 4.08Å; W648-T652 PolarHBondContact O-N 3.49Å; W648-T652 VanDerWaalsContact O-N 3.09Å; W648-T652 PolarHBondContact O-OG1 2.93Å; W648-Q719 HydrophobicContact CG-CG 4.34Å; W648-L720 HydrophobicContact CB-CD2 3.98Å; W648-L720 HydrophobicContact CB-CG 4.2Å
649L86.2Confident86.1Confident91 Ų9150.9 Ų50.948%0.47627%0.27SS..Hα-helixtrans-67.2-48.8175.4-17765.8000111.2Y645 A646 F647 L651 T652 F653Y645-L649 PolarHBondContact O-N 3.32Å; Y645-L649 VanDerWaalsContact O-N 3.14Å; A646-L649 PolarHBondContact O-N 3.32Å; F647-L649 PolarHBondContact O-N 3.43Å; L649-L651 VanDerWaalsContact C-N 3.33Å; L649-L651 PolarHBondContact O-N 3.35Å; L649-T652 PolarHBondContact O-N 2.98Å; L649-F653 PolarHBondContact O-N 3.42Å
650T86.5Confident86Confident92 Ų9251.5 Ų51.556%0.56427%0.273SS*.Hα-helixtrans-58.7-44176.7-57.80000111.3A646 F647 T652 F653 Y654A646-T650 WeakPolarHBondContact O-CB 3.43Å; A646-T650 PolarHBondContact O-N 2.86Å; A646-T650 PolarHBondContact O-OG1 3.39Å; F647-T650 PolarHBondContact O-N 3.35Å; T650-T652 VanDerWaalsContact C-N 3.35Å; T650-T652 PolarHBondContact O-N 3.43Å; T650-F653 PolarHBondContact O-N 3.04Å; T650-Y654 WeakPolarHBondContact O-CB 3.46Å; T650-Y654 PolarHBondContact O-N 3.02Å
651L89Confident85.9Confident3 Ų352.2 Ų52.22%0.01628%0.284CS..Hα-helixtrans-60.3-43.3176.1-176.461.3000112L606 F622 L625 F647 W648 L649 Y654 T655 L712 T716L606-L651 HydrophobicContact CD1-CD1 3.97Å; L606-L651 HydrophobicContact CD1-CD2 4.24Å; L606-L651 HydrophobicContact CD2-CD2 4.5Å; F622-L651 HydrophobicContact CD1-CD1 4.01Å; F622-L651 HydrophobicContact CE1-CD1 3.83Å; L625-L651 HydrophobicContact CD1-CD1 4.37Å; F647-L651 WeakPolarHBondContact O-CB 3.39Å; F647-L651 PolarHBondContact O-N 2.84Å; W648-L651 HydrophobicContact CE3-CD2 4.02Å; W648-L651 HydrophobicContact CZ3-CD2 4.08Å; L649-L651 VanDerWaalsContact C-N 3.33Å; L649-L651 PolarHBondContact O-N 3.35Å; L651-Y654 PolarHBondContact O-N 2.94Å; L651-T655 WeakPolarHBondContact O-CG2 3.35Å; L651-T655 PolarHBondContact O-N 2.94Å; L651-T655 PolarHBondContact O-OG1 3.27Å; L651-L712 HydrophobicContact CD1-CD2 4.37Å; L651-L712 HydrophobicContact CD2-CD1 4.41Å; L651-T716 HydrophobicContact CD2-CG2 3.75Å; L651-T716 HydrophobicContact CG-CG2 4.18Å
652T85.7Confident85.9Confident4 Ų448.1 Ų48.13%0.02527%0.269CS..Hα-helixtrans-68.2-40.2-179.4-49.60000111.8W648 L649 T650 T655 S656 F713 T716 M717W648-T652 PolarHBondContact O-N 3.49Å; W648-T652 VanDerWaalsContact O-N 3.09Å; W648-T652 PolarHBondContact O-OG1 2.93Å; L649-T652 PolarHBondContact O-N 2.98Å; T650-T652 VanDerWaalsContact C-N 3.35Å; T650-T652 PolarHBondContact O-N 3.43Å; T652-T655 WeakPolarHBondContact CA-OG1 3.34Å; T652-T655 PolarHBondContact O-N 3.12Å; T652-T655 PolarHBondContact O-OG1 2.81Å; T652-S656 PolarHBondContact O-N 2.88Å; T652-S656 VanDerWaalsContact O-N 3.13Å; T652-F713 HydrophobicContact CG2-CD2 3.72Å; T652-F713 HydrophobicContact CG2-CE2 3.86Å; T652-T716 VanDerWaalsContact OG1-CB 3.26Å; T652-T716 WeakPolarHBondContact OG1-CB 3.46Å; T652-T716 PolarHBondContact OG1-OG1 3.31Å; T652-M717 HydrophobicContact CG2-CE 3.62Å; T652-M717 HydrophobicContact CG2-CG 4.01Å
653F86.1Confident85.8Confident138 Ų13845.2 Ų45.261%0.60524%0.239SC*.Hα-helixtrans-62.1-47173.9-175-110.2000111.4L649 T650 T655 S656 I657L649-F653 PolarHBondContact O-N 3.42Å; T650-F653 PolarHBondContact O-N 3.04Å; F653-T655 PolarHBondContact O-N 3.05Å; F653-S656 PolarHBondContact O-N 3.43Å; F653-S656 VanDerWaalsContact O-N 3.11Å; F653-S656 PolarHBondContact O-OG 3.16Å; F653-I657 HydrophobicContact CD1-CD1 3.94Å; F653-I657 HydrophobicContact CE1-CD1 3.52Å; F653-I657 HydrophobicContact CZ-CD1 3.9Å; F653-I657 PolarHBondContact O-N 3.03Å
654Y88.6Confident85.7Confident53 Ų5344.5 Ų44.521%0.20823%0.234CC..Hα-helixtrans-56.8-47.1175.6-179.1-117.6000112.2Y618 L621 F622 T650 L651 S656 I657 V658Y618-Y654 WeakPolarHBondContact CA-OH 3.48Å; Y618-Y654 WeakPolarHBondContact CB-OH 3.38Å; L621-Y654 HydrophobicContact CD2-CE2 4.12Å; F622-Y654 HydrophobicContact CD1-CD1 4.18Å; F622-Y654 AromaticContact CD1-CE1 3.9Å; F622-Y654 HydrophobicContact CD1-CE1 3.9Å; F622-Y654 HydrophobicContact CD2-CE1 4.43Å; F622-Y654 AromaticContact CE1-CD1 3.48Å; F622-Y654 HydrophobicContact CE1-CD1 3.48Å; F622-Y654 VanDerWaalsContact CE1-CD1 3.48Å; F622-Y654 AromaticContact CE1-CE1 3.44Å; F622-Y654 HydrophobicContact CE1-CE1 3.44Å; F622-Y654 VanDerWaalsContact CE1-CE1 3.44Å; F622-Y654 HydrophobicContact CE2-CE1 4.01Å; F622-Y654 HydrophobicContact CG-CE1 4.37Å; F622-Y654 AromaticContact CZ-CD1 3.79Å; F622-Y654 HydrophobicContact CZ-CD1 3.79Å; F622-Y654 AromaticContact CZ-CE1 3.49Å; F622-Y654 HydrophobicContact CZ-CE1 3.49Å; F622-Y654 VanDerWaalsContact CZ-CE1 3.49Å; T650-Y654 WeakPolarHBondContact O-CB 3.46Å; T650-Y654 PolarHBondContact O-N 3.02Å; L651-Y654 PolarHBondContact O-N 2.94Å; Y654-S656 VanDerWaalsContact C-N 3.29Å; Y654-S656 PolarHBondContact O-N 3.36Å; Y654-I657 PolarHBondContact O-N 3.45Å; Y654-V658 HydrophobicContact CE1-CG2 4.44Å; Y654-V658 HydrophobicContact CE2-CG2 4.28Å; Y654-V658 WeakPolarHBondContact O-CG2 3.3Å; Y654-V658 PolarHBondContact O-N 2.95Å; Y654-V658 VanDerWaalsContact O-N 3.12Å
655T87.5Confident85.6Confident0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-60.4-35.5176550000113.5F622 L651 T652 F653 V658 I659 L712F622-T655 HydrophobicContact CE1-CG2 4.14Å; F622-T655 HydrophobicContact CZ-CG2 4.16Å; L651-T655 WeakPolarHBondContact O-CG2 3.35Å; L651-T655 PolarHBondContact O-N 2.94Å; L651-T655 PolarHBondContact O-OG1 3.27Å; T652-T655 WeakPolarHBondContact CA-OG1 3.34Å; T652-T655 PolarHBondContact O-N 3.12Å; T652-T655 PolarHBondContact O-OG1 2.81Å; F653-T655 PolarHBondContact O-N 3.05Å; T655-V658 PolarHBondContact O-N 2.88Å; T655-I659 WeakPolarHBondContact O-CD1 3.35Å; T655-I659 VanDerWaalsContact O-CG1 3.29Å; T655-I659 WeakPolarHBondContact O-CG1 3.45Å; T655-I659 PolarHBondContact O-N 3.48Å; T655-L712 HydrophobicContact CG2-CB 4.28Å; T655-L712 HydrophobicContact CG2-CD2 3.59Å; T655-L712 HydrophobicContact CG2-CG 3.84Å
656S83.1Confident85.3Confident33 Ų3339.2 Ų39.223%0.23121%0.214CC..Hα-helixtrans-68.4-35178.571.50000112.9T652 F653 Y654 I660T652-S656 PolarHBondContact O-N 2.88Å; T652-S656 VanDerWaalsContact O-N 3.13Å; F653-S656 PolarHBondContact O-N 3.43Å; F653-S656 VanDerWaalsContact O-N 3.11Å; F653-S656 PolarHBondContact O-OG 3.16Å; Y654-S656 VanDerWaalsContact C-N 3.29Å; Y654-S656 PolarHBondContact O-N 3.36Å; S656-I660 WeakPolarHBondContact O-CD1 3.38Å; S656-I660 VanDerWaalsContact O-CG1 3.29Å; S656-I660 WeakPolarHBondContact O-CG1 3.4Å; S656-I660 PolarHBondContact O-N 3.35Å
657I85.7Confident84.8Confident85 Ų8537.6 Ų37.644%0.43620%0.197SC..Hα-helixtrans-66.5-45.6174.2-67.4170.9000110.2F653 Y654 I659 I660 A661F653-I657 HydrophobicContact CD1-CD1 3.94Å; F653-I657 HydrophobicContact CE1-CD1 3.52Å; F653-I657 HydrophobicContact CZ-CD1 3.9Å; F653-I657 PolarHBondContact O-N 3.03Å; Y654-I657 PolarHBondContact O-N 3.45Å; I657-I659 PolarHBondContact O-N 3.06Å; I657-I660 PolarHBondContact O-N 3.01Å; I657-A661 WeakPolarHBondContact O-CB 3.37Å; I657-A661 PolarHBondContact O-N 3.48Å
658V85.2Confident84.1Confident13 Ų1338.6 Ų38.68%0.07921%0.206CC..Hα-helixtrans-59.6-46.4178.6173.80000111.4Y654 T655 I660 A661 L662 P709Y654-V658 HydrophobicContact CE1-CG2 4.44Å; Y654-V658 HydrophobicContact CE2-CG2 4.28Å; Y654-V658 WeakPolarHBondContact O-CG2 3.3Å; Y654-V658 PolarHBondContact O-N 2.95Å; Y654-V658 VanDerWaalsContact O-N 3.12Å; T655-V658 PolarHBondContact O-N 2.88Å; V658-I660 PolarHBondContact O-N 3.01Å; V658-A661 PolarHBondContact O-N 3.41Å; V658-L662 HydrophobicContact CG1-CD1 3.78Å; V658-L662 HydrophobicContact CG1-CG 4.4Å; V658-L662 WeakPolarHBondContact O-CB 3.35Å; V658-L662 VanDerWaalsContact O-CG 3.31Å; V658-L662 WeakPolarHBondContact O-CG 3.36Å; V658-L662 PolarHBondContact O-N 3.2Å; V658-P709 HydrophobicContact CG1-CG 4.43Å
659I84.2Confident83.4Confident9 Ų940.3 Ų40.35%0.04622%0.224CC..Hα-helixtrans-59.3-45.6177.7-68.8163.1000111.5T655 I657 Y663 L706 P709 I710 F713T655-I659 WeakPolarHBondContact O-CD1 3.35Å; T655-I659 VanDerWaalsContact O-CG1 3.29Å; T655-I659 WeakPolarHBondContact O-CG1 3.45Å; T655-I659 PolarHBondContact O-N 3.48Å; I657-I659 PolarHBondContact O-N 3.06Å; I659-Y663 PolarHBondContact O-N 3.42Å; I659-L706 HydrophobicContact CB-CD2 4.47Å; I659-L706 HydrophobicContact CG2-CD2 4Å; I659-P709 HydrophobicContact CD1-CB 4.25Å; I659-P709 HydrophobicContact CG1-CB 3.72Å; I659-I710 HydrophobicContact CD1-CG1 3.92Å; I659-I710 HydrophobicContact CG1-CG1 4.26Å; I659-F713 HydrophobicContact CD1-CB 4.2Å
660I82.1Confident83Confident85 Ų8537.6 Ų37.644%0.43621%0.212SC..Hα-helixtrans-68.9-43.1-178.1-68.9168000111S656 I657 V658 Y663 I664S656-I660 WeakPolarHBondContact O-CD1 3.38Å; S656-I660 VanDerWaalsContact O-CG1 3.29Å; S656-I660 WeakPolarHBondContact O-CG1 3.4Å; S656-I660 PolarHBondContact O-N 3.35Å; I657-I660 PolarHBondContact O-N 3.01Å; V658-I660 PolarHBondContact O-N 3.01Å; I660-Y663 PolarHBondContact O-N 2.73Å; I660-I664 HydrophobicContact CG2-CD1 3.58Å; I660-I664 HydrophobicContact CG2-CG1 4.36Å; I660-I664 WeakPolarHBondContact O-CB 3.36Å; I660-I664 WeakPolarHBondContact O-CG1 3.31Å; I660-I664 PolarHBondContact O-N 3.3Å
661A83Confident82.6Confident42 Ų4233.7 Ų33.735%0.34719%0.188SC..Hα-helixtrans-61.7-46.9178.700000111.9I657 V658 Y663 I664 Y665 L690I657-A661 WeakPolarHBondContact O-CB 3.37Å; I657-A661 PolarHBondContact O-N 3.48Å; V658-A661 PolarHBondContact O-N 3.41Å; A661-Y663 PolarHBondContact O-N 2.62Å; A661-I664 PolarHBondContact O-N 3.4Å; A661-Y665 WeakPolarHBondContact O-CB 3.43Å; A661-Y665 PolarHBondContact O-N 3.17Å; A661-Y665 VanDerWaalsContact O-N 3.1Å; A661-L690 HydrophobicContact CB-CD2 4.5Å
662L83.1Confident81.9Confident7 Ų739 Ų394%0.03721%0.213CC..Hα-helixtrans-63.2-40.4178.8-70.9171.9000112.6V658 Q666 L706V658-L662 HydrophobicContact CG1-CD1 3.78Å; V658-L662 HydrophobicContact CG1-CG 4.4Å; V658-L662 WeakPolarHBondContact O-CB 3.35Å; V658-L662 VanDerWaalsContact O-CG 3.31Å; V658-L662 WeakPolarHBondContact O-CG 3.36Å; V658-L662 PolarHBondContact O-N 3.2Å; L662-Q666 WeakPolarHBondContact O-CG 3.45Å; L662-Q666 PolarHBondContact O-NE2 3.48Å; L662-L706 HydrophobicContact CB-CD2 4.42Å
663Y82.5Confident81.7Confident3 Ų346.1 Ų46.11%0.01224%0.239CC..Hα-helixtrans-70.3-39.7178.3-174.1-78.9000112.5A438 H442 S443 L447 L450 I659 I660 A661 F667A438-Y663 PolarHBondContact O-OH 3.48Å; H442-Y663 AromaticContact CE1-CE1 3.74Å; H442-Y663 AromaticContact CE1-CZ 3.85Å; H442-Y663 AromaticContact ND1-CE1 3.73Å; H442-Y663 AromaticContact ND1-CE2 3.71Å; H442-Y663 AromaticContact ND1-CZ 3.35Å; H442-Y663 VanDerWaalsContact ND1-CZ 3.35Å; H442-Y663 PolarHBondContact ND1-OH 3.05Å; S443-Y663 PolarHBondContact O-OH 3.03Å; L447-Y663 HydrophobicContact CB-CE1 3.87Å; L447-Y663 HydrophobicContact CD1-CD1 3.79Å; L447-Y663 HydrophobicContact CD1-CE1 3.77Å; L447-Y663 HydrophobicContact CG-CE1 4.32Å; L447-Y663 PolarHBondContact N-OH 3.28Å; L450-Y663 HydrophobicContact CD2-CD1 4.23Å; L450-Y663 HydrophobicContact CD2-CD2 3.62Å; L450-Y663 HydrophobicContact CD2-CE2 3.94Å; L450-Y663 HydrophobicContact CD2-CG 3.78Å; I659-Y663 PolarHBondContact O-N 3.42Å; I660-Y663 PolarHBondContact O-N 2.73Å; A661-Y663 PolarHBondContact O-N 2.62Å; Y663-F667 HydrophobicContact CD1-CE2 4.33Å; Y663-F667 AromaticContact CE1-CE2 3.96Å; Y663-F667 HydrophobicContact CE1-CE2 3.96Å; Y663-F667 HydrophobicContact CE1-CZ 4.14Å
664I84.6Confident81.5Confident63 Ų6341.2 Ų41.232%0.32322%0.219SC..Hα-helixtrans-69.9-32.3-179.7-73.3175.8000111.8I660 A661 Q666 F667 V670I660-I664 HydrophobicContact CG2-CD1 3.58Å; I660-I664 HydrophobicContact CG2-CG1 4.36Å; I660-I664 WeakPolarHBondContact O-CB 3.36Å; I660-I664 WeakPolarHBondContact O-CG1 3.31Å; I660-I664 PolarHBondContact O-N 3.3Å; A661-I664 PolarHBondContact O-N 3.4Å; I664-Q666 PolarHBondContact O-N 3.43Å; I664-F667 PolarHBondContact O-N 3.05Å; I664-V670 HydrophobicContact CG2-CG1 3.76Å
665Y83.5Confident81.1Confident10 Ų1042.2 Ų42.24%0.03923%0.228CC..Hα-helixtrans-64.9-22.8-178.9-164.3-99.6000113.9A661 F667 I674 L690 D692A661-Y665 WeakPolarHBondContact O-CB 3.43Å; A661-Y665 PolarHBondContact O-N 3.17Å; A661-Y665 VanDerWaalsContact O-N 3.1Å; Y665-F667 VanDerWaalsContact C-N 3.31Å; Y665-F667 PolarHBondContact O-N 3.04Å; Y665-I674 HydrophobicContact CD2-CD1 3.73Å; Y665-I674 HydrophobicContact CE2-CD1 4.03Å; Y665-L690 HydrophobicContact CD2-CB 4.16Å; Y665-L690 HydrophobicContact CD2-CD2 4.28Å; Y665-L690 HydrophobicContact CE1-CB 4.41Å; Y665-L690 WeakPolarHBondContact CE1-O 3.34Å; Y665-L690 HydrophobicContact CE2-CB 4.05Å; Y665-L690 HydrophobicContact CG-CB 4.4Å; Y665-L690 HydrophobicContact CG-CD2 4.36Å; Y665-D692 HydrophobicContact CE1-CB 4.31Å
666Q80.1Confident80.9Confident10 Ų1050.8 Ų50.85%0.04726%0.26CS..THydrogen-bonded Turntrans-75.1-13.3-177.6-54.3-50-57.300114.7L662 I664 P668 V691 F693 L702L662-Q666 WeakPolarHBondContact O-CG 3.45Å; L662-Q666 PolarHBondContact O-NE2 3.48Å; I664-Q666 PolarHBondContact O-N 3.43Å; Q666-P668 WeakPolarHBondContact O-CD 2.98Å; Q666-V691 PolarHBondContact NE2-O 3.09Å; Q666-F693 VanDerWaalsContact OE1-N 3.09Å; Q666-L702 HydrophobicContact CG-CD1 3.57Å; Q666-L702 HydrophobicContact CG-CD2 4.2Å
667F77.9Confident81Confident17 Ų1753.8 Ų53.88%0.07527%0.273CS..SBendtrans-73.4121.2173.6-69.8-73.8000109.1H442 I444 Y663 I664 Y665 G669 V670 S671H442-F667 AromaticContact CE1-CE1 3.86Å; H442-F667 AromaticContact CE1-CE2 3.65Å; H442-F667 AromaticContact CE1-CZ 3.56Å; H442-F667 AromaticContact NE2-CD1 3.65Å; H442-F667 AromaticContact NE2-CE1 3.62Å; H442-F667 AromaticContact NE2-CG 3.86Å; H442-F667 AromaticContact NE2-CZ 3.81Å; I444-F667 HydrophobicContact CG1-CE1 4.04Å; I444-F667 HydrophobicContact CG1-CZ 4.06Å; Y663-F667 HydrophobicContact CD1-CE2 4.33Å; Y663-F667 AromaticContact CE1-CE2 3.96Å; Y663-F667 HydrophobicContact CE1-CE2 3.96Å; Y663-F667 HydrophobicContact CE1-CZ 4.14Å; I664-F667 PolarHBondContact O-N 3.05Å; Y665-F667 VanDerWaalsContact C-N 3.31Å; Y665-F667 PolarHBondContact O-N 3.04Å; F667-G669 PolarHBondContact O-N 3.19Å; F667-G669 VanDerWaalsContact O-N 3.12Å; F667-V670 HydrophobicContact CB-CB 4.08Å; F667-V670 HydrophobicContact CB-CG2 3.75Å; F667-V670 WeakPolarHBondContact O-CA 3.42Å; F667-V670 PolarHBondContact O-N 3.05Å; F667-S671 PolarHBondContact O-N 2.86Å; F667-S671 VanDerWaalsContact O-N 3.11Å
668P73.1Confident80.6Confident51 Ų5152.6 Ų52.633%0.33127%0.27SS..Hα-helixtrans-63.6-24.3-17523.3-33.5000113.3Q666 V670 S671 Q672Q666-P668 WeakPolarHBondContact O-CD 2.98Å; P668-V670 VanDerWaalsContact C-N 3.34Å; P668-S671 PolarHBondContact O-OG 3.45Å; P668-Q672 WeakPolarHBondContact O-CB 3.19Å; P668-Q672 VanDerWaalsContact O-CG 3.25Å; P668-Q672 WeakPolarHBondContact O-CG 3.44Å; P668-Q672 PolarHBondContact O-N 3.21Å
669G74.2Confident80.1Confident37 Ų3757.5 Ų57.538%0.38131%0.305SS..Hα-helixtrans-72.1-23.6170.600000114.2F667 W673F667-G669 PolarHBondContact O-N 3.19Å; F667-G669 VanDerWaalsContact O-N 3.12Å; G669-W673 WeakPolarHBondContact O-CB 3.07Å; G669-W673 PolarHBondContact O-N 3.44Å
670V77.8Confident79.7Confident34 Ų3460.5 Ų60.521%0.20632%0.321CS..Hα-helixtrans-90.8-41.5-178.6-179.60000111.6I664 F667 P668 Q672 W673 I674I664-V670 HydrophobicContact CG2-CG1 3.76Å; F667-V670 HydrophobicContact CB-CB 4.08Å; F667-V670 HydrophobicContact CB-CG2 3.75Å; F667-V670 WeakPolarHBondContact O-CA 3.42Å; F667-V670 PolarHBondContact O-N 3.05Å; P668-V670 VanDerWaalsContact C-N 3.34Å; V670-Q672 VanDerWaalsContact C-N 3.33Å; V670-Q672 PolarHBondContact O-N 2.8Å; V670-W673 WeakPolarHBondContact O-CA 3.46Å; V670-W673 WeakPolarHBondContact O-CB 3.34Å; V670-W673 PolarHBondContact O-N 3.45Å; V670-I674 HydrophobicContact CG1-CD1 4.07Å; V670-I674 HydrophobicContact CG1-CG1 4.41Å; V670-I674 WeakPolarHBondContact O-CG1 3.45Å; V670-I674 PolarHBondContact O-N 3.49Å
671S76.6Confident79.5Confident11 Ų1158.9 Ų58.98%0.07732%0.317CS..Hα-helixtrans-58-47.5173.659.40000110.8F667 P668 W673 I674 I675F667-S671 PolarHBondContact O-N 2.86Å; F667-S671 VanDerWaalsContact O-N 3.11Å; P668-S671 PolarHBondContact O-OG 3.45Å; S671-W673 PolarHBondContact O-N 2.96Å; S671-I674 PolarHBondContact O-N 2.73Å; S671-I675 WeakPolarHBondContact O-CG1 3.17Å; S671-I675 PolarHBondContact O-N 3.33Å; S671-I675 VanDerWaalsContact O-N 3.1Å
672Q76Confident79.3Confident114 Ų11463.3 Ų63.353%0.53333%0.33SS..Hα-helixtrans-65.1-18.6173.1-68.6-175.910.200114.9P668 V670 R676P668-Q672 WeakPolarHBondContact O-CB 3.19Å; P668-Q672 VanDerWaalsContact O-CG 3.25Å; P668-Q672 WeakPolarHBondContact O-CG 3.44Å; P668-Q672 PolarHBondContact O-N 3.21Å; V670-Q672 VanDerWaalsContact C-N 3.33Å; V670-Q672 PolarHBondContact O-N 2.8Å; Q672-R676 WeakPolarHBondContact O-CB 3.41Å; Q672-R676 PolarHBondContact O-NE 3.21Å
673W81.5Confident79Confident153 Ų15370.2 Ų70.258%0.5836%0.363SS*.Hα-helixtrans-84.9-42.2175.2179.191000111.1G669 V670 S671 R676 N677G669-W673 WeakPolarHBondContact O-CB 3.07Å; G669-W673 PolarHBondContact O-N 3.44Å; V670-W673 WeakPolarHBondContact O-CA 3.46Å; V670-W673 WeakPolarHBondContact O-CB 3.34Å; V670-W673 PolarHBondContact O-N 3.45Å; S671-W673 PolarHBondContact O-N 2.96Å; W673-R676 PolarHBondContact O-N 3.45Å; W673-N677 WeakPolarHBondContact CZ2-ND2 3.17Å; W673-N677 PolarHBondContact NE1-ND2 3.47Å; W673-N677 VanDerWaalsContact NE1-ND2 3.2Å; W673-N677 WeakPolarHBondContact O-CB 3.42Å; W673-N677 PolarHBondContact O-N 3.36Å
674I80.3Confident79Confident35 Ų3576 Ų7618%0.17939%0.385CS..Hα-helixtrans-62-50.7176.2-68.4170.8000110.5Y665 V670 S671 R676 N677 T678 L685Y665-I674 HydrophobicContact CD2-CD1 3.73Å; Y665-I674 HydrophobicContact CE2-CD1 4.03Å; V670-I674 HydrophobicContact CG1-CD1 4.07Å; V670-I674 HydrophobicContact CG1-CG1 4.41Å; V670-I674 WeakPolarHBondContact O-CG1 3.45Å; V670-I674 PolarHBondContact O-N 3.49Å; S671-I674 PolarHBondContact O-N 2.73Å; I674-R676 VanDerWaalsContact C-N 3.29Å; I674-R676 PolarHBondContact O-N 3.04Å; I674-N677 PolarHBondContact O-N 3.05Å; I674-T678 HydrophobicContact CG2-CG2 4.3Å; I674-T678 WeakPolarHBondContact O-CB 3.21Å; I674-T678 PolarHBondContact O-N 3.39Å; I674-T678 PolarHBondContact O-OG1 2.95Å; I674-L685 HydrophobicContact CG2-CD2 4.33Å
675I81.1Confident78.9Confident75 Ų7573.1 Ų73.139%0.38537%0.37SS..Hα-helixtrans-58.8-43.4-179.5-66.1165.4000110.6S671 L685S671-I675 WeakPolarHBondContact O-CG1 3.17Å; S671-I675 PolarHBondContact O-N 3.33Å; S671-I675 VanDerWaalsContact O-N 3.1Å; I675-L685 HydrophobicContact CG1-CD1 3.9Å
676R83.9Confident78.6Confident179 Ų17975.8 Ų75.868%0.67538%0.384SS*.Hα-helixtrans-70.5-34.5-178.1-167.4-172-40.8-154.61.6114Q672 W673 I674Q672-R676 WeakPolarHBondContact O-CB 3.41Å; Q672-R676 PolarHBondContact O-NE 3.21Å; W673-R676 PolarHBondContact O-N 3.45Å; I674-R676 VanDerWaalsContact C-N 3.29Å; I674-R676 PolarHBondContact O-N 3.04Å
677N84.4Confident78.6Confident97 Ų9775.6 Ų75.652%0.51939%0.385SS..Hα-helixtrans-96.6-24.4-175.3-75.78.7000114.5W673 I674W673-N677 WeakPolarHBondContact CZ2-ND2 3.17Å; W673-N677 PolarHBondContact NE1-ND2 3.47Å; W673-N677 VanDerWaalsContact NE1-ND2 3.2Å; W673-N677 WeakPolarHBondContact O-CB 3.42Å; W673-N677 PolarHBondContact O-N 3.36Å; I674-N677 PolarHBondContact O-N 3.05Å
678T76.5Confident78.8Confident59 Ų5977.8 Ų77.836%0.36240%0.396SS..Hα-helixtrans-103.5-12.1-173.4650000114.7I674 L680I674-T678 HydrophobicContact CG2-CG2 4.3Å; I674-T678 WeakPolarHBondContact O-CB 3.21Å; I674-T678 PolarHBondContact O-N 3.39Å; I674-T678 PolarHBondContact O-OG1 2.95Å; T678-L680 PolarHBondContact O-N 3.46Å
679S75.5Confident78.9Confident116 Ų11675.4 Ų75.481%0.81138%0.382SS*.  trans57.79.9-178.1670000116.5
680L75.6Confident79.3Confident72 Ų7275.5 Ų75.538%0.37737%0.373SS..  trans-70.4128.4172.9-71.4165.7000110.1T678 W684 L685T678-L680 PolarHBondContact O-N 3.46Å; L680-W684 HydrophobicContact CD2-CB 4.37Å; L680-L685 HydrophobicContact CB-CD1 4.49Å; L680-L685 HydrophobicContact CB-CG 4.2Å; L680-L685 HydrophobicContact CD1-CD2 4.5Å
681S79.1Confident79.2Confident51 Ų5175.4 Ų75.436%0.35737%0.372SS..  trans-63.4156172.665.60000111.4E683 W684 L685S681-E683 PolarHBondContact O-N 2.89Å; S681-W684 PolarHBondContact O-N 2.92Å; S681-W684 VanDerWaalsContact O-N 3.16Å; S681-W684 PolarHBondContact OG-N 3.46Å; S681-L685 PolarHBondContact O-N 2.99Å; S681-L685 VanDerWaalsContact O-N 3.1Å
682Q77.6Confident79.1Confident135 Ų13576.7 Ų76.763%0.63138%0.378SS*.Hα-helixtrans-60.7-31.2177.5-167.6165.6-14.600112.7L685 N686Q682-L685 PolarHBondContact O-N 3.43Å; Q682-N686 WeakPolarHBondContact O-CB 3.43Å; Q682-N686 PolarHBondContact O-N 3.36Å; Q682-N686 PolarHBondContact O-OD1 3.16Å
683E77.6Confident79.1Confident153 Ų15371.7 Ų71.772%0.71536%0.355SS*.Hα-helixtrans-61.7-46.8173.6-65.3168.6-172.600112.6S681 N686 A687S681-E683 PolarHBondContact O-N 2.89Å; E683-N686 PolarHBondContact O-N 3.47Å; E683-A687 PolarHBondContact O-N 3.44Å
684W83.1Confident78.4Confident125 Ų12572.1 Ų72.147%0.47336%0.356SS..Hα-helixtrans-65.4-38.1175.1-86.798.6000112.6F617 L680 S681 A687 I688 I853F617-W684 HydrophobicContact CE2-CE3 4.48Å; F617-W684 HydrophobicContact CE2-CZ3 4.02Å; F617-W684 HydrophobicContact CZ-CZ3 4.18Å; L680-W684 HydrophobicContact CD2-CB 4.37Å; S681-W684 PolarHBondContact O-N 2.92Å; S681-W684 VanDerWaalsContact O-N 3.16Å; S681-W684 PolarHBondContact OG-N 3.46Å; W684-A687 PolarHBondContact O-N 3.06Å; W684-I688 WeakPolarHBondContact O-CD1 3.2Å; W684-I688 VanDerWaalsContact O-CG1 3.24Å; W684-I688 WeakPolarHBondContact O-CG1 3.27Å; W684-I688 PolarHBondContact O-N 3.13Å; W684-I853 HydrophobicContact CE3-CD1 4.25Å; W684-I853 HydrophobicContact CH2-CD1 4.16Å; W684-I853 HydrophobicContact CZ2-CD1 4.42Å; W684-I853 HydrophobicContact CZ3-CD1 4.06Å
685L81.9Confident77.7Confident2 Ų274.4 Ų74.41%0.0138%0.381CS..Hα-helixtrans-64-41.5173.8-75.5163.9000111.4I674 I675 L680 S681 Q682 I688 G689 L690I674-L685 HydrophobicContact CG2-CD2 4.33Å; I675-L685 HydrophobicContact CG1-CD1 3.9Å; L680-L685 HydrophobicContact CB-CD1 4.49Å; L680-L685 HydrophobicContact CB-CG 4.2Å; L680-L685 HydrophobicContact CD1-CD2 4.5Å; S681-L685 PolarHBondContact O-N 2.99Å; S681-L685 VanDerWaalsContact O-N 3.1Å; Q682-L685 PolarHBondContact O-N 3.43Å; L685-I688 PolarHBondContact O-N 3.28Å; L685-G689 PolarHBondContact O-N 3.03Å; L685-L690 HydrophobicContact CD2-CB 4.29Å; L685-L690 HydrophobicContact CD2-CD1 3.99Å; L685-L690 PolarHBondContact O-N 2.7Å
686N77.6Confident76.9Confident65 Ų6575.5 Ų75.535%0.34839%0.387SS..Hα-helixtrans-63.2-45.2174.2-71.2-6.5000111.9Q682 E683 I688 G689Q682-N686 WeakPolarHBondContact O-CB 3.43Å; Q682-N686 PolarHBondContact O-N 3.36Å; Q682-N686 PolarHBondContact O-OD1 3.16Å; E683-N686 PolarHBondContact O-N 3.47Å; N686-I688 VanDerWaalsContact C-N 3.33Å; N686-I688 PolarHBondContact O-N 3.25Å; N686-G689 VanDerWaalsContact O-CA 3.23Å; N686-G689 WeakPolarHBondContact O-CA 3.24Å; N686-G689 PolarHBondContact O-N 3.38Å
687A78.5Confident75.7Confident7 Ų770.1 Ų70.16%0.05839%0.387CS..Hα-helixtrans-65.3-33.5177.600000113.2F617 E683 W684 I853F617-A687 HydrophobicContact CD2-CB 4.36Å; F617-A687 VanDerWaalsContact CD2-O 3.32Å; F617-A687 WeakPolarHBondContact CD2-O 3.45Å; F617-A687 HydrophobicContact CE2-CB 4.16Å; F617-A687 PolarHBondContact N-O 3.39Å; F617-A687 VanDerWaalsContact N-O 3.08Å; E683-A687 PolarHBondContact O-N 3.44Å; W684-A687 PolarHBondContact O-N 3.06Å; A687-I853 HydrophobicContact CB-CD1 3.67Å; A687-I853 HydrophobicContact CB-CG1 4.26Å
688I82.3Confident74.5Confident62 Ų6271.3 Ų71.332%0.31839%0.389SS..Hα-helixtrans-66-32.3168.2-68.5164.5000110.5F617 Y618 W684 L685 N686 L690F617-I688 HydrophobicContact CD2-CG1 4.28Å; Y618-I688 WeakPolarHBondContact CD1-O 3.06Å; W684-I688 WeakPolarHBondContact O-CD1 3.2Å; W684-I688 VanDerWaalsContact O-CG1 3.24Å; W684-I688 WeakPolarHBondContact O-CG1 3.27Å; W684-I688 PolarHBondContact O-N 3.13Å; L685-I688 PolarHBondContact O-N 3.28Å; N686-I688 VanDerWaalsContact C-N 3.33Å; N686-I688 PolarHBondContact O-N 3.25Å; I688-L690 HydrophobicContact CG2-CD1 4.09Å; I688-L690 HydrophobicContact CG2-CG 4.15Å
689G76.8Confident73.5Confident2 Ų273.6 Ų73.62%0.02141%0.408CS..THydrogen-bonded Turntrans96.726.5-179.600000114L685 N686L685-G689 PolarHBondContact O-N 3.03Å; N686-G689 VanDerWaalsContact O-CA 3.23Å; N686-G689 WeakPolarHBondContact O-CA 3.24Å; N686-G689 PolarHBondContact O-N 3.38Å
690L81.4Confident73Confident39 Ų3970.2 Ų70.220%0.20439%0.391CS..  trans-96.594.4173-72.3170.1000109.5A661 Y665 L685 I688A661-L690 HydrophobicContact CB-CD2 4.5Å; Y665-L690 HydrophobicContact CD2-CB 4.16Å; Y665-L690 HydrophobicContact CD2-CD2 4.28Å; Y665-L690 HydrophobicContact CE1-CB 4.41Å; Y665-L690 WeakPolarHBondContact CE1-O 3.34Å; Y665-L690 HydrophobicContact CE2-CB 4.05Å; Y665-L690 HydrophobicContact CG-CB 4.4Å; Y665-L690 HydrophobicContact CG-CD2 4.36Å; L685-L690 HydrophobicContact CD2-CB 4.29Å; L685-L690 HydrophobicContact CD2-CD1 3.99Å; L685-L690 PolarHBondContact O-N 2.7Å; I688-L690 HydrophobicContact CG2-CD1 4.09Å; I688-L690 HydrophobicContact CG2-CG 4.15Å
691V76.7Confident72.5Confident31 Ų3167.6 Ų67.619%0.18838%0.38CS..  trans-121.7141.7-171.3-175.10000110.9Q666 F693 I696Q666-V691 PolarHBondContact NE2-O 3.09Å; V691-F693 HydrophobicContact CB-CE1 4.24Å; V691-F693 HydrophobicContact CB-CZ 4.07Å; V691-F693 HydrophobicContact CG1-CE1 4.26Å; V691-F693 WeakPolarHBondContact O-CE2 3.29Å; V691-I696 HydrophobicContact CG1-CD1 3.4Å
692D74.6Confident72.1Confident38 Ų3866.5 Ų66.520%0.20337%0.37CS..  trans-89.4104.1175.4-173.9-25.7000109.6Y665 R694 A695Y665-D692 HydrophobicContact CE1-CB 4.31Å; D692-R694 VanDerWaalsContact C-N 3.28Å; D692-R694 PolarHBondContact O-N 3.07Å; D692-R694 WeakPolarHBondContact OD1-CA 3.49Å; D692-R694 VanDerWaalsContact OD1-CB 3.32Å; D692-R694 WeakPolarHBondContact OD1-CB 3.43Å; D692-R694 PolarHBondContact OD1-N 2.71Å; D692-A695 HydrophobicContact CB-CB 4.21Å; D692-A695 PolarHBondContact O-N 2.79Å; D692-A695 PolarHBondContact OD1-N 3.05Å
693F74.9Confident71.7Confident10 Ų1065 Ų654%0.04436%0.361CS..THydrogen-bonded Turntrans-75.9-17.2-177.5-59.1-71.7000112.7Q666 V691 A695 I696 A701 L702 Q705Q666-F693 VanDerWaalsContact OE1-N 3.09Å; V691-F693 HydrophobicContact CB-CE1 4.24Å; V691-F693 HydrophobicContact CB-CZ 4.07Å; V691-F693 HydrophobicContact CG1-CE1 4.26Å; V691-F693 WeakPolarHBondContact O-CE2 3.29Å; F693-A695 VanDerWaalsContact C-N 3.33Å; F693-I696 HydrophobicContact CD1-CD1 4.48Å; F693-I696 PolarHBondContact O-N 2.84Å; F693-A701 HydrophobicContact CD1-CB 4.12Å; F693-L702 HydrophobicContact CB-CB 4.3Å; F693-L702 HydrophobicContact CD2-CB 4.16Å; F693-L702 HydrophobicContact CD2-CD1 3.74Å; F693-L702 HydrophobicContact CE2-CD1 4.23Å; F693-L702 HydrophobicContact CG-CB 4.38Å; F693-Q705 VanDerWaalsContact CZ-CD 3.48Å; F693-Q705 HydrophobicContact CZ-CG 4.42Å
694R67.4Low71.3Confident161 Ų16163.5 Ų63.561%0.60836%0.357SS*.THydrogen-bonded Turntrans-71-33.3174-166.8175.9-177.2159.95.7110.4E507 D692E507-R694 IonicContact OE1-CZ 2.68Å; E507-R694 IonicContact OE1-NH1 3.55Å; E507-R694 PolarHBondContact OE1-NH1 3.06Å; E507-R694 VanDerWaalsContact OE1-NH1 3.08Å; E507-R694 IonicContact OE1-NH2 3.42Å; E507-R694 PolarHBondContact OE1-NH2 3.1Å; E507-R694 IonicContact OE2-NH2 3.3Å; D692-R694 VanDerWaalsContact C-N 3.28Å; D692-R694 PolarHBondContact O-N 3.07Å; D692-R694 WeakPolarHBondContact OD1-CA 3.49Å; D692-R694 VanDerWaalsContact OD1-CB 3.32Å; D692-R694 WeakPolarHBondContact OD1-CB 3.43Å; D692-R694 PolarHBondContact OD1-N 2.71Å
695A66.5Low70.7Confident84 Ų8460.4 Ų60.469%0.69435%0.348SS*.THydrogen-bonded Turntrans-72.7-26.717600000114D692 F693 G697D692-A695 HydrophobicContact CB-CB 4.21Å; D692-A695 PolarHBondContact O-N 2.79Å; D692-A695 PolarHBondContact OD1-N 3.05Å; F693-A695 VanDerWaalsContact C-N 3.33Å; A695-G697 VanDerWaalsContact C-N 3.31Å
696I63.7Low70.5Confident98 Ų9860.4 Ų60.450%0.50335%0.348SS..THydrogen-bonded Turntrans-81.1-11.8179.6-65.8171.3000112.1V691 F693 E698V691-I696 HydrophobicContact CG1-CD1 3.4Å; F693-I696 HydrophobicContact CD1-CD1 4.48Å; F693-I696 PolarHBondContact O-N 2.84Å; I696-E698 HydrophobicContact CG2-CG 4.36Å; I696-E698 PolarHBondContact O-N 3.26Å
697G58.1Low70.5Confident66 Ų6661.6 Ų61.668%0.6835%0.354SS*.THydrogen-bonded Turntrans83.2-7.5-179.100000114.5A695 S699A695-G697 VanDerWaalsContact C-N 3.31Å; G697-S699 PolarHBondContact O-N 3.25Å
698E58.8Low70.4Confident122 Ų12262.1 Ų62.157%0.5736%0.359SS*.  trans-100.174.4-179.4-63.8-168161.100112.3I696 G700 A701I696-E698 HydrophobicContact CG2-CG 4.36Å; I696-E698 PolarHBondContact O-N 3.26Å; E698-G700 PolarHBondContact O-N 3.29Å; E698-A701 HydrophobicContact CB-CB 3.83Å; E698-A701 WeakPolarHBondContact O-CB 3.33Å; E698-A701 PolarHBondContact O-N 2.91Å
699S56.6Low70.3Confident107 Ų10759.5 Ų59.575%0.74835%0.346SS*.THydrogen-bonded Turntrans-57-21.817758.30000114.1G697G697-S699 PolarHBondContact O-N 3.25Å
700G63.5Low70.5Confident45 Ų4560.9 Ų60.946%0.46435%0.352SS..THydrogen-bonded Turntrans-77.5-23.8172.900000115.4E698 L702 F703 L704E698-G700 PolarHBondContact O-N 3.29Å; G700-L702 VanDerWaalsContact C-N 3.29Å; G700-L702 PolarHBondContact O-N 2.94Å; G700-F703 PolarHBondContact O-N 3.05Å; G700-L704 PolarHBondContact O-N 3.38Å
701A66.5Low70.5Confident17 Ų1761.1 Ų61.114%0.1436%0.36CS..Hα-helixtrans-64.6-35.2-177.600000111.9F693 E698 F703 L704 Q705F693-A701 HydrophobicContact CD1-CB 4.12Å; E698-A701 HydrophobicContact CB-CB 3.83Å; E698-A701 WeakPolarHBondContact O-CB 3.33Å; E698-A701 PolarHBondContact O-N 2.91Å; A701-F703 VanDerWaalsContact C-N 3.3Å; A701-F703 PolarHBondContact O-N 3.46Å; A701-L704 PolarHBondContact O-N 3.38Å; A701-Q705 PolarHBondContact O-N 3.22Å
702L69.3Low71Confident27 Ų2759.6 Ų59.614%0.14135%0.351CS..Hα-helixtrans-51.4-47.3172.9178.768.9000112.1Q666 F693 G700 Q705 L706Q666-L702 HydrophobicContact CG-CD1 3.57Å; Q666-L702 HydrophobicContact CG-CD2 4.2Å; F693-L702 HydrophobicContact CB-CB 4.3Å; F693-L702 HydrophobicContact CD2-CB 4.16Å; F693-L702 HydrophobicContact CD2-CD1 3.74Å; F693-L702 HydrophobicContact CE2-CD1 4.23Å; F693-L702 HydrophobicContact CG-CB 4.38Å; G700-L702 VanDerWaalsContact C-N 3.29Å; G700-L702 PolarHBondContact O-N 2.94Å; L702-Q705 PolarHBondContact O-N 2.87Å; L702-L706 HydrophobicContact CD1-CD1 3.57Å; L702-L706 HydrophobicContact CG-CD1 3.89Å; L702-L706 WeakPolarHBondContact O-CB 3.28Å; L702-L706 PolarHBondContact O-N 2.62Å
703F70.1Confident71.5Confident105 Ų10558.6 Ų58.646%0.46134%0.344SS..Hα-helixtrans-65.2-42.3-178.6178.5-96.9000111.6L439 G700 A701 L707L439-F703 HydrophobicContact CB-CD2 4.43Å; L439-F703 HydrophobicContact CD1-CD2 4.36Å; L439-F703 HydrophobicContact CD1-CE2 4.18Å; G700-F703 PolarHBondContact O-N 3.05Å; A701-F703 VanDerWaalsContact C-N 3.3Å; A701-F703 PolarHBondContact O-N 3.46Å; F703-L707 WeakPolarHBondContact O-CB 3.29Å; F703-L707 PolarHBondContact O-N 2.83Å; F703-L707 VanDerWaalsContact O-N 3.09Å
704L68.6Low71.7Confident120 Ų12060.3 Ų60.363%0.62836%0.356SS*.Hα-helixtrans-64.3-45.4177.4-102.1139.4000112.3G700 A701 L707G700-L704 PolarHBondContact O-N 3.38Å; A701-L704 PolarHBondContact O-N 3.38Å; L704-L707 PolarHBondContact O-N 3.04Å
705Q71.9Confident72.6Confident60 Ų6053.9 Ų53.928%0.2833%0.334SS..Hα-helixtrans-70.4-35.1-180-67-158.517.800113.1F693 A701 L702 P709F693-Q705 VanDerWaalsContact CZ-CD 3.48Å; F693-Q705 HydrophobicContact CZ-CG 4.42Å; A701-Q705 PolarHBondContact O-N 3.22Å; L702-Q705 PolarHBondContact O-N 2.87Å; Q705-P709 WeakPolarHBondContact O-CD 3.36Å
706L77Confident73.5Confident3 Ų349.9 Ų49.92%0.01630%0.301CS..Hα-helixtrans-72.4-27.2174.4-88.7150.1000113.2L439 I659 L662 L702 A708 P709 I710L439-L706 HydrophobicContact CD2-CD1 4.45Å; I659-L706 HydrophobicContact CB-CD2 4.47Å; I659-L706 HydrophobicContact CG2-CD2 4Å; L662-L706 HydrophobicContact CB-CD2 4.42Å; L702-L706 HydrophobicContact CD1-CD1 3.57Å; L702-L706 HydrophobicContact CG-CD1 3.89Å; L702-L706 WeakPolarHBondContact O-CB 3.28Å; L702-L706 PolarHBondContact O-N 2.62Å; L706-A708 PolarHBondContact O-N 3.01Å; L706-P709 WeakPolarHBondContact O-CD 3.35Å; L706-I710 HydrophobicContact CB-CD1 4.25Å; L706-I710 WeakPolarHBondContact O-CB 3.35Å; L706-I710 WeakPolarHBondContact O-CD1 3.46Å; L706-I710 WeakPolarHBondContact O-CG1 3.21Å; L706-I710 PolarHBondContact O-N 3.26Å; L706-I710 VanDerWaalsContact O-N 3.13Å
707L77.5Confident74.3Confident89 Ų8946.7 Ų46.747%0.46628%0.284SS..Hα-helixtrans-61-40.2-176.8-176.464.4000113.1F703 L704 I710 A711F703-L707 WeakPolarHBondContact O-CB 3.29Å; F703-L707 PolarHBondContact O-N 2.83Å; F703-L707 VanDerWaalsContact O-N 3.09Å; L704-L707 PolarHBondContact O-N 3.04Å; L707-I710 PolarHBondContact O-N 3.02Å; L707-A711 WeakPolarHBondContact O-CB 3.41Å; L707-A711 PolarHBondContact O-N 2.91Å
708A76.2Confident75.3Confident19 Ų1946.1 Ų46.116%0.15727%0.266CS..Hα-helixtrans-71.8-46-17600000113.8V609 F613 L706 I710 A711 L712V609-A708 HydrophobicContact CG2-CB 4.35Å; F613-A708 HydrophobicContact CE2-CB 3.48Å; F613-A708 VanDerWaalsContact CE2-CB 3.48Å; F613-A708 HydrophobicContact CZ-CB 3.51Å; L706-A708 PolarHBondContact O-N 3.01Å; A708-I710 VanDerWaalsContact C-N 3.32Å; A708-I710 PolarHBondContact O-N 3.44Å; A708-A711 PolarHBondContact O-N 2.92Å; A708-L712 PolarHBondContact O-N 3.04Å
709P80.2Confident76.6Confident7 Ų740.4 Ų40.45%0.04524%0.239CC..Hα-helixtrans-57.7-39.8167.3-27.136.1000113.3V658 I659 Q705 L706 L712 F713V658-P709 HydrophobicContact CG1-CG 4.43Å; I659-P709 HydrophobicContact CD1-CB 4.25Å; I659-P709 HydrophobicContact CG1-CB 3.72Å; Q705-P709 WeakPolarHBondContact O-CD 3.36Å; L706-P709 WeakPolarHBondContact O-CD 3.35Å; P709-L712 PolarHBondContact O-N 3.44Å; P709-F713 WeakPolarHBondContact O-CB 3.38Å; P709-F713 PolarHBondContact O-N 3.09Å
710I80.5Confident77.8Confident31 Ų3136.9 Ų36.916%0.15921%0.211CC..Hα-helixtrans-63.7-41.9175.8-70.2167.7000110.9L439 I659 L706 L707 A708 F713 V714L439-I710 HydrophobicContact CD1-CD1 4.42Å; I659-I710 HydrophobicContact CD1-CG1 3.92Å; I659-I710 HydrophobicContact CG1-CG1 4.26Å; L706-I710 HydrophobicContact CB-CD1 4.25Å; L706-I710 WeakPolarHBondContact O-CB 3.35Å; L706-I710 WeakPolarHBondContact O-CD1 3.46Å; L706-I710 WeakPolarHBondContact O-CG1 3.21Å; L706-I710 PolarHBondContact O-N 3.26Å; L706-I710 VanDerWaalsContact O-N 3.13Å; L707-I710 PolarHBondContact O-N 3.02Å; A708-I710 VanDerWaalsContact C-N 3.32Å; A708-I710 PolarHBondContact O-N 3.44Å; I710-F713 PolarHBondContact O-N 3.25Å; I710-V714 WeakPolarHBondContact O-CG2 3.26Å; I710-V714 PolarHBondContact O-N 3.32Å
711A82.2Confident78.4Confident43 Ų4338.5 Ų38.536%0.35521%0.206SC..Hα-helixtrans-64.1-44.2176.200000111.8L707 A708 V714 V715L707-A711 WeakPolarHBondContact O-CB 3.41Å; L707-A711 PolarHBondContact O-N 2.91Å; A708-A711 PolarHBondContact O-N 2.92Å; A711-V714 PolarHBondContact O-N 3.4Å; A711-V715 WeakPolarHBondContact O-CB 3.13Å; A711-V715 WeakPolarHBondContact O-CG2 3.16Å; A711-V715 PolarHBondContact O-N 2.76Å
712L86Confident78.8Confident0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-61.4-44.2175.4-176.259.6000111.2V605 L606 V609 F622 L651 T655 A708 P709 V714 V715 T716V605-L712 HydrophobicContact CG1-CB 4.44Å; V605-L712 HydrophobicContact CG1-CD1 3.94Å; L606-L712 HydrophobicContact CD1-CD2 4.35Å; V609-L712 HydrophobicContact CG1-CD2 4.28Å; V609-L712 HydrophobicContact CG2-CB 4.41Å; V609-L712 HydrophobicContact CG2-CD2 4.49Å; F622-L712 HydrophobicContact CD1-CD2 4.27Å; F622-L712 HydrophobicContact CE1-CD2 3.73Å; F622-L712 HydrophobicContact CZ-CD2 4.16Å; L651-L712 HydrophobicContact CD1-CD2 4.37Å; L651-L712 HydrophobicContact CD2-CD1 4.41Å; T655-L712 HydrophobicContact CG2-CB 4.28Å; T655-L712 HydrophobicContact CG2-CD2 3.59Å; T655-L712 HydrophobicContact CG2-CG 3.84Å; A708-L712 PolarHBondContact O-N 3.04Å; P709-L712 PolarHBondContact O-N 3.44Å; L712-V714 PolarHBondContact O-N 3.37Å; L712-V715 PolarHBondContact O-N 2.86Å; L712-T716 HydrophobicContact CD1-CG2 4.01Å; L712-T716 HydrophobicContact CG-CG2 4.41Å; L712-T716 WeakPolarHBondContact O-CG2 3.31Å; L712-T716 PolarHBondContact O-N 3.38Å; L712-T716 PolarHBondContact O-OG1 3.33Å; L712-T716 VanDerWaalsContact O-OG1 3.09Å
713F85.8Confident79.4Confident16 Ų1644.2 Ų44.27%0.0723%0.227CC..Hα-helixtrans-58-45.4174.6174.3-93.9000112.6T652 I659 P709 I710 T716 M717T652-F713 HydrophobicContact CG2-CD2 3.72Å; T652-F713 HydrophobicContact CG2-CE2 3.86Å; I659-F713 HydrophobicContact CD1-CB 4.2Å; P709-F713 WeakPolarHBondContact O-CB 3.38Å; P709-F713 PolarHBondContact O-N 3.09Å; I710-F713 PolarHBondContact O-N 3.25Å; F713-T716 PolarHBondContact O-OG1 3.02Å; F713-M717 HydrophobicContact CE1-CG 4.36Å; F713-M717 HydrophobicContact CE2-CE 4.3Å; F713-M717 HydrophobicContact CE2-CG 4.38Å; F713-M717 HydrophobicContact CZ-CE 4.4Å; F713-M717 HydrophobicContact CZ-CG 4.19Å; F713-M717 VanDerWaalsContact O-CB 3.26Å; F713-M717 WeakPolarHBondContact O-CB 3.48Å; F713-M717 WeakPolarHBondContact O-CG 3.23Å; F713-M717 PolarHBondContact O-N 3.24Å
714V80.2Confident80.1Confident46 Ų4640.6 Ų40.628%0.27921%0.211SC..Hα-helixtrans-65.7-44.1177.7171.80000111.1I710 A711 L712 M717 L718I710-V714 WeakPolarHBondContact O-CG2 3.26Å; I710-V714 PolarHBondContact O-N 3.32Å; A711-V714 PolarHBondContact O-N 3.4Å; L712-V714 PolarHBondContact O-N 3.37Å; V714-M717 PolarHBondContact O-N 3.38Å; V714-L718 HydrophobicContact CG1-CD1 4.18Å; V714-L718 VanDerWaalsContact O-CG 3.32Å; V714-L718 WeakPolarHBondContact O-CG 3.32Å; V714-L718 PolarHBondContact O-N 2.87Å
715V85.5Confident80.4Confident27 Ų2736.8 Ų36.816%0.16420%0.2CC..Hα-helixtrans-66.4-43.5-179.3169.10000111.8F598 V602 V605 A711 L712 L718 Q719F598-V715 HydrophobicContact CE1-CG1 4.08Å; F598-V715 HydrophobicContact CZ-CG1 4.26Å; V602-V715 HydrophobicContact CB-CG1 4.43Å; V602-V715 HydrophobicContact CG1-CG1 4.46Å; V602-V715 HydrophobicContact CG2-CG1 3.99Å; V605-V715 HydrophobicContact CG2-CG1 4.5Å; A711-V715 WeakPolarHBondContact O-CB 3.13Å; A711-V715 WeakPolarHBondContact O-CG2 3.16Å; A711-V715 PolarHBondContact O-N 2.76Å; L712-V715 PolarHBondContact O-N 2.86Å; V715-L718 PolarHBondContact O-N 3.43Å; V715-Q719 PolarHBondContact O-N 2.9Å
716T85.7Confident80.8Confident0 Ų035.3 Ų35.30%020%0.196CC..Hα-helixtrans-67.9-36.3176.359.90000111.9V602 L651 T652 L712 F713 Q719 L720V602-T716 HydrophobicContact CG1-CG2 3.92Å; L651-T716 HydrophobicContact CD2-CG2 3.75Å; L651-T716 HydrophobicContact CG-CG2 4.18Å; T652-T716 VanDerWaalsContact OG1-CB 3.26Å; T652-T716 WeakPolarHBondContact OG1-CB 3.46Å; T652-T716 PolarHBondContact OG1-OG1 3.31Å; L712-T716 HydrophobicContact CD1-CG2 4.01Å; L712-T716 HydrophobicContact CG-CG2 4.41Å; L712-T716 WeakPolarHBondContact O-CG2 3.31Å; L712-T716 PolarHBondContact O-N 3.38Å; L712-T716 PolarHBondContact O-OG1 3.33Å; L712-T716 VanDerWaalsContact O-OG1 3.09Å; F713-T716 PolarHBondContact O-OG1 3.02Å; T716-Q719 PolarHBondContact O-N 3.49Å; T716-L720 WeakPolarHBondContact O-CB 3.43Å; T716-L720 WeakPolarHBondContact O-CG 3.39Å; T716-L720 PolarHBondContact O-N 3.13Å
717M80.3Confident81Confident30 Ų3035.9 Ų35.915%0.14820%0.198CC..Hα-helixtrans-63.5-38.3171.8-85-74.8168.100113I458 T652 F713 V714 L720 K721I458-M717 HydrophobicContact CG1-CE 4.18Å; T652-M717 HydrophobicContact CG2-CE 3.62Å; T652-M717 HydrophobicContact CG2-CG 4.01Å; F713-M717 HydrophobicContact CE1-CG 4.36Å; F713-M717 HydrophobicContact CE2-CE 4.3Å; F713-M717 HydrophobicContact CE2-CG 4.38Å; F713-M717 HydrophobicContact CZ-CE 4.4Å; F713-M717 HydrophobicContact CZ-CG 4.19Å; F713-M717 VanDerWaalsContact O-CB 3.26Å; F713-M717 WeakPolarHBondContact O-CB 3.48Å; F713-M717 WeakPolarHBondContact O-CG 3.23Å; F713-M717 PolarHBondContact O-N 3.24Å; V714-M717 PolarHBondContact O-N 3.38Å; M717-L720 PolarHBondContact O-N 3.3Å; M717-K721 WeakPolarHBondContact O-CB 3.33Å; M717-K721 WeakPolarHBondContact O-CG 3.29Å; M717-K721 PolarHBondContact O-N 3.1Å
718L79.6Confident81.1Confident55 Ų5533.8 Ų33.829%0.28819%0.191SC..Hα-helixtrans-65.5-42.8173.8-71.9172000111.8F598 V714 V715 L720 K721 F722 F723F598-L718 HydrophobicContact CE1-CB 4.24Å; F598-L718 HydrophobicContact CZ-CB 3.96Å; F598-L718 HydrophobicContact CZ-CD1 4.47Å; V714-L718 HydrophobicContact CG1-CD1 4.18Å; V714-L718 VanDerWaalsContact O-CG 3.32Å; V714-L718 WeakPolarHBondContact O-CG 3.32Å; V714-L718 PolarHBondContact O-N 2.87Å; V715-L718 PolarHBondContact O-N 3.43Å; L718-L720 PolarHBondContact O-N 3.05Å; L718-K721 PolarHBondContact O-N 2.75Å; L718-F722 HydrophobicContact CD2-CD2 3.67Å; L718-F722 HydrophobicContact CD2-CE2 3.69Å; L718-F722 PolarHBondContact O-N 2.69Å; L718-F723 HydrophobicContact CB-CE2 4.41Å
719Q85Confident81Confident1 Ų141.8 Ų41.81%0.00522%0.217CC..Iπ-helixtrans-58.3-46.7173.8173.566.8-13.100111.4F598 V602 W648 V715 T716 F723 H724F598-Q719 HydrophobicContact CD1-CB 3.9Å; F598-Q719 HydrophobicContact CE1-CB 3.93Å; V602-Q719 HydrophobicContact CG2-CB 3.81Å; V602-Q719 HydrophobicContact CG2-CG 3.99Å; W648-Q719 HydrophobicContact CG-CG 4.34Å; V715-Q719 PolarHBondContact O-N 2.9Å; T716-Q719 PolarHBondContact O-N 3.49Å; Q719-F723 PolarHBondContact O-N 2.91Å; Q719-H724 WeakPolarHBondContact O-CB 3.45Å; Q719-H724 PolarHBondContact O-N 2.92Å
720L82.2Confident80.6Confident33 Ų3344.4 Ų44.417%0.17324%0.239CC..Iπ-helixtrans-66.7-44.2179.1-76.1167.6000112.9Y645 W648 T716 M717 L718Y645-L720 HydrophobicContact CD2-CD2 4.12Å; Y645-L720 HydrophobicContact CE2-CD2 3.86Å; W648-L720 HydrophobicContact CB-CD2 3.98Å; W648-L720 HydrophobicContact CB-CG 4.2Å; T716-L720 WeakPolarHBondContact O-CB 3.43Å; T716-L720 WeakPolarHBondContact O-CG 3.39Å; T716-L720 PolarHBondContact O-N 3.13Å; M717-L720 PolarHBondContact O-N 3.3Å; L718-L720 PolarHBondContact O-N 3.05Å
721K76.2Confident80.1Confident79 Ų7944.6 Ų44.634%0.34324%0.242SC..Iπ-helixtrans-79.6-38-174.8-71.7-168.4-176.7-172.80114.6W457 F459 M717 L718W457-K721 PolarHBondContact O-NZ 3.19Å; F459-K721 PolarHBondContact O-NZ 3.28Å; M717-K721 WeakPolarHBondContact O-CB 3.33Å; M717-K721 WeakPolarHBondContact O-CG 3.29Å; M717-K721 PolarHBondContact O-N 3.1Å; L718-K721 PolarHBondContact O-N 2.75Å
722F75.9Confident79.4Confident131 Ų13144.5 Ų44.558%0.57524%0.238SC*.Iπ-helixtrans-115.1-33-169.3-61.6-64.3000114.7L718L718-F722 HydrophobicContact CD2-CD2 3.67Å; L718-F722 HydrophobicContact CD2-CE2 3.69Å; L718-F722 PolarHBondContact O-N 2.69Å
723F81.6Confident78.2Confident34 Ų3448.7 Ų48.715%0.14927%0.266CS..Iπ-helixtrans-115.1-22.9-162-55.7-52000116.3V594 F598 L718 Q719 G725 P726 W727V594-F723 HydrophobicContact CG1-CE1 4.12Å; V594-F723 HydrophobicContact CG1-CZ 4.06Å; F598-F723 HydrophobicContact CB-CB 4.08Å; F598-F723 HydrophobicContact CB-CD2 3.9Å; F598-F723 HydrophobicContact CB-CG 4.05Å; F598-F723 AromaticContact CD1-CD2 3.57Å; F598-F723 HydrophobicContact CD1-CD2 3.57Å; F598-F723 HydrophobicContact CD1-CE2 4.2Å; F598-F723 HydrophobicContact CD1-CG 4.4Å; F598-F723 AromaticContact CD2-CD2 3.54Å; F598-F723 HydrophobicContact CD2-CD2 3.54Å; F598-F723 AromaticContact CD2-CE2 3.44Å; F598-F723 HydrophobicContact CD2-CE2 3.44Å; F598-F723 VanDerWaalsContact CD2-CE2 3.44Å; F598-F723 HydrophobicContact CD2-CG 4.4Å; F598-F723 HydrophobicContact CD2-CZ 4.23Å; F598-F723 AromaticContact CE1-CD2 3.89Å; F598-F723 HydrophobicContact CE1-CD2 3.89Å; F598-F723 HydrophobicContact CE1-CE2 4.22Å; F598-F723 AromaticContact CE2-CD2 3.87Å; F598-F723 HydrophobicContact CE2-CD2 3.87Å; F598-F723 AromaticContact CE2-CE2 3.47Å; F598-F723 HydrophobicContact CE2-CE2 3.47Å; F598-F723 VanDerWaalsContact CE2-CE2 3.47Å; F598-F723 HydrophobicContact CE2-CZ 4.4Å; F598-F723 HydrophobicContact CG-CB 4.38Å; F598-F723 AromaticContact CG-CD2 3.37Å; F598-F723 HydrophobicContact CG-CD2 3.37Å; F598-F723 AromaticContact CG-CE2 3.82Å; F598-F723 HydrophobicContact CG-CE2 3.82Å; F598-F723 HydrophobicContact CG-CG 4.04Å; F598-F723 HydrophobicContact CZ-CD2 4.03Å; F598-F723 AromaticContact CZ-CE2 3.87Å; F598-F723 HydrophobicContact CZ-CE2 3.87Å; L718-F723 HydrophobicContact CB-CE2 4.41Å; Q719-F723 PolarHBondContact O-N 2.91Å; F723-G725 PolarHBondContact O-N 3.43Å; F723-P726 VanDerWaalsContact O-CD 3.32Å; F723-P726 WeakPolarHBondContact O-CD 3.45Å; F723-W727 PolarHBondContact O-N 2.97Å
724H83.3Confident76.7Confident29 Ų2959.3 Ų59.313%0.13431%0.305CS..Hα-helixtrans-60.8-43179.7-177.480.5000113.5Y645 Q719 W727 S728Y645-H724 AromaticContact CD2-CD2 3.74Å; Y645-H724 AromaticContact CD2-NE2 3.68Å; Q719-H724 WeakPolarHBondContact O-CB 3.45Å; Q719-H724 PolarHBondContact O-N 2.92Å; H724-W727 PolarHBondContact O-N 2.77Å; H724-S728 PolarHBondContact O-N 3.49Å
725G76.5Confident75.1Confident39 Ų3967.9 Ų67.940%0.40233%0.333SS..Hα-helixtrans-63.7-42.7-178.900000114.7F723 R729F723-G725 PolarHBondContact O-N 3.43Å; G725-R729 PolarHBondContact O-NE 3.46Å; G725-R729 VanDerWaalsContact O-NE 3.16Å
726P78.6Confident72.8Confident30 Ų3071.8 Ų71.820%0.19537%0.368CS..Hα-helixtrans-60.1-49.1167.1-29.335.9000114.5S595 F723 S728 R729 A730S595-P726 WeakPolarHBondContact OG-CB 3.41Å; F723-P726 VanDerWaalsContact O-CD 3.32Å; F723-P726 WeakPolarHBondContact O-CD 3.45Å; P726-S728 PolarHBondContact O-N 3.35Å; P726-R729 PolarHBondContact O-N 3.01Å; P726-A730 PolarHBondContact O-N 2.98Å; P726-A730 VanDerWaalsContact O-N 3.09Å
727W82.7Confident70.6Confident15 Ų1579 Ų796%0.05740%0.402CS..Hα-helixtrans-61-42.2-177.4174.687.2000113.5I599 Y640 R641 A644 F723 H724 R729 A730 T731I599-W727 HydrophobicContact CD1-CD2 4.15Å; I599-W727 HydrophobicContact CD1-CH2 4.08Å; I599-W727 HydrophobicContact CD1-CZ2 3.54Å; Y640-W727 HydrophobicContact CE1-CH2 4.34Å; Y640-W727 HydrophobicContact CE1-CZ2 4.12Å; R641-W727 HydrophobicContact CG-CH2 4.32Å; R641-W727 HydrophobicContact CG-CZ3 4.41Å; A644-W727 HydrophobicContact CB-CH2 4.14Å; A644-W727 HydrophobicContact CB-CZ3 4.02Å; F723-W727 PolarHBondContact O-N 2.97Å; H724-W727 PolarHBondContact O-N 2.77Å; W727-R729 VanDerWaalsContact C-N 3.29Å; W727-R729 PolarHBondContact O-N 2.9Å; W727-A730 PolarHBondContact O-N 2.98Å; W727-A730 VanDerWaalsContact O-N 3.16Å; W727-T731 HydrophobicContact CZ2-CG2 4.36Å; W727-T731 PolarHBondContact O-N 3.44Å; W727-T731 PolarHBondContact O-OG1 3.04Å
728S78.9Confident68.4Low44 Ų4484.1 Ų84.131%0.30843%0.429SS..Hα-helixtrans-62.9-34.7178.5-176.60000112.6H724 P726 S732H724-S728 PolarHBondContact O-N 3.49Å; P726-S728 PolarHBondContact O-N 3.35Å; S728-S732 PolarHBondContact O-N 3.02Å
729R74.8Confident66Low187 Ų18789.2 Ų89.271%0.70646%0.457SS*.Hα-helixtrans-74.6-29.8174.6-73.2-177.1-71.5161-2.3113.3G725 P726 W727 S732G725-R729 PolarHBondContact O-NE 3.46Å; G725-R729 VanDerWaalsContact O-NE 3.16Å; P726-R729 PolarHBondContact O-N 3.01Å; W727-R729 VanDerWaalsContact C-N 3.29Å; W727-R729 PolarHBondContact O-N 2.9Å; R729-S732 PolarHBondContact O-OG 2.89Å
730A70.6Confident63.6Low62 Ų6292.9 Ų92.951%0.51248%0.481SS..Hα-helixtrans-77-21.3178.900000113.8V596 P726 W727V596-A730 HydrophobicContact CG2-CB 4.09Å; P726-A730 PolarHBondContact O-N 2.98Å; P726-A730 VanDerWaalsContact O-N 3.09Å; W727-A730 PolarHBondContact O-N 2.98Å; W727-A730 VanDerWaalsContact O-N 3.16Å
731T71.7Confident61.2Low35 Ų3597.6 Ų97.622%0.21551%0.514CS..SBendtrans-108.81.4-174.954.50000114.1F637 W727F637-T731 HydrophobicContact CZ-CG2 4.48Å; W727-T731 HydrophobicContact CZ2-CG2 4.36Å; W727-T731 PolarHBondContact O-N 3.44Å; W727-T731 PolarHBondContact O-OG1 3.04Å
732S67.5Low59.2Low41 Ų4199.1 Ų99.129%0.28753%0.529SS..SBendtrans-77.5133.6175.667.40000110.9R641 S728 R729 R734R641-S732 VanDerWaalsContact NH1-CB 3.3Å; S728-S732 PolarHBondContact O-N 3.02Å; R729-S732 PolarHBondContact O-OG 2.89Å; S732-R734 PolarHBondContact O-N 3.45Å
733P59.1Low57Low89 Ų8997.2 Ų97.258%0.57853%0.532SS*.  trans-66.9106.3163.627.9-31000107R735P733-R735 PolarHBondContact O-N 2.97Å
734R55.4Low54.6Low238 Ų238102 Ų10290%0.89856%0.564SS**  trans-57.8106.2171.8-92.5180159.7169.3-8.8108.2S732S732-R734 PolarHBondContact O-N 3.45Å
735R46.3Very low52Low227 Ų227106.9 Ų106.986%0.85760%0.597SS**  trans-59.4136.3156.5-86.3-176.2175.9149.4-2.4107P733 E737P733-R735 PolarHBondContact O-N 2.97Å; R735-E737 PolarHBondContact O-N 3.49Å
736A38Very low49.7Very low108 Ų108113.6 Ų113.689%0.89362%0.617SS**  trans-72.995.1178.900000109.2
737E38.2Very low47.3Very low153 Ų153115.9 Ų115.972%0.71564%0.639SS**  trans-155.8117175.3-154.8151.1-16300112.6R735R735-E737 PolarHBondContact O-N 3.49Å
738N34.2Very low44.8Very low136 Ų136120.4 Ų120.473%0.72768%0.679SS**SBendtrans6447145.4-54.6-11.3000121
739D30.2Very low42.4Very low163 Ų163122.2 Ų122.287%0.87270%0.697SS**  trans-131.989.1136.8-102.6-27.7000107.8
740P33.1Very low40.3Very low78 Ų78118 Ų11851%0.50669%0.692SS.*  trans-69150.116531.6-33.1000108.9T742P740-T742 PolarHBondContact O-N 3.11Å; P740-T742 PolarHBondContact O-OG1 3.14Å
741P33.5Very low38.4Very low132 Ų132119.8 Ų119.886%0.85771%0.707SS**  trans-63.394.5143.229.4-28.4000106S743P741-S743 PolarHBondContact O-N 3.33Å
742T34.3Very low36.6Very low110 Ų110121.9 Ų121.968%0.67572%0.723SS**  trans-55.9121.9-168.9-36.10000110.8P740P740-T742 PolarHBondContact O-N 3.11Å; P740-T742 PolarHBondContact O-OG1 3.14Å
743S28.1Very low34.8Very low91 Ų91126.6 Ų126.664%0.63675%0.75SS**  trans28.6123.7156.462.10000117.9P741P741-S743 PolarHBondContact O-N 3.33Å
744T31.2Very low33.3Very low134 Ų134127.3 Ų127.382%0.82276%0.758SS**  -134.7128.159.6320000115.2E746T744-E746 PolarHBondContact O-N 3.21Å
745T29.6Very low32Very low132 Ų132119.2 Ų119.281%0.8175%0.748SS**THydrogen-bonded Turntrans-46.9116154.234.30000112.1
746E28.2Very low31.5Very low180 Ų180115.1 Ų115.184%0.84175%0.749SS**THydrogen-bonded Turntrans178.7-18.5144.6-104.7170.8-160.600113.1T744 A748T744-E746 PolarHBondContact O-N 3.21Å; E746-A748 VanDerWaalsContact C-N 3.31Å; E746-A748 PolarHBondContact O-N 3.34Å
747A28.3Very low31.1Very low79 Ų79119.7 Ų119.765%0.65375%0.751SS**G310 helixtrans-78.4-0.1-175.700000116.5A749A747-A749 VanDerWaalsContact C-N 3.34Å; A747-A749 PolarHBondContact O-N 2.95Å
748A29.2Very low30.5Very low109 Ų109115.8 Ų115.890%0.90175%0.752SS**G310 helixtrans-81.7-5.4-173.600000115.1E746E746-A748 VanDerWaalsContact C-N 3.31Å; E746-A748 PolarHBondContact O-N 3.34Å
749A29.5Very low30.2Very low83 Ų83116.7 Ų116.769%0.68675%0.745SS**G310 helixtrans-1221178.800000114.2A747A747-A749 VanDerWaalsContact C-N 3.34Å; A747-A749 PolarHBondContact O-N 2.95Å
750V31Very low30Very low97 Ų97112.5 Ų112.559%0.58873%0.733SS**THydrogen-bonded Turntrans-121.4-3.4-177.2-172.10000112.3S752V750-S752 PolarHBondContact O-N 3.26Å; V750-S752 VanDerWaalsContact O-N 3.14Å
751A31Very low30Very low100 Ų100115.7 Ų115.783%0.82674%0.741SS**SBendtrans-69.8-2.5171.200000113.8
752S32.1Very low29.9Very low80 Ų80114.2 Ų114.256%0.55974%0.74SS**SBendtrans-105.5121.7161.948.70000109.7V750V750-S752 PolarHBondContact O-N 3.26Å; V750-S752 VanDerWaalsContact O-N 3.14Å
753T30.1Very low30.1Very low140 Ų140114 Ų11486%0.85975%0.749SS**SBendtrans6380.5167.139.40000119.2
754S28.2Very low30.5Very low104 Ų104112.9 Ų112.973%0.72775%0.752SS**  trans177.9141.613556.80000114
755G28.4Very low31.2Very low68 Ų68110.6 Ų110.670%0.70174%0.735SS**  trans84.599.6166.900000114.8
756T35.7Very low32.4Very low141 Ų141108.3 Ų108.387%0.86572%0.721SS**  cis58.779.136.834.20000116.2
757Q28.2Very low33.1Very low204 Ų204106 Ų10695%0.95371%0.713SS**  trans153.5126157.3-90.7174.411.300106
758G26.4Very low34.2Very low70 Ų70107.5 Ų107.572%0.72271%0.714SS**  cis-177.6166-7.100000108.2
759R28.3Very low35.6Very low155 Ų155108.2 Ų108.259%0.58570%0.697SS**  trans60109.3-177.2-75.6178.4163.480.15.2115.3T1450 D1451R759-T1450 PolarHBondContact NH2-O 3.49Å; R759-D1451 IonicContact CZ-OD1 3.87Å; R759-D1451 IonicContact NE-OD1 3.81Å; R759-D1451 PolarHBondContact NE-OD1 2.83Å; R759-D1451 IonicContact NE-OD2 3.05Å; R759-D1451 IonicContact NH2-OD1 2.98Å; R759-D1451 IonicContact NH2-OD2 3.67Å
760A26.5Very low37Very low75 Ų75111 Ų11162%0.6269%0.694SS**  79.3144.880.200000113.6
761H32.3Very low38.7Very low146 Ų146111.6 Ų111.668%0.67669%0.693SS**  trans66.673.6-179.3-50.6-88.6000118.3E1454H761-E1454 IonicContact CE1-OE1 2.71Å; H761-E1454 PolarHBondContact CE1-OE1 3.37Å
762A31.9Very low40.4Very low101 Ų101111.9 Ų111.984%0.83568%0.677SS**  trans-122.820.1164.100000114.1G764A762-G764 VanDerWaalsContact C-N 3.34Å
763A37.8Very low42.4Very low105 Ų105114.9 Ų114.987%0.86868%0.68SS**  trans-79.9-10.9-179.300000114.3D765A763-D765 VanDerWaalsContact C-N 3.33Å; A763-D765 PolarHBondContact O-N 2.88Å
764G36.7Very low44.3Very low68 Ų68113.2 Ų113.270%0.70167%0.666SS**  trans-84.326.4-170.200000116.8A762 T766A762-G764 VanDerWaalsContact C-N 3.34Å; G764-T766 VanDerWaalsContact C-N 3.27Å; G764-T766 PolarHBondContact O-N 2.94Å
765D45.4Very low46.2Very low85 Ų85109.8 Ų109.846%0.45564%0.644SS.*  trans-75.982.7-178.4-140.324.4000110.4A763 K769A763-D765 VanDerWaalsContact C-N 3.33Å; A763-D765 PolarHBondContact O-N 2.88Å; D765-K769 WeakPolarHBondContact OD1-CD 3.34Å; D765-K769 IonicContact OD1-NZ 2.95Å; D765-K769 PolarHBondContact OD1-NZ 3.26Å
766T55.1Low48.4Very low85 Ų85110.3 Ų110.352%0.52163%0.63SS.*  trans-42.2140.5-168.3540000114.2G764 V768 K769G764-T766 VanDerWaalsContact C-N 3.27Å; G764-T766 PolarHBondContact O-N 2.94Å; T766-V768 PolarHBondContact O-N 2.96Å; T766-K769 PolarHBondContact O-N 3.42Å
767L43.6Very low50.4Low130 Ų130109.4 Ų109.468%0.68162%0.616SS**Hα-helixtrans-48.8-33.2-176.6-170.8144.2000113K769 K770 L771L767-K769 PolarHBondContact O-N 2.94Å; L767-K770 PolarHBondContact O-N 3.48Å; L767-L771 HydrophobicContact CD2-CD1 3.63Å; L767-L771 WeakPolarHBondContact O-CB 3.42Å; L767-L771 PolarHBondContact O-N 2.94Å
768V50.4Low52.6Low111 Ų111103 Ų10367%0.67359%0.591SS**Hα-helixtrans-59.7-41.4174.2-176.40000113.6T766 L771 H772T766-V768 PolarHBondContact O-N 2.96Å; V768-L771 PolarHBondContact O-N 3.41Å; V768-H772 WeakPolarHBondContact O-CB 3.27Å; V768-H772 PolarHBondContact O-N 3.38Å
769K58.6Low55.1Low124 Ų124103.1 Ų103.154%0.53957%0.574SS.*Hα-helixtrans-65.8-42.3175.6-86.3-175.7-177.9177.70111.6D765 T766 L767 H772 K773D765-K769 WeakPolarHBondContact OD1-CD 3.34Å; D765-K769 IonicContact OD1-NZ 2.95Å; D765-K769 PolarHBondContact OD1-NZ 3.26Å; T766-K769 PolarHBondContact O-N 3.42Å; L767-K769 PolarHBondContact O-N 2.94Å; K769-H772 PolarHBondContact O-N 3.38Å; K769-K773 WeakPolarHBondContact O-CB 3.46Å; K769-K773 PolarHBondContact O-N 3.24Å
770K60.3Low57.7Low143 Ų14397.3 Ų97.362%0.62255%0.554SS**Hα-helixtrans-63.3-44.3174.8-80177.7178.3168.60111L767 K773 L774L767-K770 PolarHBondContact O-N 3.48Å; K770-K773 PolarHBondContact O-N 3.1Å; K770-L774 VanDerWaalsContact O-CB 3.22Å; K770-L774 WeakPolarHBondContact O-CB 3.24Å; K770-L774 PolarHBondContact O-N 2.87Å
771L65.5Low60.2Low109 Ų10996.7 Ų96.757%0.57154%0.54SS*.Hα-helixtrans-67.2-36.3178.3-137.1147.2000111.8L767 V768 A775L767-L771 HydrophobicContact CD2-CD1 3.63Å; L767-L771 WeakPolarHBondContact O-CB 3.42Å; L767-L771 PolarHBondContact O-N 2.94Å; V768-L771 PolarHBondContact O-N 3.41Å; L771-A775 WeakPolarHBondContact O-CA 3.48Å; L771-A775 WeakPolarHBondContact O-CB 3.49Å; L771-A775 PolarHBondContact O-N 2.89Å
772H67.7Low62.6Low106 Ų10694.1 Ų94.149%0.49153%0.531SS..Hα-helixtrans-70.5-38.8173.3-175-89.6000112.6V768 K769 N776V768-H772 WeakPolarHBondContact O-CB 3.27Å; V768-H772 PolarHBondContact O-N 3.38Å; K769-H772 PolarHBondContact O-N 3.38Å; H772-N776 PolarHBondContact CE1-ND2 2.91Å; H772-N776 VanDerWaalsContact CE1-ND2 3.32Å; H772-N776 WeakPolarHBondContact O-CB 3.4Å; H772-N776 VanDerWaalsContact O-CG 3.31Å; H772-N776 PolarHBondContact O-N 3.24Å
773K73.3Confident65.2Low142 Ų14291.5 Ų91.562%0.61750%0.499SS*.Hα-helixtrans-66-42.3173.6-172.2174.2-178.2176.50111.2K769 K770 N776 Q777K769-K773 WeakPolarHBondContact O-CB 3.46Å; K769-K773 PolarHBondContact O-N 3.24Å; K770-K773 PolarHBondContact O-N 3.1Å; K773-N776 PolarHBondContact O-N 3.44Å; K773-Q777 WeakPolarHBondContact O-CB 3.44Å; K773-Q777 VanDerWaalsContact O-CG 3.32Å; K773-Q777 WeakPolarHBondContact O-CG 3.48Å; K773-Q777 PolarHBondContact O-N 3.2Å
774L69.9Low67.3Low106 Ų10690.2 Ų90.256%0.55547%0.472SS*.Hα-helixtrans-69.3-40176.8-164.6154.9000111.2K770 Q777 T778K770-L774 VanDerWaalsContact O-CB 3.22Å; K770-L774 WeakPolarHBondContact O-CB 3.24Å; K770-L774 PolarHBondContact O-N 2.87Å; L774-Q777 PolarHBondContact O-N 2.99Å; L774-T778 HydrophobicContact CD2-CG2 3.89Å; L774-T778 WeakPolarHBondContact O-CB 3.5Å; L774-T778 WeakPolarHBondContact O-CG2 3.37Å; L774-T778 PolarHBondContact O-N 3.06Å; L774-T778 PolarHBondContact O-OG1 3.4Å
775A69.1Low69.6Low32 Ų3291.2 Ų91.226%0.26446%0.457SS..Hα-helixtrans-61.3-45.5171.800000111.4L771 Q777 T778 I779L771-A775 WeakPolarHBondContact O-CA 3.48Å; L771-A775 WeakPolarHBondContact O-CB 3.49Å; L771-A775 PolarHBondContact O-N 2.89Å; A775-Q777 PolarHBondContact O-N 3.3Å; A775-T778 WeakPolarHBondContact CA-OG1 3.37Å; A775-T778 PolarHBondContact O-N 3.32Å; A775-T778 PolarHBondContact O-OG1 3.22Å; A775-I779 VanDerWaalsContact O-CB 3.24Å; A775-I779 WeakPolarHBondContact O-CB 3.12Å; A775-I779 WeakPolarHBondContact O-CD1 3.39Å; A775-I779 WeakPolarHBondContact O-CG1 3.28Å; A775-I779 PolarHBondContact O-N 3.14Å
776N74.8Confident71.6Confident79 Ų7989.6 Ų89.642%0.42245%0.446SS..Hα-helixtrans-64.4-40.4175.6-75.2-5.4000112H772 K773 E780H772-N776 PolarHBondContact CE1-ND2 2.91Å; H772-N776 VanDerWaalsContact CE1-ND2 3.32Å; H772-N776 WeakPolarHBondContact O-CB 3.4Å; H772-N776 VanDerWaalsContact O-CG 3.31Å; H772-N776 PolarHBondContact O-N 3.24Å; K773-N776 PolarHBondContact O-N 3.44Å; N776-E780 WeakPolarHBondContact O-CG 3.49Å; N776-E780 PolarHBondContact O-N 3.31Å
777Q76.4Confident73Confident121 Ų12186.6 Ų86.657%0.56543%0.426SS*.Hα-helixtrans-66.5-39.1175.9-76.3177.7-29.600112.8K773 L774 A775 L781K773-Q777 WeakPolarHBondContact O-CB 3.44Å; K773-Q777 VanDerWaalsContact O-CG 3.32Å; K773-Q777 WeakPolarHBondContact O-CG 3.48Å; K773-Q777 PolarHBondContact O-N 3.2Å; L774-Q777 PolarHBondContact O-N 2.99Å; A775-Q777 PolarHBondContact O-N 3.3Å; Q777-L781 WeakPolarHBondContact O-CB 3.42Å; Q777-L781 PolarHBondContact O-N 2.91Å
778T75.3Confident74.7Confident69 Ų6982.3 Ų82.342%0.42341%0.405SS..Hα-helixtrans-73.4-36176.248.50000112.1L774 A775 L781 L782L774-T778 HydrophobicContact CD2-CG2 3.89Å; L774-T778 WeakPolarHBondContact O-CB 3.5Å; L774-T778 WeakPolarHBondContact O-CG2 3.37Å; L774-T778 PolarHBondContact O-N 3.06Å; L774-T778 PolarHBondContact O-OG1 3.4Å; A775-T778 WeakPolarHBondContact CA-OG1 3.37Å; A775-T778 PolarHBondContact O-N 3.32Å; A775-T778 PolarHBondContact O-OG1 3.22Å; T778-L781 PolarHBondContact O-N 3.03Å; T778-L782 VanDerWaalsContact O-CB 3.24Å; T778-L782 WeakPolarHBondContact O-CB 3.39Å; T778-L782 PolarHBondContact O-N 3.11Å
779I79.3Confident76.4Confident73 Ų7379.8 Ų79.837%0.37439%0.386SS..Hα-helixtrans-61.9-48.2171.2-72.1165000110A775 L781 L782 W783A775-I779 VanDerWaalsContact O-CB 3.24Å; A775-I779 WeakPolarHBondContact O-CB 3.12Å; A775-I779 WeakPolarHBondContact O-CD1 3.39Å; A775-I779 WeakPolarHBondContact O-CG1 3.28Å; A775-I779 PolarHBondContact O-N 3.14Å; I779-L781 PolarHBondContact O-N 3.22Å; I779-L782 WeakPolarHBondContact O-CB 3.28Å; I779-L782 PolarHBondContact O-N 3.12Å; I779-W783 PolarHBondContact O-N 2.84Å
780E81.1Confident77.7Confident33 Ų3374.4 Ų74.415%0.15436%0.363CS..Hα-helixtrans-65.5-36.1176-67.9-52152.600112.8N776 W783 R784 R914 Q915N776-E780 WeakPolarHBondContact O-CG 3.49Å; N776-E780 PolarHBondContact O-N 3.31Å; E780-W783 PolarHBondContact O-N 3.45Å; E780-R784 WeakPolarHBondContact O-CG 3.3Å; E780-R784 PolarHBondContact O-N 3.27Å; E780-R914 IonicContact OE1-CZ 3.47Å; E780-R914 IonicContact OE1-NH1 3.93Å; E780-R914 PolarHBondContact OE1-NH1 3.2Å; E780-R914 IonicContact OE1-NH2 2.75Å; E780-R914 PolarHBondContact OE1-NH2 2.98Å; E780-R914 IonicContact OE2-CZ 2.73Å; E780-R914 IonicContact OE2-NH1 3.99Å; E780-R914 PolarHBondContact OE2-NH1 3.06Å; E780-R914 IonicContact OE2-NH2 3.91Å; E780-Q915 PolarHBondContact OE2-NE2 3.29Å
781L79.8Confident78.8Confident63 Ų6369 Ų6933%0.3334%0.343SS..Hα-helixtrans-62.7-42.1172.8-176.265.6000111.7Q777 T778 I779 R784 F785 V932 F933Q777-L781 WeakPolarHBondContact O-CB 3.42Å; Q777-L781 PolarHBondContact O-N 2.91Å; T778-L781 PolarHBondContact O-N 3.03Å; I779-L781 PolarHBondContact O-N 3.22Å; L781-R784 PolarHBondContact O-N 3.28Å; L781-F785 WeakPolarHBondContact O-CB 3.33Å; L781-F785 PolarHBondContact O-N 2.8Å; L781-V932 HydrophobicContact CD1-CG1 3.66Å; L781-F933 HydrophobicContact CD1-CD1 4.22Å; L781-F933 HydrophobicContact CD1-CE1 3.52Å; L781-F933 HydrophobicContact CD1-CZ 3.88Å; L781-F933 HydrophobicContact CD2-CE1 4.25Å; L781-F933 HydrophobicContact CD2-CZ 4.36Å
782L83.1Confident79.8Confident92 Ų9267.7 Ų67.748%0.48233%0.333SS..Hα-helixtrans-63.2-43176.1-173.8103.7000111.2T778 I779 F785 F786T778-L782 VanDerWaalsContact O-CB 3.24Å; T778-L782 WeakPolarHBondContact O-CB 3.39Å; T778-L782 PolarHBondContact O-N 3.11Å; I779-L782 WeakPolarHBondContact O-CB 3.28Å; I779-L782 PolarHBondContact O-N 3.12Å; L782-F785 PolarHBondContact O-N 2.77Å; L782-F786 HydrophobicContact CD1-CE2 4.36Å; L782-F786 HydrophobicContact CD2-CD2 4.17Å; L782-F786 HydrophobicContact CD2-CE2 3.7Å; L782-F786 HydrophobicContact CG-CD2 4.04Å; L782-F786 HydrophobicContact CG-CE2 3.74Å; L782-F786 VanDerWaalsContact O-CD2 3.27Å; L782-F786 WeakPolarHBondContact O-CD2 3.38Å; L782-F786 PolarHBondContact O-N 2.86Å
783W86.3Confident80.7Confident45 Ų4565.3 Ų65.317%0.1732%0.323CS..Hα-helixtrans-67.9-33.4174.4-68.6110000113I779 E780 E787 F907 V911 R914I779-W783 PolarHBondContact O-N 2.84Å; E780-W783 PolarHBondContact O-N 3.45Å; W783-E787 WeakPolarHBondContact O-CB 3.27Å; W783-E787 PolarHBondContact O-N 3.45Å; W783-F907 HydrophobicContact CH2-CE2 4.26Å; W783-F907 HydrophobicContact CH2-CZ 4.46Å; W783-F907 HydrophobicContact CZ3-CE2 4.26Å; W783-F907 HydrophobicContact CZ3-CZ 4.18Å; W783-V911 HydrophobicContact CE3-CB 4.45Å; W783-V911 HydrophobicContact CE3-CG1 4.38Å; W783-V911 HydrophobicContact CE3-CG2 4.04Å; W783-V911 HydrophobicContact CZ3-CB 4.33Å; W783-V911 HydrophobicContact CZ3-CG2 3.71Å; W783-R914 VanDerWaalsContact CD1-NH1 3.31Å; W783-R914 VanDerWaalsContact CE2-CD 3.42Å
784R82.2Confident81.4Confident78 Ų7858.7 Ų58.729%0.29429%0.294SS..Hα-helixtrans-66.8-42.4171.8-74.1177-176.9-1690.4111.7E780 L781 E787 V788E780-R784 WeakPolarHBondContact O-CG 3.3Å; E780-R784 PolarHBondContact O-N 3.27Å; L781-R784 PolarHBondContact O-N 3.28Å; R784-E787 WeakPolarHBondContact O-CB 3.44Å; R784-E787 PolarHBondContact O-N 2.77Å; R784-V788 WeakPolarHBondContact O-CG2 3.4Å; R784-V788 PolarHBondContact O-N 3.09Å; R784-V788 VanDerWaalsContact O-N 3.12Å
785F85.4Confident82.4Confident90 Ų9054.8 Ų54.840%0.39527%0.273SS..Hα-helixtrans-60.3-47.4173.8177.7-95.1000111.2L781 L782 E787 V788 H789L781-F785 WeakPolarHBondContact O-CB 3.33Å; L781-F785 PolarHBondContact O-N 2.8Å; L782-F785 PolarHBondContact O-N 2.77Å; F785-E787 VanDerWaalsContact C-N 3.34Å; F785-E787 PolarHBondContact O-N 3.47Å; F785-V788 PolarHBondContact O-N 3.43Å; F785-H789 AromaticContact CD2-CD2 3.67Å; F785-H789 AromaticContact CE2-CD2 3.49Å; F785-H789 VanDerWaalsContact CE2-CD2 3.49Å; F785-H789 WeakPolarHBondContact CE2-CD2 3.49Å; F785-H789 AromaticContact CE2-NE2 3.74Å; F785-H789 AromaticContact CZ-CD2 3.95Å; F785-H789 PolarHBondContact O-CD2 2.74Å; F785-H789 PolarHBondContact O-N 2.91Å
786F85.9Confident83.3Confident50 Ų5054.8 Ų54.822%0.21927%0.27CS..Hα-helixtrans-59.9-42.5172.5-77.2-51.6000111.8L782 V788 H789 I790 I793 F907 V911L782-F786 HydrophobicContact CD1-CE2 4.36Å; L782-F786 HydrophobicContact CD2-CD2 4.17Å; L782-F786 HydrophobicContact CD2-CE2 3.7Å; L782-F786 HydrophobicContact CG-CD2 4.04Å; L782-F786 HydrophobicContact CG-CE2 3.74Å; L782-F786 VanDerWaalsContact O-CD2 3.27Å; L782-F786 WeakPolarHBondContact O-CD2 3.38Å; L782-F786 PolarHBondContact O-N 2.86Å; F786-V788 VanDerWaalsContact C-N 3.28Å; F786-V788 PolarHBondContact O-N 3.13Å; F786-H789 PolarHBondContact O-N 3.11Å; F786-I790 WeakPolarHBondContact O-CA 3.49Å; F786-I790 WeakPolarHBondContact O-CB 3.38Å; F786-I790 VanDerWaalsContact O-CG2 3.24Å; F786-I790 WeakPolarHBondContact O-CG2 3.46Å; F786-I790 PolarHBondContact O-N 2.7Å; F786-I793 HydrophobicContact CD1-CD1 4.19Å; F786-I793 HydrophobicContact CE1-CD1 4.32Å; F786-F907 HydrophobicContact CE2-CZ 4.42Å; F786-V911 HydrophobicContact CB-CG1 4.09Å; F786-V911 HydrophobicContact CB-CG2 4.32Å
787E84Confident84.1Confident22 Ų2253.6 Ų53.610%0.10326%0.263CS..Hα-helixtrans-57.8-38.6178.3-171.8179.2-17400113.5W783 R784 F785 R919 R929W783-E787 WeakPolarHBondContact O-CB 3.27Å; W783-E787 PolarHBondContact O-N 3.45Å; R784-E787 WeakPolarHBondContact O-CB 3.44Å; R784-E787 PolarHBondContact O-N 2.77Å; F785-E787 VanDerWaalsContact C-N 3.34Å; F785-E787 PolarHBondContact O-N 3.47Å; E787-R919 IonicContact OE1-CZ 3.09Å; E787-R919 VanDerWaalsContact OE1-CZ 3.28Å; E787-R919 IonicContact OE1-NH1 3.94Å; E787-R919 PolarHBondContact OE1-NH1 3.16Å; E787-R919 IonicContact OE1-NH2 2.67Å; E787-R919 PolarHBondContact OE1-NH2 3.12Å; E787-R919 IonicContact OE2-CZ 3.88Å; E787-R919 IonicContact OE2-NH1 2.62Å; E787-R919 IonicContact OE2-NH2 3.91Å; E787-R919 PolarHBondContact OE2-NH2 3.46Å; E787-R929 HydrophobicContact CG-CG 4.44Å
788V81.1Confident84.8Confident40 Ų4048 Ų4824%0.24224%0.237CC..Hα-helixtrans-75.3-35.1178.3176.50000112.4R784 F785 F786 V932R784-V788 WeakPolarHBondContact O-CG2 3.4Å; R784-V788 PolarHBondContact O-N 3.09Å; R784-V788 VanDerWaalsContact O-N 3.12Å; F785-V788 PolarHBondContact O-N 3.43Å; F786-V788 VanDerWaalsContact C-N 3.28Å; F786-V788 PolarHBondContact O-N 3.13Å; V788-V932 HydrophobicContact CG2-CG2 4.29Å
789H86.1Confident85.5Confident59 Ų5944.8 Ų44.827%0.27322%0.217SC..Hα-helixtrans-110.3-10.9-169.1-68.1-86.5000115.9F785 F786 S791 K792 I793F785-H789 AromaticContact CD2-CD2 3.67Å; F785-H789 AromaticContact CE2-CD2 3.49Å; F785-H789 VanDerWaalsContact CE2-CD2 3.49Å; F785-H789 WeakPolarHBondContact CE2-CD2 3.49Å; F785-H789 AromaticContact CE2-NE2 3.74Å; F785-H789 AromaticContact CZ-CD2 3.95Å; F785-H789 PolarHBondContact O-CD2 2.74Å; F785-H789 PolarHBondContact O-N 2.91Å; F786-H789 PolarHBondContact O-N 3.11Å; H789-S791 PolarHBondContact O-N 2.98Å; H789-K792 WeakPolarHBondContact O-CB 3.3Å; H789-K792 PolarHBondContact O-N 3.19Å; H789-K792 VanDerWaalsContact O-N 3.09Å; H789-I793 HydrophobicContact CB-CD1 4.01Å; H789-I793 HydrophobicContact CB-CG1 4.43Å; H789-I793 WeakPolarHBondContact O-CG1 3.49Å; H789-I793 PolarHBondContact O-N 3.19Å
790I85.2Confident86Confident10 Ų1044.5 Ų44.55%0.05122%0.216CC..Hα-helixtrans-61.6-35.4-169-168.857000114.1F786 I793 V794 F907 Q908F786-I790 WeakPolarHBondContact O-CA 3.49Å; F786-I790 WeakPolarHBondContact O-CB 3.38Å; F786-I790 VanDerWaalsContact O-CG2 3.24Å; F786-I790 WeakPolarHBondContact O-CG2 3.46Å; F786-I790 PolarHBondContact O-N 2.7Å; I790-I793 PolarHBondContact O-N 3.32Å; I790-V794 HydrophobicContact CD1-CG2 4.29Å; I790-V794 HydrophobicContact CG1-CG2 4.4Å; I790-V794 WeakPolarHBondContact O-CB 3.45Å; I790-V794 VanDerWaalsContact O-CG2 3.29Å; I790-V794 WeakPolarHBondContact O-CG2 3.28Å; I790-V794 PolarHBondContact O-N 2.89Å; I790-F907 HydrophobicContact CD1-CD1 4.02Å; I790-F907 HydrophobicContact CD1-CE1 4.31Å; I790-Q908 HydrophobicContact CG1-CB 4.16Å; I790-Q908 HydrophobicContact CG1-CG 4.14Å; I790-Q908 HydrophobicContact CG2-CG 4.35Å
791S82.7Confident86.5Confident29 Ų2943.9 Ų43.920%0.20321%0.213CC..Hα-helixtrans-63.2-46.7174.850.30000111.3H789 I793 V794 F795H789-S791 PolarHBondContact O-N 2.98Å; S791-I793 VanDerWaalsContact C-N 3.34Å; S791-I793 PolarHBondContact O-N 3.07Å; S791-V794 PolarHBondContact O-N 3.47Å; S791-F795 WeakPolarHBondContact O-CD2 3.5Å; S791-F795 WeakPolarHBondContact O-CG 3.35Å; S791-F795 PolarHBondContact O-N 3.29Å
792K86.5Confident87Confident82 Ų8240.9 Ų40.936%0.35720%0.197SC..Hα-helixtrans-60.7-42.3176.3-53.6-174.5-177.1-1690111.8H789 F795 V796 C1079H789-K792 WeakPolarHBondContact O-CB 3.3Å; H789-K792 PolarHBondContact O-N 3.19Å; H789-K792 VanDerWaalsContact O-N 3.09Å; K792-F795 PolarHBondContact O-N 3.22Å; K792-V796 VanDerWaalsContact O-CG2 3.31Å; K792-V796 WeakPolarHBondContact O-CG2 3.37Å; K792-V796 PolarHBondContact O-N 2.98Å; K792-C1079 PolarHBondContact NZ-SG 3.24Å
793I87.8Confident87.3Confident57 Ų5736.6 Ų36.629%0.29218%0.175SC..Hα-helixtrans-63.1-45.4177.8-66166.2000110.8F786 H789 I790 S791 V796 I797F786-I793 HydrophobicContact CD1-CD1 4.19Å; F786-I793 HydrophobicContact CE1-CD1 4.32Å; H789-I793 HydrophobicContact CB-CD1 4.01Å; H789-I793 HydrophobicContact CB-CG1 4.43Å; H789-I793 WeakPolarHBondContact O-CG1 3.49Å; H789-I793 PolarHBondContact O-N 3.19Å; I790-I793 PolarHBondContact O-N 3.32Å; S791-I793 VanDerWaalsContact C-N 3.34Å; S791-I793 PolarHBondContact O-N 3.07Å; I793-V796 PolarHBondContact O-N 3.49Å; I793-I797 HydrophobicContact CG2-CD1 3.99Å; I793-I797 WeakPolarHBondContact O-CG1 3.49Å; I793-I797 PolarHBondContact O-N 3.27Å
794V88.5Confident87.3Confident2 Ų239 Ų391%0.01219%0.191CC..Hα-helixtrans-63.4-41.3176.4170.80000111.3I790 S791 I797 I798 A904 L905 Q908I790-V794 HydrophobicContact CD1-CG2 4.29Å; I790-V794 HydrophobicContact CG1-CG2 4.4Å; I790-V794 WeakPolarHBondContact O-CB 3.45Å; I790-V794 VanDerWaalsContact O-CG2 3.29Å; I790-V794 WeakPolarHBondContact O-CG2 3.28Å; I790-V794 PolarHBondContact O-N 2.89Å; S791-V794 PolarHBondContact O-N 3.47Å; V794-I797 PolarHBondContact O-N 3.2Å; V794-I798 HydrophobicContact CG1-CD1 3.78Å; V794-I798 HydrophobicContact CG1-CG1 4.5Å; V794-I798 WeakPolarHBondContact O-CG1 3.17Å; V794-I798 PolarHBondContact O-N 3.4Å; V794-A904 HydrophobicContact CG2-CB 4.3Å; V794-L905 HydrophobicContact CG1-CD2 3.77Å; V794-L905 HydrophobicContact CG1-CG 4.27Å; V794-Q908 HydrophobicContact CG2-CB 4.28Å
795F89.5Confident87.5Confident24 Ų2438 Ų3811%0.10519%0.191CC..Hα-helixtrans-63.4-39.7175.7-63.3-23.7000112.6S791 K792 I798 A799 L817 A820 I821 F1071S791-F795 WeakPolarHBondContact O-CD2 3.5Å; S791-F795 WeakPolarHBondContact O-CG 3.35Å; S791-F795 PolarHBondContact O-N 3.29Å; K792-F795 PolarHBondContact O-N 3.22Å; F795-I798 PolarHBondContact O-N 3.46Å; F795-A799 VanDerWaalsContact O-CB 3.31Å; F795-A799 WeakPolarHBondContact O-CB 3.35Å; F795-A799 PolarHBondContact O-N 3.13Å; F795-L817 HydrophobicContact CB-CD1 3.76Å; F795-L817 HydrophobicContact CD1-CD1 3.81Å; F795-L817 HydrophobicContact CG-CD1 3.94Å; F795-A820 HydrophobicContact CE1-CB 4.03Å; F795-A820 HydrophobicContact CE2-CB 4.43Å; F795-A820 HydrophobicContact CZ-CB 3.78Å; F795-I821 HydrophobicContact CD2-CG1 4.01Å; F795-I821 HydrophobicContact CE2-CG1 4.44Å; F795-F1071 HydrophobicContact CB-CZ 4.29Å
796V89.5Confident87.6Confident33 Ų3336 Ų3620%0.218%0.184CC..Hα-helixtrans-63.6-43.9173.4169.60000111.6K792 I793 I798 A799 I800 F1071 F1072 L1075K792-V796 VanDerWaalsContact O-CG2 3.31Å; K792-V796 WeakPolarHBondContact O-CG2 3.37Å; K792-V796 PolarHBondContact O-N 2.98Å; I793-V796 PolarHBondContact O-N 3.49Å; V796-I798 VanDerWaalsContact C-N 3.33Å; V796-I798 PolarHBondContact O-N 3.36Å; V796-A799 PolarHBondContact O-N 2.81Å; V796-I800 HydrophobicContact CG1-CD1 3.72Å; V796-I800 HydrophobicContact CG1-CG1 4.45Å; V796-I800 WeakPolarHBondContact O-CG1 3.37Å; V796-I800 PolarHBondContact O-N 3.02Å; V796-F1071 HydrophobicContact CG2-CE1 3.94Å; V796-F1072 HydrophobicContact CG1-CZ 4.34Å; V796-F1072 HydrophobicContact CG2-CE1 4.3Å; V796-L1075 HydrophobicContact CG2-CD2 4.25Å
797I91Very high87.6Confident53 Ų5335.4 Ų35.427%0.27218%0.184SC..Hα-helixtrans-60.1-45177.1-69.2165.2000110.7I793 V794 F801 V900 A904I793-I797 HydrophobicContact CG2-CD1 3.99Å; I793-I797 WeakPolarHBondContact O-CG1 3.49Å; I793-I797 PolarHBondContact O-N 3.27Å; V794-I797 PolarHBondContact O-N 3.2Å; I797-F801 WeakPolarHBondContact O-CB 3.46Å; I797-F801 PolarHBondContact O-N 3.12Å; I797-V900 HydrophobicContact CG2-CG1 4.33Å; I797-A904 HydrophobicContact CD1-CB 4.02Å
798I90.5Very high87.8Confident3 Ų334.9 Ų34.92%0.01518%0.183CC..Hα-helixtrans-67.9-40.3178.4-66.5169.6000111V794 F795 V796 F801 I802 L813 L817 M835V794-I798 HydrophobicContact CG1-CD1 3.78Å; V794-I798 HydrophobicContact CG1-CG1 4.5Å; V794-I798 WeakPolarHBondContact O-CG1 3.17Å; V794-I798 PolarHBondContact O-N 3.4Å; F795-I798 PolarHBondContact O-N 3.46Å; V796-I798 VanDerWaalsContact C-N 3.33Å; V796-I798 PolarHBondContact O-N 3.36Å; I798-F801 PolarHBondContact O-N 3.42Å; I798-I802 HydrophobicContact CG2-CD1 3.72Å; I798-I802 HydrophobicContact CG2-CG1 4.35Å; I798-I802 VanDerWaalsContact O-CG1 3.26Å; I798-I802 WeakPolarHBondContact O-CG1 3.35Å; I798-I802 PolarHBondContact O-N 3.41Å; I798-L813 HydrophobicContact CG2-CD2 4.02Å; I798-L813 HydrophobicContact CG2-CG 4.22Å; I798-L817 HydrophobicContact CG2-CD2 4.31Å; I798-M835 HydrophobicContact CD1-CE 4.14Å; I798-M835 HydrophobicContact CG2-CE 3.87Å
799A90Very high88.2Confident2 Ų233.6 Ų33.62%0.01718%0.175CC..Hα-helixtrans-60.4-47.6176.700000112.1F795 V796 F801 I802 A803 L817 F1071F795-A799 VanDerWaalsContact O-CB 3.31Å; F795-A799 WeakPolarHBondContact O-CB 3.35Å; F795-A799 PolarHBondContact O-N 3.13Å; V796-A799 PolarHBondContact O-N 2.81Å; A799-F801 VanDerWaalsContact C-N 3.35Å; A799-F801 PolarHBondContact O-N 3.45Å; A799-I802 PolarHBondContact O-N 2.9Å; A799-A803 WeakPolarHBondContact O-CB 3.47Å; A799-A803 PolarHBondContact O-N 3.11Å; A799-L817 HydrophobicContact CB-CD2 3.98Å; A799-F1071 HydrophobicContact CB-CD1 3.82Å; A799-F1071 HydrophobicContact CB-CD2 3.73Å; A799-F1071 HydrophobicContact CB-CE1 3.74Å; A799-F1071 HydrophobicContact CB-CE2 3.63Å; A799-F1071 HydrophobicContact CB-CG 3.82Å; A799-F1071 HydrophobicContact CB-CZ 3.65Å
800I90.9Very high88.4Confident68 Ų6830.9 Ų30.935%0.34916%0.162SC..Hα-helixtrans-63.7-41.1177.1-66.1166.5000110.9V796 I802 A803 N804 I1068V796-I800 HydrophobicContact CG1-CD1 3.72Å; V796-I800 HydrophobicContact CG1-CG1 4.45Å; V796-I800 WeakPolarHBondContact O-CG1 3.37Å; V796-I800 PolarHBondContact O-N 3.02Å; I800-I802 PolarHBondContact O-N 3.34Å; I800-A803 PolarHBondContact O-N 2.87Å; I800-N804 PolarHBondContact O-N 3.1Å; I800-N804 VanDerWaalsContact O-N 3.16Å; I800-I1068 HydrophobicContact CG1-CD1 4.41Å
801F89.9Confident88.7Confident20 Ų2032.3 Ų32.39%0.08817%0.169CC..Hα-helixtrans-60.4-44.2176.2169.1-112.1000112.3I797 I798 A799 N805 Y810 L813 L839 V898I797-F801 WeakPolarHBondContact O-CB 3.46Å; I797-F801 PolarHBondContact O-N 3.12Å; I798-F801 PolarHBondContact O-N 3.42Å; A799-F801 VanDerWaalsContact C-N 3.35Å; A799-F801 PolarHBondContact O-N 3.45Å; F801-N805 PolarHBondContact O-N 3.38Å; F801-N805 PolarHBondContact O-ND2 3.31Å; F801-Y810 HydrophobicContact CE1-CD1 4.05Å; F801-Y810 AromaticContact CE1-CE1 3.62Å; F801-Y810 HydrophobicContact CE1-CE1 3.62Å; F801-Y810 AromaticContact CZ-CE1 3.7Å; F801-Y810 HydrophobicContact CZ-CE1 3.7Å; F801-Y810 HydrophobicContact CZ-CE2 4.48Å; F801-Y810 AromaticContact CZ-CZ 3.69Å; F801-L813 HydrophobicContact CD1-CD2 4.32Å; F801-L813 HydrophobicContact CE1-CD2 4.26Å; F801-L839 HydrophobicContact CE1-CD2 4.17Å; F801-V898 HydrophobicContact CE2-CG2 4.28Å; F801-V898 HydrophobicContact CZ-CG2 3.76Å
802I91Very high89.1Confident0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-70.3-44.7177.9-61.7160.9000111.4I798 A799 I800 N804 N805 L813 V814 L817 F1018I798-I802 HydrophobicContact CG2-CD1 3.72Å; I798-I802 HydrophobicContact CG2-CG1 4.35Å; I798-I802 VanDerWaalsContact O-CG1 3.26Å; I798-I802 WeakPolarHBondContact O-CG1 3.35Å; I798-I802 PolarHBondContact O-N 3.41Å; A799-I802 PolarHBondContact O-N 2.9Å; I800-I802 PolarHBondContact O-N 3.34Å; I802-N804 PolarHBondContact O-N 3.07Å; I802-N805 CarbonylContact O-C 3.44Å; I802-N805 VanDerWaalsContact O-C 3.26Å; I802-N805 PolarHBondContact O-N 3.07Å; I802-L813 HydrophobicContact CD1-CB 3.93Å; I802-L813 HydrophobicContact CD1-CD2 3.88Å; I802-L813 HydrophobicContact CD1-CG 3.99Å; I802-L813 HydrophobicContact CG1-CB 4.39Å; I802-L813 HydrophobicContact CG1-CD2 3.79Å; I802-L813 HydrophobicContact CG1-CG 4.42Å; I802-V814 HydrophobicContact CD1-CG2 4.14Å; I802-V814 HydrophobicContact CG2-CG2 3.56Å; I802-L817 HydrophobicContact CD1-CD2 4.14Å; I802-F1018 HydrophobicContact CG2-CD2 4.12Å; I802-F1018 HydrophobicContact CG2-CE2 3.38Å; I802-F1018 HydrophobicContact CG2-CZ 3.65Å
803A88.8Confident89.3Confident2 Ų229.4 Ų29.42%0.01716%0.158CC..Hα-helixtrans-60.5-28.8-178.900000112.6A799 I800 S1064 L1067 I1068A799-A803 WeakPolarHBondContact O-CB 3.47Å; A799-A803 PolarHBondContact O-N 3.11Å; I800-A803 PolarHBondContact O-N 2.87Å; A803-S1064 WeakPolarHBondContact O-CB 3.31Å; A803-L1067 HydrophobicContact CB-CB 4.23Å; A803-I1068 HydrophobicContact CB-CD1 4.25Å; A803-I1068 HydrophobicContact CB-CG1 3.88Å
804N87.9Confident89.4Confident96 Ų9626.9 Ų26.951%0.51315%0.145SC..THydrogen-bonded Turntrans-87-7.7175.1-70-10.3000114.3I800 I802 S1064I800-N804 PolarHBondContact O-N 3.1Å; I800-N804 VanDerWaalsContact O-N 3.16Å; I802-N804 PolarHBondContact O-N 3.07Å; N804-S1064 WeakPolarHBondContact OD1-CB 3.26Å; N804-S1064 PolarHBondContact OD1-OG 3.04Å
805N85.9Confident89.6Confident55 Ų5530 Ų3029%0.29416%0.161SC..  trans-133.678.5-180-62.9-92.4000109.3F801 I802 N807 Y810F801-N805 PolarHBondContact O-N 3.38Å; F801-N805 PolarHBondContact O-ND2 3.31Å; I802-N805 CarbonylContact O-C 3.44Å; I802-N805 VanDerWaalsContact O-C 3.26Å; I802-N805 PolarHBondContact O-N 3.07Å; N805-N807 VanDerWaalsContact C-N 3.28Å; N805-N807 VanDerWaalsContact C-OD1 3.24Å; N805-N807 PolarHBondContact O-N 3.25Å; N805-Y810 HydrophobicContact CB-CD2 4.02Å; N805-Y810 HydrophobicContact CB-CE2 3.73Å; N805-Y810 VanDerWaalsContact O-CD2 3.28Å; N805-Y810 WeakPolarHBondContact O-CD2 3.49Å
806I86.6Confident89.6Confident48 Ų4830.7 Ų30.725%0.24617%0.166CC..  trans-80.474.4-175.4-51.7177.8000109.7F1018 Y1021 V1022 W1062 L1067I806-F1018 HydrophobicContact CB-CE2 4.45Å; I806-F1018 HydrophobicContact CG1-CE2 4.4Å; I806-F1018 HydrophobicContact CG2-CE2 4.14Å; I806-F1018 HydrophobicContact CG2-CZ 4.37Å; I806-Y1021 HydrophobicContact CD1-CD2 4.28Å; I806-V1022 HydrophobicContact CG2-CG2 3.67Å; I806-W1062 HydrophobicContact CD1-CB 4.48Å; I806-L1067 HydrophobicContact CD1-CD1 4.5Å
807N86.7Confident89.7Confident39 Ų3929.2 Ų29.221%0.20916%0.157CC..  trans-126.3151.9-175.9-52.837.3000110.8N805 L809 Y810 G881N805-N807 VanDerWaalsContact C-N 3.28Å; N805-N807 VanDerWaalsContact C-OD1 3.24Å; N805-N807 PolarHBondContact O-N 3.25Å; N807-L809 PolarHBondContact O-N 2.79Å; N807-Y810 HydrophobicContact CB-CD2 4.06Å; N807-Y810 HydrophobicContact CB-CE2 4.29Å; N807-Y810 PolarHBondContact O-N 3.08Å; N807-G881 VanDerWaalsContact ND2-CA 3.3Å; N807-G881 WeakPolarHBondContact ND2-CA 3.37Å
808A88.3Confident89.6Confident11 Ų1127.2 Ų27.29%0.09115%0.148CC..G310 helixtrans-59.6-32.4-177.500000113.5Y810 I811 W879 F880A808-Y810 PolarHBondContact O-N 3.4Å; A808-I811 HydrophobicContact CB-CD1 4.21Å; A808-I811 WeakPolarHBondContact O-CB 3.27Å; A808-I811 WeakPolarHBondContact O-CG1 3.32Å; A808-I811 PolarHBondContact O-N 3.01Å; A808-I811 VanDerWaalsContact O-N 3.13Å; A808-W879 HydrophobicContact CB-CD2 4.33Å; A808-W879 HydrophobicContact CB-CE3 4.06Å; A808-W879 HydrophobicContact CB-CH2 3.79Å; A808-W879 HydrophobicContact CB-CZ2 4.06Å; A808-W879 HydrophobicContact CB-CZ3 3.78Å; A808-W879 PolarHBondContact N-O 2.68Å; A808-F880 HydrophobicContact CB-CD2 4.36Å
809L88.3Confident89.4Confident13 Ų1330.7 Ų30.77%0.06817%0.166CC..G310 helixtrans-56-22.6176-167.468.5000114.2N807 Y838 V842 F880N807-L809 PolarHBondContact O-N 2.79Å; L809-Y838 WeakPolarHBondContact O-CE1 3.42Å; L809-Y838 PolarHBondContact O-OH 3.34Å; L809-V842 HydrophobicContact CD1-CG2 4.26Å; L809-V842 HydrophobicContact CD2-CB 4.4Å; L809-V842 HydrophobicContact CD2-CG1 3.72Å; L809-V842 HydrophobicContact CD2-CG2 3.9Å; L809-V842 HydrophobicContact CG-CG2 4.02Å; L809-F880 VanDerWaalsContact CB-O 3.28Å; L809-F880 WeakPolarHBondContact CB-O 3.47Å; L809-F880 HydrophobicContact CD1-CE1 3.83Å; L809-F880 HydrophobicContact CD1-CZ 4.1Å; L809-F880 PolarHBondContact N-O 3.29Å; L809-F880 VanDerWaalsContact N-O 3.14Å
810Y91.8Very high89.2Confident2 Ų230.9 Ų30.91%0.00817%0.168CC..G310 helixtrans-97.6-2.2-178.1-58.6-60.1000114.4F801 N805 N807 A808 L813 V814F801-Y810 HydrophobicContact CE1-CD1 4.05Å; F801-Y810 AromaticContact CE1-CE1 3.62Å; F801-Y810 HydrophobicContact CE1-CE1 3.62Å; F801-Y810 AromaticContact CZ-CE1 3.7Å; F801-Y810 HydrophobicContact CZ-CE1 3.7Å; F801-Y810 HydrophobicContact CZ-CE2 4.48Å; F801-Y810 AromaticContact CZ-CZ 3.69Å; N805-Y810 HydrophobicContact CB-CD2 4.02Å; N805-Y810 HydrophobicContact CB-CE2 3.73Å; N805-Y810 VanDerWaalsContact O-CD2 3.28Å; N805-Y810 WeakPolarHBondContact O-CD2 3.49Å; N807-Y810 HydrophobicContact CB-CD2 4.06Å; N807-Y810 HydrophobicContact CB-CE2 4.29Å; N807-Y810 PolarHBondContact O-N 3.08Å; A808-Y810 PolarHBondContact O-N 3.4Å; Y810-L813 HydrophobicContact CD1-CD2 4.15Å; Y810-L813 WeakPolarHBondContact O-CA 3.04Å; Y810-L813 WeakPolarHBondContact O-CB 3.36Å; Y810-L813 PolarHBondContact O-N 3.11Å; Y810-V814 PolarHBondContact O-N 3.26Å; Y810-V814 VanDerWaalsContact O-N 3.09Å
811I90.3Very high89Confident39 Ų3928.8 Ų28.820%0.216%0.157CC..Hα-helixtrans-51.9-48.2174.6-73.3168000112.6A808 L813 V814 I815 F1018 F1019A808-I811 HydrophobicContact CB-CD1 4.21Å; A808-I811 WeakPolarHBondContact O-CB 3.27Å; A808-I811 WeakPolarHBondContact O-CG1 3.32Å; A808-I811 PolarHBondContact O-N 3.01Å; A808-I811 VanDerWaalsContact O-N 3.13Å; I811-L813 PolarHBondContact O-N 2.85Å; I811-V814 PolarHBondContact O-N 3.4Å; I811-I815 HydrophobicContact CG2-CD1 3.98Å; I811-I815 PolarHBondContact O-N 2.98Å; I811-F1018 HydrophobicContact CG1-CD1 4.37Å; I811-F1018 HydrophobicContact CG1-CE1 4.02Å; I811-F1019 HydrophobicContact CB-CE1 4.39Å; I811-F1019 HydrophobicContact CD1-CD1 4.23Å; I811-F1019 HydrophobicContact CD1-CE1 4.02Å; I811-F1019 HydrophobicContact CG1-CD1 4.37Å; I811-F1019 HydrophobicContact CG1-CE1 4.02Å; I811-F1019 HydrophobicContact CG2-CE1 3.52Å; I811-F1019 HydrophobicContact CG2-CZ 3.96Å
812P90.7Very high88.7Confident51 Ų5131 Ų3133%0.33117%0.174SC..Hα-helixtrans-61.5-31.5176.5-23.335.3000112.7L816P812-L816 WeakPolarHBondContact O-CB 3.33Å; P812-L816 WeakPolarHBondContact O-CG 3.47Å; P812-L816 PolarHBondContact O-N 3.11Å
813L90.8Very high88.1Confident0 Ų034.6 Ų34.60%019%0.193CC..Hα-helixtrans-69-39179.4-144.372.8000111.2I798 F801 I802 Y810 I811 L817 M835 Y838 L839I798-L813 HydrophobicContact CG2-CD2 4.02Å; I798-L813 HydrophobicContact CG2-CG 4.22Å; F801-L813 HydrophobicContact CD1-CD2 4.32Å; F801-L813 HydrophobicContact CE1-CD2 4.26Å; I802-L813 HydrophobicContact CD1-CB 3.93Å; I802-L813 HydrophobicContact CD1-CD2 3.88Å; I802-L813 HydrophobicContact CD1-CG 3.99Å; I802-L813 HydrophobicContact CG1-CB 4.39Å; I802-L813 HydrophobicContact CG1-CD2 3.79Å; I802-L813 HydrophobicContact CG1-CG 4.42Å; Y810-L813 HydrophobicContact CD1-CD2 4.15Å; Y810-L813 WeakPolarHBondContact O-CA 3.04Å; Y810-L813 WeakPolarHBondContact O-CB 3.36Å; Y810-L813 PolarHBondContact O-N 3.11Å; I811-L813 PolarHBondContact O-N 2.85Å; L813-L817 WeakPolarHBondContact O-CB 3.34Å; L813-L817 PolarHBondContact O-N 2.94Å; L813-M835 HydrophobicContact CD1-CE 3.64Å; L813-M835 HydrophobicContact CD1-SD 3.41Å; L813-M835 WeakPolarHBondContact CD1-SD 3.5Å; L813-M835 HydrophobicContact CG-CE 3.64Å; L813-M835 HydrophobicContact CG-SD 4.02Å; L813-Y838 HydrophobicContact CD1-CD1 4.12Å; L813-L839 HydrophobicContact CD2-CD2 4.24Å
814V91.9Very high87.1Confident3 Ų339.2 Ų39.22%0.01822%0.222CC..Hα-helixtrans-65.4-44.4174.6177.90000111.9I802 Y810 I811 L817 S818 Y1014 P1015 F1018I802-V814 HydrophobicContact CD1-CG2 4.14Å; I802-V814 HydrophobicContact CG2-CG2 3.56Å; Y810-V814 PolarHBondContact O-N 3.26Å; Y810-V814 VanDerWaalsContact O-N 3.09Å; I811-V814 PolarHBondContact O-N 3.4Å; V814-L817 PolarHBondContact O-N 3.31Å; V814-S818 PolarHBondContact O-N 3.13Å; V814-S818 PolarHBondContact O-OG 3.41Å; V814-Y1014 HydrophobicContact CG1-CD1 4.21Å; V814-Y1014 HydrophobicContact CG1-CE1 3.93Å; V814-P1015 HydrophobicContact CG1-CB 4.39Å; V814-P1015 HydrophobicContact CG1-CG 4.43Å; V814-F1018 HydrophobicContact CG1-CB 4.42Å; V814-F1018 HydrophobicContact CG2-CD1 3.78Å; V814-F1018 HydrophobicContact CG2-CD2 4.14Å; V814-F1018 HydrophobicContact CG2-CE1 3.91Å; V814-F1018 HydrophobicContact CG2-CE2 4.28Å; V814-F1018 HydrophobicContact CG2-CG 3.9Å; V814-F1018 HydrophobicContact CG2-CZ 4.16Å
815I91.3Very high86Confident68 Ų6838.7 Ų38.735%0.34923%0.226SC..Hα-helixtrans-64.5-47.6178.6-65.2162.2000109.9I811 L817 S818 L819 F1019I811-I815 HydrophobicContact CG2-CD1 3.98Å; I811-I815 PolarHBondContact O-N 2.98Å; I815-L817 VanDerWaalsContact C-N 3.3Å; I815-L817 PolarHBondContact O-N 3.26Å; I815-S818 PolarHBondContact O-N 3.33Å; I815-S818 PolarHBondContact O-OG 3.48Å; I815-L819 HydrophobicContact CG2-CD1 3.86Å; I815-L819 HydrophobicContact CG2-CG 4.46Å; I815-L819 WeakPolarHBondContact O-CB 3.26Å; I815-L819 VanDerWaalsContact O-CG 3.24Å; I815-L819 WeakPolarHBondContact O-CG 3.44Å; I815-L819 PolarHBondContact O-N 3.35Å; I815-F1019 HydrophobicContact CD1-CZ 4.3Å
816L90.5Very high85.1Confident39 Ų3940.2 Ų40.220%0.20425%0.247CC..Hα-helixtrans-63.2-35177-70.9171000112.6P812 A820 F831 M835P812-L816 WeakPolarHBondContact O-CB 3.33Å; P812-L816 WeakPolarHBondContact O-CG 3.47Å; P812-L816 PolarHBondContact O-N 3.11Å; L816-A820 WeakPolarHBondContact O-CB 3.4Å; L816-A820 PolarHBondContact O-N 3.46Å; L816-F831 HydrophobicContact CD2-CD1 3.86Å; L816-F831 HydrophobicContact CD2-CE1 4.12Å; L816-M835 HydrophobicContact CB-CE 4.33Å; L816-M835 HydrophobicContact CB-SD 3.45Å; L816-M835 WeakPolarHBondContact CB-SD 3.32Å; L816-M835 HydrophobicContact CD1-SD 3.67Å; L816-M835 HydrophobicContact CG-SD 4.21Å
817L90.4Very high84.5Confident1 Ų139.1 Ų39.11%0.00525%0.245CC..Hα-helixtrans-70-47177.6-177.965.2000112.8F795 I798 A799 I802 L813 V814 I815 A820 I821 M835 F1071F795-L817 HydrophobicContact CB-CD1 3.76Å; F795-L817 HydrophobicContact CD1-CD1 3.81Å; F795-L817 HydrophobicContact CG-CD1 3.94Å; I798-L817 HydrophobicContact CG2-CD2 4.31Å; A799-L817 HydrophobicContact CB-CD2 3.98Å; I802-L817 HydrophobicContact CD1-CD2 4.14Å; L813-L817 WeakPolarHBondContact O-CB 3.34Å; L813-L817 PolarHBondContact O-N 2.94Å; V814-L817 PolarHBondContact O-N 3.31Å; I815-L817 VanDerWaalsContact C-N 3.3Å; I815-L817 PolarHBondContact O-N 3.26Å; L817-A820 PolarHBondContact O-N 2.91Å; L817-I821 HydrophobicContact CD1-CD1 4.43Å; L817-I821 HydrophobicContact CG-CD1 4.46Å; L817-I821 WeakPolarHBondContact O-CG1 3.45Å; L817-I821 PolarHBondContact O-N 3.18Å; L817-I821 VanDerWaalsContact O-N 3.15Å; L817-M835 HydrophobicContact CB-CE 4.39Å; L817-F1071 HydrophobicContact CD1-CE2 4.41Å; L817-F1071 HydrophobicContact CD2-CD2 4.44Å; L817-F1071 HydrophobicContact CD2-CE2 3.84Å; L817-F1071 HydrophobicContact CG-CE2 4.11Å
818S89.3Confident83.9Confident12 Ų1238.4 Ų38.48%0.08424%0.241CC..Hα-helixtrans-64-41.1177.651.70000111.8V814 I815 I821 C822V814-S818 PolarHBondContact O-N 3.13Å; V814-S818 PolarHBondContact O-OG 3.41Å; I815-S818 PolarHBondContact O-N 3.33Å; I815-S818 PolarHBondContact O-OG 3.48Å; S818-I821 PolarHBondContact O-N 2.89Å; S818-C822 PolarHBondContact O-N 2.92Å; S818-C822 PolarHBondContact O-SG 3.07Å
819L87.1Confident83.3Confident76 Ų7640.1 Ų40.140%0.39826%0.26SS..Hα-helixtrans-62.8-43.4171.6-70.3173.8000112.3I815 I821 C822 L823I815-L819 HydrophobicContact CG2-CD1 3.86Å; I815-L819 HydrophobicContact CG2-CG 4.46Å; I815-L819 WeakPolarHBondContact O-CB 3.26Å; I815-L819 VanDerWaalsContact O-CG 3.24Å; I815-L819 WeakPolarHBondContact O-CG 3.44Å; I815-L819 PolarHBondContact O-N 3.35Å; L819-I821 VanDerWaalsContact C-N 3.25Å; L819-I821 PolarHBondContact O-N 2.95Å; L819-C822 PolarHBondContact O-N 3.4Å; L819-L823 HydrophobicContact CB-CD1 4.2Å; L819-L823 VanDerWaalsContact O-CB 3.26Å; L819-L823 WeakPolarHBondContact O-CB 3.25Å; L819-L823 VanDerWaalsContact O-CG 3.26Å; L819-L823 WeakPolarHBondContact O-CG 3.19Å; L819-L823 PolarHBondContact O-N 3.43Å
820A86.1Confident83.1Confident6 Ų644.3 Ų44.35%0.0528%0.281CS..Hα-helixtrans-64.5-25.4179.400000113.9F795 L816 L817 F831F795-A820 HydrophobicContact CE1-CB 4.03Å; F795-A820 HydrophobicContact CE2-CB 4.43Å; F795-A820 HydrophobicContact CZ-CB 3.78Å; L816-A820 WeakPolarHBondContact O-CB 3.4Å; L816-A820 PolarHBondContact O-N 3.46Å; L817-A820 PolarHBondContact O-N 2.91Å; A820-F831 HydrophobicContact CB-CD2 4.22Å
821I86.4Confident82.9Confident23 Ų2346 Ų4612%0.11829%0.289CS..Hα-helixtrans-82.6-32.2175.5-69.3170.2000111.9F795 L817 S818 L819 F1071F795-I821 HydrophobicContact CD2-CG1 4.01Å; F795-I821 HydrophobicContact CE2-CG1 4.44Å; L817-I821 HydrophobicContact CD1-CD1 4.43Å; L817-I821 HydrophobicContact CG-CD1 4.46Å; L817-I821 WeakPolarHBondContact O-CG1 3.45Å; L817-I821 PolarHBondContact O-N 3.18Å; L817-I821 VanDerWaalsContact O-N 3.15Å; S818-I821 PolarHBondContact O-N 2.89Å; L819-I821 VanDerWaalsContact C-N 3.25Å; L819-I821 PolarHBondContact O-N 2.95Å; I821-F1071 HydrophobicContact CD1-CD2 4.29Å; I821-F1071 HydrophobicContact CD1-CE2 3.32Å; I821-F1071 HydrophobicContact CD1-CZ 3.65Å
822C83.4Confident82.6Confident66 Ų6644.6 Ų44.645%0.44628%0.282SS..Hα-helixtrans-85.3-24.8-178.2-62.60000113.9S818 L819S818-C822 PolarHBondContact O-N 2.92Å; S818-C822 PolarHBondContact O-SG 3.07Å; L819-C822 PolarHBondContact O-N 3.4Å
823L78.2Confident82.4Confident77 Ų7745.7 Ų45.740%0.40329%0.285SS..SBendtrans-91.2158.7-174.9-70.7173.8000113.5L819 F831L819-L823 HydrophobicContact CB-CD1 4.2Å; L819-L823 VanDerWaalsContact O-CB 3.26Å; L819-L823 WeakPolarHBondContact O-CB 3.25Å; L819-L823 VanDerWaalsContact O-CG 3.26Å; L819-L823 WeakPolarHBondContact O-CG 3.19Å; L819-L823 PolarHBondContact O-N 3.43Å; L823-F831 HydrophobicContact CD1-CE2 3.74Å; L823-F831 HydrophobicContact CD1-CZ 3.82Å
824P67.7Low82.3Confident98 Ų9851 Ų5164%0.63631%0.308SS*.  trans-71.9148-178.527.9-35.1000113.6A826 A827P824-A826 PolarHBondContact O-N 3.24Å; P824-A827 PolarHBondContact O-N 2.96Å
825S65.6Low82.2Confident85 Ų8551.3 Ų51.359%0.59431%0.309SS*.THydrogen-bonded Turntrans-57.5-0.3-167.764.20000118.5D828S825-D828 VanDerWaalsContact CA-OD1 3.3Å; S825-D828 WeakPolarHBondContact CA-OD1 3.33Å
826A65.3Low82.1Confident88 Ų8848.3 Ų48.373%0.72730%0.295SS*.THydrogen-bonded Turntrans-79.7-31.3172.100000111.5P824P824-A826 PolarHBondContact O-N 3.24Å
827A74.4Confident82Confident25 Ų2548.8 Ų48.821%0.20730%0.304CS..THydrogen-bonded Turntrans-76.7-25.9-17700000113P824 G829 I830 F831P824-A827 PolarHBondContact O-N 2.96Å; A827-G829 PolarHBondContact O-N 3.35Å; A827-I830 PolarHBondContact O-N 3.32Å; A827-F831 HydrophobicContact CB-CD2 3.82Å; A827-F831 HydrophobicContact CB-CE2 3.48Å; A827-F831 VanDerWaalsContact CB-CE2 3.48Å; A827-F831 HydrophobicContact CB-CZ 4.41Å; A827-F831 WeakPolarHBondContact O-CD2 3.24Å; A827-F831 PolarHBondContact O-N 2.84Å
828D74.7Confident82.1Confident24 Ų2451.9 Ų51.913%0.12832%0.316CS..Hα-helixtrans-47.3-40.4179.9-56.517.2000113.3S825 S832S825-D828 VanDerWaalsContact CA-OD1 3.3Å; S825-D828 WeakPolarHBondContact CA-OD1 3.33Å; D828-S832 WeakPolarHBondContact O-CB 3.48Å; D828-S832 PolarHBondContact O-N 3.14Å; D828-S832 PolarHBondContact O-OG 3.21Å
829G76Confident82.2Confident47 Ų4751.3 Ų51.349%0.48531%0.312SS..Hα-helixtrans-63.7-42-179.200000112.3A827 S832 L833A827-G829 PolarHBondContact O-N 3.35Å; G829-S832 PolarHBondContact O-OG 3.47Å; G829-L833 PolarHBondContact O-N 2.84Å
830I83.6Confident82.2Confident100 Ų10048.2 Ų48.251%0.51330%0.296SS..Hα-helixtrans-73.1-49.5-179.3-60.3173.8000109.7A827 S832 L833 F834A827-I830 PolarHBondContact O-N 3.32Å; I830-S832 VanDerWaalsContact C-N 3.3Å; I830-S832 PolarHBondContact O-N 3.4Å; I830-L833 WeakPolarHBondContact O-CB 3.44Å; I830-L833 PolarHBondContact O-N 3.49Å; I830-F834 HydrophobicContact CG2-CD2 3.93Å; I830-F834 HydrophobicContact CG2-CE2 3.41Å; I830-F834 VanDerWaalsContact CG2-CE2 3.41Å; I830-F834 HydrophobicContact CG2-CZ 4.08Å; I830-F834 PolarHBondContact O-N 3.17Å; I830-F834 VanDerWaalsContact O-N 3.16Å
831F86.9Confident82.4Confident39 Ų3953.6 Ų53.617%0.17132%0.323CS..Hα-helixtrans-58.6-42.4176.2-65.5-51.9000111.3L816 A820 L823 A827 L833 F834 M835L816-F831 HydrophobicContact CD2-CD1 3.86Å; L816-F831 HydrophobicContact CD2-CE1 4.12Å; A820-F831 HydrophobicContact CB-CD2 4.22Å; L823-F831 HydrophobicContact CD1-CE2 3.74Å; L823-F831 HydrophobicContact CD1-CZ 3.82Å; A827-F831 HydrophobicContact CB-CD2 3.82Å; A827-F831 HydrophobicContact CB-CE2 3.48Å; A827-F831 VanDerWaalsContact CB-CE2 3.48Å; A827-F831 HydrophobicContact CB-CZ 4.41Å; A827-F831 WeakPolarHBondContact O-CD2 3.24Å; A827-F831 PolarHBondContact O-N 2.84Å; F831-L833 PolarHBondContact O-N 2.82Å; F831-L833 VanDerWaalsContact O-N 3.16Å; F831-F834 PolarHBondContact O-N 3.08Å; F831-M835 WeakPolarHBondContact O-CG 3.46Å; F831-M835 PolarHBondContact O-N 2.93Å
832S85.3Confident82.5Confident8 Ų852.6 Ų52.66%0.05632%0.318CS..Hα-helixtrans-61.2-25.7176.379.80000114.3K634 D828 G829 I830 C836K634-S832 PolarHBondContact NZ-OG 3.19Å; D828-S832 WeakPolarHBondContact O-CB 3.48Å; D828-S832 PolarHBondContact O-N 3.14Å; D828-S832 PolarHBondContact O-OG 3.21Å; G829-S832 PolarHBondContact O-OG 3.47Å; I830-S832 VanDerWaalsContact C-N 3.3Å; I830-S832 PolarHBondContact O-N 3.4Å; S832-C836 WeakPolarHBondContact O-CB 3.35Å; S832-C836 PolarHBondContact O-N 2.96Å
833L86.2Confident82.6Confident75 Ų7549.5 Ų49.539%0.39330%0.297SS..Hα-helixtrans-76.1-46.9175.4-175.872.1000110.4G829 I830 F831 C836 A837G829-L833 PolarHBondContact O-N 2.84Å; I830-L833 WeakPolarHBondContact O-CB 3.44Å; I830-L833 PolarHBondContact O-N 3.49Å; F831-L833 PolarHBondContact O-N 2.82Å; F831-L833 VanDerWaalsContact O-N 3.16Å; L833-C836 WeakPolarHBondContact O-CB 3.25Å; L833-C836 PolarHBondContact O-N 3.03Å; L833-A837 PolarHBondContact O-N 3.45Å
834F89.1Confident83.1Confident112 Ų11248.3 Ų48.349%0.49129%0.291SS..Hα-helixtrans-62.7-42.8177.2-65.9-44.2000112.2I830 F831 C836 A837 Y838I830-F834 HydrophobicContact CG2-CD2 3.93Å; I830-F834 HydrophobicContact CG2-CE2 3.41Å; I830-F834 VanDerWaalsContact CG2-CE2 3.41Å; I830-F834 HydrophobicContact CG2-CZ 4.08Å; I830-F834 PolarHBondContact O-N 3.17Å; I830-F834 VanDerWaalsContact O-N 3.16Å; F831-F834 PolarHBondContact O-N 3.08Å; F834-C836 VanDerWaalsContact C-N 3.3Å; F834-C836 PolarHBondContact O-N 3.39Å; F834-A837 PolarHBondContact O-N 2.96Å; F834-Y838 VanDerWaalsContact O-CB 3.29Å; F834-Y838 WeakPolarHBondContact O-CB 3.23Å; F834-Y838 PolarHBondContact O-N 3.41Å
835M89.8Confident84Confident8 Ų845.9 Ų45.94%0.03928%0.276CS..Hα-helixtrans-58.8-42.5174.2-60.4-74.4-91.600111.2I798 L813 L816 L817 F831 L839 L905I798-M835 HydrophobicContact CD1-CE 4.14Å; I798-M835 HydrophobicContact CG2-CE 3.87Å; L813-M835 HydrophobicContact CD1-CE 3.64Å; L813-M835 HydrophobicContact CD1-SD 3.41Å; L813-M835 WeakPolarHBondContact CD1-SD 3.5Å; L813-M835 HydrophobicContact CG-CE 3.64Å; L813-M835 HydrophobicContact CG-SD 4.02Å; L816-M835 HydrophobicContact CB-CE 4.33Å; L816-M835 HydrophobicContact CB-SD 3.45Å; L816-M835 WeakPolarHBondContact CB-SD 3.32Å; L816-M835 HydrophobicContact CD1-SD 3.67Å; L816-M835 HydrophobicContact CG-SD 4.21Å; L817-M835 HydrophobicContact CB-CE 4.39Å; F831-M835 WeakPolarHBondContact O-CG 3.46Å; F831-M835 PolarHBondContact O-N 2.93Å; M835-L839 WeakPolarHBondContact O-CB 3.49Å; M835-L839 WeakPolarHBondContact O-CD1 3.46Å; M835-L839 WeakPolarHBondContact O-CG 3.39Å; M835-L839 PolarHBondContact O-N 3.38Å; M835-L905 HydrophobicContact CB-CD1 4.36Å
836C89.4Confident85Confident6 Ų642.7 Ų42.74%0.04125%0.252CS..Hα-helixtrans-66.4-47.2178.7-161.50000112.1S832 L833 F834 Y838 L839 F840 L905S832-C836 WeakPolarHBondContact O-CB 3.35Å; S832-C836 PolarHBondContact O-N 2.96Å; L833-C836 WeakPolarHBondContact O-CB 3.25Å; L833-C836 PolarHBondContact O-N 3.03Å; F834-C836 VanDerWaalsContact C-N 3.3Å; F834-C836 PolarHBondContact O-N 3.39Å; C836-Y838 PolarHBondContact O-N 2.8Å; C836-L839 PolarHBondContact O-N 3.39Å; C836-F840 WeakPolarHBondContact O-CD2 3.42Å; C836-F840 PolarHBondContact O-N 3.17Å; C836-F840 WeakPolarHBondContact SG-CE2 3.39Å; C836-L905 HydrophobicContact CB-CB 4.49Å; C836-L905 HydrophobicContact CB-CD1 3.93Å
837A88.4Confident86Confident49 Ų4938.8 Ų38.841%0.40522%0.218SC..Hα-helixtrans-62.8-41.1177.900000112.2L833 F834 F840 L841L833-A837 PolarHBondContact O-N 3.45Å; F834-A837 PolarHBondContact O-N 2.96Å; A837-F840 PolarHBondContact O-N 3.34Å; A837-L841 PolarHBondContact O-N 3.28Å; A837-L841 VanDerWaalsContact O-N 3.11Å
838Y91.6Very high86.5Confident65 Ų6541.8 Ų41.826%0.25523%0.23SC..Hα-helixtrans-63.8-45.2175.9-169.8-105.9000111.7L809 L813 F834 C836 F840 L841 V842L809-Y838 WeakPolarHBondContact O-CE1 3.42Å; L809-Y838 PolarHBondContact O-OH 3.34Å; L813-Y838 HydrophobicContact CD1-CD1 4.12Å; F834-Y838 VanDerWaalsContact O-CB 3.29Å; F834-Y838 WeakPolarHBondContact O-CB 3.23Å; F834-Y838 PolarHBondContact O-N 3.41Å; C836-Y838 PolarHBondContact O-N 2.8Å; Y838-F840 VanDerWaalsContact C-N 3.31Å; Y838-F840 PolarHBondContact O-N 3.48Å; Y838-L841 PolarHBondContact O-N 2.92Å; Y838-L841 VanDerWaalsContact O-N 3.17Å; Y838-V842 HydrophobicContact CD1-CG2 4.11Å; Y838-V842 HydrophobicContact CE1-CG2 3.86Å; Y838-V842 WeakPolarHBondContact O-CG2 3.49Å; Y838-V842 PolarHBondContact O-N 3.12Å
839L90.6Very high87.1Confident0 Ų041.7 Ų41.70%023%0.228CC..Hα-helixtrans-62.2-34.3176.3-72.6168.8000113F801 L813 M835 C836 A843 V898 I902 L905F801-L839 HydrophobicContact CE1-CD2 4.17Å; L813-L839 HydrophobicContact CD2-CD2 4.24Å; M835-L839 WeakPolarHBondContact O-CB 3.49Å; M835-L839 WeakPolarHBondContact O-CD1 3.46Å; M835-L839 WeakPolarHBondContact O-CG 3.39Å; M835-L839 PolarHBondContact O-N 3.38Å; C836-L839 PolarHBondContact O-N 3.39Å; L839-A843 WeakPolarHBondContact O-CB 2.87Å; L839-A843 PolarHBondContact O-N 3.17Å; L839-V898 HydrophobicContact CB-CG1 4.09Å; L839-V898 HydrophobicContact CD2-CG1 4.13Å; L839-V898 WeakPolarHBondContact O-CG1 3.48Å; L839-I902 HydrophobicContact CB-CD1 4.37Å; L839-I902 HydrophobicContact CB-CG1 4.08Å; L839-L905 HydrophobicContact CD1-CD1 3.92Å
840F88.5Confident87.5Confident11 Ų1141 Ų415%0.04821%0.212CC..Hα-helixtrans-67-42172.2-74.2-56.8000112.9A627 L630 I631 C836 A837 Y838 A843 L844 I902A627-F840 HydrophobicContact CB-CD1 3.84Å; A627-F840 HydrophobicContact CB-CE1 3.84Å; L630-F840 HydrophobicContact CB-CZ 4.05Å; I631-F840 HydrophobicContact CD1-CD2 3.79Å; I631-F840 HydrophobicContact CD1-CE2 4Å; I631-F840 HydrophobicContact CD1-CG 4.24Å; I631-F840 HydrophobicContact CG1-CD2 3.66Å; I631-F840 HydrophobicContact CG1-CE2 3.35Å; I631-F840 HydrophobicContact CG1-CG 4.48Å; I631-F840 HydrophobicContact CG1-CZ 3.95Å; C836-F840 WeakPolarHBondContact O-CD2 3.42Å; C836-F840 PolarHBondContact O-N 3.17Å; C836-F840 WeakPolarHBondContact SG-CE2 3.39Å; A837-F840 PolarHBondContact O-N 3.34Å; Y838-F840 VanDerWaalsContact C-N 3.31Å; Y838-F840 PolarHBondContact O-N 3.48Å; F840-A843 PolarHBondContact O-N 3.48Å; F840-L844 PolarHBondContact O-N 3.07Å; F840-I902 HydrophobicContact CD1-CD1 3.67Å; F840-I902 HydrophobicContact CD1-CG1 4.35Å; F840-I902 HydrophobicContact CE1-CD1 3.72Å; F840-I902 HydrophobicContact CE1-CG1 4.13Å; F840-I902 HydrophobicContact CE1-CG2 3.6Å; F840-I902 HydrophobicContact CG-CD1 4.41Å; F840-I902 HydrophobicContact CZ-CD1 4.47Å; F840-I902 HydrophobicContact CZ-CG1 4.41Å; F840-I902 HydrophobicContact CZ-CG2 3.54Å
841L88.9Confident87.3Confident119 Ų11937 Ų3762%0.62319%0.192SC*.Hα-helixtrans-63.1-43175-71.2170.4000111.2A837 Y838 L844 S845A837-L841 PolarHBondContact O-N 3.28Å; A837-L841 VanDerWaalsContact O-N 3.11Å; Y838-L841 PolarHBondContact O-N 2.92Å; Y838-L841 VanDerWaalsContact O-N 3.17Å; L841-L844 PolarHBondContact O-N 3.43Å; L841-S845 WeakPolarHBondContact O-CB 3.16Å; L841-S845 PolarHBondContact O-N 2.78Å; L841-S845 PolarHBondContact O-OG 2.99Å
842V88.7Confident86.7Confident3 Ų341.8 Ų41.82%0.01822%0.219CC..Hα-helixtrans-57.9-48.9173.1167.60000110.9L809 Y838 L844 S845 K846L809-V842 HydrophobicContact CD1-CG2 4.26Å; L809-V842 HydrophobicContact CD2-CB 4.4Å; L809-V842 HydrophobicContact CD2-CG1 3.72Å; L809-V842 HydrophobicContact CD2-CG2 3.9Å; L809-V842 HydrophobicContact CG-CG2 4.02Å; Y838-V842 HydrophobicContact CD1-CG2 4.11Å; Y838-V842 HydrophobicContact CE1-CG2 3.86Å; Y838-V842 WeakPolarHBondContact O-CG2 3.49Å; Y838-V842 PolarHBondContact O-N 3.12Å; V842-L844 PolarHBondContact O-N 3.23Å; V842-S845 PolarHBondContact O-N 3.42Å; V842-S845 PolarHBondContact O-OG 3.47Å; V842-K846 HydrophobicContact CG1-CD 4.44Å; V842-K846 WeakPolarHBondContact O-CB 3.41Å; V842-K846 PolarHBondContact O-N 3.39Å
843A86.8Confident86.2Confident0 Ų045.3 Ų45.30%024%0.236CC..Hα-helixtrans-59.9-45.7178.900000113F623 L839 F840 K846 M847 L895 V898F623-A843 HydrophobicContact CE1-CB 4.08Å; F623-A843 HydrophobicContact CZ-CB 4.09Å; L839-A843 WeakPolarHBondContact O-CB 2.87Å; L839-A843 PolarHBondContact O-N 3.17Å; F840-A843 PolarHBondContact O-N 3.48Å; A843-K846 PolarHBondContact O-N 3.04Å; A843-M847 PolarHBondContact O-N 2.82Å; A843-L895 HydrophobicContact CB-CD2 4.06Å; A843-V898 HydrophobicContact CB-CG1 4.04Å
844L87.2Confident85.6Confident52 Ų5243.5 Ų43.527%0.27223%0.228SC..Hα-helixtrans-66.7-42.5178.4-72.8170.8000112.1F623 F840 L841 V842 K846 M847 I848F623-L844 HydrophobicContact CD1-CD2 4.01Å; F623-L844 HydrophobicContact CE1-CD2 4.31Å; F840-L844 PolarHBondContact O-N 3.07Å; L841-L844 PolarHBondContact O-N 3.43Å; V842-L844 PolarHBondContact O-N 3.23Å; L844-K846 VanDerWaalsContact C-N 3.3Å; L844-K846 PolarHBondContact O-N 3.34Å; L844-M847 PolarHBondContact O-N 3.49Å; L844-I848 WeakPolarHBondContact O-CB 3.32Å; L844-I848 VanDerWaalsContact O-CG1 3.28Å; L844-I848 WeakPolarHBondContact O-CG1 3.36Å; L844-I848 PolarHBondContact O-N 2.84Å
845S87.1Confident84.7Confident48 Ų4842.1 Ų42.134%0.33623%0.231SC..Hα-helixtrans-60.5-40.717667.80000112L841 V842 I848 Y849L841-S845 WeakPolarHBondContact O-CB 3.16Å; L841-S845 PolarHBondContact O-N 2.78Å; L841-S845 PolarHBondContact O-OG 2.99Å; V842-S845 PolarHBondContact O-N 3.42Å; V842-S845 PolarHBondContact O-OG 3.47Å; S845-I848 PolarHBondContact O-N 3.46Å; S845-Y849 WeakPolarHBondContact O-CB 3.47Å; S845-Y849 PolarHBondContact O-N 3.2Å; S845-Y849 VanDerWaalsContact O-N 3.1Å
846K87.4Confident83.7Confident18 Ų1845.5 Ų45.58%0.07825%0.247CC..Hα-helixtrans-63.5-43.1174.2-79.3-169.6167-164.40112.5V842 A843 L844 Q850 G881 L882 M894 L895V842-K846 HydrophobicContact CG1-CD 4.44Å; V842-K846 WeakPolarHBondContact O-CB 3.41Å; V842-K846 PolarHBondContact O-N 3.39Å; A843-K846 PolarHBondContact O-N 3.04Å; L844-K846 VanDerWaalsContact C-N 3.3Å; L844-K846 PolarHBondContact O-N 3.34Å; K846-Q850 WeakPolarHBondContact O-CG 3.35Å; K846-G881 VanDerWaalsContact CE-O 3.31Å; K846-G881 WeakPolarHBondContact CE-O 3.44Å; K846-L882 HydrophobicContact CG-CD2 4.32Å; K846-M894 HydrophobicContact CB-CE 3.75Å; K846-M894 HydrophobicContact CB-SD 3.9Å; K846-M894 HydrophobicContact CD-CE 3.86Å; K846-M894 HydrophobicContact CD-CG 4.49Å; K846-M894 HydrophobicContact CD-SD 4.32Å; K846-M894 HydrophobicContact CG-CE 3.76Å; K846-M894 HydrophobicContact CG-SD 4.42Å; K846-L895 HydrophobicContact CB-CD2 4.18Å
847M84.8Confident82.7Confident5 Ų548.7 Ų48.73%0.02526%0.263CS..Hα-helixtrans-67.9-38.9176.6-70.9-167.581.500113.5I620 F623 A843 L844 Y849 Q850 L895I620-M847 HydrophobicContact CG1-CE 4.41Å; F623-M847 HydrophobicContact CB-CE 4.27Å; F623-M847 HydrophobicContact CB-SD 3.9Å; F623-M847 HydrophobicContact CD1-SD 3.44Å; F623-M847 WeakPolarHBondContact CD1-SD 3.41Å; F623-M847 HydrophobicContact CD2-SD 3.93Å; F623-M847 HydrophobicContact CE1-SD 3.86Å; F623-M847 HydrophobicContact CE2-SD 4.3Å; F623-M847 HydrophobicContact CG-CE 4.37Å; F623-M847 HydrophobicContact CG-SD 3.47Å; F623-M847 WeakPolarHBondContact CG-SD 3.38Å; F623-M847 HydrophobicContact CZ-SD 4.27Å; A843-M847 PolarHBondContact O-N 2.82Å; L844-M847 PolarHBondContact O-N 3.49Å; M847-Y849 VanDerWaalsContact C-N 3.31Å; M847-Y849 PolarHBondContact O-N 3.32Å; M847-Q850 PolarHBondContact O-N 3.46Å; M847-L895 HydrophobicContact CG-CD1 3.72Å; M847-L895 HydrophobicContact SD-CD1 3.89Å
848I86.7Confident81.5Confident88 Ų8847.6 Ų47.645%0.45125%0.252SS..Hα-helixtrans-66.8-35.7179.5-68.9165.1000110.9L844 S845 Q850 L851L844-I848 WeakPolarHBondContact O-CB 3.32Å; L844-I848 VanDerWaalsContact O-CG1 3.28Å; L844-I848 WeakPolarHBondContact O-CG1 3.36Å; L844-I848 PolarHBondContact O-N 2.84Å; S845-I848 PolarHBondContact O-N 3.46Å; I848-Q850 PolarHBondContact O-N 3.49Å; I848-L851 WeakPolarHBondContact O-CB 3.44Å; I848-L851 PolarHBondContact O-N 3.15Å
849Y85.9Confident80.3Confident23 Ų2351.3 Ų51.39%0.0927%0.272CS..Hα-helixtrans-65.9-21.8177.8-165.4-109.4000114S845 M847 L851 V854 L857 L882 K884S845-Y849 WeakPolarHBondContact O-CB 3.47Å; S845-Y849 PolarHBondContact O-N 3.2Å; S845-Y849 VanDerWaalsContact O-N 3.1Å; M847-Y849 VanDerWaalsContact C-N 3.31Å; M847-Y849 PolarHBondContact O-N 3.32Å; Y849-L851 VanDerWaalsContact C-N 3.32Å; Y849-V854 HydrophobicContact CD2-CG1 3.96Å; Y849-V854 HydrophobicContact CE2-CG1 4.03Å; Y849-L857 HydrophobicContact CE2-CD1 3.78Å; Y849-L882 HydrophobicContact CD1-CB 4.37Å; Y849-L882 HydrophobicContact CE1-CB 4.35Å; Y849-K884 HydrophobicContact CD1-CB 4.44Å; Y849-K884 HydrophobicContact CE1-CB 4.01Å
850Q83.9Confident78.9Confident31 Ų3156.8 Ų56.815%0.14530%0.3CS..THydrogen-bonded Turntrans-84.10.8177.1-58.2-63.5-3.800113.9P615 K846 M847 I848 K883 E885 M894P615-Q850 HydrophobicContact CG-CB 3.82Å; K846-Q850 WeakPolarHBondContact O-CG 3.35Å; M847-Q850 PolarHBondContact O-N 3.46Å; I848-Q850 PolarHBondContact O-N 3.49Å; Q850-K883 PolarHBondContact NE2-O 2.97Å; Q850-E885 VanDerWaalsContact OE1-N 3.17Å; Q850-M894 HydrophobicContact CG-SD 4.21Å; Q850-M894 PolarHBondContact NE2-SD 2.99Å; Q850-M894 VanDerWaalsContact NE2-SD 3.4Å
851L79.4Confident77.3Confident18 Ų1861.3 Ų61.39%0.09433%0.325CS..SBendtrans-69.3138.9173.5-78.1162.8000110.9P615 I620 I848 Y849 I853 V854 K884P615-L851 WeakPolarHBondContact O-CD2 3.41Å; I620-L851 HydrophobicContact CD1-CD1 4Å; I620-L851 HydrophobicContact CD1-CD2 4.02Å; I620-L851 HydrophobicContact CD1-CG 4.04Å; I848-L851 WeakPolarHBondContact O-CB 3.44Å; I848-L851 PolarHBondContact O-N 3.15Å; Y849-L851 VanDerWaalsContact C-N 3.32Å; L851-I853 PolarHBondContact O-N 2.67Å; L851-V854 HydrophobicContact CB-CG2 4.3Å; L851-V854 PolarHBondContact O-N 2.81Å; L851-K884 PolarHBondContact O-NZ 3.09Å; L851-K884 VanDerWaalsContact O-NZ 3.12Å
852D74.1Confident75.7Confident139 Ų13965.5 Ų65.574%0.74333%0.332SS*.THydrogen-bonded Turntrans-60.8-27.8178.6-61.5-28.7000113V854D852-V854 PolarHBondContact O-N 2.75Å
853I74.7Confident74.1Confident81 Ų8167.7 Ų67.742%0.41536%0.355SS..THydrogen-bonded Turntrans-63.4-20.8176.3-58.1164.5000112.3F617 W684 A687 L851 P855F617-I853 HydrophobicContact CE2-CD1 4.27Å; W684-I853 HydrophobicContact CE3-CD1 4.25Å; W684-I853 HydrophobicContact CH2-CD1 4.16Å; W684-I853 HydrophobicContact CZ2-CD1 4.42Å; W684-I853 HydrophobicContact CZ3-CD1 4.06Å; A687-I853 HydrophobicContact CB-CD1 3.67Å; A687-I853 HydrophobicContact CB-CG1 4.26Å; L851-I853 PolarHBondContact O-N 2.67Å; I853-P855 WeakPolarHBondContact O-CD 3.49Å
854V74.6Confident72.5Confident37 Ų3775.6 Ų75.622%0.22440%0.403CS..SBendtrans-90.3116.3-179.8-176.10000110Y849 L851 D852 K884Y849-V854 HydrophobicContact CD2-CG1 3.96Å; Y849-V854 HydrophobicContact CE2-CG1 4.03Å; L851-V854 HydrophobicContact CB-CG2 4.3Å; L851-V854 PolarHBondContact O-N 2.81Å; D852-V854 PolarHBondContact O-N 2.75Å; V854-K884 PolarHBondContact O-NZ 3.31Å
855P71.1Confident70.9Confident84 Ų8475.6 Ų75.655%0.54542%0.416SS..  trans-67.8152.8178.729.1-35.2000111.7I853 L857I853-P855 WeakPolarHBondContact O-CD 3.49Å; P855-L857 PolarHBondContact O-N 3.44Å; P855-L857 VanDerWaalsContact O-N 3.1Å
856E67.3Low69.3Low79 Ų7975.4 Ų75.437%0.36942%0.417SS..  trans-75.898-178.5-145.4-157.8148.900110.5S858 Q859 K884E856-S858 WeakPolarHBondContact CG-OG 3.29Å; E856-S858 PolarHBondContact O-N 3.34Å; E856-S858 VanDerWaalsContact O-N 3.11Å; E856-S858 PolarHBondContact OE1-OG 3.09Å; E856-Q859 HydrophobicContact CB-CG 4.33Å; E856-Q859 PolarHBondContact O-N 2.78Å; E856-Q859 VanDerWaalsContact O-N 3.09Å; E856-Q859 PolarHBondContact OE2-NE2 3.44Å; E856-K884 HydrophobicContact CG-CB 4.41Å; E856-K884 HydrophobicContact CG-CD 4.5Å
857L68.6Low67.9Low73 Ų7382.4 Ų82.438%0.38246%0.455SS..G310 helixtrans-61.1-21.5-177.1-76.7100.7000113.7Y849 P855 Q859 I860 P877Y849-L857 HydrophobicContact CE2-CD1 3.78Å; P855-L857 PolarHBondContact O-N 3.44Å; P855-L857 VanDerWaalsContact O-N 3.1Å; L857-Q859 PolarHBondContact O-N 3.33Å; L857-Q859 VanDerWaalsContact O-N 3.13Å; L857-I860 PolarHBondContact O-N 2.64Å; L857-I860 VanDerWaalsContact O-N 3.11Å; L857-P877 HydrophobicContact CB-CG 3.95Å
858S64.6Low66.7Low25 Ų2589.7 Ų89.718%0.17549%0.494CS..G310 helixtrans-54.6-25.3172.458.70000113.7E856E856-S858 WeakPolarHBondContact CG-OG 3.29Å; E856-S858 PolarHBondContact O-N 3.34Å; E856-S858 VanDerWaalsContact O-N 3.11Å; E856-S858 PolarHBondContact OE1-OG 3.09Å
859Q64.4Low65.5Low144 Ų14487.3 Ų87.367%0.67349%0.485SS*.G310 helixtrans-90.6-15.8-178.6-57-171.416.100113.4E856 L857E856-Q859 HydrophobicContact CB-CG 4.33Å; E856-Q859 PolarHBondContact O-N 2.78Å; E856-Q859 VanDerWaalsContact O-N 3.09Å; E856-Q859 PolarHBondContact OE2-NE2 3.44Å; L857-Q859 PolarHBondContact O-N 3.33Å; L857-Q859 VanDerWaalsContact O-N 3.13Å
860I62Low64.3Low115 Ų11591.1 Ų91.159%0.5952%0.515SS*.THydrogen-bonded Turntrans-92.9-31.6-168.4-59.8177.2000112.3L857L857-I860 PolarHBondContact O-N 2.64Å; L857-I860 VanDerWaalsContact O-N 3.11Å
861D55.9Low63.2Low106 Ų10692.3 Ų92.357%0.56752%0.521SS*.  trans-93.89.7-169.3-88.7-21.3000116G863D861-G863 VanDerWaalsContact C-N 3.26Å; D861-G863 PolarHBondContact O-N 2.66Å
862R55.6Low62.2Low207 Ų20793.3 Ų93.378%0.78154%0.535SS*.  trans-75.178.1173.4-67.8-170.8-172.3168.15111.6
863G54.1Low61.7Low49 Ų4994.6 Ų94.651%0.50554%0.542SS..  trans-61153.117700000113.7D861 G865 A866D861-G863 VanDerWaalsContact C-N 3.26Å; D861-G863 PolarHBondContact O-N 2.66Å; G863-G865 PolarHBondContact O-N 2.89Å; G863-A866 PolarHBondContact O-N 3.38Å
864V52.2Low61.3Low165 Ų16594 Ų94100%154%0.539SS*.THydrogen-bonded Turntrans-63.497.9179.4-175.90000109.9
865G55.3Low61.1Low52 Ų5293.3 Ų93.354%0.53654%0.536SS..THydrogen-bonded Turntrans148.7-18.2-176.200000114.8G863 D867G863-G865 PolarHBondContact O-N 2.89Å; G865-D867 PolarHBondContact O-N 3.01Å
866A53.7Low61.4Low45 Ų4593.2 Ų93.237%0.37253%0.529SS..G310 helixtrans-61.7-24.7-176.400000114.9G863 N868 C869G863-A866 PolarHBondContact O-N 3.38Å; A866-N868 PolarHBondContact O-N 2.99Å; A866-N868 VanDerWaalsContact O-N 3.14Å; A866-C869 WeakPolarHBondContact O-CB 3.34Å; A866-C869 PolarHBondContact O-N 3.29Å
867D57.9Low62Low164 Ų16490.2 Ų90.288%0.87752%0.516SS*.G310 helixtrans-62.5-22.7-175.2-61.3-26.5000114.4G865G865-D867 PolarHBondContact O-N 3.01Å
868N59.2Low62.4Low158 Ų15889.8 Ų89.885%0.84551%0.512SS*.G310 helixtrans-87.8-3.5175.7-84.1-10.4000113.6A866 S870A866-N868 PolarHBondContact O-N 2.99Å; A866-N868 VanDerWaalsContact O-N 3.14Å; N868-S870 PolarHBondContact O-N 3.34Å
869C61.4Low63.3Low39 Ų3991.4 Ų91.426%0.26452%0.515SS..  trans-93.593.8-174.6-50.60000110.5A866 H871 C1029A866-C869 WeakPolarHBondContact O-CB 3.34Å; A866-C869 PolarHBondContact O-N 3.29Å; C869-H871 PolarHBondContact O-N 3.29Å; C869-C1029 HydrophobicContact CB-CB 4.03Å; C869-C1029 WeakPolarHBondContact CB-SG 3.28Å; C869-C1029 WeakPolarHBondContact SG-CB 3.32Å; C869-C1029 CovalentContact SG-SG 2.03Å; C869-C1029 PolarHBondContact SG-SG 3.04Å
870S60Low64.3Low102 Ų10288.4 Ų88.471%0.71350%0.5SS*.  trans-67.70.7178.8570000115.1N868 G872N868-S870 PolarHBondContact O-N 3.34Å; S870-G872 PolarHBondContact O-N 2.96Å
871H60.2Low65.1Low57 Ų5783.2 Ų83.226%0.26447%0.474SS..SBendtrans-100.349-159.7-61.5-54.7000114.1C869 P1026 E1031 Y1058C869-H871 PolarHBondContact O-N 3.29Å; H871-P1026 WeakPolarHBondContact O-CB 3.47Å; H871-E1031 IonicContact CD2-OE1 3.67Å; H871-E1031 IonicContact CE1-OE1 3.79Å; H871-E1031 IonicContact NE2-OE1 3.37Å; H871-E1031 PolarHBondContact NE2-OE1 3.34Å; H871-Y1058 HydrophobicContact CB-CD2 3.9Å; H871-Y1058 HydrophobicContact CB-CG 3.93Å
872G59.4Low66.4Low38 Ų3880 Ų8039%0.39246%0.457SS..  trans93.9151.1165.300000116.5S870 I874S870-G872 PolarHBondContact O-N 2.96Å; G872-I874 PolarHBondContact O-N 3.44Å
873N62.8Low67.4Low166 Ų16674.8 Ų74.889%0.88844%0.44SS*.  trans-9315.1-170.6-68.4-9000115.1S875N873-S875 PolarHBondContact O-N 2.73Å
874I67.1Low68.5Low68 Ų6874.9 Ų74.935%0.34943%0.426SS..  trans-86.5106.1-169.9-55.1173.4000110.4G872 E878 W879 P1026G872-I874 PolarHBondContact O-N 3.44Å; I874-E878 HydrophobicContact CG2-CB 3.93Å; I874-E878 HydrophobicContact CG2-CG 3.98Å; I874-W879 HydrophobicContact CG2-CB 4.39Å; I874-P1026 HydrophobicContact CB-CG 4.01Å; I874-P1026 VanDerWaalsContact O-CG 3.3Å; I874-P1026 WeakPolarHBondContact O-CG 3.22Å
875S70.9Confident69.4Low23 Ų2370.8 Ų70.816%0.16140%0.396CS..  trans-64.6156.1178.766.10000113.6N873 E878 W879 D1027N873-S875 PolarHBondContact O-N 2.73Å; S875-E878 WeakPolarHBondContact O-CA 3.37Å; S875-E878 WeakPolarHBondContact O-CB 3.32Å; S875-E878 PolarHBondContact O-N 3.39Å; S875-W879 PolarHBondContact O-N 3.29Å; S875-D1027 WeakPolarHBondContact CA-OD2 3.29Å
876M77.2Confident69.9Low82 Ų8273.8 Ų73.840%0.40440%0.404SS..Hα-helixtrans-52.9-44.8179.3-164.3-72.7174.300113.6E878 W879 F880 D1027M876-E878 VanDerWaalsContact C-N 3.27Å; M876-E878 PolarHBondContact O-N 2.61Å; M876-W879 HydrophobicContact CE-CE3 4.35Å; M876-W879 HydrophobicContact CE-CZ3 4.31Å; M876-W879 PolarHBondContact O-N 3.08Å; M876-F880 PolarHBondContact O-N 3.06Å; M876-D1027 PolarHBondContact N-OD2 2.74Å
877P79.4Confident70.1Confident16 Ų1681.1 Ų81.110%0.10443%0.431CS..Hα-helixtrans-59.4-35.7173.4-24.235.4000113.2L857 F880 G881 L882L857-P877 HydrophobicContact CB-CG 3.95Å; P877-F880 PolarHBondContact O-N 2.84Å; P877-G881 PolarHBondContact O-N 3.39Å; P877-L882 CarbonylContact C-O 3.39Å; P877-L882 WeakPolarHBondContact CB-O 3.46Å; P877-L882 PolarHBondContact O-N 2.9Å
878E77.8Confident70.2Confident65 Ų6577.3 Ų77.330%0.30443%0.43SS..Hα-helixtrans-73-42.1178.9-168.2167.5-146.500112I874 S875 M876 F880 G881 K883I874-E878 HydrophobicContact CG2-CB 3.93Å; I874-E878 HydrophobicContact CG2-CG 3.98Å; S875-E878 WeakPolarHBondContact O-CA 3.37Å; S875-E878 WeakPolarHBondContact O-CB 3.32Å; S875-E878 PolarHBondContact O-N 3.39Å; M876-E878 VanDerWaalsContact C-N 3.27Å; M876-E878 PolarHBondContact O-N 2.61Å; E878-F880 VanDerWaalsContact C-N 3.27Å; E878-F880 PolarHBondContact O-N 3.22Å; E878-G881 WeakPolarHBondContact O-CA 3.45Å; E878-G881 PolarHBondContact O-N 3.4Å; E878-G881 VanDerWaalsContact O-N 3.08Å; E878-K883 WeakPolarHBondContact OE1-CE 3.4Å; E878-K883 IonicContact OE1-NZ 2.59Å; E878-K883 PolarHBondContact OE1-NZ 2.94Å
879W82.3Confident70.4Confident59 Ų5973.4 Ų73.422%0.22341%0.412CS..Hα-helixtrans-57.9-39.5170.3176.885.4000112A808 I874 S875 M876 V1022 P1025A808-W879 HydrophobicContact CB-CD2 4.33Å; A808-W879 HydrophobicContact CB-CE3 4.06Å; A808-W879 HydrophobicContact CB-CH2 3.79Å; A808-W879 HydrophobicContact CB-CZ2 4.06Å; A808-W879 HydrophobicContact CB-CZ3 3.78Å; A808-W879 PolarHBondContact N-O 2.68Å; I874-W879 HydrophobicContact CG2-CB 4.39Å; S875-W879 PolarHBondContact O-N 3.29Å; M876-W879 HydrophobicContact CE-CE3 4.35Å; M876-W879 HydrophobicContact CE-CZ3 4.31Å; M876-W879 PolarHBondContact O-N 3.08Å; W879-V1022 HydrophobicContact CZ2-CG1 4.07Å; W879-V1022 PolarHBondContact NE1-O 3.2Å; W879-P1025 HydrophobicContact CD2-CB 4.13Å; W879-P1025 HydrophobicContact CE3-CB 4.47Å; W879-P1025 HydrophobicContact CG-CB 4.32Å
880F85Confident70.7Confident81 Ų8175.7 Ų75.736%0.35542%0.419SS..Hα-helixtrans-68.1-40.7173.8-164.1-105.4000111.9A808 L809 M876 P877 E878 L882A808-F880 HydrophobicContact CB-CD2 4.36Å; L809-F880 VanDerWaalsContact CB-O 3.28Å; L809-F880 WeakPolarHBondContact CB-O 3.47Å; L809-F880 HydrophobicContact CD1-CE1 3.83Å; L809-F880 HydrophobicContact CD1-CZ 4.1Å; L809-F880 PolarHBondContact N-O 3.29Å; L809-F880 VanDerWaalsContact N-O 3.14Å; M876-F880 PolarHBondContact O-N 3.06Å; P877-F880 PolarHBondContact O-N 2.84Å; E878-F880 VanDerWaalsContact C-N 3.27Å; E878-F880 PolarHBondContact O-N 3.22Å; F880-L882 HydrophobicContact CD1-CD1 4Å; F880-L882 HydrophobicContact CD1-CG 4.14Å; F880-L882 HydrophobicContact CE1-CD1 4.37Å
881G80.4Confident71.3Confident5 Ų572.1 Ų72.15%0.05239%0.393CS..THydrogen-bonded Turntrans116.121.6176.800000115.5N807 K846 P877 E878N807-G881 VanDerWaalsContact ND2-CA 3.3Å; N807-G881 WeakPolarHBondContact ND2-CA 3.37Å; K846-G881 VanDerWaalsContact CE-O 3.31Å; K846-G881 WeakPolarHBondContact CE-O 3.44Å; P877-G881 PolarHBondContact O-N 3.39Å; E878-G881 WeakPolarHBondContact O-CA 3.45Å; E878-G881 PolarHBondContact O-N 3.4Å; E878-G881 VanDerWaalsContact O-N 3.08Å
882L81.6Confident72.1Confident40 Ų4071.9 Ų71.921%0.20939%0.393CS..  trans-108.398.7174.2-65.2174.7000109.5K846 Y849 P877 F880K846-L882 HydrophobicContact CG-CD2 4.32Å; Y849-L882 HydrophobicContact CD1-CB 4.37Å; Y849-L882 HydrophobicContact CE1-CB 4.35Å; P877-L882 CarbonylContact C-O 3.39Å; P877-L882 WeakPolarHBondContact CB-O 3.46Å; P877-L882 PolarHBondContact O-N 2.9Å; F880-L882 HydrophobicContact CD1-CD1 4Å; F880-L882 HydrophobicContact CD1-CG 4.14Å; F880-L882 HydrophobicContact CE1-CD1 4.37Å
883K77.4Confident73Confident96 Ų9678.6 Ų78.642%0.41741%0.408SS..  trans-113.7131.5178-174.7170.1-172.6152.50109.5Q850 E878 M894Q850-K883 PolarHBondContact NE2-O 2.97Å; E878-K883 WeakPolarHBondContact OE1-CE 3.4Å; E878-K883 IonicContact OE1-NZ 2.59Å; E878-K883 PolarHBondContact OE1-NZ 2.94Å; K883-M894 WeakPolarHBondContact O-CE 3.39Å
884K77.1Confident73.8Confident51 Ų5172.4 Ų72.422%0.22237%0.374CS..PPolyproline II helixtrans-81.2123.6167.8-150.1171.7-169.6177.40106.1Y849 L851 V854 E856Y849-K884 HydrophobicContact CD1-CB 4.44Å; Y849-K884 HydrophobicContact CE1-CB 4.01Å; L851-K884 PolarHBondContact O-NZ 3.09Å; L851-K884 VanDerWaalsContact O-NZ 3.12Å; V854-K884 PolarHBondContact O-NZ 3.31Å; E856-K884 HydrophobicContact CG-CB 4.41Å; E856-K884 HydrophobicContact CG-CD 4.5Å
885E71.4Confident74.5Confident79 Ų7969.2 Ų69.237%0.36936%0.358SS..PPolyproline II helixtrans-87154.8-175.2-70.1-68.4172.100110.5Q850 T889Q850-E885 VanDerWaalsContact OE1-N 3.17Å; E885-T889 VanDerWaalsContact CB-OG1 3.29Å; E885-T889 WeakPolarHBondContact CB-OG1 3.5Å
886V65.7Low75.2Confident116 Ų11674.5 Ų74.570%0.70338%0.378SS*.PPolyproline II helixtrans-65.5142.4-178.2-176.20000110.4G888 T889V886-G888 PolarHBondContact O-N 2.92Å; V886-G888 VanDerWaalsContact O-N 3.17Å; V886-T889 PolarHBondContact O-N 2.94Å; V886-T889 PolarHBondContact O-OG1 3.46Å
887E57.9Low75.5Confident199 Ų19971.7 Ų71.793%0.9337%0.37SS*.THydrogen-bonded Turntrans-45121.1176.3-67.1-177.6164.900111.6
888G59.3Low75.8Confident83 Ų8371 Ų7186%0.85637%0.366SS*.THydrogen-bonded Turntrans110.2-10.3177.300000116.4V886V886-G888 PolarHBondContact O-N 2.92Å; V886-G888 VanDerWaalsContact O-N 3.17Å
889T63.5Low76.3Confident77 Ų7768.5 Ų68.547%0.47235%0.354SS..  trans-80.1127.9171.760.40000111.9E885 V886E885-T889 VanDerWaalsContact CB-OG1 3.29Å; E885-T889 WeakPolarHBondContact CB-OG1 3.5Å; V886-T889 PolarHBondContact O-N 2.94Å; V886-T889 PolarHBondContact O-OG1 3.46Å
890E67.8Low76.5Confident86 Ų8668.3 Ų68.340%0.40236%0.36SS..  trans-68.2135.1178.3-65.4-178.3-174.800112.2I892 Y893E890-I892 HydrophobicContact CB-CG2 3.88Å; E890-I892 PolarHBondContact O-N 3.29Å; E890-Y893 HydrophobicContact CB-CD2 4.01Å; E890-Y893 HydrophobicContact CB-CE2 4.07Å; E890-Y893 PolarHBondContact O-N 3.44Å; E890-Y893 VanDerWaalsContact O-N 3.11Å
891P72.6Confident76.7Confident27 Ų2764.6 Ų64.618%0.17534%0.343CS..Hα-helixtrans-52.7-23.1178.3-29.434.3000115.5T611 Y893 M894 L895T611-P891 WeakPolarHBondContact O-CD 3.36Å; P891-Y893 VanDerWaalsContact C-N 3.29Å; P891-Y893 PolarHBondContact O-N 3.35Å; P891-M894 PolarHBondContact O-N 2.9Å; P891-L895 PolarHBondContact O-N 2.98Å
892I77Confident77Confident53 Ų5364.4 Ų64.427%0.27234%0.341SS..Hα-helixtrans-59.9-35.1178.7-161.7167.7000113E890 F896E890-I892 HydrophobicContact CB-CG2 3.88Å; E890-I892 PolarHBondContact O-N 3.29Å; I892-F896 WeakPolarHBondContact O-CA 3.41Å; I892-F896 WeakPolarHBondContact O-CB 3.1Å; I892-F896 PolarHBondContact O-N 3.15Å
893Y79.4Confident77.3Confident178 Ų17866.6 Ų66.670%0.69835%0.352SS*.Hα-helixtrans-70.9-44.6-179.7-65.9-76.9000111.5E890 P891 L895 F896E890-Y893 HydrophobicContact CB-CD2 4.01Å; E890-Y893 HydrophobicContact CB-CE2 4.07Å; E890-Y893 PolarHBondContact O-N 3.44Å; E890-Y893 VanDerWaalsContact O-N 3.11Å; P891-Y893 VanDerWaalsContact C-N 3.29Å; P891-Y893 PolarHBondContact O-N 3.35Å; Y893-L895 PolarHBondContact O-N 3.28Å; Y893-F896 PolarHBondContact O-N 3.45Å
894M78.6Confident77.8Confident37 Ų3762.7 Ų62.718%0.18234%0.338CS..Hα-helixtrans-59.7-33.5177-165.7-153.6-166.300112.6K846 Q850 K883 P891K846-M894 HydrophobicContact CB-CE 3.75Å; K846-M894 HydrophobicContact CB-SD 3.9Å; K846-M894 HydrophobicContact CD-CE 3.86Å; K846-M894 HydrophobicContact CD-CG 4.49Å; K846-M894 HydrophobicContact CD-SD 4.32Å; K846-M894 HydrophobicContact CG-CE 3.76Å; K846-M894 HydrophobicContact CG-SD 4.42Å; Q850-M894 HydrophobicContact CG-SD 4.21Å; Q850-M894 PolarHBondContact NE2-SD 2.99Å; Q850-M894 VanDerWaalsContact NE2-SD 3.4Å; K883-M894 WeakPolarHBondContact O-CE 3.39Å; P891-M894 PolarHBondContact O-N 2.9Å
895L82.8Confident78.3Confident1 Ų160.3 Ų60.31%0.00533%0.328CS..Hα-helixtrans-99.7-8.2-175.5-64.8174.4000114.2F623 A843 K846 M847 P891 Y893 G897 V898 I899F623-L895 HydrophobicContact CE2-CD1 4.32Å; F623-L895 HydrophobicContact CZ-CD1 4.32Å; A843-L895 HydrophobicContact CB-CD2 4.06Å; K846-L895 HydrophobicContact CB-CD2 4.18Å; M847-L895 HydrophobicContact CG-CD1 3.72Å; M847-L895 HydrophobicContact SD-CD1 3.89Å; P891-L895 PolarHBondContact O-N 2.98Å; Y893-L895 PolarHBondContact O-N 3.28Å; L895-G897 PolarHBondContact O-N 3.39Å; L895-V898 WeakPolarHBondContact O-CB 3.35Å; L895-V898 PolarHBondContact O-N 3.15Å; L895-I899 HydrophobicContact CB-CD1 3.68Å; L895-I899 HydrophobicContact CB-CG1 4.13Å; L895-I899 WeakPolarHBondContact O-CG1 3.48Å; L895-I899 PolarHBondContact O-N 3.47Å
896F85.2Confident79Confident133 Ų13357 Ų5758%0.58331%0.314SS*.Hα-helixtrans-52.6-53.6-167.7-177.6-103.3000113.8I892 Y893 V898 I899 V900I892-F896 WeakPolarHBondContact O-CA 3.41Å; I892-F896 WeakPolarHBondContact O-CB 3.1Å; I892-F896 PolarHBondContact O-N 3.15Å; Y893-F896 PolarHBondContact O-N 3.45Å; F896-V898 VanDerWaalsContact C-N 3.27Å; F896-V898 PolarHBondContact O-N 3.39Å; F896-I899 PolarHBondContact O-N 3.17Å; F896-V900 HydrophobicContact CD1-CG2 4.36Å; F896-V900 HydrophobicContact CD2-CG2 4.46Å; F896-V900 HydrophobicContact CE1-CG2 4Å; F896-V900 HydrophobicContact CE2-CG2 4.11Å; F896-V900 HydrophobicContact CZ-CG2 3.86Å; F896-V900 WeakPolarHBondContact O-CG2 3.28Å; F896-V900 PolarHBondContact O-N 3.17Å
897G83.1Confident80Confident23 Ų2354.9 Ų54.924%0.23730%0.295CS..Hα-helixtrans-63.8-30.9-179.800000113.8L895 S901L895-G897 PolarHBondContact O-N 3.39Å; G897-S901 WeakPolarHBondContact O-CB 3.43Å; G897-S901 PolarHBondContact O-N 3.44Å; G897-S901 VanDerWaalsContact O-N 3.09Å; G897-S901 PolarHBondContact O-OG 3.48Å
898V87.1Confident81.4Confident2 Ų245.9 Ų45.91%0.01225%0.253CS..Hα-helixtrans-72.9-45.7176.1-175.60000110.2F801 L839 A843 L895 F896 V900 S901 I902F801-V898 HydrophobicContact CE2-CG2 4.28Å; F801-V898 HydrophobicContact CZ-CG2 3.76Å; L839-V898 HydrophobicContact CB-CG1 4.09Å; L839-V898 HydrophobicContact CD2-CG1 4.13Å; L839-V898 WeakPolarHBondContact O-CG1 3.48Å; A843-V898 HydrophobicContact CB-CG1 4.04Å; L895-V898 WeakPolarHBondContact O-CB 3.35Å; L895-V898 PolarHBondContact O-N 3.15Å; F896-V898 VanDerWaalsContact C-N 3.27Å; F896-V898 PolarHBondContact O-N 3.39Å; V898-V900 PolarHBondContact O-N 2.99Å; V898-S901 PolarHBondContact O-N 3.43Å; V898-I902 HydrophobicContact CG1-CD1 3.87Å; V898-I902 WeakPolarHBondContact O-CD1 3.45Å; V898-I902 VanDerWaalsContact O-CG1 3.29Å; V898-I902 WeakPolarHBondContact O-CG1 3.48Å; V898-I902 PolarHBondContact O-N 2.92Å
899I86.9Confident82.6Confident12 Ų1242.3 Ų42.36%0.06222%0.215CC..Hα-helixtrans-59.9-45.9175.6-69.1166.7000110.8L607 W626 L895 F896 S901 I902 I903L607-I899 HydrophobicContact CD1-CD1 4.41Å; L607-I899 HydrophobicContact CD2-CG2 4.29Å; W626-I899 HydrophobicContact CH2-CG2 4.21Å; L895-I899 HydrophobicContact CB-CD1 3.68Å; L895-I899 HydrophobicContact CB-CG1 4.13Å; L895-I899 WeakPolarHBondContact O-CG1 3.48Å; L895-I899 PolarHBondContact O-N 3.47Å; F896-I899 PolarHBondContact O-N 3.17Å; I899-S901 PolarHBondContact O-N 2.91Å; I899-I902 PolarHBondContact O-N 3.15Å; I899-I903 HydrophobicContact CG2-CD1 3.74Å; I899-I903 HydrophobicContact CG2-CG1 4.46Å; I899-I903 VanDerWaalsContact O-CG1 3.3Å; I899-I903 WeakPolarHBondContact O-CG1 3.44Å; I899-I903 PolarHBondContact O-N 3.09Å
900V87.4Confident83.6Confident56 Ų5641.3 Ų41.334%0.33921%0.206SC..Hα-helixtrans-61.1-43.6176.8170.90000111.3I797 F896 V898 I903 A904I797-V900 HydrophobicContact CG2-CG1 4.33Å; F896-V900 HydrophobicContact CD1-CG2 4.36Å; F896-V900 HydrophobicContact CD2-CG2 4.46Å; F896-V900 HydrophobicContact CE1-CG2 4Å; F896-V900 HydrophobicContact CE2-CG2 4.11Å; F896-V900 HydrophobicContact CZ-CG2 3.86Å; F896-V900 WeakPolarHBondContact O-CG2 3.28Å; F896-V900 PolarHBondContact O-N 3.17Å; V898-V900 PolarHBondContact O-N 2.99Å; V900-I903 PolarHBondContact O-N 2.79Å; V900-A904 WeakPolarHBondContact O-CB 3.27Å; V900-A904 PolarHBondContact O-N 2.93Å
901S87.9Confident84.5Confident2 Ų237.2 Ų37.21%0.01419%0.187CC..Hα-helixtrans-63.7-41.4177.2-61.90000112.3G897 V898 I899 A904 L905G897-S901 WeakPolarHBondContact O-CB 3.43Å; G897-S901 PolarHBondContact O-N 3.44Å; G897-S901 VanDerWaalsContact O-N 3.09Å; G897-S901 PolarHBondContact O-OG 3.48Å; V898-S901 PolarHBondContact O-N 3.43Å; I899-S901 PolarHBondContact O-N 2.91Å; S901-A904 PolarHBondContact O-N 3.02Å; S901-L905 WeakPolarHBondContact O-CG 3.5Å; S901-L905 PolarHBondContact O-N 2.74Å
902I87.7Confident84.9Confident1 Ų138.7 Ų38.71%0.00519%0.193CC..Hα-helixtrans-62.3-45.5173.9-72161.9000111.1W626 L630 L839 F840 V898 I899 A904 L905 A906W626-I902 HydrophobicContact CH2-CG2 4.36Å; L630-I902 HydrophobicContact CD1-CG2 3.89Å; L839-I902 HydrophobicContact CB-CD1 4.37Å; L839-I902 HydrophobicContact CB-CG1 4.08Å; F840-I902 HydrophobicContact CD1-CD1 3.67Å; F840-I902 HydrophobicContact CD1-CG1 4.35Å; F840-I902 HydrophobicContact CE1-CD1 3.72Å; F840-I902 HydrophobicContact CE1-CG1 4.13Å; F840-I902 HydrophobicContact CE1-CG2 3.6Å; F840-I902 HydrophobicContact CG-CD1 4.41Å; F840-I902 HydrophobicContact CZ-CD1 4.47Å; F840-I902 HydrophobicContact CZ-CG1 4.41Å; F840-I902 HydrophobicContact CZ-CG2 3.54Å; V898-I902 HydrophobicContact CG1-CD1 3.87Å; V898-I902 WeakPolarHBondContact O-CD1 3.45Å; V898-I902 VanDerWaalsContact O-CG1 3.29Å; V898-I902 WeakPolarHBondContact O-CG1 3.48Å; V898-I902 PolarHBondContact O-N 2.92Å; I899-I902 PolarHBondContact O-N 3.15Å; I902-A904 VanDerWaalsContact C-N 3.34Å; I902-A904 PolarHBondContact O-N 3.45Å; I902-L905 PolarHBondContact O-N 3.39Å; I902-A906 WeakPolarHBondContact O-CB 3.46Å; I902-A906 PolarHBondContact O-N 3.44Å
903I87.2Confident85.1Confident86 Ų8640 Ų4044%0.44120%0.195SC..Hα-helixtrans-63.8-40177.8-69.8168.5000110.8I899 V900 A906 F907I899-I903 HydrophobicContact CG2-CD1 3.74Å; I899-I903 HydrophobicContact CG2-CG1 4.46Å; I899-I903 VanDerWaalsContact O-CG1 3.3Å; I899-I903 WeakPolarHBondContact O-CG1 3.44Å; I899-I903 PolarHBondContact O-N 3.09Å; V900-I903 PolarHBondContact O-N 2.79Å; I903-A906 PolarHBondContact O-N 2.81Å; I903-F907 WeakPolarHBondContact O-CB 3.46Å; I903-F907 PolarHBondContact O-N 2.84Å
904A88.1Confident85.3Confident14 Ų1435 Ų3512%0.11618%0.175CC..Hα-helixtrans-63.6-42.817600000112.1V794 I797 V900 S901 I902 F907 Q908V794-A904 HydrophobicContact CG2-CB 4.3Å; I797-A904 HydrophobicContact CD1-CB 4.02Å; V900-A904 WeakPolarHBondContact O-CB 3.27Å; V900-A904 PolarHBondContact O-N 2.93Å; S901-A904 PolarHBondContact O-N 3.02Å; I902-A904 VanDerWaalsContact C-N 3.34Å; I902-A904 PolarHBondContact O-N 3.45Å; A904-F907 PolarHBondContact O-N 3.43Å; A904-Q908 PolarHBondContact O-N 3.01Å
905L88.6Confident85.5Confident2 Ų233.4 Ų33.41%0.0117%0.167CC..Hα-helixtrans-66.2-36174.6-72.1164.4000112.5K634 V794 M835 C836 L839 S901 I902 Q908 S909K634-L905 WeakPolarHBondContact CE-O 3.36Å; V794-L905 HydrophobicContact CG1-CD2 3.77Å; V794-L905 HydrophobicContact CG1-CG 4.27Å; M835-L905 HydrophobicContact CB-CD1 4.36Å; C836-L905 HydrophobicContact CB-CB 4.49Å; C836-L905 HydrophobicContact CB-CD1 3.93Å; L839-L905 HydrophobicContact CD1-CD1 3.92Å; S901-L905 WeakPolarHBondContact O-CG 3.5Å; S901-L905 PolarHBondContact O-N 2.74Å; I902-L905 PolarHBondContact O-N 3.39Å; L905-Q908 WeakPolarHBondContact O-CB 3.43Å; L905-S909 PolarHBondContact O-N 3Å
906A84.4Confident85.5Confident9 Ų940.3 Ų40.37%0.07419%0.193CC..Hα-helixtrans-68.4-42.517200000111.7I902 I903 Q908 S909 I910I902-A906 WeakPolarHBondContact O-CB 3.46Å; I902-A906 PolarHBondContact O-N 3.44Å; I903-A906 PolarHBondContact O-N 2.81Å; A906-Q908 VanDerWaalsContact C-N 3.33Å; A906-Q908 PolarHBondContact O-N 2.88Å; A906-S909 PolarHBondContact O-N 3.24Å; A906-S909 VanDerWaalsContact O-N 3.12Å; A906-S909 PolarHBondContact O-OG 2.9Å; A906-I910 WeakPolarHBondContact O-CG1 3.43Å; A906-I910 PolarHBondContact O-N 3.16Å; A906-I910 VanDerWaalsContact O-N 3.08Å
907F87.1Confident85.2Confident71 Ų7139.2 Ų39.231%0.31119%0.189SC..Hα-helixtrans-63.9-37.4177.5-173.6-111.2000112.2W783 F786 I790 I903 A904 S909 I910 V911W783-F907 HydrophobicContact CH2-CE2 4.26Å; W783-F907 HydrophobicContact CH2-CZ 4.46Å; W783-F907 HydrophobicContact CZ3-CE2 4.26Å; W783-F907 HydrophobicContact CZ3-CZ 4.18Å; F786-F907 HydrophobicContact CE2-CZ 4.42Å; I790-F907 HydrophobicContact CD1-CD1 4.02Å; I790-F907 HydrophobicContact CD1-CE1 4.31Å; I903-F907 WeakPolarHBondContact O-CB 3.46Å; I903-F907 PolarHBondContact O-N 2.84Å; A904-F907 PolarHBondContact O-N 3.43Å; F907-S909 VanDerWaalsContact C-N 3.28Å; F907-S909 PolarHBondContact O-N 3.39Å; F907-I910 PolarHBondContact O-N 2.72Å; F907-I910 VanDerWaalsContact O-N 3.14Å; F907-V911 HydrophobicContact CD1-CG2 4.03Å; F907-V911 HydrophobicContact CE1-CG2 3.66Å; F907-V911 HydrophobicContact CE2-CG2 4.31Å; F907-V911 HydrophobicContact CG-CG2 4.49Å; F907-V911 HydrophobicContact CZ-CG2 3.82Å; F907-V911 WeakPolarHBondContact O-CG2 3.47Å; F907-V911 PolarHBondContact O-N 3.19Å
908Q88.5Confident85Confident11 Ų1141.5 Ų41.55%0.05119%0.191CC..Hα-helixtrans-52.6-44.2170.7-170.5-158.423.500112I790 V794 A904 L905 A906 I912I790-Q908 HydrophobicContact CG1-CB 4.16Å; I790-Q908 HydrophobicContact CG1-CG 4.14Å; I790-Q908 HydrophobicContact CG2-CG 4.35Å; V794-Q908 HydrophobicContact CG2-CB 4.28Å; A904-Q908 PolarHBondContact O-N 3.01Å; L905-Q908 WeakPolarHBondContact O-CB 3.43Å; A906-Q908 VanDerWaalsContact C-N 3.33Å; A906-Q908 PolarHBondContact O-N 2.88Å; Q908-I912 HydrophobicContact CG-CD1 4.23Å; Q908-I912 WeakPolarHBondContact O-CD1 3.23Å; Q908-I912 VanDerWaalsContact O-CG1 3.3Å; Q908-I912 WeakPolarHBondContact O-CG1 3.31Å; Q908-I912 PolarHBondContact O-N 3.16Å
909S83.6Confident84.7Confident8 Ų843 Ų436%0.05620%0.197CC..Hα-helixtrans-71.4-38.8177.978.20000111.9L905 A906 F907 V911 I912 Y913L905-S909 PolarHBondContact O-N 3Å; A906-S909 PolarHBondContact O-N 3.24Å; A906-S909 VanDerWaalsContact O-N 3.12Å; A906-S909 PolarHBondContact O-OG 2.9Å; F907-S909 VanDerWaalsContact C-N 3.28Å; F907-S909 PolarHBondContact O-N 3.39Å; S909-V911 PolarHBondContact O-N 3.33Å; S909-I912 PolarHBondContact O-N 3.07Å; S909-Y913 WeakPolarHBondContact O-CB 3.46Å; S909-Y913 WeakPolarHBondContact O-CD2 3.48Å; S909-Y913 PolarHBondContact O-N 3.42Å
910I85.3Confident84.2Confident55 Ų5546.3 Ų46.328%0.28223%0.226SC..Hα-helixtrans-60-46.1176.1-65.4167.8000111.5L633 A906 F907 I912 Y913 R914L633-I910 HydrophobicContact CD2-CD1 4.23Å; L633-I910 HydrophobicContact CD2-CG1 4.29Å; A906-I910 WeakPolarHBondContact O-CG1 3.43Å; A906-I910 PolarHBondContact O-N 3.16Å; A906-I910 VanDerWaalsContact O-N 3.08Å; F907-I910 PolarHBondContact O-N 2.72Å; F907-I910 VanDerWaalsContact O-N 3.14Å; I910-I912 PolarHBondContact O-N 3.01Å; I910-Y913 PolarHBondContact O-N 3.26Å; I910-R914 VanDerWaalsContact O-CB 3.28Å; I910-R914 WeakPolarHBondContact O-CB 3.17Å; I910-R914 PolarHBondContact O-N 2.89Å
911V86.2Confident83.5Confident0 Ų047.3 Ų47.30%024%0.235CC..Hα-helixtrans-56.9-50.7176.4172.50000110.5W783 F786 F907 S909 R914 Q915W783-V911 HydrophobicContact CE3-CB 4.45Å; W783-V911 HydrophobicContact CE3-CG1 4.38Å; W783-V911 HydrophobicContact CE3-CG2 4.04Å; W783-V911 HydrophobicContact CZ3-CB 4.33Å; W783-V911 HydrophobicContact CZ3-CG2 3.71Å; F786-V911 HydrophobicContact CB-CG1 4.09Å; F786-V911 HydrophobicContact CB-CG2 4.32Å; F907-V911 HydrophobicContact CD1-CG2 4.03Å; F907-V911 HydrophobicContact CE1-CG2 3.66Å; F907-V911 HydrophobicContact CE2-CG2 4.31Å; F907-V911 HydrophobicContact CG-CG2 4.49Å; F907-V911 HydrophobicContact CZ-CG2 3.82Å; F907-V911 WeakPolarHBondContact O-CG2 3.47Å; F907-V911 PolarHBondContact O-N 3.19Å; S909-V911 PolarHBondContact O-N 3.33Å; V911-R914 PolarHBondContact O-N 3.34Å; V911-Q915 PolarHBondContact O-N 2.85Å
912I81.6Confident82.9Confident59 Ų5951.8 Ų51.830%0.30326%0.259SS..Hα-helixtrans-66.4-44.3-177.1-66.5168.7000111.1Q908 S909 I910 Q915 R916Q908-I912 HydrophobicContact CG-CD1 4.23Å; Q908-I912 WeakPolarHBondContact O-CD1 3.23Å; Q908-I912 VanDerWaalsContact O-CG1 3.3Å; Q908-I912 WeakPolarHBondContact O-CG1 3.31Å; Q908-I912 PolarHBondContact O-N 3.16Å; S909-I912 PolarHBondContact O-N 3.07Å; I910-I912 PolarHBondContact O-N 3.01Å; I912-Q915 PolarHBondContact O-N 3.41Å; I912-R916 VanDerWaalsContact O-CB 3.3Å; I912-R916 WeakPolarHBondContact O-CB 3.27Å; I912-R916 PolarHBondContact O-N 3.36Å
913Y80.9Confident82.2Confident80 Ų8055.1 Ų55.131%0.31429%0.294SS..Hα-helixtrans-66.5-40.2177.4-71.2-49000112.3S909 I910 H917S909-Y913 WeakPolarHBondContact O-CB 3.46Å; S909-Y913 WeakPolarHBondContact O-CD2 3.48Å; S909-Y913 PolarHBondContact O-N 3.42Å; I910-Y913 PolarHBondContact O-N 3.26Å; Y913-H917 WeakPolarHBondContact O-CB 3.35Å; Y913-H917 PolarHBondContact O-N 2.98Å
914R83.4Confident81.8Confident73 Ų7354.4 Ų54.428%0.27529%0.29SS..Hα-helixtrans-60.2-51.2174.7-175.2-161.6-178.1-901.1110.8E780 W783 I910 V911 H917 Y918E780-R914 IonicContact OE1-CZ 3.47Å; E780-R914 IonicContact OE1-NH1 3.93Å; E780-R914 PolarHBondContact OE1-NH1 3.2Å; E780-R914 IonicContact OE1-NH2 2.75Å; E780-R914 PolarHBondContact OE1-NH2 2.98Å; E780-R914 IonicContact OE2-CZ 2.73Å; E780-R914 IonicContact OE2-NH1 3.99Å; E780-R914 PolarHBondContact OE2-NH1 3.06Å; E780-R914 IonicContact OE2-NH2 3.91Å; W783-R914 VanDerWaalsContact CD1-NH1 3.31Å; W783-R914 VanDerWaalsContact CE2-CD 3.42Å; I910-R914 VanDerWaalsContact O-CB 3.28Å; I910-R914 WeakPolarHBondContact O-CB 3.17Å; I910-R914 PolarHBondContact O-N 2.89Å; V911-R914 PolarHBondContact O-N 3.34Å; R914-H917 PolarHBondContact O-N 2.92Å; R914-Y918 WeakPolarHBondContact O-CB 3.46Å; R914-Y918 PolarHBondContact O-N 2.9Å
915Q83.4Confident81.2Confident4 Ų457.2 Ų57.22%0.01931%0.307CS..Hα-helixtrans-68-35.8-177.8-77.8-58.5-20.900112.5E780 V911 I912 Y918 R919E780-Q915 PolarHBondContact OE2-NE2 3.29Å; V911-Q915 PolarHBondContact O-N 2.85Å; I912-Q915 PolarHBondContact O-N 3.41Å; Q915-Y918 PolarHBondContact O-N 2.95Å; Q915-R919 WeakPolarHBondContact O-CG 3.32Å; Q915-R919 PolarHBondContact O-N 3.27Å
916R82.5Confident80.3Confident145 Ų14563.6 Ų63.655%0.54734%0.337SS..Hα-helixtrans-62.2-43.8170.6-177.5173.7-82.7171.1-7.3112I912 A920I912-R916 VanDerWaalsContact O-CB 3.3Å; I912-R916 WeakPolarHBondContact O-CB 3.27Å; I912-R916 PolarHBondContact O-N 3.36Å; R916-A920 VanDerWaalsContact O-CB 3.25Å; R916-A920 WeakPolarHBondContact O-CB 3.21Å; R916-A920 PolarHBondContact O-N 3.4Å
917H77.9Confident79.6Confident110 Ų11068.1 Ų68.151%0.50937%0.368SS..Hα-helixtrans-64.5-42.9175.1-177-80.1000112Y913 R914 A920 S921Y913-H917 WeakPolarHBondContact O-CB 3.35Å; Y913-H917 PolarHBondContact O-N 2.98Å; R914-H917 PolarHBondContact O-N 2.92Å; H917-A920 PolarHBondContact O-N 3.43Å; H917-S921 WeakPolarHBondContact O-CB 3.32Å; H917-S921 PolarHBondContact O-N 2.86Å; H917-S921 PolarHBondContact O-OG 3.47Å
918Y79Confident78.8Confident71 Ų7167.7 Ų67.728%0.27837%0.368SS..Hα-helixtrans-61-49.6178.5-177-106.2000111.5R914 Q915 A920 S921 L922R914-Y918 WeakPolarHBondContact O-CB 3.46Å; R914-Y918 PolarHBondContact O-N 2.9Å; Q915-Y918 PolarHBondContact O-N 2.95Å; Y918-A920 PolarHBondContact O-N 3.24Å; Y918-S921 PolarHBondContact O-N 3.26Å; Y918-S921 PolarHBondContact O-OG 2.89Å; Y918-L922 HydrophobicContact CD1-CD1 4.16Å; Y918-L922 HydrophobicContact CD2-CD1 4.17Å; Y918-L922 HydrophobicContact CE1-CD1 3.66Å; Y918-L922 HydrophobicContact CE2-CD1 3.68Å; Y918-L922 HydrophobicContact CG-CD1 4.39Å; Y918-L922 PolarHBondContact O-N 3.28Å
919R81Confident77.9Confident34 Ų3473.5 Ų73.513%0.12839%0.389CS..Hα-helixtrans-60.8-43.2173.3-70.7-168.9-175.4101.910.6112.5E787 Q915 S921 L922 G923 L924E787-R919 IonicContact OE1-CZ 3.09Å; E787-R919 VanDerWaalsContact OE1-CZ 3.28Å; E787-R919 IonicContact OE1-NH1 3.94Å; E787-R919 PolarHBondContact OE1-NH1 3.16Å; E787-R919 IonicContact OE1-NH2 2.67Å; E787-R919 PolarHBondContact OE1-NH2 3.12Å; E787-R919 IonicContact OE2-CZ 3.88Å; E787-R919 IonicContact OE2-NH1 2.62Å; E787-R919 IonicContact OE2-NH2 3.91Å; E787-R919 PolarHBondContact OE2-NH2 3.46Å; Q915-R919 WeakPolarHBondContact O-CG 3.32Å; Q915-R919 PolarHBondContact O-N 3.27Å; R919-S921 VanDerWaalsContact C-N 3.29Å; R919-S921 PolarHBondContact O-N 3.08Å; R919-L922 CarbonylContact O-C 3.36Å; R919-L922 PolarHBondContact O-N 2.83Å; R919-L922 VanDerWaalsContact O-N 3.09Å; R919-G923 PolarHBondContact O-N 2.88Å; R919-L924 HydrophobicContact CB-CB 4.49Å; R919-L924 HydrophobicContact CG-CB 4.26Å; R919-L924 PolarHBondContact O-N 3.29Å
920A76.3Confident77.4Confident81 Ų8176.9 Ų76.967%0.66942%0.418SS*.Hα-helixtrans-63.1-34.1177.700000112.7R916 H917 Y918 L922R916-A920 VanDerWaalsContact O-CB 3.25Å; R916-A920 WeakPolarHBondContact O-CB 3.21Å; R916-A920 PolarHBondContact O-N 3.4Å; H917-A920 PolarHBondContact O-N 3.43Å; Y918-A920 PolarHBondContact O-N 3.24Å; A920-L922 VanDerWaalsContact C-N 3.28Å; A920-L922 PolarHBondContact O-N 2.86Å
921S72.5Confident77Confident77 Ų7778.6 Ų78.654%0.53842%0.423SS..Hα-helixtrans-75.4-11.1174.965.70000114.7H917 Y918 R919H917-S921 WeakPolarHBondContact O-CB 3.32Å; H917-S921 PolarHBondContact O-N 2.86Å; H917-S921 PolarHBondContact O-OG 3.47Å; Y918-S921 PolarHBondContact O-N 3.26Å; Y918-S921 PolarHBondContact O-OG 2.89Å; R919-S921 VanDerWaalsContact C-N 3.29Å; R919-S921 PolarHBondContact O-N 3.08Å
922L76.1Confident76.8Confident97 Ų9779 Ų7951%0.50843%0.426SS..Hα-helixtrans-123.8-8.7-175.8-68.6175.2000114.8Y918 R919 A920 L924Y918-L922 HydrophobicContact CD1-CD1 4.16Å; Y918-L922 HydrophobicContact CD2-CD1 4.17Å; Y918-L922 HydrophobicContact CE1-CD1 3.66Å; Y918-L922 HydrophobicContact CE2-CD1 3.68Å; Y918-L922 HydrophobicContact CG-CD1 4.39Å; Y918-L922 PolarHBondContact O-N 3.28Å; R919-L922 CarbonylContact O-C 3.36Å; R919-L922 PolarHBondContact O-N 2.83Å; R919-L922 VanDerWaalsContact O-N 3.09Å; A920-L922 VanDerWaalsContact C-N 3.28Å; A920-L922 PolarHBondContact O-N 2.86Å; L922-L924 HydrophobicContact CB-CD1 4.27Å; L922-L924 HydrophobicContact CB-CG 4.13Å; L922-L924 HydrophobicContact CD1-CD1 4.36Å
923G73.4Confident76.8Confident71 Ų7178.1 Ų78.173%0.73242%0.42SS*.THydrogen-bonded Turntrans74.224.2179.500000116.1R919R919-G923 PolarHBondContact O-N 2.88Å
924L77.3Confident76.4Confident71 Ų7176.2 Ų76.237%0.37242%0.417SS..  trans-87140.7-174.1-62.2173.5000113.8R919 L922 M928R919-L924 HydrophobicContact CB-CB 4.49Å; R919-L924 HydrophobicContact CG-CB 4.26Å; R919-L924 PolarHBondContact O-N 3.29Å; L922-L924 HydrophobicContact CB-CD1 4.27Å; L922-L924 HydrophobicContact CB-CG 4.13Å; L922-L924 HydrophobicContact CD1-CD1 4.36Å; L924-M928 HydrophobicContact CB-CE 4.28Å; L924-M928 HydrophobicContact CD2-CE 4.33Å
925P77Confident76.1Confident73 Ų7380 Ų8047%0.47444%0.443SS..  trans-73.2153.9-177.929.5-36.8000114.7S927 M928P925-S927 PolarHBondContact O-N 2.95Å; P925-M928 HydrophobicContact CG-CE 3.66Å
926E69.5Low76Confident135 Ų13580.6 Ų80.663%0.63145%0.446SS*.G310 helixtrans-74.2-17.7-176.2-65.6-159.6144.100115M928 R929E926-M928 PolarHBondContact O-N 3.44Å; E926-M928 VanDerWaalsContact O-N 3.1Å; E926-R929 VanDerWaalsContact O-CB 3.31Å; E926-R929 WeakPolarHBondContact O-CB 3.18Å; E926-R929 PolarHBondContact O-N 2.9Å; E926-R929 VanDerWaalsContact O-N 3.11Å
927S68.4Low75.7Confident105 Ų10578.6 Ų78.673%0.73444%0.442SS*.G310 helixtrans-62.2-20-178.157.10000114.3P925 R929P925-S927 PolarHBondContact O-N 2.95Å; S927-R929 PolarHBondContact O-N 3.05Å
928M70Confident75.6Confident62 Ų6277.7 Ų77.731%0.30544%0.438SS..G310 helixtrans-70.8-4.9175.4-74.9-173.5-100.800114.4L924 P925 E926 A930 P934L924-M928 HydrophobicContact CB-CE 4.28Å; L924-M928 HydrophobicContact CD2-CE 4.33Å; P925-M928 HydrophobicContact CG-CE 3.66Å; E926-M928 PolarHBondContact O-N 3.44Å; E926-M928 VanDerWaalsContact O-N 3.1Å; M928-A930 PolarHBondContact O-N 3.23Å; M928-A930 VanDerWaalsContact O-N 3.15Å; M928-P934 HydrophobicContact CG-CB 4.12Å; M928-P934 HydrophobicContact SD-CB 3.95Å; M928-P934 HydrophobicContact SD-CG 4.21Å
929R71.6Confident75.6Confident133 Ų13377.6 Ų77.650%0.50245%0.448SS..G310 helixtrans-61.8-19.9-176.4-175.9172.6177.7-155.5-4.6115.1E787 E926 S927E787-R929 HydrophobicContact CG-CG 4.44Å; E926-R929 VanDerWaalsContact O-CB 3.31Å; E926-R929 WeakPolarHBondContact O-CB 3.18Å; E926-R929 PolarHBondContact O-N 2.9Å; E926-R929 VanDerWaalsContact O-N 3.11Å; S927-R929 PolarHBondContact O-N 3.05Å
930A72.5Confident75.7Confident79 Ų7979.1 Ų79.165%0.65346%0.456SS*.G310 helixtrans-99.5-3.4-170.400000116.1M928M928-A930 PolarHBondContact O-N 3.23Å; M928-A930 VanDerWaalsContact O-N 3.15Å
931K77.2Confident76Confident91 Ų9178 Ų7840%0.39644%0.436SS..  trans-127.9146.7-178.6-65.1-174.5178.3-175.20110.6Y955K931-Y955 PolarHBondContact NZ-OH 3.11Å
932V81Confident76.2Confident9 Ų975.2 Ų75.26%0.05542%0.416CS..SBendtrans-80.7-41.5176-178.90000110.2L781 V788 P934 I953 D954L781-V932 HydrophobicContact CD1-CG1 3.66Å; V788-V932 HydrophobicContact CG2-CG2 4.29Å; V932-P934 WeakPolarHBondContact O-CD 3.36Å; V932-I953 HydrophobicContact CB-CG2 4.36Å; V932-I953 HydrophobicContact CG2-CG2 4.35Å; V932-D954 PolarHBondContact N-OD1 2.91Å
933F82.9Confident76.4Confident39 Ų3979.6 Ų79.617%0.17143%0.425CS..  trans-11291.6177.2-55.1-78.4000111.2L781 D935 F936 Q950 I953 D954L781-F933 HydrophobicContact CD1-CD1 4.22Å; L781-F933 HydrophobicContact CD1-CE1 3.52Å; L781-F933 HydrophobicContact CD1-CZ 3.88Å; L781-F933 HydrophobicContact CD2-CE1 4.25Å; L781-F933 HydrophobicContact CD2-CZ 4.36Å; F933-D935 PolarHBondContact O-N 3.43Å; F933-D935 VanDerWaalsContact O-N 3.15Å; F933-F936 HydrophobicContact CB-CB 4.35Å; F933-F936 PolarHBondContact O-N 3.33Å; F933-Q950 HydrophobicContact CD2-CB 4.4Å; F933-Q950 HydrophobicContact CD2-CG 4.12Å; F933-Q950 HydrophobicContact CE2-CG 4.3Å; F933-Q950 HydrophobicContact CG-CG 4.27Å; F933-I953 HydrophobicContact CD2-CG2 4.48Å; F933-I953 HydrophobicContact CE2-CB 4.27Å; F933-I953 HydrophobicContact CE2-CD1 3.86Å; F933-I953 HydrophobicContact CE2-CG2 4.04Å; F933-I953 HydrophobicContact CZ-CD1 4.42Å; F933-D954 WeakPolarHBondContact CB-OD2 3.34Å
934P71.8Confident76.7Confident40 Ų4078.1 Ų78.126%0.2640%0.403SS..THydrogen-bonded Turntrans-63-21.6-179.425.2-34.1000113.7M928 V932 F936M928-P934 HydrophobicContact CG-CB 4.12Å; M928-P934 HydrophobicContact SD-CB 3.95Å; M928-P934 HydrophobicContact SD-CG 4.21Å; V932-P934 WeakPolarHBondContact O-CD 3.36Å; P934-F936 PolarHBondContact O-N 3.31Å
935D77.1Confident76.8Confident154 Ų15480.1 Ų80.182%0.82441%0.414SS*.THydrogen-bonded Turntrans-83.7-2.6-174-43.6-38.9000114.4F933F933-D935 PolarHBondContact O-N 3.43Å; F933-D935 VanDerWaalsContact O-N 3.15Å
936F80.4Confident77.1Confident16 Ų1683.3 Ų83.37%0.0742%0.421CS..  trans-101.8135.5-168.9-179.7-102.1000114.7F933 P934 H940 N947 Q950 F951 Y955F933-F936 HydrophobicContact CB-CB 4.35Å; F933-F936 PolarHBondContact O-N 3.33Å; P934-F936 PolarHBondContact O-N 3.31Å; F936-H940 HydrophobicContact CE2-CB 4.25Å; F936-N947 HydrophobicContact CE2-CB 3.91Å; F936-N947 WeakPolarHBondContact CZ-O 3.15Å; F936-Q950 HydrophobicContact CD1-CB 4.26Å; F936-Q950 HydrophobicContact CD2-CB 4.02Å; F936-Q950 HydrophobicContact CE2-CB 4.38Å; F936-Q950 HydrophobicContact CG-CB 3.98Å; F936-F951 HydrophobicContact CE1-CB 3.7Å; F936-F951 HydrophobicContact CE1-CD2 4.21Å; F936-F951 HydrophobicContact CE1-CG 4.48Å; F936-F951 HydrophobicContact CZ-CB 3.78Å; F936-Y955 HydrophobicContact CD1-CE2 4.19Å; F936-Y955 HydrophobicContact CE1-CD2 4.45Å; F936-Y955 HydrophobicContact CE1-CE2 4.25Å
937H77Confident77.9Confident102 Ų10278.3 Ų78.347%0.47240%0.398SS..  trans-119.8140178.3-164.4-89.2000112.1S939 H940H937-S939 VanDerWaalsContact C-N 3.28Å; H937-S939 PolarHBondContact ND1-OG 3.49Å; H937-S939 PolarHBondContact O-N 3.41Å; H937-S939 VanDerWaalsContact O-N 3.13Å; H937-H940 PolarHBondContact O-N 3.29Å
938H76.2Confident78.6Confident91 Ų9174.6 Ų74.642%0.42137%0.374SS..G310 helixtrans-60.6-31.5-166.765-126.6000114.2H940 F941 F951H938-H940 PolarHBondContact O-N 2.92Å; H938-H940 VanDerWaalsContact O-N 3.1Å; H938-F941 VanDerWaalsContact O-CD1 3.31Å; H938-F941 WeakPolarHBondContact O-CD1 3.38Å; H938-F941 PolarHBondContact O-N 2.55Å; H938-F951 HydrophobicContact CB-CD2 4.4Å; H938-F951 HydrophobicContact CB-CE2 4.27Å
939S78.8Confident79.3Confident70 Ų7076 Ų7649%0.4938%0.381SS..G310 helixtrans-69.6-7.3-175.352.10000114.3H937H937-S939 VanDerWaalsContact C-N 3.28Å; H937-S939 PolarHBondContact ND1-OG 3.49Å; H937-S939 PolarHBondContact O-N 3.41Å; H937-S939 VanDerWaalsContact O-N 3.13Å
940H83.4Confident80Confident66 Ų6671 Ų7131%0.30636%0.364SS..G310 helixtrans-96.51.1-179.1-65-40.6000114.8F936 H937 H938 D942 R943 N947F936-H940 HydrophobicContact CE2-CB 4.25Å; H937-H940 PolarHBondContact O-N 3.29Å; H938-H940 PolarHBondContact O-N 2.92Å; H938-H940 VanDerWaalsContact O-N 3.1Å; H940-D942 VanDerWaalsContact C-N 3.34Å; H940-D942 PolarHBondContact O-N 2.74Å; H940-R943 PolarHBondContact O-N 2.6Å; H940-N947 WeakPolarHBondContact O-CB 3.05Å; H940-N947 PolarHBondContact O-ND2 2.82Å
941F81.3Confident80.7Confident56 Ų5669.2 Ų69.225%0.24634%0.341CS..G310 helixtrans-58-39.3-172.780.5-76.9000113.9H938 R943 F951 Y1281H938-F941 VanDerWaalsContact O-CD1 3.31Å; H938-F941 WeakPolarHBondContact O-CD1 3.38Å; H938-F941 PolarHBondContact O-N 2.55Å; F941-R943 VanDerWaalsContact C-N 3.33Å; F941-R943 PolarHBondContact O-N 3.46Å; F941-F951 HydrophobicContact CB-CB 4.04Å; F941-F951 HydrophobicContact CB-CD2 4.4Å; F941-F951 HydrophobicContact CB-CG 4.09Å; F941-Y1281 WeakPolarHBondContact CZ-OH 3.26Å
942D77.8Confident81.1Confident20 Ų2070.2 Ų70.211%0.10735%0.351CS..G310 helixtrans-73.4-17.4-177.7-83.8-18.7000115.3H940 S944 K1123H940-D942 VanDerWaalsContact C-N 3.34Å; H940-D942 PolarHBondContact O-N 2.74Å; D942-S944 PolarHBondContact O-N 2.74Å; D942-K1123 WeakPolarHBondContact OD1-CE 3.47Å; D942-K1123 IonicContact OD1-NZ 2.89Å; D942-K1123 PolarHBondContact OD1-NZ 3.14Å; D942-K1123 IonicContact OD2-NZ 3.66Å; D942-K1123 PolarHBondContact OD2-NZ 3.28Å
943R79.3Confident81.2Confident189 Ų18974 Ų7471%0.71337%0.369SS*.G310 helixtrans-70.3-31.7-174.4-67.6-173.7176.2-173.4-2.5113.5H940 F941H940-R943 PolarHBondContact O-N 2.6Å; F941-R943 VanDerWaalsContact C-N 3.33Å; F941-R943 PolarHBondContact O-N 3.46Å
944S80.5Confident81.3Confident39 Ų3973.9 Ų73.927%0.27337%0.37SS..  trans-159.4156.2-179.477.60000112.8D942 K946 N947 A948D942-S944 PolarHBondContact O-N 2.74Å; S944-K946 PolarHBondContact O-N 3.04Å; S944-N947 WeakPolarHBondContact O-CB 3.48Å; S944-N947 PolarHBondContact O-N 3.05Å; S944-N947 VanDerWaalsContact OG-CG 3.29Å; S944-N947 PolarHBondContact OG-N 3.18Å; S944-N947 PolarHBondContact OG-OD1 3.18Å; S944-A948 PolarHBondContact O-N 3.27Å
945L78.9Confident82Confident113 Ų11374.2 Ų74.259%0.59237%0.367SS*.Hα-helixtrans-56.1-36.9174.3-169.575.3000112.3N947 A948 I949L945-N947 VanDerWaalsContact C-N 3.34Å; L945-N947 PolarHBondContact O-N 2.04Å; L945-A948 PolarHBondContact O-N 2.93Å; L945-I949 HydrophobicContact CD2-CD1 4.48Å; L945-I949 HydrophobicContact CG-CD1 4.12Å; L945-I949 WeakPolarHBondContact O-CG1 3.47Å; L945-I949 PolarHBondContact O-N 3.21Å
946K83.3Confident82.4Confident141 Ų14167.3 Ų67.361%0.61333%0.332SS*.Hα-helixtrans-59.3-46.5175.9-179.3-171.7171.9-170.60111S944 A948 I949 Q950S944-K946 PolarHBondContact O-N 3.04Å; K946-A948 VanDerWaalsContact C-N 3.34Å; K946-I949 PolarHBondContact O-N 3.21Å; K946-Q950 WeakPolarHBondContact O-CG 3.19Å; K946-Q950 PolarHBondContact O-N 2.73Å
947N85.7Confident82.8Confident30 Ų3069.4 Ų69.416%0.1634%0.341CS..Hα-helixtrans-67.2-37.2-179.9-64.75.3000111.4F936 H940 S944 L945 Q950 F951F936-N947 HydrophobicContact CE2-CB 3.91Å; F936-N947 WeakPolarHBondContact CZ-O 3.15Å; H940-N947 WeakPolarHBondContact O-CB 3.05Å; H940-N947 PolarHBondContact O-ND2 2.82Å; S944-N947 WeakPolarHBondContact O-CB 3.48Å; S944-N947 PolarHBondContact O-N 3.05Å; S944-N947 VanDerWaalsContact OG-CG 3.29Å; S944-N947 PolarHBondContact OG-N 3.18Å; S944-N947 PolarHBondContact OG-OD1 3.18Å; L945-N947 VanDerWaalsContact C-N 3.34Å; L945-N947 PolarHBondContact O-N 2.04Å; N947-Q950 PolarHBondContact O-N 3.01Å; N947-F951 WeakPolarHBondContact O-CB 3.23Å; N947-F951 PolarHBondContact O-N 3Å
948A83.8Confident83.2Confident27 Ų2767 Ų6722%0.22333%0.328CS..Hα-helixtrans-64-38.7173.700000112.5S944 L945 K946 L952S944-A948 PolarHBondContact O-N 3.27Å; L945-A948 PolarHBondContact O-N 2.93Å; K946-A948 VanDerWaalsContact C-N 3.34Å; A948-L952 WeakPolarHBondContact O-CB 3.39Å; A948-L952 PolarHBondContact O-N 3.41Å
949I84.6Confident83.7Confident90 Ų9065 Ų6546%0.46232%0.318SS..Hα-helixtrans-69.1-42.6175-67.5165.4000111.3L945 K946 F951 L952 I953L945-I949 HydrophobicContact CD2-CD1 4.48Å; L945-I949 HydrophobicContact CG-CD1 4.12Å; L945-I949 WeakPolarHBondContact O-CG1 3.47Å; L945-I949 PolarHBondContact O-N 3.21Å; K946-I949 PolarHBondContact O-N 3.21Å; I949-F951 VanDerWaalsContact C-N 3.33Å; I949-F951 PolarHBondContact O-N 2.62Å; I949-L952 PolarHBondContact O-N 3.34Å; I949-L952 VanDerWaalsContact O-N 3.16Å; I949-I953 HydrophobicContact CG2-CD1 3.94Å; I949-I953 WeakPolarHBondContact O-CG1 3.39Å; I949-I953 PolarHBondContact O-N 3.14Å
950Q86.3Confident84.1Confident29 Ų2965.3 Ų65.314%0.13631%0.311CS..Hα-helixtrans-61.4-42.6174.9-71.1-179.9-57.700111.4F933 F936 K946 N947 L952 I953 D954F933-Q950 HydrophobicContact CD2-CB 4.4Å; F933-Q950 HydrophobicContact CD2-CG 4.12Å; F933-Q950 HydrophobicContact CE2-CG 4.3Å; F933-Q950 HydrophobicContact CG-CG 4.27Å; F936-Q950 HydrophobicContact CD1-CB 4.26Å; F936-Q950 HydrophobicContact CD2-CB 4.02Å; F936-Q950 HydrophobicContact CE2-CB 4.38Å; F936-Q950 HydrophobicContact CG-CB 3.98Å; K946-Q950 WeakPolarHBondContact O-CG 3.19Å; K946-Q950 PolarHBondContact O-N 2.73Å; N947-Q950 PolarHBondContact O-N 3.01Å; Q950-L952 VanDerWaalsContact C-N 3.34Å; Q950-L952 PolarHBondContact O-N 3.14Å; Q950-I953 PolarHBondContact O-N 3.47Å; Q950-D954 PolarHBondContact O-N 2.99Å; Q950-D954 VanDerWaalsContact O-N 3.09Å
951F86.7Confident84.4Confident42 Ų4262.2 Ų62.218%0.18430%0.297CS..Hα-helixtrans-58-43.8171.5176.9-99.1000112.4F936 H938 F941 N947 I949 Y955 G956 K959F936-F951 HydrophobicContact CE1-CB 3.7Å; F936-F951 HydrophobicContact CE1-CD2 4.21Å; F936-F951 HydrophobicContact CE1-CG 4.48Å; F936-F951 HydrophobicContact CZ-CB 3.78Å; H938-F951 HydrophobicContact CB-CD2 4.4Å; H938-F951 HydrophobicContact CB-CE2 4.27Å; F941-F951 HydrophobicContact CB-CB 4.04Å; F941-F951 HydrophobicContact CB-CD2 4.4Å; F941-F951 HydrophobicContact CB-CG 4.09Å; N947-F951 WeakPolarHBondContact O-CB 3.23Å; N947-F951 PolarHBondContact O-N 3Å; I949-F951 VanDerWaalsContact C-N 3.33Å; I949-F951 PolarHBondContact O-N 2.62Å; F951-Y955 AromaticContact CD2-CD2 3.89Å; F951-Y955 HydrophobicContact CD2-CD2 3.89Å; F951-Y955 HydrophobicContact CD2-CG 4.3Å; F951-Y955 HydrophobicContact CE2-CD2 4.26Å; F951-Y955 HydrophobicContact CE2-CG 4.25Å; F951-Y955 WeakPolarHBondContact O-CA 3.48Å; F951-Y955 WeakPolarHBondContact O-CB 3.42Å; F951-Y955 PolarHBondContact O-N 2.9Å; F951-G956 PolarHBondContact O-N 3.29Å; F951-K959 HydrophobicContact CZ-CG 4.1Å
952L85.6Confident84.8Confident112 Ų11260.1 Ų60.159%0.58629%0.288SS*.Hα-helixtrans-68.6-33.5-179.6-169.3135.2000112.9A948 I949 Q950 G956A948-L952 WeakPolarHBondContact O-CB 3.39Å; A948-L952 PolarHBondContact O-N 3.41Å; I949-L952 PolarHBondContact O-N 3.34Å; I949-L952 VanDerWaalsContact O-N 3.16Å; Q950-L952 VanDerWaalsContact C-N 3.34Å; Q950-L952 PolarHBondContact O-N 3.14Å; L952-G956 WeakPolarHBondContact O-CA 3.41Å; L952-G956 PolarHBondContact O-N 3.34Å
953I84.6Confident85.5Confident87 Ų8759.7 Ų59.745%0.44629%0.285SS..Hα-helixtrans-72.2-48.7176.9-67.8167.6000111.7V932 F933 I949 Q950V932-I953 HydrophobicContact CB-CG2 4.36Å; V932-I953 HydrophobicContact CG2-CG2 4.35Å; F933-I953 HydrophobicContact CD2-CG2 4.48Å; F933-I953 HydrophobicContact CE2-CB 4.27Å; F933-I953 HydrophobicContact CE2-CD1 3.86Å; F933-I953 HydrophobicContact CE2-CG2 4.04Å; F933-I953 HydrophobicContact CZ-CD1 4.42Å; I949-I953 HydrophobicContact CG2-CD1 3.94Å; I949-I953 WeakPolarHBondContact O-CG1 3.39Å; I949-I953 PolarHBondContact O-N 3.14Å; Q950-I953 PolarHBondContact O-N 3.47Å
954D85.2Confident86Confident37 Ų3753.7 Ų53.720%0.19827%0.267CS..Hα-helixtrans-83.4-28.1-176.4-70.1-50000113.4V932 F933 Q950V932-D954 PolarHBondContact N-OD1 2.91Å; F933-D954 WeakPolarHBondContact CB-OD2 3.34Å; Q950-D954 PolarHBondContact O-N 2.99Å; Q950-D954 VanDerWaalsContact O-N 3.09Å
955Y85.3Confident86.6Confident48 Ų4852.1 Ų52.119%0.18826%0.256CS..Hα-helixtrans-124.4-1.1-174.8-58-86.2000115.3K931 F936 F951 F957 Y958 K959K931-Y955 PolarHBondContact NZ-OH 3.11Å; F936-Y955 HydrophobicContact CD1-CE2 4.19Å; F936-Y955 HydrophobicContact CE1-CD2 4.45Å; F936-Y955 HydrophobicContact CE1-CE2 4.25Å; F951-Y955 AromaticContact CD2-CD2 3.89Å; F951-Y955 HydrophobicContact CD2-CD2 3.89Å; F951-Y955 HydrophobicContact CD2-CG 4.3Å; F951-Y955 HydrophobicContact CE2-CD2 4.26Å; F951-Y955 HydrophobicContact CE2-CG 4.25Å; F951-Y955 WeakPolarHBondContact O-CA 3.48Å; F951-Y955 WeakPolarHBondContact O-CB 3.42Å; F951-Y955 PolarHBondContact O-N 2.9Å; Y955-F957 PolarHBondContact O-N 3.28Å; Y955-Y958 WeakPolarHBondContact O-CB 3.44Å; Y955-Y958 PolarHBondContact O-N 2.99Å; Y955-Y958 VanDerWaalsContact O-N 3.09Å; Y955-K959 PolarHBondContact O-N 2.98Å; Y955-K959 VanDerWaalsContact O-N 3.09Å
956G85.8Confident87.3Confident8 Ų847.5 Ų47.58%0.08223%0.231CC..Hα-helixtrans-58.3-51.3-175.600000113.6F951 L952 Y958 K959 F960F951-G956 PolarHBondContact O-N 3.29Å; L952-G956 WeakPolarHBondContact O-CA 3.41Å; L952-G956 PolarHBondContact O-N 3.34Å; G956-Y958 VanDerWaalsContact C-N 3.26Å; G956-Y958 PolarHBondContact O-N 3.43Å; G956-K959 PolarHBondContact O-N 2.84Å; G956-F960 PolarHBondContact O-N 3.28Å
957F88.2Confident87.7Confident61 Ų6142.2 Ų42.227%0.26821%0.209SC..Hα-helixtrans-67-26.1176.4-167.3-94.7000112.8Y955 G961 I964 L1076 C1079 Q1080 V1083Y955-F957 PolarHBondContact O-N 3.28Å; F957-G961 VanDerWaalsContact O-CA 3.23Å; F957-G961 WeakPolarHBondContact O-CA 3.48Å; F957-G961 PolarHBondContact O-N 2.98Å; F957-I964 HydrophobicContact CD2-CD1 4.31Å; F957-I964 HydrophobicContact CE2-CG2 4.44Å; F957-L1076 HydrophobicContact CE2-CD2 3.95Å; F957-L1076 HydrophobicContact CZ-CD2 4.45Å; F957-C1079 HydrophobicContact CD1-CB 4.46Å; F957-C1079 HydrophobicContact CE1-CB 3.61Å; F957-C1079 HydrophobicContact CZ-CB 3.87Å; F957-Q1080 HydrophobicContact CE1-CB 4.32Å; F957-Q1080 HydrophobicContact CZ-CB 4.21Å; F957-V1083 HydrophobicContact CD1-CG2 3.92Å; F957-V1083 HydrophobicContact CE1-CG2 4.09Å
958Y86.7Confident88.1Confident52 Ų5241.7 Ų41.720%0.20421%0.21CC..Hα-helixtrans-69.3-33.1175-179.2-91.4000112.7Y955 G956 V1083 N1091Y955-Y958 WeakPolarHBondContact O-CB 3.44Å; Y955-Y958 PolarHBondContact O-N 2.99Å; Y955-Y958 VanDerWaalsContact O-N 3.09Å; G956-Y958 VanDerWaalsContact C-N 3.26Å; G956-Y958 PolarHBondContact O-N 3.43Å; Y958-V1083 HydrophobicContact CD2-CG1 3.82Å; Y958-V1083 HydrophobicContact CE2-CG1 4.26Å; Y958-V1083 HydrophobicContact CG-CG1 4.43Å; Y958-N1091 PolarHBondContact O-ND2 3.06Å
959K85.8Confident88.6Confident47 Ų4740.6 Ų40.620%0.20420%0.2CC..Hα-helixtrans-89.8-35.8178.9-71.3-59.4-173.9-175.10114.3F951 Y955 G956 D1090 N1091F951-K959 HydrophobicContact CZ-CG 4.1Å; Y955-K959 PolarHBondContact O-N 2.98Å; Y955-K959 VanDerWaalsContact O-N 3.09Å; G956-K959 PolarHBondContact O-N 2.84Å; K959-D1090 PolarHBondContact NZ-O 3.37Å; K959-N1091 WeakPolarHBondContact CD-OD1 3.29Å; K959-N1091 WeakPolarHBondContact CE-OD1 3.41Å; K959-N1091 PolarHBondContact NZ-OD1 3.23Å
960F88.3Confident89Confident77 Ų7736.4 Ų36.434%0.33818%0.179SC..Hα-helixtrans-116.18.4-172.5-57.1-68.2000115G956 L962 E963 I964 F1272G956-F960 PolarHBondContact O-N 3.28Å; F960-L962 VanDerWaalsContact C-N 3.31Å; F960-L962 PolarHBondContact O-N 3.38Å; F960-E963 VanDerWaalsContact C-OE2 3.29Å; F960-E963 WeakPolarHBondContact CA-OE2 3.49Å; F960-E963 PolarHBondContact O-N 2.94Å; F960-I964 HydrophobicContact CB-CD1 4.06Å; F960-I964 HydrophobicContact CB-CG1 4.44Å; F960-I964 VanDerWaalsContact O-CG1 3.29Å; F960-I964 WeakPolarHBondContact O-CG1 3.29Å; F960-I964 PolarHBondContact O-N 3.36Å; F960-F1272 HydrophobicContact CD1-CE1 4.42Å
961G89.2Confident89.3Confident1 Ų138.9 Ų38.91%0.0119%0.192CC..Hα-helixtrans-62.5-30.7-172.500000115F957 T965F957-G961 VanDerWaalsContact O-CA 3.23Å; F957-G961 WeakPolarHBondContact O-CA 3.48Å; F957-G961 PolarHBondContact O-N 2.98Å; G961-T965 WeakPolarHBondContact O-CB 3.45Å; G961-T965 WeakPolarHBondContact O-CG2 3.39Å; G961-T965 PolarHBondContact O-N 2.89Å; G961-T965 PolarHBondContact O-OG1 3.05Å
962L89.9Confident89.5Confident13 Ų1337.1 Ų37.17%0.06818%0.184CC..Hα-helixtrans-69.6-45.6175.1176.760.1000111.2F960 T965 M966 R996 V999 W1003F960-L962 VanDerWaalsContact C-N 3.31Å; F960-L962 PolarHBondContact O-N 3.38Å; L962-T965 WeakPolarHBondContact CA-OG1 3.35Å; L962-T965 PolarHBondContact O-N 3.16Å; L962-T965 PolarHBondContact O-OG1 3.34Å; L962-M966 HydrophobicContact CD1-CG 4.44Å; L962-M966 HydrophobicContact CG-CE 4.22Å; L962-M966 WeakPolarHBondContact O-CG 3.44Å; L962-M966 PolarHBondContact O-N 3.41Å; L962-R996 HydrophobicContact CD2-CG 4.14Å; L962-V999 HydrophobicContact CD1-CG1 3.86Å; L962-W1003 HydrophobicContact CD1-CH2 4.35Å; L962-W1003 HydrophobicContact CD1-CZ3 3.98Å
963E91.1Very high89.9Confident10 Ų1031.8 Ų31.85%0.04716%0.157CC..Hα-helixtrans-63.1-43177.7-61.287.815600110.9F960 M966 I967 V1271 F1272 R1275F960-E963 VanDerWaalsContact C-OE2 3.29Å; F960-E963 WeakPolarHBondContact CA-OE2 3.49Å; F960-E963 PolarHBondContact O-N 2.94Å; E963-M966 PolarHBondContact O-N 3.21Å; E963-I967 WeakPolarHBondContact O-CG1 3.32Å; E963-I967 PolarHBondContact O-N 3.09Å; E963-I967 VanDerWaalsContact O-N 3.11Å; E963-V1271 HydrophobicContact CB-CG1 4.21Å; E963-V1271 HydrophobicContact CG-CG1 4.1Å; E963-F1272 HydrophobicContact CB-CE1 4.49Å; E963-R1275 VanDerWaalsContact OE1-CD 3.31Å; E963-R1275 WeakPolarHBondContact OE1-CD 3.25Å; E963-R1275 IonicContact OE1-CZ 3.3Å; E963-R1275 IonicContact OE1-NE 2.69Å; E963-R1275 PolarHBondContact OE1-NE 3.21Å
964I91.4Very high90.1Very high64 Ų6431.3 Ų31.333%0.32815%0.151SC..Hα-helixtrans-63.2-41.1175.1-67.6164.8000111.7F957 F960 I967 A968F957-I964 HydrophobicContact CD2-CD1 4.31Å; F957-I964 HydrophobicContact CE2-CG2 4.44Å; F960-I964 HydrophobicContact CB-CD1 4.06Å; F960-I964 HydrophobicContact CB-CG1 4.44Å; F960-I964 VanDerWaalsContact O-CG1 3.29Å; F960-I964 WeakPolarHBondContact O-CG1 3.29Å; F960-I964 PolarHBondContact O-N 3.36Å; I964-I967 PolarHBondContact O-N 2.88Å; I964-A968 WeakPolarHBondContact O-CB 3.43Å; I964-A968 PolarHBondContact O-N 3.3Å
965T92.9Very high90.3Very high5 Ų533.1 Ų33.13%0.03116%0.161CC..Hα-helixtrans-70.4-36.8179.143.40000112.7G961 L962 A968 I969 W1003 L1076 Q1080G961-T965 WeakPolarHBondContact O-CB 3.45Å; G961-T965 WeakPolarHBondContact O-CG2 3.39Å; G961-T965 PolarHBondContact O-N 2.89Å; G961-T965 PolarHBondContact O-OG1 3.05Å; L962-T965 WeakPolarHBondContact CA-OG1 3.35Å; L962-T965 PolarHBondContact O-N 3.16Å; L962-T965 PolarHBondContact O-OG1 3.34Å; T965-A968 PolarHBondContact O-N 3.16Å; T965-I969 WeakPolarHBondContact O-CG1 3.25Å; T965-I969 PolarHBondContact O-N 2.71Å; T965-W1003 HydrophobicContact CG2-CH2 4.36Å; T965-W1003 HydrophobicContact CG2-CZ2 4.04Å; T965-W1003 WeakPolarHBondContact OG1-CH2 3.44Å; T965-L1076 HydrophobicContact CG2-CB 3.8Å; T965-Q1080 HydrophobicContact CG2-CB 4.23Å
966M92.5Very high90.4Very high17 Ų1730.9 Ų30.98%0.08415%0.153CC..Hα-helixtrans-64.3-39.3172.7-69.7-174.8-6000112.2L962 E963 I969 G970 L988 F991 A992 V1271L962-M966 HydrophobicContact CD1-CG 4.44Å; L962-M966 HydrophobicContact CG-CE 4.22Å; L962-M966 WeakPolarHBondContact O-CG 3.44Å; L962-M966 PolarHBondContact O-N 3.41Å; E963-M966 PolarHBondContact O-N 3.21Å; M966-I969 PolarHBondContact O-N 3.17Å; M966-G970 PolarHBondContact O-N 3.48Å; M966-L988 HydrophobicContact CB-CD1 4.07Å; M966-L988 HydrophobicContact CG-CD1 4.49Å; M966-F991 HydrophobicContact CG-CB 4.28Å; M966-F991 HydrophobicContact SD-CB 4.01Å; M966-A992 HydrophobicContact SD-CB 4.5Å; M966-V1271 HydrophobicContact CE-CG1 3.84Å
967I92.7Very high90.5Very high29 Ų2931.1 Ų31.115%0.14915%0.151CC..Hα-helixtrans-66.3-40.1174.6-66.8166.6000110.7E963 I964 I969 G970 I971 F1272E963-I967 WeakPolarHBondContact O-CG1 3.32Å; E963-I967 PolarHBondContact O-N 3.09Å; E963-I967 VanDerWaalsContact O-N 3.11Å; I964-I967 PolarHBondContact O-N 2.88Å; I967-I969 VanDerWaalsContact C-N 3.34Å; I967-I969 PolarHBondContact O-N 2.77Å; I967-G970 PolarHBondContact O-N 2.75Å; I967-G970 VanDerWaalsContact O-N 3.16Å; I967-I971 HydrophobicContact CG2-CD1 3.96Å; I967-I971 WeakPolarHBondContact O-CG1 2.93Å; I967-I971 PolarHBondContact O-N 3.47Å; I967-F1272 HydrophobicContact CD1-CD2 4.25Å; I967-F1272 HydrophobicContact CD1-CE2 3.56Å; I967-F1272 HydrophobicContact CD1-CZ 4.22Å
968A93.1Very high90.5Very high20 Ų2028.5 Ų28.517%0.16514%0.14CC..Hα-helixtrans-61.5-39.7175.100000112.5I964 T965 I971 D972 L1076I964-A968 WeakPolarHBondContact O-CB 3.43Å; I964-A968 PolarHBondContact O-N 3.3Å; T965-A968 PolarHBondContact O-N 3.16Å; A968-I971 PolarHBondContact O-N 3.11Å; A968-D972 PolarHBondContact O-N 3.27Å; A968-L1076 HydrophobicContact CB-CD1 3.87Å
969I94.4Very high90.5Very high3 Ų327.1 Ų27.12%0.01514%0.14CC..Hα-helixtrans-63.4-42.6172.6-66.9164.5000110.8T965 M966 I967 I971 D972 I973 Q984 L988 F991 Y1006 V1073T965-I969 WeakPolarHBondContact O-CG1 3.25Å; T965-I969 PolarHBondContact O-N 2.71Å; M966-I969 PolarHBondContact O-N 3.17Å; I967-I969 VanDerWaalsContact C-N 3.34Å; I967-I969 PolarHBondContact O-N 2.77Å; I969-I971 VanDerWaalsContact C-N 3.3Å; I969-I971 PolarHBondContact O-N 3.09Å; I969-D972 PolarHBondContact O-N 3.02Å; I969-I973 HydrophobicContact CG2-CD1 3.82Å; I969-I973 HydrophobicContact CG2-CG1 4.47Å; I969-I973 WeakPolarHBondContact O-CD1 3.48Å; I969-I973 VanDerWaalsContact O-CG1 3.26Å; I969-I973 WeakPolarHBondContact O-CG1 3.17Å; I969-I973 PolarHBondContact O-N 3.39Å; I969-Q984 HydrophobicContact CG2-CB 4.24Å; I969-L988 HydrophobicContact CG2-CB 4.05Å; I969-L988 HydrophobicContact CG2-CD1 4.35Å; I969-F991 HydrophobicContact CD1-CD2 4.12Å; I969-F991 HydrophobicContact CD1-CE2 4.05Å; I969-Y1006 HydrophobicContact CD1-CE1 4.31Å; I969-V1073 HydrophobicContact CG1-CG1 4.39Å
970G92.8Very high90.7Very high2 Ų226.1 Ų26.12%0.02114%0.136CC..Hα-helixtrans-61.7-34.117500000114.1M966 I967 F974M966-G970 PolarHBondContact O-N 3.48Å; I967-G970 PolarHBondContact O-N 2.75Å; I967-G970 VanDerWaalsContact O-N 3.16Å; G970-F974 PolarHBondContact O-N 3.37Å
971I92.6Very high90.8Very high82 Ų8222.4 Ų22.442%0.42112%0.12SC..Hα-helixtrans-72.7-40.4174.8-67.7165000111.2I967 A968 I969 F974 N975 V1264I967-I971 HydrophobicContact CG2-CD1 3.96Å; I967-I971 WeakPolarHBondContact O-CG1 2.93Å; I967-I971 PolarHBondContact O-N 3.47Å; A968-I971 PolarHBondContact O-N 3.11Å; I969-I971 VanDerWaalsContact C-N 3.3Å; I969-I971 PolarHBondContact O-N 3.09Å; I971-F974 PolarHBondContact O-N 3.33Å; I971-N975 PolarHBondContact O-N 2.71Å; I971-V1264 HydrophobicContact CG1-CG1 4.47Å
972D92Very high90.9Very high4 Ų423.9 Ų23.92%0.02113%0.132CC..Hα-helixtrans-62.4-46.3176.2-172.962.4000111.5A968 I969 F974 N975 R976 V1073A968-D972 PolarHBondContact O-N 3.27Å; I969-D972 PolarHBondContact O-N 3.02Å; D972-F974 VanDerWaalsContact C-N 3.28Å; D972-F974 PolarHBondContact O-N 2.86Å; D972-N975 PolarHBondContact O-N 3.3Å; D972-N975 VanDerWaalsContact O-N 3.16Å; D972-R976 WeakPolarHBondContact O-CB 3.5Å; D972-R976 VanDerWaalsContact O-CG 3.3Å; D972-R976 WeakPolarHBondContact O-CG 3.47Å; D972-R976 PolarHBondContact O-N 2.97Å; D972-R976 VanDerWaalsContact OD2-CD 3.29Å; D972-R976 WeakPolarHBondContact OD2-CD 3.35Å; D972-V1073 HydrophobicContact CB-CG2 4.17Å
973I92.6Very high90.9Very high0 Ų027.2 Ų27.20%015%0.149CC..Hα-helixtrans-54.2-44.3173.3-69.2161.2000111.4I969 R976 M977 A981 Q984 C985 L988 I1195 V1199 I1260I969-I973 HydrophobicContact CG2-CD1 3.82Å; I969-I973 HydrophobicContact CG2-CG1 4.47Å; I969-I973 WeakPolarHBondContact O-CD1 3.48Å; I969-I973 VanDerWaalsContact O-CG1 3.26Å; I969-I973 WeakPolarHBondContact O-CG1 3.17Å; I969-I973 PolarHBondContact O-N 3.39Å; I973-R976 PolarHBondContact O-N 2.89Å; I973-M977 PolarHBondContact O-N 3.47Å; I973-A981 HydrophobicContact CB-CB 4.48Å; I973-A981 HydrophobicContact CG1-CB 4.49Å; I973-A981 HydrophobicContact CG2-CB 4.31Å; I973-Q984 HydrophobicContact CD1-CB 4Å; I973-Q984 HydrophobicContact CG1-CB 3.68Å; I973-C985 HydrophobicContact CD1-CB 4.49Å; I973-C985 VanDerWaalsContact CG2-SG 3.59Å; I973-L988 HydrophobicContact CD1-CB 4.29Å; I973-L988 HydrophobicContact CD1-CD2 3.76Å; I973-I1195 HydrophobicContact CG2-CG2 4.34Å; I973-V1199 HydrophobicContact CG2-CG2 3.9Å; I973-I1260 HydrophobicContact CG2-CD1 3.84Å
974F90.6Very high91Very high77 Ų7726.8 Ų26.834%0.33815%0.147SC..Hα-helixtrans-65.4-38.2179.3167.8-123.7000113.4G970 I971 D972 M977 I1260 V1264G970-F974 PolarHBondContact O-N 3.37Å; I971-F974 PolarHBondContact O-N 3.33Å; D972-F974 VanDerWaalsContact C-N 3.28Å; D972-F974 PolarHBondContact O-N 2.86Å; F974-M977 WeakPolarHBondContact O-CG 3.04Å; F974-I1260 HydrophobicContact CB-CD1 3.95Å; F974-I1260 HydrophobicContact CB-CG1 3.96Å; F974-I1260 HydrophobicContact CD2-CG1 3.71Å; F974-I1260 HydrophobicContact CG-CG1 4.25Å; F974-V1264 HydrophobicContact CB-CG2 4.37Å
975N88.2Confident91Very high76 Ų7623.9 Ų23.941%0.40613%0.132SC..Hα-helixtrans-73.1-36.2178-70.9-17.9000112.3I971 D972 Y1066I971-N975 PolarHBondContact O-N 2.71Å; D972-N975 PolarHBondContact O-N 3.3Å; D972-N975 VanDerWaalsContact O-N 3.16Å; N975-Y1066 WeakPolarHBondContact O-CE1 3.4Å
976R88Confident91Very high1 Ų130 Ų300%0.00416%0.159CC..Hα-helixtrans-84.3-52.8-172.5-68.1179.570.2114.733.2113.8D972 I973 D978 A981 Y1066 D1070D972-R976 WeakPolarHBondContact O-CB 3.5Å; D972-R976 VanDerWaalsContact O-CG 3.3Å; D972-R976 WeakPolarHBondContact O-CG 3.47Å; D972-R976 PolarHBondContact O-N 2.97Å; D972-R976 VanDerWaalsContact OD2-CD 3.29Å; D972-R976 WeakPolarHBondContact OD2-CD 3.35Å; I973-R976 PolarHBondContact O-N 2.89Å; R976-D978 WeakPolarHBondContact CB-OD1 3.01Å; R976-D978 IonicContact CZ-OD1 2.83Å; R976-D978 IonicContact CZ-OD2 2.78Å; R976-D978 IonicContact NE-OD1 3.68Å; R976-D978 PolarHBondContact NE-OD1 2.8Å; R976-D978 VanDerWaalsContact NE-OD1 3.08Å; R976-D978 IonicContact NE-OD2 3.19Å; R976-D978 PolarHBondContact NE-OD2 3.12Å; R976-D978 IonicContact NH2-OD1 2.79Å; R976-D978 IonicContact NH2-OD2 3.67Å; R976-D978 PolarHBondContact NH2-OD2 2.85Å; R976-D978 PolarHBondContact O-N 3.18Å; R976-A981 HydrophobicContact CB-CB 3.92Å; R976-Y1066 HydrophobicContact CG-CD1 4.15Å; R976-Y1066 HydrophobicContact CG-CG 4.37Å; R976-D1070 IonicContact CZ-OD2 3.94Å; R976-D1070 IonicContact NH1-OD1 2.73Å; R976-D1070 PolarHBondContact NH1-OD1 3.31Å; R976-D1070 IonicContact NH1-OD2 2.74Å; R976-D1070 PolarHBondContact NH1-OD2 3.35Å
977M87.5Confident91.1Very high12 Ų1231.6 Ų31.66%0.05916%0.164CC..  trans48.328.8-175.1-59.1-68.9-73.800114.7I973 F974 V1199 Q1202 I1260I973-M977 PolarHBondContact O-N 3.47Å; F974-M977 WeakPolarHBondContact O-CG 3.04Å; M977-V1199 HydrophobicContact CE-CG2 4.16Å; M977-V1199 HydrophobicContact SD-CG2 3.87Å; M977-Q1202 HydrophobicContact CE-CG 3.82Å; M977-I1260 HydrophobicContact CE-CG1 4.47Å; M977-I1260 HydrophobicContact CE-CG2 3.94Å; M977-I1260 HydrophobicContact SD-CD1 3.77Å; M977-I1260 HydrophobicContact SD-CG1 3.85Å; M977-I1260 HydrophobicContact SD-CG2 4.32Å
978D87.9Confident91.1Very high6 Ų630.4 Ų30.43%0.03216%0.158CC..SBendtrans-108.4-175.2-175.468.9-6.9000112.6R976 L980 A981 A982R976-D978 WeakPolarHBondContact CB-OD1 3.01Å; R976-D978 IonicContact CZ-OD1 2.83Å; R976-D978 IonicContact CZ-OD2 2.78Å; R976-D978 IonicContact NE-OD1 3.68Å; R976-D978 PolarHBondContact NE-OD1 2.8Å; R976-D978 VanDerWaalsContact NE-OD1 3.08Å; R976-D978 IonicContact NE-OD2 3.19Å; R976-D978 PolarHBondContact NE-OD2 3.12Å; R976-D978 IonicContact NH2-OD1 2.79Å; R976-D978 IonicContact NH2-OD2 3.67Å; R976-D978 PolarHBondContact NH2-OD2 2.85Å; R976-D978 PolarHBondContact O-N 3.18Å; D978-L980 VanDerWaalsContact C-N 3.27Å; D978-L980 PolarHBondContact O-N 3.49Å; D978-L980 PolarHBondContact OD1-N 2.87Å; D978-A981 WeakPolarHBondContact O-CB 3.01Å; D978-A981 PolarHBondContact O-N 2.96Å; D978-A981 WeakPolarHBondContact OD1-CB 3.39Å; D978-A981 PolarHBondContact OD1-N 3.04Å; D978-A982 PolarHBondContact O-N 3.41Å
979A87.9Confident91.1Very high23 Ų2331.5 Ų31.519%0.1916%0.163CC..Hα-helixtrans-62.8-32.3176.200000113A982 I983 L1052 L1053A979-A982 WeakPolarHBondContact O-CB 3.37Å; A979-A982 PolarHBondContact O-N 3.36Å; A979-I983 PolarHBondContact O-N 2.88Å; A979-I983 VanDerWaalsContact O-N 3.15Å; A979-L1052 VanDerWaalsContact CB-O 3.29Å; A979-L1052 WeakPolarHBondContact CB-O 3.43Å; A979-L1052 PolarHBondContact N-O 3.37Å; A979-L1053 HydrophobicContact CB-CD2 4.13Å
980L89.6Confident91Very high26 Ų2633 Ų3314%0.13617%0.171CC..Hα-helixtrans-70.6-35.8174.5-73172000111.1D978 A982 I983 Q984 L1013 N1054D978-L980 VanDerWaalsContact C-N 3.27Å; D978-L980 PolarHBondContact O-N 3.49Å; D978-L980 PolarHBondContact OD1-N 2.87Å; L980-A982 VanDerWaalsContact C-N 3.33Å; L980-A982 PolarHBondContact O-N 3.15Å; L980-I983 HydrophobicContact CD2-CD1 4.39Å; L980-I983 CarbonylContact O-C 3.6Å; L980-I983 WeakPolarHBondContact O-CB 3.46Å; L980-I983 PolarHBondContact O-N 3.45Å; L980-I983 VanDerWaalsContact O-N 3.15Å; L980-Q984 WeakPolarHBondContact O-CG 3.4Å; L980-Q984 PolarHBondContact O-N 2.79Å; L980-L1013 HydrophobicContact CD1-CD1 4.41Å; L980-L1013 HydrophobicContact CD2-CD1 4.21Å; L980-N1054 HydrophobicContact CD1-CB 4.17Å
981A90.5Very high91Very high0 Ų033.2 Ų33.20%017%0.171CC..Hα-helixtrans-61.5-39.5170.300000111.7I973 R976 D978 I983 Q984 C985 V1199I973-A981 HydrophobicContact CB-CB 4.48Å; I973-A981 HydrophobicContact CG1-CB 4.49Å; I973-A981 HydrophobicContact CG2-CB 4.31Å; R976-A981 HydrophobicContact CB-CB 3.92Å; D978-A981 WeakPolarHBondContact O-CB 3.01Å; D978-A981 PolarHBondContact O-N 2.96Å; D978-A981 WeakPolarHBondContact OD1-CB 3.39Å; D978-A981 PolarHBondContact OD1-N 3.04Å; A981-I983 VanDerWaalsContact C-N 3.32Å; A981-I983 PolarHBondContact O-N 3.27Å; A981-Q984 CarbonylContact O-C 3.26Å; A981-Q984 PolarHBondContact O-N 2.9Å; A981-Q984 VanDerWaalsContact O-N 3.17Å; A981-C985 PolarHBondContact O-N 2.95Å; A981-C985 PolarHBondContact O-SG 2.82Å; A981-V1199 HydrophobicContact CB-CG1 4.47Å
982A90.2Very high90.8Very high32 Ų3230.4 Ų30.426%0.26416%0.16SC..Hα-helixtrans-62.5-37.5173.200000112.4D978 A979 L980 C985 F986 V1199D978-A982 PolarHBondContact O-N 3.41Å; A979-A982 WeakPolarHBondContact O-CB 3.37Å; A979-A982 PolarHBondContact O-N 3.36Å; L980-A982 VanDerWaalsContact C-N 3.33Å; L980-A982 PolarHBondContact O-N 3.15Å; A982-C985 WeakPolarHBondContact O-CB 3.29Å; A982-C985 PolarHBondContact O-N 3.48Å; A982-F986 PolarHBondContact O-N 3.43Å; A982-V1199 HydrophobicContact CB-CG1 4.08Å
983I91.4Very high90.6Very high83 Ų8334.9 Ų34.943%0.42618%0.183SC..Hα-helixtrans-68.3-39.1172.3-65.5172.3000111A979 L980 A981 C985 F986 W987A979-I983 PolarHBondContact O-N 2.88Å; A979-I983 VanDerWaalsContact O-N 3.15Å; L980-I983 HydrophobicContact CD2-CD1 4.39Å; L980-I983 CarbonylContact O-C 3.6Å; L980-I983 WeakPolarHBondContact O-CB 3.46Å; L980-I983 PolarHBondContact O-N 3.45Å; L980-I983 VanDerWaalsContact O-N 3.15Å; A981-I983 VanDerWaalsContact C-N 3.32Å; A981-I983 PolarHBondContact O-N 3.27Å; I983-C985 VanDerWaalsContact C-N 3.34Å; I983-C985 PolarHBondContact O-N 2.84Å; I983-F986 WeakPolarHBondContact O-CB 3.32Å; I983-F986 PolarHBondContact O-N 2.7Å; I983-W987 PolarHBondContact O-N 3.14Å
984Q92Very high90.3Very high1 Ų138.4 Ų38.41%0.00520%0.202CC..Hα-helixtrans-65.7-33.5173.2-65.2-6719.200112.3I969 I973 L980 A981 F986 W987 L988 Y1006 M1010I969-Q984 HydrophobicContact CG2-CB 4.24Å; I973-Q984 HydrophobicContact CD1-CB 4Å; I973-Q984 HydrophobicContact CG1-CB 3.68Å; L980-Q984 WeakPolarHBondContact O-CG 3.4Å; L980-Q984 PolarHBondContact O-N 2.79Å; A981-Q984 CarbonylContact O-C 3.26Å; A981-Q984 PolarHBondContact O-N 2.9Å; A981-Q984 VanDerWaalsContact O-N 3.17Å; Q984-F986 VanDerWaalsContact C-N 3.3Å; Q984-F986 PolarHBondContact O-N 3.36Å; Q984-W987 PolarHBondContact O-N 3.32Å; Q984-L988 WeakPolarHBondContact O-CB 3.31Å; Q984-L988 PolarHBondContact O-N 3.34Å; Q984-Y1006 PolarHBondContact OE1-OH 3.24Å; Q984-M1010 PolarHBondContact NE2-SD 2.75Å; Q984-M1010 VanDerWaalsContact NE2-SD 3.38Å
985C92.8Very high89.8Confident2 Ų242 Ų421%0.01422%0.218CC..Hα-helixtrans-59.1-41.8171.6-69.10000111.2I973 A981 A982 I983 L988 V989I973-C985 HydrophobicContact CD1-CB 4.49Å; I973-C985 VanDerWaalsContact CG2-SG 3.59Å; A981-C985 PolarHBondContact O-N 2.95Å; A981-C985 PolarHBondContact O-SG 2.82Å; A982-C985 WeakPolarHBondContact O-CB 3.29Å; A982-C985 PolarHBondContact O-N 3.48Å; I983-C985 VanDerWaalsContact C-N 3.34Å; I983-C985 PolarHBondContact O-N 2.84Å; C985-L988 PolarHBondContact O-N 3.44Å; C985-V989 WeakPolarHBondContact O-CB 3.47Å; C985-V989 WeakPolarHBondContact O-CG2 3.36Å; C985-V989 PolarHBondContact O-N 2.9Å
986F92.5Very high89.7Confident135 Ų13540.3 Ų40.359%0.59221%0.206SC*.Hα-helixtrans-62-44.6175.8180-96.3000111.8A982 I983 Q984 V989 L990A982-F986 PolarHBondContact O-N 3.43Å; I983-F986 WeakPolarHBondContact O-CB 3.32Å; I983-F986 PolarHBondContact O-N 2.7Å; Q984-F986 VanDerWaalsContact C-N 3.3Å; Q984-F986 PolarHBondContact O-N 3.36Å; F986-V989 PolarHBondContact O-N 3Å; F986-L990 HydrophobicContact CE1-CD1 4.13Å; F986-L990 HydrophobicContact CZ-CD1 4.4Å; F986-L990 VanDerWaalsContact O-CB 3.32Å; F986-L990 WeakPolarHBondContact O-CB 3.42Å; F986-L990 PolarHBondContact O-N 2.9Å
987W93.3Very high89.5Confident50 Ų5043.4 Ų43.419%0.18922%0.224CC..Hα-helixtrans-61.2-43.4173.2-73.5117.6000112.4I983 Q984 L990 F991 I1002 Y1006I983-W987 PolarHBondContact O-N 3.14Å; Q984-W987 PolarHBondContact O-N 3.32Å; W987-L990 HydrophobicContact CE3-CD2 4.49Å; W987-L990 PolarHBondContact O-N 3.33Å; W987-F991 HydrophobicContact CB-CE2 3.97Å; W987-F991 HydrophobicContact CB-CZ 4.31Å; W987-F991 HydrophobicContact CD2-CZ 4.34Å; W987-F991 AromaticContact CE3-CE1 3.97Å; W987-F991 HydrophobicContact CE3-CE1 3.97Å; W987-F991 HydrophobicContact CE3-CE2 4.49Å; W987-F991 AromaticContact CE3-CZ 3.69Å; W987-F991 HydrophobicContact CE3-CZ 3.69Å; W987-F991 HydrophobicContact CZ3-CE1 4.47Å; W987-F991 HydrophobicContact CZ3-CZ 4.42Å; W987-F991 WeakPolarHBondContact O-CD2 3.25Å; W987-F991 WeakPolarHBondContact O-CG 3.34Å; W987-F991 PolarHBondContact O-N 3.48Å; W987-I1002 HydrophobicContact CH2-CG2 4.43Å; W987-I1002 HydrophobicContact CZ3-CG2 3.71Å; W987-Y1006 HydrophobicContact CB-CE2 4.33Å; W987-Y1006 HydrophobicContact CD2-CD2 4.08Å; W987-Y1006 HydrophobicContact CE3-CD2 4.5Å; W987-Y1006 HydrophobicContact CG-CD2 4.12Å; W987-Y1006 HydrophobicContact CG-CE2 4.11Å
988L93.7Very high89.6Confident4 Ų447.4 Ų47.42%0.02124%0.242CC..Hα-helixtrans-62.1-45.2178.4-177.262000112.1M966 I969 I973 Q984 C985 L990 F991 A992 L1192 L1267M966-L988 HydrophobicContact CB-CD1 4.07Å; M966-L988 HydrophobicContact CG-CD1 4.49Å; I969-L988 HydrophobicContact CG2-CB 4.05Å; I969-L988 HydrophobicContact CG2-CD1 4.35Å; I973-L988 HydrophobicContact CD1-CB 4.29Å; I973-L988 HydrophobicContact CD1-CD2 3.76Å; Q984-L988 WeakPolarHBondContact O-CB 3.31Å; Q984-L988 PolarHBondContact O-N 3.34Å; C985-L988 PolarHBondContact O-N 3.44Å; L988-L990 VanDerWaalsContact C-N 3.35Å; L988-F991 PolarHBondContact O-N 3.03Å; L988-A992 VanDerWaalsContact O-CB 3.24Å; L988-A992 WeakPolarHBondContact O-CB 3.48Å; L988-A992 PolarHBondContact O-N 3.14Å; L988-L1192 HydrophobicContact CD2-CD2 4.34Å; L988-L1192 HydrophobicContact CG-CD2 4.19Å; L988-L1267 HydrophobicContact CD2-CD2 3.95Å
989V92.5Very high89.7Confident43 Ų4347.2 Ų47.226%0.26124%0.24SC..Hα-helixtrans-61.1-44.1174.21720000110.7C985 F986 F991 A992 L993 L1192C985-V989 WeakPolarHBondContact O-CB 3.47Å; C985-V989 WeakPolarHBondContact O-CG2 3.36Å; C985-V989 PolarHBondContact O-N 2.9Å; F986-V989 PolarHBondContact O-N 3Å; V989-F991 VanDerWaalsContact C-N 3.34Å; V989-F991 PolarHBondContact O-N 2.82Å; V989-A992 PolarHBondContact O-N 3.45Å; V989-L993 HydrophobicContact CG1-CD1 3.74Å; V989-L993 HydrophobicContact CG1-CG 4.41Å; V989-L993 WeakPolarHBondContact O-CB 3.49Å; V989-L993 WeakPolarHBondContact O-CG 3.49Å; V989-L993 PolarHBondContact O-N 3.23Å; V989-L993 VanDerWaalsContact O-N 3.15Å; V989-L1192 HydrophobicContact CG2-CB 4.22Å
990L92.2Very high89.8Confident35 Ų3550.4 Ų50.418%0.18325%0.248CC..Hα-helixtrans-64.5-35.3178.3-172.8149.5000112.4F986 W987 L988 N994 F998 I1002F986-L990 HydrophobicContact CE1-CD1 4.13Å; F986-L990 HydrophobicContact CZ-CD1 4.4Å; F986-L990 VanDerWaalsContact O-CB 3.32Å; F986-L990 WeakPolarHBondContact O-CB 3.42Å; F986-L990 PolarHBondContact O-N 2.9Å; W987-L990 HydrophobicContact CE3-CD2 4.49Å; W987-L990 PolarHBondContact O-N 3.33Å; L988-L990 VanDerWaalsContact C-N 3.35Å; L990-N994 WeakPolarHBondContact O-CB 3.48Å; L990-N994 PolarHBondContact O-ND2 3.22Å; L990-F998 HydrophobicContact CD2-CE1 4.18Å; L990-I1002 HydrophobicContact CD2-CD1 4.09Å; L990-I1002 HydrophobicContact CD2-CG2 4.42Å
991F92.2Very high89.7Confident5 Ų558.3 Ų58.32%0.02228%0.276CS..Hα-helixtrans-78.5-40.3176.7-59.5-31000112.9M966 I969 W987 L988 V989 V999 I1002 W1003 Y1006M966-F991 HydrophobicContact CG-CB 4.28Å; M966-F991 HydrophobicContact SD-CB 4.01Å; I969-F991 HydrophobicContact CD1-CD2 4.12Å; I969-F991 HydrophobicContact CD1-CE2 4.05Å; W987-F991 HydrophobicContact CB-CE2 3.97Å; W987-F991 HydrophobicContact CB-CZ 4.31Å; W987-F991 HydrophobicContact CD2-CZ 4.34Å; W987-F991 AromaticContact CE3-CE1 3.97Å; W987-F991 HydrophobicContact CE3-CE1 3.97Å; W987-F991 HydrophobicContact CE3-CE2 4.49Å; W987-F991 AromaticContact CE3-CZ 3.69Å; W987-F991 HydrophobicContact CE3-CZ 3.69Å; W987-F991 HydrophobicContact CZ3-CE1 4.47Å; W987-F991 HydrophobicContact CZ3-CZ 4.42Å; W987-F991 WeakPolarHBondContact O-CD2 3.25Å; W987-F991 WeakPolarHBondContact O-CG 3.34Å; W987-F991 PolarHBondContact O-N 3.48Å; L988-F991 PolarHBondContact O-N 3.03Å; V989-F991 VanDerWaalsContact C-N 3.34Å; V989-F991 PolarHBondContact O-N 2.82Å; F991-V999 HydrophobicContact CD1-CG1 3.8Å; F991-V999 HydrophobicContact CD1-CG2 4.35Å; F991-V999 HydrophobicContact CE1-CG1 4.36Å; F991-V999 HydrophobicContact CG-CG1 4.3Å; F991-I1002 HydrophobicContact CE1-CG2 4.24Å; F991-W1003 HydrophobicContact CD2-CZ3 4.01Å; F991-W1003 HydrophobicContact CE1-CE3 4.36Å; F991-W1003 HydrophobicContact CE1-CZ3 4.42Å; F991-W1003 HydrophobicContact CE2-CE3 4.43Å; F991-W1003 AromaticContact CE2-CZ3 3.83Å; F991-W1003 HydrophobicContact CE2-CZ3 3.83Å; F991-W1003 HydrophobicContact CG-CZ3 4.39Å; F991-W1003 HydrophobicContact CZ-CE3 4.2Å; F991-W1003 HydrophobicContact CZ-CZ3 4.06Å; F991-Y1006 HydrophobicContact CE2-CD2 4.1Å; F991-Y1006 HydrophobicContact CE2-CE2 4.28Å; F991-Y1006 HydrophobicContact CE2-CG 4.29Å; F991-Y1006 AromaticContact CZ-CD2 3.94Å; F991-Y1006 HydrophobicContact CZ-CD2 3.94Å; F991-Y1006 AromaticContact CZ-CG 4Å; F991-Y1006 HydrophobicContact CZ-CG 4Å
992A90.1Very high89.8Confident23 Ų2359.9 Ų59.919%0.1928%0.284CS..Hα-helixtrans-75.6-31.5-173.800000114.2M966 L988 V989 L1192M966-A992 HydrophobicContact SD-CB 4.5Å; L988-A992 VanDerWaalsContact O-CB 3.24Å; L988-A992 WeakPolarHBondContact O-CB 3.48Å; L988-A992 PolarHBondContact O-N 3.14Å; V989-A992 PolarHBondContact O-N 3.45Å; A992-L1192 HydrophobicContact CB-CD1 3.81Å; A992-L1192 HydrophobicContact CB-CD2 4.45Å
993L87.7Confident89.9Confident98 Ų9858.4 Ų58.451%0.51327%0.271SS..SBendtrans-89.1-12.3-178.5-61.9-178.5000114.2V989 L1192V989-L993 HydrophobicContact CG1-CD1 3.74Å; V989-L993 HydrophobicContact CG1-CG 4.41Å; V989-L993 WeakPolarHBondContact O-CB 3.49Å; V989-L993 WeakPolarHBondContact O-CG 3.49Å; V989-L993 PolarHBondContact O-N 3.23Å; V989-L993 VanDerWaalsContact O-N 3.15Å; L993-L1192 HydrophobicContact CD2-CD1 3.99Å; L993-L1192 HydrophobicContact CG-CD1 4.19Å
994N85.7Confident89.9Confident75 Ų7557.2 Ų57.240%0.40127%0.268SS..SBendtrans-105.8158.6-173.6-76.5-57.8000114.1L990 F998 V999L990-N994 WeakPolarHBondContact O-CB 3.48Å; L990-N994 PolarHBondContact O-ND2 3.22Å; N994-F998 HydrophobicContact CB-CD1 3.69Å; N994-F998 HydrophobicContact CB-CE1 4.3Å; N994-F998 HydrophobicContact CB-CG 4.49Å; N994-V999 HydrophobicContact CB-CG2 4.5Å
995K81.1Confident89.9Confident153 Ų15363.7 Ų63.767%0.66530%0.296SS*.  trans-69143.5177.5-62.6-173.4178.6-172.70111.8V997 F998 V999K995-V997 PolarHBondContact O-N 2.76Å; K995-F998 WeakPolarHBondContact O-CB 3.41Å; K995-F998 PolarHBondContact O-N 3.47Å; K995-V999 PolarHBondContact O-N 3.09Å
996R85.1Confident89.9Confident40 Ų4063.7 Ų63.715%0.15130%0.296CS..Hα-helixtrans-46.5-39.3-179.7-172.4179.1-176.7114.9-4.9114.5L962 F998 V999 R1000 E1087 N1091L962-R996 HydrophobicContact CD2-CG 4.14Å; R996-F998 VanDerWaalsContact C-N 3.31Å; R996-F998 PolarHBondContact O-N 2.83Å; R996-V999 PolarHBondContact O-N 2.85Å; R996-R1000 PolarHBondContact O-N 2.95Å; R996-E1087 IonicContact CZ-OE1 3.77Å; R996-E1087 IonicContact NE-OE1 2.72Å; R996-E1087 PolarHBondContact NE-OE1 2.75Å; R996-E1087 IonicContact NH2-OE1 2.97Å; R996-E1087 PolarHBondContact NH2-OE1 3.39Å; R996-N1091 PolarHBondContact NH2-ND2 3.26Å
997V84.1Confident89.9Confident66 Ų6657.8 Ų57.840%0.427%0.271SS..Hα-helixtrans-62.3-35.6179.3-178.80000112.6K995K995-V997 PolarHBondContact O-N 2.76Å
998F88.9Confident89.8Confident96 Ų9659.6 Ų59.642%0.42128%0.283SS..Hα-helixtrans-71.8-48.1176.6-178.4-104000110.6L990 N994 K995 R996 R1000 R1001 I1002L990-F998 HydrophobicContact CD2-CE1 4.18Å; N994-F998 HydrophobicContact CB-CD1 3.69Å; N994-F998 HydrophobicContact CB-CE1 4.3Å; N994-F998 HydrophobicContact CB-CG 4.49Å; K995-F998 WeakPolarHBondContact O-CB 3.41Å; K995-F998 PolarHBondContact O-N 3.47Å; R996-F998 VanDerWaalsContact C-N 3.31Å; R996-F998 PolarHBondContact O-N 2.83Å; F998-R1000 VanDerWaalsContact C-N 3.3Å; F998-R1000 PolarHBondContact O-N 3.23Å; F998-R1001 PolarHBondContact O-N 3.05Å; F998-R1001 VanDerWaalsContact O-N 3.08Å; F998-I1002 HydrophobicContact CD1-CD1 3.95Å; F998-I1002 HydrophobicContact CE1-CD1 3.38Å; F998-I1002 HydrophobicContact CE2-CD1 4.01Å; F998-I1002 HydrophobicContact CZ-CD1 3.41Å; F998-I1002 VanDerWaalsContact CZ-CD1 3.41Å; F998-I1002 PolarHBondContact O-N 3.39Å
999V90Very high89.8Confident1 Ų162.2 Ų62.21%0.00629%0.293CS..Hα-helixtrans-56-43.8177.1-178.50000111.4L962 F991 N994 K995 R996 R1001 I1002 W1003L962-V999 HydrophobicContact CD1-CG1 3.86Å; F991-V999 HydrophobicContact CD1-CG1 3.8Å; F991-V999 HydrophobicContact CD1-CG2 4.35Å; F991-V999 HydrophobicContact CE1-CG1 4.36Å; F991-V999 HydrophobicContact CG-CG1 4.3Å; N994-V999 HydrophobicContact CB-CG2 4.5Å; K995-V999 PolarHBondContact O-N 3.09Å; R996-V999 PolarHBondContact O-N 2.85Å; V999-R1001 VanDerWaalsContact C-N 3.26Å; V999-R1001 PolarHBondContact O-N 3.34Å; V999-I1002 PolarHBondContact O-N 2.97Å; V999-I1002 VanDerWaalsContact O-N 3.14Å; V999-W1003 HydrophobicContact CG1-CE3 3.83Å; V999-W1003 HydrophobicContact CG1-CZ3 4.15Å; V999-W1003 PolarHBondContact O-N 3.01Å
1000R89.5Confident89.8Confident91 Ų9160.2 Ų60.234%0.34328%0.281SS..Hα-helixtrans-56.5-34.7177.5-177.8171.268.4-173.92.9113.8R996 F998 F1084 E1087R996-R1000 PolarHBondContact O-N 2.95Å; F998-R1000 VanDerWaalsContact C-N 3.3Å; F998-R1000 PolarHBondContact O-N 3.23Å; R1000-F1084 HydrophobicContact CB-CD1 4.14Å; R1000-F1084 HydrophobicContact CB-CE1 4.08Å; R1000-F1084 HydrophobicContact CB-CZ 4.38Å; R1000-F1084 HydrophobicContact CG-CB 4.13Å; R1000-F1084 HydrophobicContact CG-CD1 3.74Å; R1000-F1084 HydrophobicContact CG-CD2 4.5Å; R1000-F1084 HydrophobicContact CG-CE1 4.2Å; R1000-F1084 HydrophobicContact CG-CG 3.91Å; R1000-E1087 IonicContact NH1-OE2 3.21Å; R1000-E1087 PolarHBondContact NH1-OE2 3.47Å
1001R89.1Confident89.7Confident192 Ų19259.5 Ų59.573%0.72528%0.28SS*.Hα-helixtrans-75-38.1178.1-68.2-179.2-180172.20.9112F998 V999F998-R1001 PolarHBondContact O-N 3.05Å; F998-R1001 VanDerWaalsContact O-N 3.08Å; V999-R1001 VanDerWaalsContact C-N 3.26Å; V999-R1001 PolarHBondContact O-N 3.34Å
1002I91.7Very high89.7Confident33 Ų3363.8 Ų63.817%0.16930%0.303CS..Hα-helixtrans-79.3-25.8-177-68.6178.7000112.2W987 L990 F991 F998 V999 V1004 F1005 Y1006W987-I1002 HydrophobicContact CH2-CG2 4.43Å; W987-I1002 HydrophobicContact CZ3-CG2 3.71Å; L990-I1002 HydrophobicContact CD2-CD1 4.09Å; L990-I1002 HydrophobicContact CD2-CG2 4.42Å; F991-I1002 HydrophobicContact CE1-CG2 4.24Å; F998-I1002 HydrophobicContact CD1-CD1 3.95Å; F998-I1002 HydrophobicContact CE1-CD1 3.38Å; F998-I1002 HydrophobicContact CE2-CD1 4.01Å; F998-I1002 HydrophobicContact CZ-CD1 3.41Å; F998-I1002 VanDerWaalsContact CZ-CD1 3.41Å; F998-I1002 PolarHBondContact O-N 3.39Å; V999-I1002 PolarHBondContact O-N 2.97Å; V999-I1002 VanDerWaalsContact O-N 3.14Å; I1002-V1004 PolarHBondContact O-N 3.44Å; I1002-F1005 WeakPolarHBondContact O-CB 3.49Å; I1002-F1005 PolarHBondContact O-N 3.27Å; I1002-Y1006 PolarHBondContact O-N 3.19Å
1003W92.8Very high89.8Confident1 Ų163.8 Ų63.80%0.00430%0.299CS..Hα-helixtrans-54.3-30.5-174.5-157.3-97.2000115.6L962 T965 F991 V999 F1005 Y1006 V1007 A1077 Q1080 F1084L962-W1003 HydrophobicContact CD1-CH2 4.35Å; L962-W1003 HydrophobicContact CD1-CZ3 3.98Å; T965-W1003 HydrophobicContact CG2-CH2 4.36Å; T965-W1003 HydrophobicContact CG2-CZ2 4.04Å; T965-W1003 WeakPolarHBondContact OG1-CH2 3.44Å; F991-W1003 HydrophobicContact CD2-CZ3 4.01Å; F991-W1003 HydrophobicContact CE1-CE3 4.36Å; F991-W1003 HydrophobicContact CE1-CZ3 4.42Å; F991-W1003 HydrophobicContact CE2-CE3 4.43Å; F991-W1003 AromaticContact CE2-CZ3 3.83Å; F991-W1003 HydrophobicContact CE2-CZ3 3.83Å; F991-W1003 HydrophobicContact CG-CZ3 4.39Å; F991-W1003 HydrophobicContact CZ-CE3 4.2Å; F991-W1003 HydrophobicContact CZ-CZ3 4.06Å; V999-W1003 HydrophobicContact CG1-CE3 3.83Å; V999-W1003 HydrophobicContact CG1-CZ3 4.15Å; V999-W1003 PolarHBondContact O-N 3.01Å; W1003-F1005 VanDerWaalsContact C-N 3.33Å; W1003-F1005 PolarHBondContact O-N 2.83Å; W1003-Y1006 HydrophobicContact CZ2-CD1 4.5Å; W1003-Y1006 PolarHBondContact O-N 3.45Å; W1003-V1007 PolarHBondContact O-N 2.92Å; W1003-A1077 HydrophobicContact CZ2-CB 4.03Å; W1003-A1077 PolarHBondContact NE1-O 3.47Å; W1003-Q1080 HydrophobicContact CZ2-CB 4.08Å; W1003-Q1080 HydrophobicContact CZ2-CG 3.9Å; W1003-F1084 HydrophobicContact CB-CD2 4.07Å; W1003-F1084 HydrophobicContact CB-CE2 3.92Å; W1003-F1084 AromaticContact CD1-CD2 3.86Å; W1003-F1084 AromaticContact CD1-CE2 3.97Å; W1003-F1084 HydrophobicContact CD2-CD2 4.44Å; W1003-F1084 AromaticContact CD2-CE2 3.78Å; W1003-F1084 HydrophobicContact CD2-CE2 3.78Å; W1003-F1084 HydrophobicContact CE3-CE2 4.27Å; W1003-F1084 AromaticContact CG-CD2 3.84Å; W1003-F1084 HydrophobicContact CG-CD2 3.84Å; W1003-F1084 AromaticContact CG-CE2 3.59Å; W1003-F1084 HydrophobicContact CG-CE2 3.59Å
1004V90.5Very high90Very high57 Ų5759.2 Ų59.235%0.34528%0.275SS..Hα-helixtrans-63.3-41.3177.9-173.80000111I1002 Y1006 V1007 I1008 L1081I1002-V1004 PolarHBondContact O-N 3.44Å; V1004-Y1006 VanDerWaalsContact C-N 3.34Å; V1004-V1007 PolarHBondContact O-N 3.13Å; V1004-I1008 HydrophobicContact CG1-CD1 4.11Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.14Å; V1004-I1008 PolarHBondContact O-N 3.18Å; V1004-I1008 VanDerWaalsContact O-N 3.12Å; V1004-L1081 HydrophobicContact CG2-CD1 3.95Å
1005F92.9Very high90.3Very high138 Ų13856.5 Ų56.561%0.60526%0.262SS*.Hα-helixtrans-66.9-36.9177.2-57.2-68.8000111.5I1002 W1003 I1008 Y1009I1002-F1005 WeakPolarHBondContact O-CB 3.49Å; I1002-F1005 PolarHBondContact O-N 3.27Å; W1003-F1005 VanDerWaalsContact C-N 3.33Å; W1003-F1005 PolarHBondContact O-N 2.83Å; F1005-I1008 PolarHBondContact O-N 3.36Å; F1005-Y1009 VanDerWaalsContact O-CB 3.31Å; F1005-Y1009 WeakPolarHBondContact O-CB 3.4Å; F1005-Y1009 PolarHBondContact O-N 3.22Å
1006Y92.9Very high90.7Very high1 Ų153.9 Ų53.90%0.00425%0.254CS..Hα-helixtrans-64.2-41.3175.6-175.2-100.6000112.7I969 Q984 W987 F991 I1002 W1003 V1004 Y1009 M1010 V1073 A1077I969-Y1006 HydrophobicContact CD1-CE1 4.31Å; Q984-Y1006 PolarHBondContact OE1-OH 3.24Å; W987-Y1006 HydrophobicContact CB-CE2 4.33Å; W987-Y1006 HydrophobicContact CD2-CD2 4.08Å; W987-Y1006 HydrophobicContact CE3-CD2 4.5Å; W987-Y1006 HydrophobicContact CG-CD2 4.12Å; W987-Y1006 HydrophobicContact CG-CE2 4.11Å; F991-Y1006 HydrophobicContact CE2-CD2 4.1Å; F991-Y1006 HydrophobicContact CE2-CE2 4.28Å; F991-Y1006 HydrophobicContact CE2-CG 4.29Å; F991-Y1006 AromaticContact CZ-CD2 3.94Å; F991-Y1006 HydrophobicContact CZ-CD2 3.94Å; F991-Y1006 AromaticContact CZ-CG 4Å; F991-Y1006 HydrophobicContact CZ-CG 4Å; I1002-Y1006 PolarHBondContact O-N 3.19Å; W1003-Y1006 HydrophobicContact CZ2-CD1 4.5Å; W1003-Y1006 PolarHBondContact O-N 3.45Å; V1004-Y1006 VanDerWaalsContact C-N 3.34Å; Y1006-Y1009 HydrophobicContact CD2-CD1 4.28Å; Y1006-Y1009 HydrophobicContact CE2-CD1 4.29Å; Y1006-Y1009 WeakPolarHBondContact O-CB 3.34Å; Y1006-Y1009 PolarHBondContact O-N 3.29Å; Y1006-M1010 HydrophobicContact CD1-CG 4.42Å; Y1006-M1010 HydrophobicContact CE1-CG 3.91Å; Y1006-M1010 HydrophobicContact CE2-CG 4.36Å; Y1006-M1010 WeakPolarHBondContact O-CG 3.31Å; Y1006-M1010 PolarHBondContact O-N 3.43Å; Y1006-V1073 HydrophobicContact CE1-CG1 4.13Å; Y1006-V1073 WeakPolarHBondContact OH-CG1 3.23Å; Y1006-A1077 HydrophobicContact CD1-CB 4.1Å; Y1006-A1077 HydrophobicContact CE1-CB 4.01Å
1007V92.6Very high91Very high11 Ų1152.1 Ų52.17%0.06725%0.248CC..Hα-helixtrans-66.3-40175.5175.30000111.7W1003 V1004 M1010 A1011 A1077 L1081W1003-V1007 PolarHBondContact O-N 2.92Å; V1004-V1007 PolarHBondContact O-N 3.13Å; V1007-M1010 PolarHBondContact O-N 3.49Å; V1007-A1011 VanDerWaalsContact O-CB 3.24Å; V1007-A1011 WeakPolarHBondContact O-CB 3.35Å; V1007-A1011 PolarHBondContact O-N 3.48Å; V1007-A1077 HydrophobicContact CG2-CB 3.87Å; V1007-A1077 WeakPolarHBondContact CG2-O 3.41Å; V1007-L1081 HydrophobicContact CB-CD2 4.24Å; V1007-L1081 HydrophobicContact CG1-CD2 4.12Å; V1007-L1081 HydrophobicContact CG2-CB 4.18Å; V1007-L1081 HydrophobicContact CG2-CD2 4.18Å
1008I91.5Very high91.4Very high89 Ų8949 Ų4946%0.45623%0.229SC..Hα-helixtrans-65.2-43.2175.7-67.8167.7000110.7V1004 F1005 A1011 I1012V1004-I1008 HydrophobicContact CG1-CD1 4.11Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.14Å; V1004-I1008 PolarHBondContact O-N 3.18Å; V1004-I1008 VanDerWaalsContact O-N 3.12Å; F1005-I1008 PolarHBondContact O-N 3.36Å; I1008-A1011 PolarHBondContact O-N 3Å; I1008-I1012 HydrophobicContact CG2-CD1 3.74Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.26Å; I1008-I1012 PolarHBondContact O-N 3.07Å
1009Y92.6Very high91.4Very high59 Ų5948.7 Ų48.723%0.23123%0.228CC..Hα-helixtrans-54.3-54.6173.7165.8-105000111.2F1005 Y1006 A1011 I1012 L1013F1005-Y1009 VanDerWaalsContact O-CB 3.31Å; F1005-Y1009 WeakPolarHBondContact O-CB 3.4Å; F1005-Y1009 PolarHBondContact O-N 3.22Å; Y1006-Y1009 HydrophobicContact CD2-CD1 4.28Å; Y1006-Y1009 HydrophobicContact CE2-CD1 4.29Å; Y1006-Y1009 WeakPolarHBondContact O-CB 3.34Å; Y1006-Y1009 PolarHBondContact O-N 3.29Å; Y1009-A1011 VanDerWaalsContact C-N 3.35Å; Y1009-A1011 PolarHBondContact O-N 3.13Å; Y1009-I1012 PolarHBondContact O-N 3.11Å; Y1009-L1013 HydrophobicContact CE1-CD2 4.09Å; Y1009-L1013 VanDerWaalsContact O-CB 3.24Å; Y1009-L1013 WeakPolarHBondContact O-CB 3.35Å; Y1009-L1013 PolarHBondContact O-N 3.49Å
1010M92.5Very high91.2Very high0 Ų050.8 Ų50.80%024%0.242CC..Hα-helixtrans-64.2-36178.8-67.3-56.9-58.300113.3Q984 Y1006 V1007 I1012 L1013 Y1014 D1070 V1073 L1074Q984-M1010 PolarHBondContact NE2-SD 2.75Å; Q984-M1010 VanDerWaalsContact NE2-SD 3.38Å; Y1006-M1010 HydrophobicContact CD1-CG 4.42Å; Y1006-M1010 HydrophobicContact CE1-CG 3.91Å; Y1006-M1010 HydrophobicContact CE2-CG 4.36Å; Y1006-M1010 WeakPolarHBondContact O-CG 3.31Å; Y1006-M1010 PolarHBondContact O-N 3.43Å; V1007-M1010 PolarHBondContact O-N 3.49Å; M1010-I1012 VanDerWaalsContact C-N 3.29Å; M1010-I1012 PolarHBondContact O-N 3.43Å; M1010-L1013 HydrophobicContact CE-CD2 4.3Å; M1010-L1013 PolarHBondContact O-N 3.38Å; M1010-L1013 HydrophobicContact SD-CD2 4.06Å; M1010-Y1014 WeakPolarHBondContact O-CB 3.41Å; M1010-Y1014 PolarHBondContact O-N 2.9Å; M1010-Y1014 VanDerWaalsContact O-N 3.08Å; M1010-D1070 HydrophobicContact CE-CB 4.04Å; M1010-V1073 HydrophobicContact CE-CB 4.13Å; M1010-V1073 HydrophobicContact CE-CG1 3.9Å; M1010-V1073 HydrophobicContact CG-CG1 4.32Å; M1010-V1073 HydrophobicContact SD-CG1 4.26Å; M1010-L1074 HydrophobicContact CB-CB 4.26Å; M1010-L1074 HydrophobicContact CB-CD1 3.92Å
1011A90.6Very high91.2Very high20 Ų2047.2 Ų47.217%0.16523%0.229CC..Hα-helixtrans-69.6-25.3179.600000113.4V1007 I1008 Y1009 P1015 L1074V1007-A1011 VanDerWaalsContact O-CB 3.24Å; V1007-A1011 WeakPolarHBondContact O-CB 3.35Å; V1007-A1011 PolarHBondContact O-N 3.48Å; I1008-A1011 PolarHBondContact O-N 3Å; Y1009-A1011 VanDerWaalsContact C-N 3.35Å; Y1009-A1011 PolarHBondContact O-N 3.13Å; A1011-P1015 WeakPolarHBondContact O-CD 3.28Å; A1011-P1015 WeakPolarHBondContact O-CG 3.49Å; A1011-L1074 HydrophobicContact CB-CD1 4.01Å
1012I92.4Very high91.1Very high96 Ų9638.9 Ų38.949%0.49220%0.199SC..Hα-helixtrans-90.1-38.9174.1-66.1170.8000110.7I1008 Y1009 M1010 P1015 L1016I1008-I1012 HydrophobicContact CG2-CD1 3.74Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.26Å; I1008-I1012 PolarHBondContact O-N 3.07Å; Y1009-I1012 PolarHBondContact O-N 3.11Å; M1010-I1012 VanDerWaalsContact C-N 3.29Å; M1010-I1012 PolarHBondContact O-N 3.43Å; I1012-P1015 WeakPolarHBondContact O-CD 3.21Å; I1012-L1016 HydrophobicContact CG2-CD1 3.65Å; I1012-L1016 HydrophobicContact CG2-CG 4.25Å; I1012-L1016 WeakPolarHBondContact O-CB 3.48Å; I1012-L1016 WeakPolarHBondContact O-CG 3.25Å; I1012-L1016 PolarHBondContact O-N 3.08Å
1013L91.5Very high90.7Very high23 Ų2338.3 Ų38.312%0.1220%0.202CC..Hα-helixtrans-59.9-46.8178.8-17668.6000111.7L980 Y1009 M1010 L1016 Q1017L980-L1013 HydrophobicContact CD1-CD1 4.41Å; L980-L1013 HydrophobicContact CD2-CD1 4.21Å; Y1009-L1013 HydrophobicContact CE1-CD2 4.09Å; Y1009-L1013 VanDerWaalsContact O-CB 3.24Å; Y1009-L1013 WeakPolarHBondContact O-CB 3.35Å; Y1009-L1013 PolarHBondContact O-N 3.49Å; M1010-L1013 HydrophobicContact CE-CD2 4.3Å; M1010-L1013 PolarHBondContact O-N 3.38Å; M1010-L1013 HydrophobicContact SD-CD2 4.06Å; L1013-L1016 PolarHBondContact O-N 3.34Å; L1013-L1016 VanDerWaalsContact O-N 3.13Å; L1013-Q1017 VanDerWaalsContact O-CB 3.27Å; L1013-Q1017 WeakPolarHBondContact O-CB 3.5Å; L1013-Q1017 PolarHBondContact O-N 3.16Å
1014Y91.7Very high90.2Very high2 Ų242.1 Ų42.11%0.00822%0.221CC..Hα-helixtrans-60.2-47.5-175.1177-101000113.5V814 M1010 F1018 L1067 D1070 F1071V814-Y1014 HydrophobicContact CG1-CD1 4.21Å; V814-Y1014 HydrophobicContact CG1-CE1 3.93Å; M1010-Y1014 WeakPolarHBondContact O-CB 3.41Å; M1010-Y1014 PolarHBondContact O-N 2.9Å; M1010-Y1014 VanDerWaalsContact O-N 3.08Å; Y1014-F1018 PolarHBondContact O-N 2.9Å; Y1014-F1018 VanDerWaalsContact O-N 3.16Å; Y1014-L1067 HydrophobicContact CD2-CD2 4.12Å; Y1014-L1067 HydrophobicContact CE2-CB 4.31Å; Y1014-L1067 HydrophobicContact CE2-CD2 4Å; Y1014-L1067 WeakPolarHBondContact CE2-O 3.13Å; Y1014-D1070 HydrophobicContact CD2-CB 4.36Å; Y1014-F1071 HydrophobicContact CD2-CB 4.38Å; Y1014-F1071 HydrophobicContact CE1-CD2 4.35Å; Y1014-F1071 HydrophobicContact CE2-CB 3.84Å; Y1014-F1071 HydrophobicContact CE2-CD2 4.4Å
1015P91.4Very high89.5Confident18 Ų1841 Ų4112%0.11722%0.216CC..Hα-helixtrans-62.3-43.4168.9-24.734.9000114V814 A1011 I1012 Q1017 F1018 F1019V814-P1015 HydrophobicContact CG1-CB 4.39Å; V814-P1015 HydrophobicContact CG1-CG 4.43Å; A1011-P1015 WeakPolarHBondContact O-CD 3.28Å; A1011-P1015 WeakPolarHBondContact O-CG 3.49Å; I1012-P1015 WeakPolarHBondContact O-CD 3.21Å; P1015-Q1017 VanDerWaalsContact C-N 3.32Å; P1015-Q1017 PolarHBondContact O-N 3.04Å; P1015-F1018 PolarHBondContact O-N 3.3Å; P1015-F1019 HydrophobicContact CB-CD2 4.48Å; P1015-F1019 HydrophobicContact CB-CE2 4.19Å; P1015-F1019 WeakPolarHBondContact O-CD2 3.29Å; P1015-F1019 WeakPolarHBondContact O-CG 3.39Å; P1015-F1019 PolarHBondContact O-N 3.25Å
1016L90.8Very high88.5Confident97 Ų9735.2 Ų35.251%0.50819%0.192SC..Hα-helixtrans-62.6-37.6-179.7-76.4178.2000113I1012 L1013 F1019 S1020I1012-L1016 HydrophobicContact CG2-CD1 3.65Å; I1012-L1016 HydrophobicContact CG2-CG 4.25Å; I1012-L1016 WeakPolarHBondContact O-CB 3.48Å; I1012-L1016 WeakPolarHBondContact O-CG 3.25Å; I1012-L1016 PolarHBondContact O-N 3.08Å; L1013-L1016 PolarHBondContact O-N 3.34Å; L1013-L1016 VanDerWaalsContact O-N 3.13Å; L1016-F1019 PolarHBondContact O-N 3.42Å; L1016-S1020 WeakPolarHBondContact O-CB 3.21Å; L1016-S1020 PolarHBondContact O-N 3.35Å; L1016-S1020 PolarHBondContact O-OG 3.45Å
1017Q91.2Very high87.3Confident3 Ų338.8 Ų38.81%0.01421%0.211CC..Hα-helixtrans-67.5-43.8175.4-172.5-179.27.900110.8L1013 P1015 F1019 S1020 Y1021 L1067 D1070L1013-Q1017 VanDerWaalsContact O-CB 3.27Å; L1013-Q1017 WeakPolarHBondContact O-CB 3.5Å; L1013-Q1017 PolarHBondContact O-N 3.16Å; P1015-Q1017 VanDerWaalsContact C-N 3.32Å; P1015-Q1017 PolarHBondContact O-N 3.04Å; Q1017-F1019 PolarHBondContact O-N 2.91Å; Q1017-S1020 WeakPolarHBondContact O-CB 3.24Å; Q1017-S1020 PolarHBondContact O-N 3.18Å; Q1017-Y1021 HydrophobicContact CG-CD1 4.43Å; Q1017-Y1021 HydrophobicContact CG-CE1 3.82Å; Q1017-Y1021 HydrophobicContact CG-CE2 4.13Å; Q1017-Y1021 PolarHBondContact NE2-OH 3.3Å; Q1017-Y1021 VanDerWaalsContact O-CD1 3.32Å; Q1017-Y1021 WeakPolarHBondContact O-CD1 3.33Å; Q1017-Y1021 PolarHBondContact O-N 3.4Å; Q1017-L1067 HydrophobicContact CB-CD2 4.25Å; Q1017-L1067 HydrophobicContact CG-CD2 3.94Å; Q1017-D1070 VanDerWaalsContact CD-OD2 3.29Å; Q1017-D1070 PolarHBondContact NE2-OD2 3.28Å; Q1017-D1070 PolarHBondContact OE1-OD2 2.98Å
1018F91.3Very high86.2Confident2 Ų240.8 Ų40.81%0.00923%0.225CC..Hα-helixtrans-61.4-41.8173.3-169.6-93.5000112.2I802 I806 I811 V814 Y1014 P1015 S1020 Y1021 V1022 L1067I802-F1018 HydrophobicContact CG2-CD2 4.12Å; I802-F1018 HydrophobicContact CG2-CE2 3.38Å; I802-F1018 HydrophobicContact CG2-CZ 3.65Å; I806-F1018 HydrophobicContact CB-CE2 4.45Å; I806-F1018 HydrophobicContact CG1-CE2 4.4Å; I806-F1018 HydrophobicContact CG2-CE2 4.14Å; I806-F1018 HydrophobicContact CG2-CZ 4.37Å; I811-F1018 HydrophobicContact CG1-CD1 4.37Å; I811-F1018 HydrophobicContact CG1-CE1 4.02Å; V814-F1018 HydrophobicContact CG1-CB 4.42Å; V814-F1018 HydrophobicContact CG2-CD1 3.78Å; V814-F1018 HydrophobicContact CG2-CD2 4.14Å; V814-F1018 HydrophobicContact CG2-CE1 3.91Å; V814-F1018 HydrophobicContact CG2-CE2 4.28Å; V814-F1018 HydrophobicContact CG2-CG 3.9Å; V814-F1018 HydrophobicContact CG2-CZ 4.16Å; Y1014-F1018 PolarHBondContact O-N 2.9Å; Y1014-F1018 VanDerWaalsContact O-N 3.16Å; P1015-F1018 PolarHBondContact O-N 3.3Å; F1018-S1020 VanDerWaalsContact C-N 3.34Å; F1018-S1020 PolarHBondContact O-N 3.05Å; F1018-Y1021 PolarHBondContact O-N 3.05Å; F1018-V1022 HydrophobicContact CD1-CG2 4.03Å; F1018-V1022 HydrophobicContact CE1-CG2 3.66Å; F1018-V1022 HydrophobicContact CZ-CG2 4.08Å; F1018-V1022 WeakPolarHBondContact O-CG2 3.31Å; F1018-V1022 PolarHBondContact O-N 3.38Å; F1018-L1067 HydrophobicContact CB-CD2 4.48Å; F1018-L1067 HydrophobicContact CD2-CD1 3.98Å
1019F90.1Very high85.3Confident89 Ų8939.1 Ų39.139%0.3922%0.221SC..Hα-helixtrans-61.4-41.3172.8-71.9-55.7000112.5I811 I815 P1015 L1016 Q1017 Y1021 V1022 G1023I811-F1019 HydrophobicContact CB-CE1 4.39Å; I811-F1019 HydrophobicContact CD1-CD1 4.23Å; I811-F1019 HydrophobicContact CD1-CE1 4.02Å; I811-F1019 HydrophobicContact CG1-CD1 4.37Å; I811-F1019 HydrophobicContact CG1-CE1 4.02Å; I811-F1019 HydrophobicContact CG2-CE1 3.52Å; I811-F1019 HydrophobicContact CG2-CZ 3.96Å; I815-F1019 HydrophobicContact CD1-CZ 4.3Å; P1015-F1019 HydrophobicContact CB-CD2 4.48Å; P1015-F1019 HydrophobicContact CB-CE2 4.19Å; P1015-F1019 WeakPolarHBondContact O-CD2 3.29Å; P1015-F1019 WeakPolarHBondContact O-CG 3.39Å; P1015-F1019 PolarHBondContact O-N 3.25Å; L1016-F1019 PolarHBondContact O-N 3.42Å; Q1017-F1019 PolarHBondContact O-N 2.91Å; F1019-Y1021 VanDerWaalsContact C-N 3.33Å; F1019-Y1021 PolarHBondContact O-N 3.12Å; F1019-V1022 PolarHBondContact O-N 3.29Å; F1019-G1023 PolarHBondContact O-N 3.02Å; F1019-G1023 VanDerWaalsContact O-N 3.1Å
1020S86.6Confident84.4Confident45 Ų4540.9 Ų40.932%0.31523%0.234SC..Hα-helixtrans-64.3-38.9177.7-55.80000111.3L1016 Q1017 F1018 G1023 S1056L1016-S1020 WeakPolarHBondContact O-CB 3.21Å; L1016-S1020 PolarHBondContact O-N 3.35Å; L1016-S1020 PolarHBondContact O-OG 3.45Å; Q1017-S1020 WeakPolarHBondContact O-CB 3.24Å; Q1017-S1020 PolarHBondContact O-N 3.18Å; F1018-S1020 VanDerWaalsContact C-N 3.34Å; F1018-S1020 PolarHBondContact O-N 3.05Å; S1020-G1023 PolarHBondContact O-N 3.41Å; S1020-S1056 WeakPolarHBondContact O-CB 3.43Å
1021Y88.7Confident83.5Confident16 Ų1644.3 Ų44.36%0.06325%0.249CC..Hα-helixtrans-73.6-32.9179.2-66.42.4000113.3I806 Q1017 F1018 F1019 N1054 W1062 L1067I806-Y1021 HydrophobicContact CD1-CD2 4.28Å; Q1017-Y1021 HydrophobicContact CG-CD1 4.43Å; Q1017-Y1021 HydrophobicContact CG-CE1 3.82Å; Q1017-Y1021 HydrophobicContact CG-CE2 4.13Å; Q1017-Y1021 PolarHBondContact NE2-OH 3.3Å; Q1017-Y1021 VanDerWaalsContact O-CD1 3.32Å; Q1017-Y1021 WeakPolarHBondContact O-CD1 3.33Å; Q1017-Y1021 PolarHBondContact O-N 3.4Å; F1018-Y1021 PolarHBondContact O-N 3.05Å; F1019-Y1021 VanDerWaalsContact C-N 3.33Å; F1019-Y1021 PolarHBondContact O-N 3.12Å; Y1021-N1054 WeakPolarHBondContact CE1-OD1 3.3Å; Y1021-N1054 PolarHBondContact OH-OD1 3.45Å; Y1021-W1062 HydrophobicContact CD1-CB 4.12Å; Y1021-W1062 AromaticContact CD1-CD1 3.86Å; Y1021-W1062 AromaticContact CD1-CD2 3.5Å; Y1021-W1062 HydrophobicContact CD1-CD2 3.5Å; Y1021-W1062 AromaticContact CD1-CE2 3.86Å; Y1021-W1062 AromaticContact CD1-CE3 3.96Å; Y1021-W1062 HydrophobicContact CD1-CE3 3.96Å; Y1021-W1062 AromaticContact CD1-CG 3.54Å; Y1021-W1062 HydrophobicContact CD1-CG 3.54Å; Y1021-W1062 HydrophobicContact CD2-CB 3.47Å; Y1021-W1062 VanDerWaalsContact CD2-CB 3.47Å; Y1021-W1062 HydrophobicContact CD2-CD2 4.48Å; Y1021-W1062 AromaticContact CD2-CG 3.83Å; Y1021-W1062 HydrophobicContact CD2-CG 3.83Å; Y1021-W1062 HydrophobicContact CE1-CB 4.33Å; Y1021-W1062 AromaticContact CE1-CD2 3.56Å; Y1021-W1062 HydrophobicContact CE1-CD2 3.56Å; Y1021-W1062 AromaticContact CE1-CE3 3.48Å; Y1021-W1062 HydrophobicContact CE1-CE3 3.48Å; Y1021-W1062 VanDerWaalsContact CE1-CE3 3.48Å; Y1021-W1062 AromaticContact CE1-CG 3.93Å; Y1021-W1062 HydrophobicContact CE1-CG 3.93Å; Y1021-W1062 HydrophobicContact CE1-CZ3 4.07Å; Y1021-W1062 HydrophobicContact CE2-CB 3.69Å; Y1021-W1062 HydrophobicContact CE2-CD2 4.5Å; Y1021-W1062 HydrophobicContact CE2-CG 4.16Å; Y1021-W1062 HydrophobicContact CG-CB 3.71Å; Y1021-W1062 AromaticContact CG-CD1 3.75Å; Y1021-W1062 HydrophobicContact CG-CD2 4.02Å; Y1021-W1062 AromaticContact CG-CG 3.51Å; Y1021-W1062 HydrophobicContact CG-CG 3.51Å; Y1021-W1062 AromaticContact CZ-CE3 3.83Å; Y1021-L1067 HydrophobicContact CD2-CD1 3.7Å; Y1021-L1067 HydrophobicContact CD2-CG 4.05Å; Y1021-L1067 HydrophobicContact CE2-CD1 3.92Å; Y1021-L1067 HydrophobicContact CE2-CD2 4.37Å; Y1021-L1067 HydrophobicContact CE2-CG 3.77Å
1022V87Confident82.9Confident17 Ų1744.2 Ų44.210%0.10325%0.245CC..Hα-helixtrans-69.9-32.6173.1170.70000111.9I806 W879 F1018 F1019I806-V1022 HydrophobicContact CG2-CG2 3.67Å; W879-V1022 HydrophobicContact CZ2-CG1 4.07Å; W879-V1022 PolarHBondContact NE1-O 3.2Å; F1018-V1022 HydrophobicContact CD1-CG2 4.03Å; F1018-V1022 HydrophobicContact CE1-CG2 3.66Å; F1018-V1022 HydrophobicContact CZ-CG2 4.08Å; F1018-V1022 WeakPolarHBondContact O-CG2 3.31Å; F1018-V1022 PolarHBondContact O-N 3.38Å; F1019-V1022 PolarHBondContact O-N 3.29Å
1023G82.9Confident82.5Confident21 Ų2143.2 Ų43.222%0.21625%0.245CC..  trans66.2-161.9174.800000115F1019 S1020 Y1032F1019-G1023 PolarHBondContact O-N 3.02Å; F1019-G1023 VanDerWaalsContact O-N 3.1Å; S1020-G1023 PolarHBondContact O-N 3.41Å; G1023-Y1032 WeakPolarHBondContact CA-OH 3.44Å
1024L82.1Confident82Confident80 Ų8045.2 Ų45.242%0.41925%0.251SS..SBendtrans-96.6151.2173.5-71.5172.5000108.5Y1032 Y1058L1024-Y1032 HydrophobicContact CB-CE1 4.37Å; L1024-Y1032 HydrophobicContact CD1-CD1 4.36Å; L1024-Y1032 HydrophobicContact CD1-CE1 3.88Å; L1024-Y1032 HydrophobicContact CG-CE1 4.08Å; L1024-Y1032 PolarHBondContact N-OH 3.49Å; L1024-Y1058 WeakPolarHBondContact CB-OH 3.17Å; L1024-Y1058 WeakPolarHBondContact O-CE1 3.38Å
1025P77.3Confident81.2Confident35 Ų3546.5 Ų46.523%0.22726%0.26CS..  trans-64.3123.9178.625.9-33.9000110.7W879 D1027 S1028W879-P1025 HydrophobicContact CD2-CB 4.13Å; W879-P1025 HydrophobicContact CE3-CB 4.47Å; W879-P1025 HydrophobicContact CG-CB 4.32Å; P1025-D1027 VanDerWaalsContact C-N 3.33Å; P1025-D1027 PolarHBondContact O-N 3.01Å; P1025-S1028 WeakPolarHBondContact O-CB 3.38Å; P1025-S1028 PolarHBondContact O-N 2.88Å; P1025-S1028 VanDerWaalsContact O-N 3.15Å; P1025-S1028 PolarHBondContact O-OG 3.21Å
1026P70.2Confident80.5Confident15 Ų1552.9 Ų52.910%0.09728%0.283CS..G310 helixtrans-68.1-28.2-17424.9-32.1000113.5H871 I874 S1028 C1029 Y1058H871-P1026 WeakPolarHBondContact O-CB 3.47Å; I874-P1026 HydrophobicContact CB-CG 4.01Å; I874-P1026 VanDerWaalsContact O-CG 3.3Å; I874-P1026 WeakPolarHBondContact O-CG 3.22Å; P1026-S1028 PolarHBondContact O-N 3.27Å; P1026-C1029 PolarHBondContact O-N 2.85Å; P1026-Y1058 HydrophobicContact CB-CD1 3.85Å; P1026-Y1058 HydrophobicContact CB-CE1 3.83Å
1027D67.4Low79.7Confident77 Ų7758.5 Ų58.541%0.41230%0.297SS..G310 helixtrans-55.2-16171.4-77.3-13.4000113.7S875 M876 P1025S875-D1027 WeakPolarHBondContact CA-OD2 3.29Å; M876-D1027 PolarHBondContact N-OD2 2.74Å; P1025-D1027 VanDerWaalsContact C-N 3.33Å; P1025-D1027 PolarHBondContact O-N 3.01Å
1028S70.4Confident78.8Confident53 Ų5359.4 Ų59.437%0.37130%0.302SS..G310 helixtrans-80.4-10.317468.40000114.7P1025 P1026 I1030P1025-S1028 WeakPolarHBondContact O-CB 3.38Å; P1025-S1028 PolarHBondContact O-N 2.88Å; P1025-S1028 VanDerWaalsContact O-N 3.15Å; P1025-S1028 PolarHBondContact O-OG 3.21Å; P1026-S1028 PolarHBondContact O-N 3.27Å; S1028-I1030 WeakPolarHBondContact O-CG1 3.36Å; S1028-I1030 PolarHBondContact O-N 2.77Å
1029C72.5Confident77.4Confident54 Ų5464.2 Ų64.237%0.36533%0.334SS..  trans54.826.4179.7-60.40000116C869 P1026C869-C1029 HydrophobicContact CB-CB 4.03Å; C869-C1029 WeakPolarHBondContact CB-SG 3.28Å; C869-C1029 WeakPolarHBondContact SG-CB 3.32Å; C869-C1029 CovalentContact SG-SG 2.03Å; C869-C1029 PolarHBondContact SG-SG 3.04Å; P1026-C1029 PolarHBondContact O-N 2.85Å
1030I75Confident76.5Confident96 Ų9664.2 Ų64.249%0.49235%0.345SS..  trans-90.3112.6-179.9-58.2175.3000109.9S1028 Y1058S1028-I1030 WeakPolarHBondContact O-CG1 3.36Å; S1028-I1030 PolarHBondContact O-N 2.77Å; I1030-Y1058 VanDerWaalsContact O-CE2 3.3Å; I1030-Y1058 WeakPolarHBondContact O-CE2 3.43Å; I1030-Y1058 PolarHBondContact O-OH 2.67Å
1031E72.9Confident75.9Confident71 Ų7166.4 Ų66.433%0.33235%0.347SS..  trans-68.2142.2172.2-66.5-162.8164.100112.5H871 S1035 Y1036H871-E1031 IonicContact CD2-OE1 3.67Å; H871-E1031 IonicContact CE1-OE1 3.79Å; H871-E1031 IonicContact NE2-OE1 3.37Å; H871-E1031 PolarHBondContact NE2-OE1 3.34Å; E1031-S1035 PolarHBondContact OE2-OG 3.22Å; E1031-Y1036 HydrophobicContact CB-CE2 4.15Å; E1031-Y1036 PolarHBondContact OE2-OH 3.26Å
1032Y78.7Confident75.3Confident18 Ų1867.9 Ų67.97%0.07136%0.359CS..  trans-68.8139.9176.5-72-65.4000112.3G1023 L1024 W1034 S1035 S1056 Y1058G1023-Y1032 WeakPolarHBondContact CA-OH 3.44Å; L1024-Y1032 HydrophobicContact CB-CE1 4.37Å; L1024-Y1032 HydrophobicContact CD1-CD1 4.36Å; L1024-Y1032 HydrophobicContact CD1-CE1 3.88Å; L1024-Y1032 HydrophobicContact CG-CE1 4.08Å; L1024-Y1032 PolarHBondContact N-OH 3.49Å; Y1032-W1034 VanDerWaalsContact CB-CE2 3.43Å; Y1032-W1034 AromaticContact CD1-CH2 3.69Å; Y1032-W1034 HydrophobicContact CD1-CH2 3.69Å; Y1032-W1034 AromaticContact CD1-CZ2 3.44Å; Y1032-W1034 HydrophobicContact CD1-CZ2 3.44Å; Y1032-W1034 VanDerWaalsContact CD1-CZ2 3.44Å; Y1032-W1034 HydrophobicContact CD2-CZ2 4.08Å; Y1032-W1034 HydrophobicContact CE1-CH2 4.31Å; Y1032-W1034 HydrophobicContact CE1-CZ2 4.12Å; Y1032-W1034 AromaticContact CG-CE2 3.85Å; Y1032-W1034 HydrophobicContact CG-CH2 4.12Å; Y1032-W1034 AromaticContact CG-CZ2 3.41Å; Y1032-W1034 HydrophobicContact CG-CZ2 3.41Å; Y1032-W1034 VanDerWaalsContact CG-CZ2 3.41Å; Y1032-W1034 PolarHBondContact O-N 3.29Å; Y1032-S1035 WeakPolarHBondContact O-CB 3.37Å; Y1032-S1035 PolarHBondContact O-N 3.05Å; Y1032-S1035 PolarHBondContact O-OG 2.89Å; Y1032-S1056 WeakPolarHBondContact CD2-O 3.23Å; Y1032-S1056 VanDerWaalsContact CE1-OG 3.24Å; Y1032-S1056 WeakPolarHBondContact CE1-OG 3.26Å; Y1032-S1056 VanDerWaalsContact CZ-OG 3.29Å; Y1032-Y1058 AromaticContact CD2-CD2 3.78Å; Y1032-Y1058 HydrophobicContact CD2-CD2 3.78Å; Y1032-Y1058 AromaticContact CD2-CE2 3.56Å; Y1032-Y1058 HydrophobicContact CD2-CE2 3.56Å; Y1032-Y1058 HydrophobicContact CE2-CD1 4.33Å; Y1032-Y1058 AromaticContact CE2-CD2 3.64Å; Y1032-Y1058 HydrophobicContact CE2-CD2 3.64Å; Y1032-Y1058 HydrophobicContact CE2-CE1 4.15Å; Y1032-Y1058 AromaticContact CE2-CE2 3.4Å; Y1032-Y1058 HydrophobicContact CE2-CE2 3.4Å; Y1032-Y1058 VanDerWaalsContact CE2-CE2 3.4Å; Y1032-Y1058 HydrophobicContact CE2-CG 4.1Å; Y1032-Y1058 AromaticContact CE2-CZ 3.7Å; Y1032-Y1058 HydrophobicContact CG-CE2 4.36Å; Y1032-Y1058 AromaticContact CZ-CZ 3.96Å
1033P82.7Confident74.9Confident76 Ų7672.4 Ų72.449%0.49438%0.383SS..THydrogen-bonded Turntrans-55.8-29.4-173.3-28.435.3000116S1035P1033-S1035 VanDerWaalsContact C-N 3.32Å; P1033-S1035 PolarHBondContact O-N 2.96Å
1034W81.1Confident74.9Confident64 Ų6473.1 Ų73.124%0.24238%0.382CS..Hα-helixtrans-75.5-12.5179.946.881.3000114.6Y1032 Y1036 W1037 I1038 L1055 S1056Y1032-W1034 VanDerWaalsContact CB-CE2 3.43Å; Y1032-W1034 AromaticContact CD1-CH2 3.69Å; Y1032-W1034 HydrophobicContact CD1-CH2 3.69Å; Y1032-W1034 AromaticContact CD1-CZ2 3.44Å; Y1032-W1034 HydrophobicContact CD1-CZ2 3.44Å; Y1032-W1034 VanDerWaalsContact CD1-CZ2 3.44Å; Y1032-W1034 HydrophobicContact CD2-CZ2 4.08Å; Y1032-W1034 HydrophobicContact CE1-CH2 4.31Å; Y1032-W1034 HydrophobicContact CE1-CZ2 4.12Å; Y1032-W1034 AromaticContact CG-CE2 3.85Å; Y1032-W1034 HydrophobicContact CG-CH2 4.12Å; Y1032-W1034 AromaticContact CG-CZ2 3.41Å; Y1032-W1034 HydrophobicContact CG-CZ2 3.41Å; Y1032-W1034 VanDerWaalsContact CG-CZ2 3.41Å; Y1032-W1034 PolarHBondContact O-N 3.29Å; W1034-Y1036 PolarHBondContact O-N 3.39Å; W1034-W1037 PolarHBondContact O-N 3.45Å; W1034-I1038 PolarHBondContact O-N 3.32Å; W1034-L1055 HydrophobicContact CB-CD1 4.12Å; W1034-L1055 HydrophobicContact CD2-CB 4.14Å; W1034-L1055 HydrophobicContact CD2-CD1 4.18Å; W1034-L1055 HydrophobicContact CD2-CD2 4.24Å; W1034-L1055 HydrophobicContact CD2-CG 4.43Å; W1034-L1055 HydrophobicContact CE3-CD2 4.11Å; W1034-L1055 HydrophobicContact CG-CB 4.4Å; W1034-L1055 HydrophobicContact CG-CD1 3.9Å; W1034-L1055 HydrophobicContact CZ2-CB 4.26Å; W1034-L1055 HydrophobicContact CZ3-CD2 4.39Å; W1034-S1056 VanDerWaalsContact CE2-O 3.3Å; W1034-S1056 WeakPolarHBondContact CH2-OG 3.25Å; W1034-S1056 WeakPolarHBondContact CZ2-O 3.49Å; W1034-S1056 WeakPolarHBondContact CZ2-OG 3.18Å; W1034-S1056 PolarHBondContact NE1-O 3.05Å
1035S75.2Confident74.8Confident29 Ų2969.4 Ų69.420%0.20336%0.363CS..Hα-helixtrans-58.6-35.2172.267.80000111.5E1031 Y1032 P1033 R1046E1031-S1035 PolarHBondContact OE2-OG 3.22Å; Y1032-S1035 WeakPolarHBondContact O-CB 3.37Å; Y1032-S1035 PolarHBondContact O-N 3.05Å; Y1032-S1035 PolarHBondContact O-OG 2.89Å; P1033-S1035 VanDerWaalsContact C-N 3.32Å; P1033-S1035 PolarHBondContact O-N 2.96Å; S1035-R1046 PolarHBondContact O-NH1 3.17Å; S1035-R1046 VanDerWaalsContact O-NH1 3.08Å
1036Y77.6Confident75.2Confident152 Ų15271.7 Ų71.760%0.59637%0.367SS*.Hα-helixtrans-86.7-28.6178.7-56.4-73.5000114E1031 W1034 I1038 P1039E1031-Y1036 HydrophobicContact CB-CE2 4.15Å; E1031-Y1036 PolarHBondContact OE2-OH 3.26Å; W1034-Y1036 PolarHBondContact O-N 3.39Å; Y1036-I1038 VanDerWaalsContact C-N 3.29Å; Y1036-I1038 PolarHBondContact O-N 3.31Å; Y1036-P1039 WeakPolarHBondContact O-CD 3.36Å
1037W72.9Confident75.9Confident215 Ų21573.1 Ų73.181%0.81437%0.372SS*.Hα-helixtrans-77.5-13.5-176.4-70.311.3000113.5W1034 P1039W1034-W1037 PolarHBondContact O-N 3.45Å; W1037-P1039 WeakPolarHBondContact O-CD 3.36Å
1038I72.2Confident76.9Confident22 Ų2269.5 Ų69.511%0.11335%0.352CS..  trans-119.459.6-177.9-48.6175.2000110.8W1034 Y1036 Y1041 R1046 L1049W1034-I1038 PolarHBondContact O-N 3.32Å; Y1036-I1038 VanDerWaalsContact C-N 3.29Å; Y1036-I1038 PolarHBondContact O-N 3.31Å; I1038-Y1041 HydrophobicContact CG2-CD2 3.91Å; I1038-Y1041 HydrophobicContact CG2-CE2 4.38Å; I1038-R1046 HydrophobicContact CB-CG 4.35Å; I1038-R1046 HydrophobicContact CG2-CG 4.16Å; I1038-R1046 WeakPolarHBondContact O-CD 3.43Å; I1038-L1049 HydrophobicContact CD1-CD2 4.37Å; I1038-L1049 HydrophobicContact CG2-CD2 3.8Å
1039P62.9Low77.7Confident104 Ų10468.2 Ų68.268%0.67534%0.341SS*.  trans-90.9-5.8-170.237.1-37.8000115.3Y1036 W1037Y1036-P1039 WeakPolarHBondContact O-CD 3.36Å; W1037-P1039 WeakPolarHBondContact O-CD 3.36Å
1040S70.7Confident78.4Confident88 Ų8866.2 Ų66.262%0.61533%0.327SS*.SBendtrans-95.815.5-168.472.60000115.7
1041Y73.4Confident79Confident92 Ų9261.9 Ų61.936%0.36131%0.305SS..SBendtrans-132.8157.4-174.2-57.8-73.9000110.7I1038 F1208I1038-Y1041 HydrophobicContact CG2-CD2 3.91Å; I1038-Y1041 HydrophobicContact CG2-CE2 4.38Å; Y1041-F1208 HydrophobicContact CE1-CD1 4.4Å; Y1041-F1208 AromaticContact CE1-CE1 3.7Å; Y1041-F1208 HydrophobicContact CE1-CE1 3.7Å; Y1041-F1208 HydrophobicContact CE1-CZ 4.39Å; Y1041-F1208 AromaticContact CZ-CE1 3.89Å
1042S76Confident79.7Confident47 Ų4758.6 Ų58.633%0.32929%0.29SS..  trans-60.6156.2172.356.10000111.2D1044 A1045 R1046S1042-D1044 VanDerWaalsContact C-N 3.3Å; S1042-D1044 PolarHBondContact O-N 3.19Å; S1042-A1045 CarbonylContact O-C 3.57Å; S1042-A1045 PolarHBondContact O-N 2.87Å; S1042-A1045 WeakPolarHBondContact OG-CB 3.32Å; S1042-R1046 WeakPolarHBondContact O-CB 3.31Å; S1042-R1046 PolarHBondContact O-N 3.48Å
1043D79.3Confident80.1Confident111 Ų11161.4 Ų61.459%0.59431%0.305SS*.Hα-helixtrans-57.5-41-174.5-74.5-49.2000113.2R1046 F1047D1043-R1046 PolarHBondContact O-N 3.44Å; D1043-R1046 IonicContact OD1-CZ 2.82Å; D1043-R1046 IonicContact OD1-NE 3.56Å; D1043-R1046 IonicContact OD1-NH2 2.62Å; D1043-R1046 PolarHBondContact OD1-NH2 3.39Å; D1043-F1047 WeakPolarHBondContact O-CB 3.14Å; D1043-F1047 PolarHBondContact O-N 2.76Å
1044D82.2Confident80.3Confident36 Ų3658.6 Ų58.619%0.19329%0.287CS..Hα-helixtrans-64-39.5175-69.6-37.8000111.9S1042 N1048 H1239 L1241S1042-D1044 VanDerWaalsContact C-N 3.3Å; S1042-D1044 PolarHBondContact O-N 3.19Å; D1044-N1048 WeakPolarHBondContact O-CB 3.41Å; D1044-N1048 PolarHBondContact O-N 3.41Å; D1044-N1048 PolarHBondContact O-OD1 3.3Å; D1044-H1239 HydrophobicContact CB-CB 4.02Å; D1044-H1239 IonicContact OD1-CE1 3.39Å; D1044-H1239 IonicContact OD1-CG 3.07Å; D1044-H1239 IonicContact OD1-ND1 3.09Å; D1044-H1239 PolarHBondContact OD1-ND1 3.03Å; D1044-L1241 HydrophobicContact CB-CD2 4.27Å
1045A80.8Confident80.4Confident3 Ų357.8 Ų57.83%0.02529%0.287CS..Hα-helixtrans-71.4-36.2176.600000112.4S1042 N1048 L1049 V1207 L1241S1042-A1045 CarbonylContact O-C 3.57Å; S1042-A1045 PolarHBondContact O-N 2.87Å; S1042-A1045 WeakPolarHBondContact OG-CB 3.32Å; A1045-N1048 PolarHBondContact O-N 2.97Å; A1045-L1049 WeakPolarHBondContact O-CB 3.5Å; A1045-L1049 PolarHBondContact O-N 3.21Å; A1045-V1207 HydrophobicContact CB-CG1 4.43Å; A1045-L1241 HydrophobicContact CB-CD2 3.96Å
1046R84.2Confident80.9Confident83 Ų8357 Ų5731%0.31328%0.281SS..Hα-helixtrans-65-42.7173.6-179.5168.266.3150.8-6.9111.1S1035 I1038 S1042 D1043 L1049 S1050S1035-R1046 PolarHBondContact O-NH1 3.17Å; S1035-R1046 VanDerWaalsContact O-NH1 3.08Å; I1038-R1046 HydrophobicContact CB-CG 4.35Å; I1038-R1046 HydrophobicContact CG2-CG 4.16Å; I1038-R1046 WeakPolarHBondContact O-CD 3.43Å; S1042-R1046 WeakPolarHBondContact O-CB 3.31Å; S1042-R1046 PolarHBondContact O-N 3.48Å; D1043-R1046 PolarHBondContact O-N 3.44Å; D1043-R1046 IonicContact OD1-CZ 2.82Å; D1043-R1046 IonicContact OD1-NE 3.56Å; D1043-R1046 IonicContact OD1-NH2 2.62Å; D1043-R1046 PolarHBondContact OD1-NH2 3.39Å; R1046-L1049 PolarHBondContact O-N 3.44Å; R1046-S1050 PolarHBondContact O-N 2.99Å; R1046-S1050 PolarHBondContact O-OG 3.18Å; R1046-S1050 VanDerWaalsContact O-OG 3.14Å
1047F85.8Confident81Confident45 Ų4551.4 Ų51.420%0.19726%0.261CS..Hα-helixtrans-61.2-50.8172.7-179.1-89000111.7D1043 L1049 S1050 Y1051 I1057 V1060 H1239D1043-F1047 WeakPolarHBondContact O-CB 3.14Å; D1043-F1047 PolarHBondContact O-N 2.76Å; F1047-L1049 VanDerWaalsContact C-N 3.28Å; F1047-L1049 PolarHBondContact O-N 3.45Å; F1047-S1050 PolarHBondContact O-N 3.17Å; F1047-S1050 PolarHBondContact O-OG 3.19Å; F1047-Y1051 WeakPolarHBondContact O-CB 3.32Å; F1047-Y1051 PolarHBondContact O-N 2.86Å; F1047-I1057 HydrophobicContact CE2-CD1 4.4Å; F1047-I1057 HydrophobicContact CE2-CG2 4.39Å; F1047-V1060 HydrophobicContact CE2-CG2 3.51Å; F1047-V1060 HydrophobicContact CZ-CG2 3.77Å; F1047-H1239 AromaticContact CD1-CD2 3.63Å; F1047-H1239 AromaticContact CD1-CG 3.85Å; F1047-H1239 AromaticContact CD1-NE2 3.82Å; F1047-H1239 AromaticContact CE1-CD2 3.47Å; F1047-H1239 VanDerWaalsContact CE1-CD2 3.47Å; F1047-H1239 WeakPolarHBondContact CE1-CD2 3.44Å; F1047-H1239 AromaticContact CE1-NE2 3.55Å; F1047-H1239 AromaticContact CZ-NE2 3.82Å
1048N88.1Confident81.3Confident1 Ų143 Ų431%0.00523%0.23CC..Hα-helixtrans-58.2-41.1178.4-71.8-4.4000112D1044 A1045 L1052 C1206 V1207 C1238 H1239D1044-N1048 WeakPolarHBondContact O-CB 3.41Å; D1044-N1048 PolarHBondContact O-N 3.41Å; D1044-N1048 PolarHBondContact O-OD1 3.3Å; A1045-N1048 PolarHBondContact O-N 2.97Å; N1048-L1052 WeakPolarHBondContact O-CB 3.5Å; N1048-L1052 PolarHBondContact O-N 3.11Å; N1048-C1206 PolarHBondContact ND2-O 2.68Å; N1048-V1207 HydrophobicContact CB-CG2 4.15Å; N1048-C1238 HydrophobicContact CB-CB 4.47Å; N1048-C1238 WeakPolarHBondContact OD1-CA 3.42Å; N1048-C1238 WeakPolarHBondContact OD1-CB 3.28Å; N1048-H1239 PolarHBondContact ND2-O 3.24Å; N1048-H1239 PolarHBondContact OD1-N 2.97Å
1049L87Confident81.2Confident26 Ų2645.1 Ų45.114%0.13626%0.257CS..Hα-helixtrans-68.7-43.3178.2-175.559.8000112.3I1038 A1045 R1046 F1047 L1053 V1207I1038-L1049 HydrophobicContact CD1-CD2 4.37Å; I1038-L1049 HydrophobicContact CG2-CD2 3.8Å; A1045-L1049 WeakPolarHBondContact O-CB 3.5Å; A1045-L1049 PolarHBondContact O-N 3.21Å; R1046-L1049 PolarHBondContact O-N 3.44Å; F1047-L1049 VanDerWaalsContact C-N 3.28Å; F1047-L1049 PolarHBondContact O-N 3.45Å; L1049-L1053 HydrophobicContact CD1-CD1 3.95Å; L1049-L1053 HydrophobicContact CD1-CG 4.18Å; L1049-L1053 HydrophobicContact CG-CD1 3.97Å; L1049-L1053 WeakPolarHBondContact O-CB 3.4Å; L1049-L1053 VanDerWaalsContact O-CG 3.22Å; L1049-L1053 WeakPolarHBondContact O-CG 3.38Å; L1049-L1053 PolarHBondContact O-N 3.37Å; L1049-V1207 HydrophobicContact CB-CG1 4.34Å; L1049-V1207 HydrophobicContact CB-CG2 4.01Å; L1049-V1207 HydrophobicContact CD1-CG2 4.34Å
1050S87.2Confident81.8Confident11 Ų1141.5 Ų41.58%0.07723%0.233CC..Hα-helixtrans-67.9-38.6178.557.80000112.4R1046 F1047 N1054 L1055 I1057R1046-S1050 PolarHBondContact O-N 2.99Å; R1046-S1050 PolarHBondContact O-OG 3.18Å; R1046-S1050 VanDerWaalsContact O-OG 3.14Å; F1047-S1050 PolarHBondContact O-N 3.17Å; F1047-S1050 PolarHBondContact O-OG 3.19Å; S1050-N1054 PolarHBondContact O-N 3.17Å; S1050-L1055 PolarHBondContact O-N 3.23Å; S1050-L1055 VanDerWaalsContact O-N 3.11Å; S1050-I1057 VanDerWaalsContact OG-CD1 3.25Å; S1050-I1057 WeakPolarHBondContact OG-CD1 3.19Å
1051Y88.2Confident82.2Confident5 Ų544.3 Ų44.32%0.0224%0.241CC..Hα-helixtrans-62.2-50.3173.7-175.2-85.3000111.3F1047 L1053 N1054 V1060 W1062 E1237F1047-Y1051 WeakPolarHBondContact O-CB 3.32Å; F1047-Y1051 PolarHBondContact O-N 2.86Å; Y1051-L1053 VanDerWaalsContact C-N 3.28Å; Y1051-L1053 PolarHBondContact O-N 3.42Å; Y1051-N1054 WeakPolarHBondContact O-CA 3.36Å; Y1051-N1054 PolarHBondContact O-N 3.05Å; Y1051-V1060 HydrophobicContact CD2-CG1 4.27Å; Y1051-V1060 HydrophobicContact CE2-CG1 4.19Å; Y1051-W1062 HydrophobicContact CD2-CH2 4.33Å; Y1051-W1062 HydrophobicContact CD2-CZ3 4.16Å; Y1051-W1062 HydrophobicContact CE2-CE3 4.24Å; Y1051-W1062 AromaticContact CE2-CZ3 3.96Å; Y1051-W1062 HydrophobicContact CE2-CZ3 3.96Å; Y1051-E1237 HydrophobicContact CD1-CB 4.49Å; Y1051-E1237 HydrophobicContact CE1-CB 3.77Å; Y1051-E1237 HydrophobicContact CE2-CB 3.87Å; Y1051-E1237 VanDerWaalsContact CZ-CB 3.42Å; Y1051-E1237 WeakPolarHBondContact OH-CB 3.12Å; Y1051-E1237 WeakPolarHBondContact OH-CG 3.29Å
1052L86.8Confident82.8Confident2 Ų240.7 Ų40.71%0.0123%0.227CC..Hα-helixtrans-69.7-24.7-176.7-164.6147.2000112.7A979 N1048 N1054 Q1202 I1203A979-L1052 VanDerWaalsContact CB-O 3.29Å; A979-L1052 WeakPolarHBondContact CB-O 3.43Å; A979-L1052 PolarHBondContact N-O 3.37Å; N1048-L1052 WeakPolarHBondContact O-CB 3.5Å; N1048-L1052 PolarHBondContact O-N 3.11Å; L1052-N1054 VanDerWaalsContact C-N 3.27Å; L1052-Q1202 HydrophobicContact CD1-CB 4.48Å; L1052-I1203 HydrophobicContact CD2-CD1 4.26Å; L1052-I1203 HydrophobicContact CD2-CG1 3.76Å
1053L87.1Confident83.2Confident77 Ų7739.9 Ų39.940%0.40322%0.22SC..THydrogen-bonded Turntrans-79.6-3.4168.4-69.9172.5000113.9A979 L1049 Y1051 L1055A979-L1053 HydrophobicContact CB-CD2 4.13Å; L1049-L1053 HydrophobicContact CD1-CD1 3.95Å; L1049-L1053 HydrophobicContact CD1-CG 4.18Å; L1049-L1053 HydrophobicContact CG-CD1 3.97Å; L1049-L1053 WeakPolarHBondContact O-CB 3.4Å; L1049-L1053 VanDerWaalsContact O-CG 3.22Å; L1049-L1053 WeakPolarHBondContact O-CG 3.38Å; L1049-L1053 PolarHBondContact O-N 3.37Å; Y1051-L1053 VanDerWaalsContact C-N 3.28Å; Y1051-L1053 PolarHBondContact O-N 3.42Å; L1053-L1055 VanDerWaalsContact C-N 3.3Å; L1053-L1055 HydrophobicContact CB-CD1 4.01Å; L1053-L1055 HydrophobicContact CB-CG 3.99Å; L1053-L1055 HydrophobicContact CD1-CD1 4.17Å; L1053-L1055 PolarHBondContact O-N 3.41Å
1054N86.9Confident83.7Confident18 Ų1836.3 Ų36.310%0.09620%0.204CC..THydrogen-bonded Turntrans5739.1-178.2-163.179000113.2L980 Y1021 S1050 Y1051 L1052 W1062L980-N1054 HydrophobicContact CD1-CB 4.17Å; Y1021-N1054 WeakPolarHBondContact CE1-OD1 3.3Å; Y1021-N1054 PolarHBondContact OH-OD1 3.45Å; S1050-N1054 PolarHBondContact O-N 3.17Å; Y1051-N1054 WeakPolarHBondContact O-CA 3.36Å; Y1051-N1054 PolarHBondContact O-N 3.05Å; L1052-N1054 VanDerWaalsContact C-N 3.27Å; N1054-W1062 WeakPolarHBondContact OD1-CZ3 3.46Å
1055L84.6Confident83.9Confident47 Ų4737 Ų3725%0.24622%0.215CC..  trans-87.6150.9173.7-64170.6000110.1W1034 S1050 L1053 W1062W1034-L1055 HydrophobicContact CB-CD1 4.12Å; W1034-L1055 HydrophobicContact CD2-CB 4.14Å; W1034-L1055 HydrophobicContact CD2-CD1 4.18Å; W1034-L1055 HydrophobicContact CD2-CD2 4.24Å; W1034-L1055 HydrophobicContact CD2-CG 4.43Å; W1034-L1055 HydrophobicContact CE3-CD2 4.11Å; W1034-L1055 HydrophobicContact CG-CB 4.4Å; W1034-L1055 HydrophobicContact CG-CD1 3.9Å; W1034-L1055 HydrophobicContact CZ2-CB 4.26Å; W1034-L1055 HydrophobicContact CZ3-CD2 4.39Å; S1050-L1055 PolarHBondContact O-N 3.23Å; S1050-L1055 VanDerWaalsContact O-N 3.11Å; L1053-L1055 VanDerWaalsContact C-N 3.3Å; L1053-L1055 HydrophobicContact CB-CD1 4.01Å; L1053-L1055 HydrophobicContact CB-CG 3.99Å; L1053-L1055 HydrophobicContact CD1-CD1 4.17Å; L1053-L1055 PolarHBondContact O-N 3.41Å; L1055-W1062 WeakPolarHBondContact O-CH2 3.43Å; L1055-W1062 WeakPolarHBondContact O-CZ2 3.38Å
1056S84.9Confident84.4Confident12 Ų1237.8 Ų37.88%0.08422%0.217CC..  trans-73.7141.2-178.649.70000113.1S1020 Y1032 W1034S1020-S1056 WeakPolarHBondContact O-CB 3.43Å; Y1032-S1056 WeakPolarHBondContact CD2-O 3.23Å; Y1032-S1056 VanDerWaalsContact CE1-OG 3.24Å; Y1032-S1056 WeakPolarHBondContact CE1-OG 3.26Å; Y1032-S1056 VanDerWaalsContact CZ-OG 3.29Å; W1034-S1056 VanDerWaalsContact CE2-O 3.3Å; W1034-S1056 WeakPolarHBondContact CH2-OG 3.25Å; W1034-S1056 WeakPolarHBondContact CZ2-O 3.49Å; W1034-S1056 WeakPolarHBondContact CZ2-OG 3.18Å; W1034-S1056 PolarHBondContact NE1-O 3.05Å
1057I80Confident84.6Confident35 Ų3533.8 Ų33.818%0.17920%0.202CC..  trans-139.8133.8-174.3-52.6165.2000107.3F1047 S1050 V1060F1047-I1057 HydrophobicContact CE2-CD1 4.4Å; F1047-I1057 HydrophobicContact CE2-CG2 4.39Å; S1050-I1057 VanDerWaalsContact OG-CD1 3.25Å; S1050-I1057 WeakPolarHBondContact OG-CD1 3.19Å; I1057-V1060 HydrophobicContact CB-CB 4.44Å; I1057-V1060 HydrophobicContact CB-CG2 3.87Å; I1057-V1060 HydrophobicContact CD1-CG2 4.36Å; I1057-V1060 HydrophobicContact CG2-CG2 3.76Å
1058Y79.4Confident84.9Confident38 Ų3833.5 Ų33.515%0.14920%0.202CC..THydrogen-bonded Turntrans-67.3137.2174.8-70.9-69.4000111.2H871 L1024 P1026 I1030 Y1032 V1060H871-Y1058 HydrophobicContact CB-CD2 3.9Å; H871-Y1058 HydrophobicContact CB-CG 3.93Å; L1024-Y1058 WeakPolarHBondContact CB-OH 3.17Å; L1024-Y1058 WeakPolarHBondContact O-CE1 3.38Å; P1026-Y1058 HydrophobicContact CB-CD1 3.85Å; P1026-Y1058 HydrophobicContact CB-CE1 3.83Å; I1030-Y1058 VanDerWaalsContact O-CE2 3.3Å; I1030-Y1058 WeakPolarHBondContact O-CE2 3.43Å; I1030-Y1058 PolarHBondContact O-OH 2.67Å; Y1032-Y1058 AromaticContact CD2-CD2 3.78Å; Y1032-Y1058 HydrophobicContact CD2-CD2 3.78Å; Y1032-Y1058 AromaticContact CD2-CE2 3.56Å; Y1032-Y1058 HydrophobicContact CD2-CE2 3.56Å; Y1032-Y1058 HydrophobicContact CE2-CD1 4.33Å; Y1032-Y1058 AromaticContact CE2-CD2 3.64Å; Y1032-Y1058 HydrophobicContact CE2-CD2 3.64Å; Y1032-Y1058 HydrophobicContact CE2-CE1 4.15Å; Y1032-Y1058 AromaticContact CE2-CE2 3.4Å; Y1032-Y1058 HydrophobicContact CE2-CE2 3.4Å; Y1032-Y1058 VanDerWaalsContact CE2-CE2 3.4Å; Y1032-Y1058 HydrophobicContact CE2-CG 4.1Å; Y1032-Y1058 AromaticContact CE2-CZ 3.7Å; Y1032-Y1058 HydrophobicContact CG-CE2 4.36Å; Y1032-Y1058 AromaticContact CZ-CZ 3.96Å; Y1058-V1060 PolarHBondContact O-N 3.38Å
1059G70.1Confident85Confident66 Ų6634.1 Ų34.168%0.6821%0.209SC*.THydrogen-bonded Turntrans82.1-3.1175.900000116.7
1060V75.6Confident85.2Confident29 Ų2932.9 Ų32.918%0.17620%0.202CC..  trans-91.9122177.5-178.50000111F1047 Y1051 I1057 Y1058 W1062F1047-V1060 HydrophobicContact CE2-CG2 3.51Å; F1047-V1060 HydrophobicContact CZ-CG2 3.77Å; Y1051-V1060 HydrophobicContact CD2-CG1 4.27Å; Y1051-V1060 HydrophobicContact CE2-CG1 4.19Å; I1057-V1060 HydrophobicContact CB-CB 4.44Å; I1057-V1060 HydrophobicContact CB-CG2 3.87Å; I1057-V1060 HydrophobicContact CD1-CG2 4.36Å; I1057-V1060 HydrophobicContact CG2-CG2 3.76Å; Y1058-V1060 PolarHBondContact O-N 3.38Å; V1060-W1062 PolarHBondContact O-N 3.19Å
1061N78.4Confident85.4Confident146 Ų14632.5 Ų32.578%0.78120%0.199SC*.  trans-84.5102.3173-72.1-32.8000110.3
1062W85.4Confident85.6Confident17 Ų1736.5 Ų36.56%0.06422%0.217CC..  trans-63.5133.6-179.9-6491.5000112.5I806 Y1021 Y1051 N1054 L1055 V1060 S1064I806-W1062 HydrophobicContact CD1-CB 4.48Å; Y1021-W1062 HydrophobicContact CD1-CB 4.12Å; Y1021-W1062 AromaticContact CD1-CD1 3.86Å; Y1021-W1062 AromaticContact CD1-CD2 3.5Å; Y1021-W1062 HydrophobicContact CD1-CD2 3.5Å; Y1021-W1062 AromaticContact CD1-CE2 3.86Å; Y1021-W1062 AromaticContact CD1-CE3 3.96Å; Y1021-W1062 HydrophobicContact CD1-CE3 3.96Å; Y1021-W1062 AromaticContact CD1-CG 3.54Å; Y1021-W1062 HydrophobicContact CD1-CG 3.54Å; Y1021-W1062 HydrophobicContact CD2-CB 3.47Å; Y1021-W1062 VanDerWaalsContact CD2-CB 3.47Å; Y1021-W1062 HydrophobicContact CD2-CD2 4.48Å; Y1021-W1062 AromaticContact CD2-CG 3.83Å; Y1021-W1062 HydrophobicContact CD2-CG 3.83Å; Y1021-W1062 HydrophobicContact CE1-CB 4.33Å; Y1021-W1062 AromaticContact CE1-CD2 3.56Å; Y1021-W1062 HydrophobicContact CE1-CD2 3.56Å; Y1021-W1062 AromaticContact CE1-CE3 3.48Å; Y1021-W1062 HydrophobicContact CE1-CE3 3.48Å; Y1021-W1062 VanDerWaalsContact CE1-CE3 3.48Å; Y1021-W1062 AromaticContact CE1-CG 3.93Å; Y1021-W1062 HydrophobicContact CE1-CG 3.93Å; Y1021-W1062 HydrophobicContact CE1-CZ3 4.07Å; Y1021-W1062 HydrophobicContact CE2-CB 3.69Å; Y1021-W1062 HydrophobicContact CE2-CD2 4.5Å; Y1021-W1062 HydrophobicContact CE2-CG 4.16Å; Y1021-W1062 HydrophobicContact CG-CB 3.71Å; Y1021-W1062 AromaticContact CG-CD1 3.75Å; Y1021-W1062 HydrophobicContact CG-CD2 4.02Å; Y1021-W1062 AromaticContact CG-CG 3.51Å; Y1021-W1062 HydrophobicContact CG-CG 3.51Å; Y1021-W1062 AromaticContact CZ-CE3 3.83Å; Y1051-W1062 HydrophobicContact CD2-CH2 4.33Å; Y1051-W1062 HydrophobicContact CD2-CZ3 4.16Å; Y1051-W1062 HydrophobicContact CE2-CE3 4.24Å; Y1051-W1062 AromaticContact CE2-CZ3 3.96Å; Y1051-W1062 HydrophobicContact CE2-CZ3 3.96Å; N1054-W1062 WeakPolarHBondContact OD1-CZ3 3.46Å; L1055-W1062 WeakPolarHBondContact O-CH2 3.43Å; L1055-W1062 WeakPolarHBondContact O-CZ2 3.38Å; V1060-W1062 PolarHBondContact O-N 3.19Å; W1062-S1064 PolarHBondContact O-N 3.34Å
1063P86Confident85.9Confident30 Ų3036.8 Ų36.820%0.19522%0.219CC..  trans-70.2124.2-177.727.4-34.5000111.7A1065 Y1066P1063-A1065 PolarHBondContact O-N 3.45Å; P1063-Y1066 HydrophobicContact CG-CD1 4.41Å; P1063-Y1066 HydrophobicContact CG-CD2 3.69Å; P1063-Y1066 HydrophobicContact CG-CE1 4.19Å; P1063-Y1066 HydrophobicContact CG-CE2 3.44Å; P1063-Y1066 VanDerWaalsContact CG-CE2 3.44Å; P1063-Y1066 HydrophobicContact CG-CG 4.18Å; P1063-Y1066 PolarHBondContact O-N 3.35Å
1064S88.1Confident86.2Confident35 Ų3533.1 Ų33.125%0.24520%0.2CC..Hα-helixtrans-62.3-19.8-176.767.90000114A803 N804 W1062 Y1066 L1067 I1068A803-S1064 WeakPolarHBondContact O-CB 3.31Å; N804-S1064 WeakPolarHBondContact OD1-CB 3.26Å; N804-S1064 PolarHBondContact OD1-OG 3.04Å; W1062-S1064 PolarHBondContact O-N 3.34Å; S1064-Y1066 VanDerWaalsContact C-N 3.27Å; S1064-Y1066 PolarHBondContact O-N 3.29Å; S1064-L1067 PolarHBondContact O-N 2.87Å; S1064-I1068 VanDerWaalsContact O-CG1 3.32Å; S1064-I1068 WeakPolarHBondContact O-CG1 3.21Å; S1064-I1068 PolarHBondContact O-N 2.88Å; S1064-I1068 VanDerWaalsContact O-N 3.12Å
1065A87.8Confident86.3Confident52 Ų5233.3 Ų33.343%0.4320%0.2SC..Hα-helixtrans-57.5-35176.500000113.5P1063 I1068 G1069P1063-A1065 PolarHBondContact O-N 3.45Å; A1065-I1068 PolarHBondContact O-N 3.14Å; A1065-G1069 PolarHBondContact O-N 3.48Å
1066Y90.1Very high86.7Confident18 Ų1833.3 Ų33.37%0.07120%0.2CC..Hα-helixtrans-68.3-50.6-179.1-60.4-13.1000110.8N975 R976 P1063 S1064 I1068 G1069 D1070N975-Y1066 WeakPolarHBondContact O-CE1 3.4Å; R976-Y1066 HydrophobicContact CG-CD1 4.15Å; R976-Y1066 HydrophobicContact CG-CG 4.37Å; P1063-Y1066 HydrophobicContact CG-CD1 4.41Å; P1063-Y1066 HydrophobicContact CG-CD2 3.69Å; P1063-Y1066 HydrophobicContact CG-CE1 4.19Å; P1063-Y1066 HydrophobicContact CG-CE2 3.44Å; P1063-Y1066 VanDerWaalsContact CG-CE2 3.44Å; P1063-Y1066 HydrophobicContact CG-CG 4.18Å; P1063-Y1066 PolarHBondContact O-N 3.35Å; S1064-Y1066 VanDerWaalsContact C-N 3.27Å; S1064-Y1066 PolarHBondContact O-N 3.29Å; Y1066-I1068 PolarHBondContact O-N 2.87Å; Y1066-G1069 WeakPolarHBondContact O-CA 3.26Å; Y1066-G1069 PolarHBondContact O-N 3.47Å; Y1066-D1070 PolarHBondContact O-N 3.49Å; Y1066-D1070 VanDerWaalsContact O-OD2 3.07Å
1067L90.2Very high87Confident0 Ų032.8 Ų32.80%020%0.197CC..Hα-helixtrans-57.9-36.7174.4-76.2169.1000112.5A803 I806 Y1014 Q1017 F1018 Y1021 S1064 F1071A803-L1067 HydrophobicContact CB-CB 4.23Å; I806-L1067 HydrophobicContact CD1-CD1 4.5Å; Y1014-L1067 HydrophobicContact CD2-CD2 4.12Å; Y1014-L1067 HydrophobicContact CE2-CB 4.31Å; Y1014-L1067 HydrophobicContact CE2-CD2 4Å; Y1014-L1067 WeakPolarHBondContact CE2-O 3.13Å; Q1017-L1067 HydrophobicContact CB-CD2 4.25Å; Q1017-L1067 HydrophobicContact CG-CD2 3.94Å; F1018-L1067 HydrophobicContact CB-CD2 4.48Å; F1018-L1067 HydrophobicContact CD2-CD1 3.98Å; Y1021-L1067 HydrophobicContact CD2-CD1 3.7Å; Y1021-L1067 HydrophobicContact CD2-CG 4.05Å; Y1021-L1067 HydrophobicContact CE2-CD1 3.92Å; Y1021-L1067 HydrophobicContact CE2-CD2 4.37Å; Y1021-L1067 HydrophobicContact CE2-CG 3.77Å; S1064-L1067 PolarHBondContact O-N 2.87Å; L1067-F1071 VanDerWaalsContact O-CB 3.27Å; L1067-F1071 WeakPolarHBondContact O-CB 3.26Å; L1067-F1071 PolarHBondContact O-N 3.08Å
1068I90.8Very high87.5Confident39 Ų3932.1 Ų32.120%0.220%0.195CC..Hα-helixtrans-67.9-41.2176.4-67.8166.7000111I800 A803 S1064 A1065 Y1066 F1071 F1072I800-I1068 HydrophobicContact CG1-CD1 4.41Å; A803-I1068 HydrophobicContact CB-CD1 4.25Å; A803-I1068 HydrophobicContact CB-CG1 3.88Å; S1064-I1068 VanDerWaalsContact O-CG1 3.32Å; S1064-I1068 WeakPolarHBondContact O-CG1 3.21Å; S1064-I1068 PolarHBondContact O-N 2.88Å; S1064-I1068 VanDerWaalsContact O-N 3.12Å; A1065-I1068 PolarHBondContact O-N 3.14Å; Y1066-I1068 PolarHBondContact O-N 2.87Å; I1068-F1071 PolarHBondContact O-N 3.32Å; I1068-F1072 HydrophobicContact CG2-CD2 3.76Å; I1068-F1072 HydrophobicContact CG2-CE2 3.64Å; I1068-F1072 WeakPolarHBondContact O-CD2 3.15Å; I1068-F1072 PolarHBondContact O-N 2.96Å
1069G90Very high88Confident14 Ų1431.6 Ų31.614%0.14420%0.197CC..Hα-helixtrans-58.5-54.6173.100000112A1065 Y1066 F1071 F1072 V1073A1065-G1069 PolarHBondContact O-N 3.48Å; Y1066-G1069 WeakPolarHBondContact O-CA 3.26Å; Y1066-G1069 PolarHBondContact O-N 3.47Å; G1069-F1071 VanDerWaalsContact C-N 3.3Å; G1069-F1071 PolarHBondContact O-N 2.9Å; G1069-F1072 PolarHBondContact O-N 3.35Å; G1069-F1072 VanDerWaalsContact O-N 3.08Å; G1069-V1073 WeakPolarHBondContact O-CG2 3.4Å; G1069-V1073 PolarHBondContact O-N 3.4Å
1070D90.9Very high89Confident0 Ų028.5 Ų28.50%017%0.165CC..Hα-helixtrans-56.9-40.8177.1-72.3-57.6000112.1R976 M1010 Y1014 Q1017 Y1066 V1073 L1074R976-D1070 IonicContact CZ-OD2 3.94Å; R976-D1070 IonicContact NH1-OD1 2.73Å; R976-D1070 PolarHBondContact NH1-OD1 3.31Å; R976-D1070 IonicContact NH1-OD2 2.74Å; R976-D1070 PolarHBondContact NH1-OD2 3.35Å; M1010-D1070 HydrophobicContact CE-CB 4.04Å; Y1014-D1070 HydrophobicContact CD2-CB 4.36Å; Q1017-D1070 VanDerWaalsContact CD-OD2 3.29Å; Q1017-D1070 PolarHBondContact NE2-OD2 3.28Å; Q1017-D1070 PolarHBondContact OE1-OD2 2.98Å; Y1066-D1070 PolarHBondContact O-N 3.49Å; Y1066-D1070 VanDerWaalsContact O-OD2 3.07Å; D1070-V1073 PolarHBondContact O-N 3.36Å; D1070-L1074 WeakPolarHBondContact O-CB 3.4Å; D1070-L1074 PolarHBondContact O-N 3.22Å
1071F91.8Very high89.6Confident3 Ų328 Ų281%0.01316%0.161CC..Hα-helixtrans-63.3-43.6174.3178.3-93.1000112.8F795 V796 A799 L817 I821 Y1014 L1067 I1068 G1069 L1074 L1075F795-F1071 HydrophobicContact CB-CZ 4.29Å; V796-F1071 HydrophobicContact CG2-CE1 3.94Å; A799-F1071 HydrophobicContact CB-CD1 3.82Å; A799-F1071 HydrophobicContact CB-CD2 3.73Å; A799-F1071 HydrophobicContact CB-CE1 3.74Å; A799-F1071 HydrophobicContact CB-CE2 3.63Å; A799-F1071 HydrophobicContact CB-CG 3.82Å; A799-F1071 HydrophobicContact CB-CZ 3.65Å; L817-F1071 HydrophobicContact CD1-CE2 4.41Å; L817-F1071 HydrophobicContact CD2-CD2 4.44Å; L817-F1071 HydrophobicContact CD2-CE2 3.84Å; L817-F1071 HydrophobicContact CG-CE2 4.11Å; I821-F1071 HydrophobicContact CD1-CD2 4.29Å; I821-F1071 HydrophobicContact CD1-CE2 3.32Å; I821-F1071 HydrophobicContact CD1-CZ 3.65Å; Y1014-F1071 HydrophobicContact CD2-CB 4.38Å; Y1014-F1071 HydrophobicContact CE1-CD2 4.35Å; Y1014-F1071 HydrophobicContact CE2-CB 3.84Å; Y1014-F1071 HydrophobicContact CE2-CD2 4.4Å; L1067-F1071 VanDerWaalsContact O-CB 3.27Å; L1067-F1071 WeakPolarHBondContact O-CB 3.26Å; L1067-F1071 PolarHBondContact O-N 3.08Å; I1068-F1071 PolarHBondContact O-N 3.32Å; G1069-F1071 VanDerWaalsContact C-N 3.3Å; G1069-F1071 PolarHBondContact O-N 2.9Å; F1071-L1074 PolarHBondContact O-N 3.25Å; F1071-L1075 HydrophobicContact CE1-CD2 4.3Å; F1071-L1075 WeakPolarHBondContact O-CB 3.36Å; F1071-L1075 PolarHBondContact O-N 2.97Å
1072F92.4Very high90Very high89 Ų8923.3 Ų23.339%0.3914%0.142SC..Hα-helixtrans-66.5-39.6176.3-84.9-64.3000111.9V796 I1068 G1069 L1075 L1076V796-F1072 HydrophobicContact CG1-CZ 4.34Å; V796-F1072 HydrophobicContact CG2-CE1 4.3Å; I1068-F1072 HydrophobicContact CG2-CD2 3.76Å; I1068-F1072 HydrophobicContact CG2-CE2 3.64Å; I1068-F1072 WeakPolarHBondContact O-CD2 3.15Å; I1068-F1072 PolarHBondContact O-N 2.96Å; G1069-F1072 PolarHBondContact O-N 3.35Å; G1069-F1072 VanDerWaalsContact O-N 3.08Å; F1072-L1075 PolarHBondContact O-N 3.22Å; F1072-L1076 WeakPolarHBondContact O-CB 3.34Å; F1072-L1076 VanDerWaalsContact O-CG 3.27Å; F1072-L1076 WeakPolarHBondContact O-CG 3.42Å; F1072-L1076 PolarHBondContact O-N 3.43Å
1073V93.3Very high90.1Very high7 Ų723.2 Ų23.24%0.04214%0.144CC..Hα-helixtrans-61.6-44.3173.9172.80000110.4I969 D972 Y1006 M1010 G1069 D1070 L1076 A1077I969-V1073 HydrophobicContact CG1-CG1 4.39Å; D972-V1073 HydrophobicContact CB-CG2 4.17Å; Y1006-V1073 HydrophobicContact CE1-CG1 4.13Å; Y1006-V1073 WeakPolarHBondContact OH-CG1 3.23Å; M1010-V1073 HydrophobicContact CE-CB 4.13Å; M1010-V1073 HydrophobicContact CE-CG1 3.9Å; M1010-V1073 HydrophobicContact CG-CG1 4.32Å; M1010-V1073 HydrophobicContact SD-CG1 4.26Å; G1069-V1073 WeakPolarHBondContact O-CG2 3.4Å; G1069-V1073 PolarHBondContact O-N 3.4Å; D1070-V1073 PolarHBondContact O-N 3.36Å; V1073-L1076 PolarHBondContact O-N 3.45Å; V1073-A1077 WeakPolarHBondContact O-CB 3.33Å; V1073-A1077 PolarHBondContact O-N 3.29Å
1074L92.8Very high90.2Very high1 Ų122.6 Ų22.61%0.00514%0.138CC..Hα-helixtrans-61.6-44.817417758.3000112.5M1010 A1011 D1070 F1071 A1077 S1078M1010-L1074 HydrophobicContact CB-CB 4.26Å; M1010-L1074 HydrophobicContact CB-CD1 3.92Å; A1011-L1074 HydrophobicContact CB-CD1 4.01Å; D1070-L1074 WeakPolarHBondContact O-CB 3.4Å; D1070-L1074 PolarHBondContact O-N 3.22Å; F1071-L1074 PolarHBondContact O-N 3.25Å; L1074-A1077 PolarHBondContact O-N 2.87Å; L1074-S1078 VanDerWaalsContact O-CB 3.29Å; L1074-S1078 WeakPolarHBondContact O-CB 3.47Å; L1074-S1078 PolarHBondContact O-N 3.25Å; L1074-S1078 PolarHBondContact O-OG 3.47Å
1075L90.7Very high90.1Very high22 Ų2229.9 Ų29.912%0.11516%0.16CC..Hα-helixtrans-64.8-40.6178.9-17963.1000112.3V796 F1071 F1072 S1078 C1079V796-L1075 HydrophobicContact CG2-CD2 4.25Å; F1071-L1075 HydrophobicContact CE1-CD2 4.3Å; F1071-L1075 WeakPolarHBondContact O-CB 3.36Å; F1071-L1075 PolarHBondContact O-N 2.97Å; F1072-L1075 PolarHBondContact O-N 3.22Å; L1075-S1078 WeakPolarHBondContact CA-OG 3.49Å; L1075-S1078 PolarHBondContact O-OG 2.7Å; L1075-C1079 WeakPolarHBondContact O-CB 3.25Å; L1075-C1079 PolarHBondContact O-N 3.18Å; L1075-C1079 VanDerWaalsContact O-N 3.11Å; L1075-C1079 PolarHBondContact O-SG 3.46Å
1076L92.1Very high89.9Confident47 Ų4736.8 Ų36.825%0.24618%0.175CC..Hα-helixtrans-73.9-40.8177-66.6173.9000111.5F957 T965 A968 F1072 V1073 C1079 Q1080F957-L1076 HydrophobicContact CE2-CD2 3.95Å; F957-L1076 HydrophobicContact CZ-CD2 4.45Å; T965-L1076 HydrophobicContact CG2-CB 3.8Å; A968-L1076 HydrophobicContact CB-CD1 3.87Å; F1072-L1076 WeakPolarHBondContact O-CB 3.34Å; F1072-L1076 VanDerWaalsContact O-CG 3.27Å; F1072-L1076 WeakPolarHBondContact O-CG 3.42Å; F1072-L1076 PolarHBondContact O-N 3.43Å; V1073-L1076 PolarHBondContact O-N 3.45Å; L1076-C1079 PolarHBondContact O-N 2.78Å; L1076-Q1080 WeakPolarHBondContact O-CB 3.41Å; L1076-Q1080 PolarHBondContact O-N 3.31Å
1077A91.8Very high89.4Confident1 Ų137.1 Ų37.11%0.00818%0.177CC..Hα-helixtrans-66.5-39178.500000112.5W1003 Y1006 V1007 V1073 L1074 Q1080 L1081W1003-A1077 HydrophobicContact CZ2-CB 4.03Å; W1003-A1077 PolarHBondContact NE1-O 3.47Å; Y1006-A1077 HydrophobicContact CD1-CB 4.1Å; Y1006-A1077 HydrophobicContact CE1-CB 4.01Å; V1007-A1077 HydrophobicContact CG2-CB 3.87Å; V1007-A1077 WeakPolarHBondContact CG2-O 3.41Å; V1073-A1077 WeakPolarHBondContact O-CB 3.33Å; V1073-A1077 PolarHBondContact O-N 3.29Å; L1074-A1077 PolarHBondContact O-N 2.87Å; A1077-Q1080 PolarHBondContact O-N 3.32Å; A1077-L1081 WeakPolarHBondContact O-CB 3.45Å; A1077-L1081 PolarHBondContact O-N 3.37Å
1078S90Very high88.5Confident21 Ų2139.3 Ų39.315%0.14720%0.2CC..Hα-helixtrans-67.5-39.9172.454.90000112.5L1074 L1075 Q1080 L1081 A1082L1074-S1078 VanDerWaalsContact O-CB 3.29Å; L1074-S1078 WeakPolarHBondContact O-CB 3.47Å; L1074-S1078 PolarHBondContact O-N 3.25Å; L1074-S1078 PolarHBondContact O-OG 3.47Å; L1075-S1078 WeakPolarHBondContact CA-OG 3.49Å; L1075-S1078 PolarHBondContact O-OG 2.7Å; S1078-Q1080 VanDerWaalsContact C-N 3.34Å; S1078-Q1080 PolarHBondContact O-N 3.39Å; S1078-L1081 PolarHBondContact O-N 2.89Å; S1078-A1082 PolarHBondContact O-N 3.28Å
1079C88.7Confident87.6Confident27 Ų2745.7 Ų45.718%0.18223%0.229CC..Hα-helixtrans-61.2-41.9169.7-73.10000111.7K792 F957 L1075 L1076 A1082 V1083K792-C1079 PolarHBondContact NZ-SG 3.24Å; F957-C1079 HydrophobicContact CD1-CB 4.46Å; F957-C1079 HydrophobicContact CE1-CB 3.61Å; F957-C1079 HydrophobicContact CZ-CB 3.87Å; L1075-C1079 WeakPolarHBondContact O-CB 3.25Å; L1075-C1079 PolarHBondContact O-N 3.18Å; L1075-C1079 VanDerWaalsContact O-N 3.11Å; L1075-C1079 PolarHBondContact O-SG 3.46Å; L1076-C1079 PolarHBondContact O-N 2.78Å; C1079-A1082 WeakPolarHBondContact O-CB 3.39Å; C1079-A1082 PolarHBondContact O-N 2.78Å; C1079-V1083 PolarHBondContact O-N 2.84Å
1080Q91Very high86.6Confident0 Ų050.2 Ų50.20%025%0.25CC..Hα-helixtrans-68.8-33178.2-179.256.223.700112F957 T965 W1003 L1076 A1077 S1078 A1082 V1083 F1084F957-Q1080 HydrophobicContact CE1-CB 4.32Å; F957-Q1080 HydrophobicContact CZ-CB 4.21Å; T965-Q1080 HydrophobicContact CG2-CB 4.23Å; W1003-Q1080 HydrophobicContact CZ2-CB 4.08Å; W1003-Q1080 HydrophobicContact CZ2-CG 3.9Å; L1076-Q1080 WeakPolarHBondContact O-CB 3.41Å; L1076-Q1080 PolarHBondContact O-N 3.31Å; A1077-Q1080 PolarHBondContact O-N 3.32Å; S1078-Q1080 VanDerWaalsContact C-N 3.34Å; S1078-Q1080 PolarHBondContact O-N 3.39Å; Q1080-A1082 VanDerWaalsContact C-N 3.34Å; Q1080-V1083 WeakPolarHBondContact O-CB 3.36Å; Q1080-V1083 PolarHBondContact O-N 3.25Å; Q1080-F1084 HydrophobicContact CG-CD2 3.98Å; Q1080-F1084 HydrophobicContact CG-CE2 3.66Å; Q1080-F1084 HydrophobicContact CG-CZ 4.21Å; Q1080-F1084 VanDerWaalsContact NE2-CE1 3.28Å; Q1080-F1084 WeakPolarHBondContact O-CD2 3.43Å; Q1080-F1084 PolarHBondContact O-N 3.3Å
1081L90.1Very high85.7Confident20 Ų2050.5 Ų50.511%0.10525%0.251CS..Hα-helixtrans-63.3-39.1169.6179.159.7000111.8V1004 V1007 A1077 S1078 V1083 F1084 R1085V1004-L1081 HydrophobicContact CG2-CD1 3.95Å; V1007-L1081 HydrophobicContact CB-CD2 4.24Å; V1007-L1081 HydrophobicContact CG1-CD2 4.12Å; V1007-L1081 HydrophobicContact CG2-CB 4.18Å; V1007-L1081 HydrophobicContact CG2-CD2 4.18Å; A1077-L1081 WeakPolarHBondContact O-CB 3.45Å; A1077-L1081 PolarHBondContact O-N 3.37Å; S1078-L1081 PolarHBondContact O-N 2.89Å; L1081-V1083 VanDerWaalsContact C-N 3.29Å; L1081-V1083 PolarHBondContact O-N 3Å; L1081-F1084 PolarHBondContact O-N 3.23Å; L1081-R1085 WeakPolarHBondContact O-CG 3.2Å; L1081-R1085 PolarHBondContact O-N 3.24Å
1082A85.5Confident84.6Confident47 Ų4754.3 Ų54.339%0.38827%0.272SS..Hα-helixtrans-67.3-27.8173.400000113.1S1078 C1079 Q1080 R1086S1078-A1082 PolarHBondContact O-N 3.28Å; C1079-A1082 WeakPolarHBondContact O-CB 3.39Å; C1079-A1082 PolarHBondContact O-N 2.78Å; Q1080-A1082 VanDerWaalsContact C-N 3.34Å; A1082-R1086 WeakPolarHBondContact O-CG 3.37Å
1083V87.7Confident83.6Confident15 Ų1551.9 Ų51.99%0.09127%0.266CS..Hα-helixtrans-72-50.3169.81720000110.9F957 Y958 C1079 Q1080 L1081 R1085 R1086 E1087F957-V1083 HydrophobicContact CD1-CG2 3.92Å; F957-V1083 HydrophobicContact CE1-CG2 4.09Å; Y958-V1083 HydrophobicContact CD2-CG1 3.82Å; Y958-V1083 HydrophobicContact CE2-CG1 4.26Å; Y958-V1083 HydrophobicContact CG-CG1 4.43Å; C1079-V1083 PolarHBondContact O-N 2.84Å; Q1080-V1083 WeakPolarHBondContact O-CB 3.36Å; Q1080-V1083 PolarHBondContact O-N 3.25Å; L1081-V1083 VanDerWaalsContact C-N 3.29Å; L1081-V1083 PolarHBondContact O-N 3Å; V1083-R1085 PolarHBondContact O-N 3.09Å; V1083-R1086 CarbonylContact O-C 3.49Å; V1083-R1086 WeakPolarHBondContact O-CA 3.32Å; V1083-R1086 PolarHBondContact O-N 3.46Å; V1083-E1087 PolarHBondContact O-N 2.94Å; V1083-E1087 VanDerWaalsContact O-N 3.14Å
1084F88.8Confident82.6Confident16 Ų1653.1 Ų53.17%0.0727%0.272CS..Hα-helixtrans-59.7-31179.1-76.2-43.2000113.3R1000 W1003 Q1080 L1081 R1086 E1087R1000-F1084 HydrophobicContact CB-CD1 4.14Å; R1000-F1084 HydrophobicContact CB-CE1 4.08Å; R1000-F1084 HydrophobicContact CB-CZ 4.38Å; R1000-F1084 HydrophobicContact CG-CB 4.13Å; R1000-F1084 HydrophobicContact CG-CD1 3.74Å; R1000-F1084 HydrophobicContact CG-CD2 4.5Å; R1000-F1084 HydrophobicContact CG-CE1 4.2Å; R1000-F1084 HydrophobicContact CG-CG 3.91Å; W1003-F1084 HydrophobicContact CB-CD2 4.07Å; W1003-F1084 HydrophobicContact CB-CE2 3.92Å; W1003-F1084 AromaticContact CD1-CD2 3.86Å; W1003-F1084 AromaticContact CD1-CE2 3.97Å; W1003-F1084 HydrophobicContact CD2-CD2 4.44Å; W1003-F1084 AromaticContact CD2-CE2 3.78Å; W1003-F1084 HydrophobicContact CD2-CE2 3.78Å; W1003-F1084 HydrophobicContact CE3-CE2 4.27Å; W1003-F1084 AromaticContact CG-CD2 3.84Å; W1003-F1084 HydrophobicContact CG-CD2 3.84Å; W1003-F1084 AromaticContact CG-CE2 3.59Å; W1003-F1084 HydrophobicContact CG-CE2 3.59Å; Q1080-F1084 HydrophobicContact CG-CD2 3.98Å; Q1080-F1084 HydrophobicContact CG-CE2 3.66Å; Q1080-F1084 HydrophobicContact CG-CZ 4.21Å; Q1080-F1084 VanDerWaalsContact NE2-CE1 3.28Å; Q1080-F1084 WeakPolarHBondContact O-CD2 3.43Å; Q1080-F1084 PolarHBondContact O-N 3.3Å; L1081-F1084 PolarHBondContact O-N 3.23Å; F1084-R1086 VanDerWaalsContact C-N 3.25Å; F1084-R1086 PolarHBondContact O-N 3.29Å; F1084-E1087 WeakPolarHBondContact CD1-OE2 3.46Å
1085R85.8Confident81.4Confident189 Ų18954.1 Ų54.171%0.71328%0.275SS*.THydrogen-bonded Turntrans-72.8-10172.3-72.4178.1-178.4174.92.3114.5L1081 V1083L1081-R1085 WeakPolarHBondContact O-CG 3.2Å; L1081-R1085 PolarHBondContact O-N 3.24Å; V1083-R1085 PolarHBondContact O-N 3.09Å
1086R83.7Confident80.1Confident196 Ų19657.6 Ų57.674%0.7429%0.294SS*.THydrogen-bonded Turntrans-118.96.3-179.5-66.8178.1177.8173.71.2113.1A1082 V1083 F1084A1082-R1086 WeakPolarHBondContact O-CG 3.37Å; V1083-R1086 CarbonylContact O-C 3.49Å; V1083-R1086 WeakPolarHBondContact O-CA 3.32Å; V1083-R1086 PolarHBondContact O-N 3.46Å; F1084-R1086 VanDerWaalsContact C-N 3.25Å; F1084-R1086 PolarHBondContact O-N 3.29Å
1087E79.3Confident78.7Confident25 Ų2562.6 Ų62.612%0.11732%0.321CS..  trans-90.6126.5-173.2-176.5178.5-121.700111.6R996 R1000 V1083 F1084 N1091R996-E1087 IonicContact CZ-OE1 3.77Å; R996-E1087 IonicContact NE-OE1 2.72Å; R996-E1087 PolarHBondContact NE-OE1 2.75Å; R996-E1087 IonicContact NH2-OE1 2.97Å; R996-E1087 PolarHBondContact NH2-OE1 3.39Å; R1000-E1087 IonicContact NH1-OE2 3.21Å; R1000-E1087 PolarHBondContact NH1-OE2 3.47Å; V1083-E1087 PolarHBondContact O-N 2.94Å; V1083-E1087 VanDerWaalsContact O-N 3.14Å; F1084-E1087 WeakPolarHBondContact CD1-OE2 3.46Å; E1087-N1091 HydrophobicContact CG-CB 4.37Å; E1087-N1091 VanDerWaalsContact OE1-CB 3.29Å; E1087-N1091 WeakPolarHBondContact OE1-CB 3.18Å; E1087-N1091 PolarHBondContact OE1-ND2 3.11Å
1088G72.3Confident77.3Confident46 Ų4664.5 Ų64.547%0.47434%0.341SS..  trans-101.6-145.3168.700000112.1D1090G1088-D1090 VanDerWaalsContact C-N 3.31Å; G1088-D1090 PolarHBondContact O-N 3.17Å
1089E71.1Confident76Confident173 Ų17369.5 Ų69.581%0.80837%0.367SS*.G310 helixtrans-75.7-14.7-179.2-60.4-177.816400113.9N1091 D1092E1089-N1091 PolarHBondContact O-N 3.19Å; E1089-D1092 PolarHBondContact O-N 2.85Å
1090D68.4Low75Confident110 Ų11069.4 Ų69.459%0.58836%0.363SS*.G310 helixtrans-52.5-12.8-174.2-8821.6000117.5K959 G1088K959-D1090 PolarHBondContact NZ-O 3.37Å; G1088-D1090 VanDerWaalsContact C-N 3.31Å; G1088-D1090 PolarHBondContact O-N 3.17Å
1091N73.2Confident73.9Confident5 Ų574.4 Ų74.43%0.02739%0.393CS..G310 helixtrans-119.5-0.9-170.1-79.7-15.3000114.8Y958 K959 R996 E1087 E1089Y958-N1091 PolarHBondContact O-ND2 3.06Å; K959-N1091 WeakPolarHBondContact CD-OD1 3.29Å; K959-N1091 WeakPolarHBondContact CE-OD1 3.41Å; K959-N1091 PolarHBondContact NZ-OD1 3.23Å; R996-N1091 PolarHBondContact NH2-ND2 3.26Å; E1087-N1091 HydrophobicContact CG-CB 4.37Å; E1087-N1091 VanDerWaalsContact OE1-CB 3.29Å; E1087-N1091 WeakPolarHBondContact OE1-CB 3.18Å; E1087-N1091 PolarHBondContact OE1-ND2 3.11Å; E1089-N1091 PolarHBondContact O-N 3.19Å
1092D67.3Low73Confident83 Ų8373.8 Ų73.844%0.44439%0.39SS..  trans-69.1166.4178.8-75.5-23.3000112.9E1089E1089-D1092 PolarHBondContact O-N 2.85Å
1093S72.1Confident72.5Confident38 Ų3877 Ų7727%0.26640%0.395SS..  trans-102.7166.7-171.780.50000112.3Y1095 N1096S1093-Y1095 PolarHBondContact O-N 3.38Å; S1093-Y1095 VanDerWaalsContact O-N 3.12Å; S1093-Y1095 PolarHBondContact OG-N 3.23Å; S1093-Y1095 VanDerWaalsContact OG-N 3.11Å; S1093-N1096 PolarHBondContact O-OD1 3.44Å
1094I71.8Confident71.7Confident33 Ų3380.6 Ų80.617%0.16942%0.419CS..THydrogen-bonded Turntrans-64.8-14.4171.8-57173.9000112.2F1100 W1280I1094-F1100 HydrophobicContact CG2-CE2 4.35Å; I1094-W1280 HydrophobicContact CD1-CB 4.18Å; I1094-W1280 HydrophobicContact CD1-CD2 3.52Å; I1094-W1280 HydrophobicContact CD1-CE3 3.83Å; I1094-W1280 HydrophobicContact CD1-CG 3.68Å; I1094-W1280 HydrophobicContact CD1-CZ3 4.44Å; I1094-W1280 HydrophobicContact CG1-CD2 3.83Å; I1094-W1280 HydrophobicContact CG1-CE3 4.3Å; I1094-W1280 HydrophobicContact CG1-CG 4.2Å; I1094-W1280 HydrophobicContact CG1-CH2 4.42Å; I1094-W1280 HydrophobicContact CG1-CZ2 3.97Å
1095Y68.9Low71.1Confident22 Ų2288 Ų889%0.08645%0.453CS..THydrogen-bonded Turntrans-106.932.1-164-63-111.9000112.9S1093 D1097 G1098 F1100 F1177 F1277 H1278S1093-Y1095 PolarHBondContact O-N 3.38Å; S1093-Y1095 VanDerWaalsContact O-N 3.12Å; S1093-Y1095 PolarHBondContact OG-N 3.23Å; S1093-Y1095 VanDerWaalsContact OG-N 3.11Å; Y1095-D1097 VanDerWaalsContact C-N 3.3Å; Y1095-D1097 PolarHBondContact O-N 3.35Å; Y1095-G1098 PolarHBondContact O-N 3.21Å; Y1095-F1100 HydrophobicContact CD1-CB 4.39Å; Y1095-F1100 HydrophobicContact CD1-CD2 4.02Å; Y1095-F1100 HydrophobicContact CD2-CD2 4.46Å; Y1095-F1100 HydrophobicContact CE1-CB 4.01Å; Y1095-F1100 AromaticContact CE1-CD2 3.33Å; Y1095-F1100 HydrophobicContact CE1-CD2 3.33Å; Y1095-F1100 HydrophobicContact CE1-CE2 4.07Å; Y1095-F1100 AromaticContact CE1-CG 3.97Å; Y1095-F1100 HydrophobicContact CE1-CG 3.97Å; Y1095-F1100 AromaticContact CE2-CD2 3.82Å; Y1095-F1100 HydrophobicContact CE2-CD2 3.82Å; Y1095-F1100 AromaticContact CE2-CE2 3.87Å; Y1095-F1100 HydrophobicContact CE2-CE2 3.87Å; Y1095-F1100 AromaticContact CZ-CD2 3.24Å; Y1095-F1100 AromaticContact CZ-CE2 3.48Å; Y1095-F1100 VanDerWaalsContact CZ-CE2 3.48Å; Y1095-F1100 WeakPolarHBondContact OH-CD2 3.36Å; Y1095-F1100 VanDerWaalsContact OH-CE2 3.27Å; Y1095-F1100 WeakPolarHBondContact OH-CE2 3.45Å; Y1095-F1177 AromaticContact CE1-CD1 3.72Å; Y1095-F1177 HydrophobicContact CE1-CD1 3.72Å; Y1095-F1177 AromaticContact CE1-CE1 3.91Å; Y1095-F1177 HydrophobicContact CE1-CE1 3.91Å; Y1095-F1177 AromaticContact CZ-CE1 3.89Å; Y1095-F1177 WeakPolarHBondContact OH-CE1 3.33Å; Y1095-F1277 WeakPolarHBondContact CE2-O 3.43Å; Y1095-F1277 PolarHBondContact OH-O 3.02Å; Y1095-H1278 HydrophobicContact CD2-CB 4.49Å; Y1095-H1278 AromaticContact CD2-CE1 3.8Å; Y1095-H1278 AromaticContact CD2-ND1 3.04Å; Y1095-H1278 WeakPolarHBondContact CD2-ND1 3.38Å; Y1095-H1278 HydrophobicContact CE2-CB 4.41Å; Y1095-H1278 AromaticContact CE2-ND1 3.42Å; Y1095-H1278 WeakPolarHBondContact CE2-ND1 3.35Å; Y1095-H1278 AromaticContact CG-CE1 3.76Å; Y1095-H1278 AromaticContact CG-ND1 3.47Å
1096N63Low70.8Confident95 Ų9580.3 Ų80.351%0.50843%0.427SS..THydrogen-bonded Turntrans-55.4-43.8-174.6-74.2-4.1000112.5S1093S1093-N1096 PolarHBondContact O-OD1 3.44Å
1097D62.3Low70.5Confident152 Ų15275.4 Ų75.481%0.81342%0.42SS*.THydrogen-bonded Turntrans-96.18.2-177-54.5-34.1000114.4Y1095 N1099Y1095-D1097 VanDerWaalsContact C-N 3.3Å; Y1095-D1097 PolarHBondContact O-N 3.35Å; D1097-N1099 PolarHBondContact O-N 2.88Å
1098G61.5Low70.5Confident42 Ų4277.1 Ų77.143%0.43343%0.428SS..SBendtrans75.1-21.7-178.500000116.2Y1095Y1095-G1098 PolarHBondContact O-N 3.21Å
1099N64.1Low71Confident126 Ų12678.3 Ų78.367%0.67442%0.419SS*.  trans-85.4118.4174.7-76.5-37.8000111.9D1097 V1101D1097-N1099 PolarHBondContact O-N 2.88Å; N1099-V1101 PolarHBondContact O-N 3.26Å
1100F67.7Low71.5Confident25 Ų2571.6 Ų71.611%0.1139%0.388CS..  trans-86.7104174.2-172-98.1000111.5I1094 Y1095 I1102 M1170 F1177 M1286I1094-F1100 HydrophobicContact CG2-CE2 4.35Å; Y1095-F1100 HydrophobicContact CD1-CB 4.39Å; Y1095-F1100 HydrophobicContact CD1-CD2 4.02Å; Y1095-F1100 HydrophobicContact CD2-CD2 4.46Å; Y1095-F1100 HydrophobicContact CE1-CB 4.01Å; Y1095-F1100 AromaticContact CE1-CD2 3.33Å; Y1095-F1100 HydrophobicContact CE1-CD2 3.33Å; Y1095-F1100 HydrophobicContact CE1-CE2 4.07Å; Y1095-F1100 AromaticContact CE1-CG 3.97Å; Y1095-F1100 HydrophobicContact CE1-CG 3.97Å; Y1095-F1100 AromaticContact CE2-CD2 3.82Å; Y1095-F1100 HydrophobicContact CE2-CD2 3.82Å; Y1095-F1100 AromaticContact CE2-CE2 3.87Å; Y1095-F1100 HydrophobicContact CE2-CE2 3.87Å; Y1095-F1100 AromaticContact CZ-CD2 3.24Å; Y1095-F1100 AromaticContact CZ-CE2 3.48Å; Y1095-F1100 VanDerWaalsContact CZ-CE2 3.48Å; Y1095-F1100 WeakPolarHBondContact OH-CD2 3.36Å; Y1095-F1100 VanDerWaalsContact OH-CE2 3.27Å; Y1095-F1100 WeakPolarHBondContact OH-CE2 3.45Å; F1100-I1102 HydrophobicContact CD1-CG1 4.32Å; F1100-I1102 HydrophobicContact CE1-CG1 3.74Å; F1100-M1170 HydrophobicContact CD1-CE 3.56Å; F1100-M1170 HydrophobicContact CE1-CE 4.12Å; F1100-F1177 HydrophobicContact CB-CB 4.06Å; F1100-F1177 HydrophobicContact CD1-CB 4.1Å; F1100-F1177 HydrophobicContact CD1-CG 4.42Å; F1100-F1177 HydrophobicContact CG-CB 4.22Å; F1100-F1177 HydrophobicContact CG-CG 4.49Å; F1100-M1286 HydrophobicContact CE1-CE 3.95Å; F1100-M1286 HydrophobicContact CE1-SD 3.75Å; F1100-M1286 HydrophobicContact CZ-SD 3.91Å
1101V67.2Low72.4Confident104 Ų10466.3 Ų66.363%0.6336%0.36SS*.  trans-105.8120.8173.9-177.90000109.1N1099 K1103N1099-V1101 PolarHBondContact O-N 3.26Å; V1101-K1103 PolarHBondContact O-N 3.4Å
1102I72.2Confident72.9Confident8 Ų867.1 Ų67.14%0.04136%0.364CS..  trans-69101.6173.4-59.8177.9000107.8F1100 M1170 Q1283 M1286F1100-I1102 HydrophobicContact CD1-CG1 4.32Å; F1100-I1102 HydrophobicContact CE1-CG1 3.74Å; I1102-M1170 HydrophobicContact CD1-SD 3.7Å; I1102-M1170 HydrophobicContact CG1-SD 4.31Å; I1102-Q1283 HydrophobicContact CG2-CG 3.95Å; I1102-M1286 HydrophobicContact CD1-CE 4.43Å
1103K73.3Confident73.4Confident115 Ų11565.9 Ų65.950%0.536%0.358SS..  trans-68.4126.6176.1-64.6-168.9179.5-172.50109.4V1101 E1105 W1280 Q1283V1101-K1103 PolarHBondContact O-N 3.4Å; K1103-E1105 PolarHBondContact O-N 3.41Å; K1103-W1280 HydrophobicContact CD-CH2 4.27Å; K1103-W1280 HydrophobicContact CD-CZ3 4.35Å; K1103-Q1283 PolarHBondContact O-NE2 2.91Å
1104P72.4Confident73.5Confident90 Ų9066.8 Ų66.858%0.58436%0.362SS*.SBendtrans-60.6-32.6178.722.9-32000112.1
1105E75.2Confident73.8Confident170 Ų17069.4 Ų69.479%0.79437%0.372SS*.SBendtrans-97.7113.5172.4-61.5-174.2163.700110.9K1103K1103-E1105 PolarHBondContact O-N 3.41Å
1106N79.4Confident74.1Confident29 Ų2976 Ų7616%0.15540%0.401CS..  trans-99.1130171.7-173.7-17.6000108.8Q1108 W1280 H1284N1106-Q1108 PolarHBondContact O-N 3.38Å; N1106-Q1108 VanDerWaalsContact O-N 3.11Å; N1106-Q1108 PolarHBondContact OD1-N 2.96Å; N1106-Q1108 VanDerWaalsContact OD1-N 3.09Å; N1106-W1280 PolarHBondContact ND2-O 3.16Å; N1106-H1284 PolarHBondContact ND2-CD2 3.02Å; N1106-H1284 PolarHBondContact ND2-NE2 3.45Å; N1106-H1284 VanDerWaalsContact ND2-NE2 3.13Å
1107P77.5Confident74.7Confident93 Ų9372.6 Ų72.660%0.60439%0.385SS*.SBendtrans-63.5-13.5177.425.8-36.3000114.3W1280P1107-W1280 HydrophobicContact CG-CD2 4.13Å; P1107-W1280 HydrophobicContact CG-CE3 4.14Å; P1107-W1280 HydrophobicContact CG-CZ3 4.39Å
1108Q79Confident75.5Confident61 Ų6173.5 Ų73.529%0.28538%0.378SS..SBendtrans-105.2138.8174.6-60.5-62.2-2300111.5N1106 W1280 Y1281 H1284N1106-Q1108 PolarHBondContact O-N 3.38Å; N1106-Q1108 VanDerWaalsContact O-N 3.11Å; N1106-Q1108 PolarHBondContact OD1-N 2.96Å; N1106-Q1108 VanDerWaalsContact OD1-N 3.09Å; Q1108-W1280 HydrophobicContact CG-CB 4.4Å; Q1108-Y1281 HydrophobicContact CB-CD1 4.43Å; Q1108-Y1281 HydrophobicContact CB-CE1 3.94Å; Q1108-Y1281 HydrophobicContact CG-CE1 3.97Å; Q1108-H1284 PolarHBondContact O-NE2 3.47Å
1109Y83.7Confident76.6Confident70 Ų7072.1 Ų72.128%0.27536%0.361SS..  trans-67.7153.6179.767-90.1000112.9F1111 D1120Y1109-F1111 HydrophobicContact CE2-CB 4.22Å; Y1109-F1111 PolarHBondContact O-N 3.11Å; Y1109-D1120 PolarHBondContact OH-OD1 2.9Å; Y1109-D1120 PolarHBondContact OH-OD2 3.43Å
1110D82Confident77.6Confident32 Ų3266.1 Ų66.117%0.17133%0.329CS..  trans-71.3102.5176.2-167.9-32.1000110.7I1112 D1113 T1114 H1284 K1507D1110-I1112 VanDerWaalsContact C-N 3.34Å; D1110-I1112 WeakPolarHBondContact OD1-CA 3.09Å; D1110-I1112 VanDerWaalsContact OD1-CB 3.29Å; D1110-I1112 WeakPolarHBondContact OD1-CB 3.41Å; D1110-I1112 PolarHBondContact OD1-N 2.99Å; D1110-D1113 PolarHBondContact OD1-N 3.1Å; D1110-T1114 PolarHBondContact O-N 2.95Å; D1110-T1114 PolarHBondContact O-OG1 3.25Å; D1110-H1284 IonicContact OD2-ND1 3.75Å; D1110-H1284 PolarHBondContact OD2-ND1 3.45Å; D1110-K1507 IonicContact OD2-NZ 2.78Å
1111F87.3Confident78.2Confident0 Ų069.8 Ų69.80%034%0.343CS..THydrogen-bonded Turntrans-80.6-9.9177.964.8-87.1000113.5Y1109 K1115 D1120 K1123 F1127 Y1281 H1284Y1109-F1111 HydrophobicContact CE2-CB 4.22Å; Y1109-F1111 PolarHBondContact O-N 3.11Å; F1111-K1115 VanDerWaalsContact O-CG 3.28Å; F1111-K1115 WeakPolarHBondContact O-CG 3.37Å; F1111-D1120 HydrophobicContact CB-CB 4.17Å; F1111-K1123 HydrophobicContact CB-CD 4.43Å; F1111-K1123 HydrophobicContact CD2-CB 3.79Å; F1111-K1123 HydrophobicContact CE2-CB 4.08Å; F1111-K1123 HydrophobicContact CG-CB 4.25Å; F1111-K1123 HydrophobicContact CG-CD 4.35Å; F1111-F1127 HydrophobicContact CE2-CB 4.43Å; F1111-F1127 HydrophobicContact CZ-CB 4.05Å; F1111-F1127 HydrophobicContact CZ-CD2 4.26Å; F1111-F1127 HydrophobicContact CZ-CG 4.47Å; F1111-Y1281 AromaticContact CD1-CD1 3.87Å; F1111-Y1281 HydrophobicContact CD1-CD1 3.87Å; F1111-Y1281 AromaticContact CE1-CD1 3.74Å; F1111-Y1281 HydrophobicContact CE1-CD1 3.74Å; F1111-Y1281 HydrophobicContact CE1-CG 4.2Å; F1111-Y1281 WeakPolarHBondContact CE1-O 3.47Å; F1111-H1284 HydrophobicContact CE1-CB 4.21Å
1112I83.9Confident79Confident21 Ų2171.3 Ų71.311%0.10834%0.341CS..THydrogen-bonded Turntrans-80.1-47.8177.1-55.3178.8000108.9D1110 K1115 H1284 C1285 E1288D1110-I1112 VanDerWaalsContact C-N 3.34Å; D1110-I1112 WeakPolarHBondContact OD1-CA 3.09Å; D1110-I1112 VanDerWaalsContact OD1-CB 3.29Å; D1110-I1112 WeakPolarHBondContact OD1-CB 3.41Å; D1110-I1112 PolarHBondContact OD1-N 2.99Å; I1112-K1115 WeakPolarHBondContact O-CE 3.43Å; I1112-H1284 HydrophobicContact CD1-CB 4.02Å; I1112-C1285 HydrophobicContact CD1-CB 4.38Å; I1112-E1288 HydrophobicContact CD1-CB 4.3Å; I1112-E1288 HydrophobicContact CG2-CG 4.47Å
1113D77.4Confident79.8Confident58 Ų5871.6 Ų71.631%0.3134%0.342SS..THydrogen-bonded Turntrans-83.3-40.6179.4-69.7-6.1000112.2D1110 K1507D1110-D1113 PolarHBondContact OD1-N 3.1Å; D1113-K1507 IonicContact OD1-NZ 3.45Å; D1113-K1507 PolarHBondContact OD1-NZ 3.38Å; D1113-K1507 WeakPolarHBondContact OD2-CD 3.3Å; D1113-K1507 IonicContact OD2-NZ 3.97Å; D1113-K1507 PolarHBondContact OD2-NZ 2.75Å
1114T74Confident80.4Confident57 Ų5766.6 Ų66.635%0.3532%0.321SS..  trans-110.476.2-176.669.40000112.6D1110 K1116D1110-T1114 PolarHBondContact O-N 2.95Å; D1110-T1114 PolarHBondContact O-OG1 3.25Å; T1114-K1116 PolarHBondContact O-N 3.13Å; T1114-K1116 VanDerWaalsContact O-N 3.08Å
1115K77.8Confident81Confident87 Ų8767.6 Ų67.638%0.37832%0.317SS..  trans-75.791.4177.5-64.1178.1-172.7-178.40111.2F1111 I1112 D1120 Y1121F1111-K1115 VanDerWaalsContact O-CG 3.28Å; F1111-K1115 WeakPolarHBondContact O-CG 3.37Å; I1112-K1115 WeakPolarHBondContact O-CE 3.43Å; K1115-D1120 HydrophobicContact CB-CB 4.49Å; K1115-Y1121 HydrophobicContact CB-CD2 4.46Å; K1115-Y1121 HydrophobicContact CB-CE2 3.91Å; K1115-Y1121 HydrophobicContact CD-CD1 4.21Å; K1115-Y1121 HydrophobicContact CD-CE1 3.84Å; K1115-Y1121 HydrophobicContact CD-CE2 4.31Å
1116K75.3Confident81.6Confident161 Ų16161.5 Ų61.570%0.729%0.291SS*.  trans-90.8-33.6-176.9-64.9173.8-174.3171.90112.9T1114 D1120T1114-K1116 PolarHBondContact O-N 3.13Å; T1114-K1116 VanDerWaalsContact O-N 3.08Å; K1116-D1120 WeakPolarHBondContact CA-OD2 3.36Å; K1116-D1120 PolarHBondContact N-OD2 3.44Å
1117S75.7Confident82.1Confident23 Ų2361.5 Ų61.516%0.16129%0.29CS..SBendtrans-125.1156.2-172.7-179.90000111.5V1119 D1120S1117-V1119 PolarHBondContact O-N 3.4Å; S1117-V1119 PolarHBondContact OG-N 2.98Å; S1117-D1120 PolarHBondContact N-OD2 2.89Å; S1117-D1120 WeakPolarHBondContact O-CB 3.42Å; S1117-D1120 PolarHBondContact O-N 3.15Å
1118Y78.2Confident82.5Confident171 Ų17157.6 Ų57.667%0.67126%0.263SS*.Hα-helixtrans-59.1-25.6166.6-73.3-77.8000112.1D1120 Y1121 F1122Y1118-D1120 VanDerWaalsContact C-N 3.26Å; Y1118-D1120 PolarHBondContact O-N 3.25Å; Y1118-Y1121 PolarHBondContact O-N 3.31Å; Y1118-F1122 PolarHBondContact O-N 2.83Å
1119V84.3Confident82.8Confident13 Ų1359.2 Ų59.28%0.07927%0.268CS..Hα-helixtrans-62.7-32.8171.9-177.80000111.1S1117 F1122 K1123S1117-V1119 PolarHBondContact O-N 3.4Å; S1117-V1119 PolarHBondContact OG-N 2.98Å; V1119-F1122 PolarHBondContact O-N 3.2Å; V1119-K1123 HydrophobicContact CG1-CG 4.47Å; V1119-K1123 WeakPolarHBondContact O-CG 3.29Å; V1119-K1123 PolarHBondContact O-N 3.44Å
1120D85.8Confident83Confident0 Ų056.3 Ų56.30%026%0.259CS..Hα-helixtrans-71-34.4178-59.3-38.2000112.4Y1109 F1111 K1115 K1116 S1117 Y1118 K1123 S1124Y1109-D1120 PolarHBondContact OH-OD1 2.9Å; Y1109-D1120 PolarHBondContact OH-OD2 3.43Å; F1111-D1120 HydrophobicContact CB-CB 4.17Å; K1115-D1120 HydrophobicContact CB-CB 4.49Å; K1116-D1120 WeakPolarHBondContact CA-OD2 3.36Å; K1116-D1120 PolarHBondContact N-OD2 3.44Å; S1117-D1120 PolarHBondContact N-OD2 2.89Å; S1117-D1120 WeakPolarHBondContact O-CB 3.42Å; S1117-D1120 PolarHBondContact O-N 3.15Å; Y1118-D1120 VanDerWaalsContact C-N 3.26Å; Y1118-D1120 PolarHBondContact O-N 3.25Å; D1120-K1123 PolarHBondContact O-N 2.97Å; D1120-S1124 VanDerWaalsContact O-CB 3.29Å; D1120-S1124 WeakPolarHBondContact O-CB 3.44Å; D1120-S1124 PolarHBondContact O-N 2.96Å
1121Y80.9Confident83.2Confident103 Ų10354.9 Ų54.940%0.40425%0.251SS..Hα-helixtrans-64.9-41171-74.4-92.6000111.2K1115 Y1118 S1124 F1125K1115-Y1121 HydrophobicContact CB-CD2 4.46Å; K1115-Y1121 HydrophobicContact CB-CE2 3.91Å; K1115-Y1121 HydrophobicContact CD-CD1 4.21Å; K1115-Y1121 HydrophobicContact CD-CE1 3.84Å; K1115-Y1121 HydrophobicContact CD-CE2 4.31Å; Y1118-Y1121 PolarHBondContact O-N 3.31Å; Y1121-S1124 PolarHBondContact O-N 3.3Å; Y1121-F1125 PolarHBondContact O-N 2.94Å
1122F84Confident83.2Confident136 Ų13657.3 Ų57.360%0.59626%0.26SS*.Hα-helixtrans-66.7-42.8175.4-173.7-104.4000112.2Y1118 V1119 S1124 F1125 V1126Y1118-F1122 PolarHBondContact O-N 2.83Å; V1119-F1122 PolarHBondContact O-N 3.2Å; F1122-S1124 VanDerWaalsContact C-N 3.35Å; F1122-S1124 PolarHBondContact O-N 3.05Å; F1122-F1125 WeakPolarHBondContact O-CB 3.34Å; F1122-F1125 PolarHBondContact O-N 3.26Å; F1122-V1126 HydrophobicContact CD1-CG2 4.39Å; F1122-V1126 HydrophobicContact CE1-CG2 4Å; F1122-V1126 HydrophobicContact CE2-CG2 4.41Å; F1122-V1126 HydrophobicContact CZ-CG2 4.01Å; F1122-V1126 WeakPolarHBondContact O-CG2 3.21Å; F1122-V1126 PolarHBondContact O-N 3.47Å
1123K88.1Confident83.4Confident13 Ų1359.4 Ų59.46%0.05727%0.271CS..Hα-helixtrans-56.6-47169.9-74.8176.2174.6-177.90111.4D942 F1111 V1119 D1120 F1125 V1126 F1127 Y1281D942-K1123 WeakPolarHBondContact OD1-CE 3.47Å; D942-K1123 IonicContact OD1-NZ 2.89Å; D942-K1123 PolarHBondContact OD1-NZ 3.14Å; D942-K1123 IonicContact OD2-NZ 3.66Å; D942-K1123 PolarHBondContact OD2-NZ 3.28Å; F1111-K1123 HydrophobicContact CB-CD 4.43Å; F1111-K1123 HydrophobicContact CD2-CB 3.79Å; F1111-K1123 HydrophobicContact CE2-CB 4.08Å; F1111-K1123 HydrophobicContact CG-CB 4.25Å; F1111-K1123 HydrophobicContact CG-CD 4.35Å; V1119-K1123 HydrophobicContact CG1-CG 4.47Å; V1119-K1123 WeakPolarHBondContact O-CG 3.29Å; V1119-K1123 PolarHBondContact O-N 3.44Å; D1120-K1123 PolarHBondContact O-N 2.97Å; K1123-F1125 VanDerWaalsContact C-N 3.31Å; K1123-F1125 PolarHBondContact O-N 3.34Å; K1123-V1126 PolarHBondContact O-N 3.37Å; K1123-F1127 HydrophobicContact CB-CD2 3.99Å; K1123-F1127 HydrophobicContact CB-CE2 4.27Å; K1123-F1127 HydrophobicContact CG-CD2 4.39Å; K1123-F1127 HydrophobicContact CG-CE2 4.16Å; K1123-F1127 WeakPolarHBondContact O-CB 3.49Å; K1123-F1127 VanDerWaalsContact O-CD2 3.23Å; K1123-F1127 WeakPolarHBondContact O-CD2 3.33Å; K1123-F1127 PolarHBondContact O-N 3.25Å; K1123-Y1281 HydrophobicContact CD-CE1 4.28Å; K1123-Y1281 PolarHBondContact NZ-OH 3.39Å
1124S85.6Confident84Confident10 Ų1056.9 Ų56.97%0.0726%0.258CS..Hα-helixtrans-58.6-41.8176.7-175.60000111.7D1120 Y1121 F1122 H1128D1120-S1124 VanDerWaalsContact O-CB 3.29Å; D1120-S1124 WeakPolarHBondContact O-CB 3.44Å; D1120-S1124 PolarHBondContact O-N 2.96Å; Y1121-S1124 PolarHBondContact O-N 3.3Å; F1122-S1124 VanDerWaalsContact C-N 3.35Å; F1122-S1124 PolarHBondContact O-N 3.05Å; S1124-H1128 WeakPolarHBondContact O-CB 3.43Å; S1124-H1128 PolarHBondContact O-N 3.07Å; S1124-H1128 VanDerWaalsContact O-N 3.11Å
1125F85.7Confident84.7Confident112 Ų11254.4 Ų54.449%0.49124%0.243SC..Iπ-helixtrans-61.6-52.9174.5-178.3-104000112.5Y1121 F1122 K1123 Y1129 G1130 I1133Y1121-F1125 PolarHBondContact O-N 2.94Å; F1122-F1125 WeakPolarHBondContact O-CB 3.34Å; F1122-F1125 PolarHBondContact O-N 3.26Å; K1123-F1125 VanDerWaalsContact C-N 3.31Å; K1123-F1125 PolarHBondContact O-N 3.34Å; F1125-Y1129 HydrophobicContact CD2-CD2 4.46Å; F1125-Y1129 PolarHBondContact O-N 3.35Å; F1125-G1130 PolarHBondContact O-N 2.65Å; F1125-I1133 HydrophobicContact CE1-CD1 4.2Å; F1125-I1133 HydrophobicContact CE2-CD1 4.38Å; F1125-I1133 HydrophobicContact CZ-CD1 3.76Å
1126V87.8Confident85.1Confident42 Ų4252.9 Ų52.926%0.25524%0.238SC..Iπ-helixtrans-66-51.1-176.8175.90000112.2F1122 K1123 G1130 I1276F1122-V1126 HydrophobicContact CD1-CG2 4.39Å; F1122-V1126 HydrophobicContact CE1-CG2 4Å; F1122-V1126 HydrophobicContact CE2-CG2 4.41Å; F1122-V1126 HydrophobicContact CZ-CG2 4.01Å; F1122-V1126 WeakPolarHBondContact O-CG2 3.21Å; F1122-V1126 PolarHBondContact O-N 3.47Å; K1123-V1126 PolarHBondContact O-N 3.37Å; V1126-G1130 WeakPolarHBondContact O-CA 3.41Å; V1126-G1130 PolarHBondContact O-N 3.22Å; V1126-I1276 HydrophobicContact CG1-CD1 3.77Å; V1126-I1276 HydrophobicContact CG1-CG1 4.44Å
1127F89.3Confident85.7Confident28 Ų2846.1 Ų46.112%0.12321%0.21CC..Iπ-helixtrans-82-33.7-171-65.9-66.1000114F1111 K1123 I1276 Y1281F1111-F1127 HydrophobicContact CE2-CB 4.43Å; F1111-F1127 HydrophobicContact CZ-CB 4.05Å; F1111-F1127 HydrophobicContact CZ-CD2 4.26Å; F1111-F1127 HydrophobicContact CZ-CG 4.47Å; K1123-F1127 HydrophobicContact CB-CD2 3.99Å; K1123-F1127 HydrophobicContact CB-CE2 4.27Å; K1123-F1127 HydrophobicContact CG-CD2 4.39Å; K1123-F1127 HydrophobicContact CG-CE2 4.16Å; K1123-F1127 WeakPolarHBondContact O-CB 3.49Å; K1123-F1127 VanDerWaalsContact O-CD2 3.23Å; K1123-F1127 WeakPolarHBondContact O-CD2 3.33Å; K1123-F1127 PolarHBondContact O-N 3.25Å; F1127-I1276 HydrophobicContact CD1-CB 4.49Å; F1127-I1276 HydrophobicContact CD1-CG1 4.19Å; F1127-I1276 HydrophobicContact CD1-CG2 3.92Å; F1127-I1276 HydrophobicContact CE1-CG1 4.01Å; F1127-I1276 HydrophobicContact CE1-CG2 4.43Å; F1127-Y1281 HydrophobicContact CD2-CD2 4.32Å; F1127-Y1281 HydrophobicContact CD2-CG 4.03Å; F1127-Y1281 HydrophobicContact CE1-CD2 4.1Å; F1127-Y1281 HydrophobicContact CE1-CG 4.44Å; F1127-Y1281 AromaticContact CE2-CD2 3.51Å; F1127-Y1281 HydrophobicContact CE2-CD2 3.51Å; F1127-Y1281 HydrophobicContact CE2-CE2 4.32Å; F1127-Y1281 AromaticContact CE2-CG 3.67Å; F1127-Y1281 HydrophobicContact CE2-CG 3.67Å; F1127-Y1281 AromaticContact CZ-CD2 3.39Å; F1127-Y1281 HydrophobicContact CZ-CD2 3.39Å; F1127-Y1281 HydrophobicContact CZ-CE2 4.28Å; F1127-Y1281 AromaticContact CZ-CG 3.92Å; F1127-Y1281 HydrophobicContact CZ-CG 3.92Å
1128H86Confident86.4Confident11 Ų1145 Ų455%0.05120%0.203CC..Iπ-helixtrans-88.7-46.6-178.1-170.571.7000112S1124 H1131 Y1289S1124-H1128 WeakPolarHBondContact O-CB 3.43Å; S1124-H1128 PolarHBondContact O-N 3.07Å; S1124-H1128 VanDerWaalsContact O-N 3.11Å; H1128-H1131 PolarHBondContact O-CE1 3.37Å; H1128-H1131 VanDerWaalsContact O-CE1 3.25Å; H1128-H1131 PolarHBondContact O-ND1 2.93Å; H1128-Y1289 AromaticContact CE1-CE1 3.4Å; H1128-Y1289 WeakPolarHBondContact CE1-CE1 3.35Å; H1128-Y1289 AromaticContact CE1-CZ 3.85Å; H1128-Y1289 AromaticContact ND1-CE1 3.83Å; H1128-Y1289 AromaticContact ND1-CZ 3.79Å; H1128-Y1289 PolarHBondContact ND1-OH 2.91Å; H1128-Y1289 PolarHBondContact O-OH 2.89Å; H1128-Y1289 VanDerWaalsContact O-OH 3.09Å
1129Y86.7Confident86.9Confident96 Ų9637.5 Ų37.538%0.37617%0.174SC..Iπ-helixtrans-95.9-15.5-175.3-61-59.7000114.9F1125 H1131 W1132F1125-Y1129 HydrophobicContact CD2-CD2 4.46Å; F1125-Y1129 PolarHBondContact O-N 3.35Å; Y1129-H1131 PolarHBondContact O-N 3.48Å; Y1129-H1131 VanDerWaalsContact O-N 3.08Å; Y1129-W1132 PolarHBondContact O-N 3.03Å
1130G86.9Confident87Confident9 Ų938.9 Ų38.99%0.09319%0.187CC..Hα-helixtrans-53.4-33.8-175.100000115.2F1125 V1126 W1132 I1133 T1134F1125-G1130 PolarHBondContact O-N 2.65Å; V1126-G1130 WeakPolarHBondContact O-CA 3.41Å; V1126-G1130 PolarHBondContact O-N 3.22Å; G1130-W1132 PolarHBondContact O-N 3.46Å; G1130-I1133 WeakPolarHBondContact O-CB 3.4Å; G1130-I1133 PolarHBondContact O-N 3.38Å; G1130-I1133 VanDerWaalsContact O-N 3.11Å; G1130-T1134 WeakPolarHBondContact O-CG2 3.41Å; G1130-T1134 PolarHBondContact O-N 2.93Å
1131H86.7Confident86.9Confident2 Ų239.3 Ų39.31%0.00919%0.19CC..Hα-helixtrans-64-37.2179.273.2-89.3000113.4H1128 Y1129 I1133 T1134 L1135 Y1168 Y1289H1128-H1131 PolarHBondContact O-CE1 3.37Å; H1128-H1131 VanDerWaalsContact O-CE1 3.25Å; H1128-H1131 PolarHBondContact O-ND1 2.93Å; Y1129-H1131 PolarHBondContact O-N 3.48Å; Y1129-H1131 VanDerWaalsContact O-N 3.08Å; H1131-I1133 VanDerWaalsContact C-N 3.33Å; H1131-T1134 WeakPolarHBondContact CA-OG1 3.35Å; H1131-T1134 PolarHBondContact O-N 2.59Å; H1131-T1134 PolarHBondContact O-OG1 2.97Å; H1131-L1135 PolarHBondContact O-N 3.42Å; H1131-Y1168 WeakPolarHBondContact CB-OH 3.38Å; H1131-Y1168 AromaticContact CD2-CE2 3.51Å; H1131-Y1168 AromaticContact CD2-CZ 3.82Å; H1131-Y1168 PolarHBondContact CD2-OH 3.48Å; H1131-Y1168 AromaticContact CG-CE2 3.93Å; H1131-Y1168 AromaticContact CG-CZ 3.97Å; H1131-Y1168 AromaticContact NE2-CE2 3.55Å; H1131-Y1289 PolarHBondContact CE1-OH 3.4Å; H1131-Y1289 VanDerWaalsContact CE1-OH 3.28Å
1132W87.7Confident87.1Confident50 Ų5034.4 Ų34.419%0.18917%0.171CC..Hα-helixtrans-64-40.8173.3-65.8103.3000110.8Y1129 G1130 T1134 L1135 M1136 L1161 N1165Y1129-W1132 PolarHBondContact O-N 3.03Å; G1130-W1132 PolarHBondContact O-N 3.46Å; W1132-T1134 VanDerWaalsContact C-N 3.32Å; W1132-T1134 PolarHBondContact O-N 3.13Å; W1132-L1135 PolarHBondContact O-N 3.16Å; W1132-M1136 VanDerWaalsContact O-CE 3.26Å; W1132-M1136 WeakPolarHBondContact O-CE 3.46Å; W1132-M1136 PolarHBondContact O-N 3.17Å; W1132-M1136 VanDerWaalsContact O-SD 3.39Å; W1132-L1161 HydrophobicContact CE3-CD1 3.92Å; W1132-L1161 HydrophobicContact CZ3-CD1 3.58Å; W1132-L1161 HydrophobicContact CZ3-CG 4.45Å; W1132-N1165 WeakPolarHBondContact CZ2-OD1 3.44Å
1133I87.7Confident87.2Confident66 Ų6630.3 Ų30.334%0.33816%0.155SC..Hα-helixtrans-60.7-42.1177.2-56.5176.1000110.6F1125 G1130 H1131 M1136 S1137 F1269F1125-I1133 HydrophobicContact CE1-CD1 4.2Å; F1125-I1133 HydrophobicContact CE2-CD1 4.38Å; F1125-I1133 HydrophobicContact CZ-CD1 3.76Å; G1130-I1133 WeakPolarHBondContact O-CB 3.4Å; G1130-I1133 PolarHBondContact O-N 3.38Å; G1130-I1133 VanDerWaalsContact O-N 3.11Å; H1131-I1133 VanDerWaalsContact C-N 3.33Å; I1133-M1136 WeakPolarHBondContact O-CB 3.38Å; I1133-M1136 PolarHBondContact O-N 2.59Å; I1133-S1137 PolarHBondContact O-N 2.81Å; I1133-F1269 HydrophobicContact CG2-CE1 4.27Å
1134T90.1Very high86.7Confident4 Ų431.9 Ų31.93%0.02517%0.17CC..Hα-helixtrans-68.7-35.4177.862.20000113.7G1130 H1131 W1132 M1136 S1137 T1138 W1184 F1269 Q1273G1130-T1134 WeakPolarHBondContact O-CG2 3.41Å; G1130-T1134 PolarHBondContact O-N 2.93Å; H1131-T1134 WeakPolarHBondContact CA-OG1 3.35Å; H1131-T1134 PolarHBondContact O-N 2.59Å; H1131-T1134 PolarHBondContact O-OG1 2.97Å; W1132-T1134 VanDerWaalsContact C-N 3.32Å; W1132-T1134 PolarHBondContact O-N 3.13Å; T1134-M1136 VanDerWaalsContact C-N 3.3Å; T1134-S1137 PolarHBondContact O-N 2.74Å; T1134-T1138 PolarHBondContact O-N 2.97Å; T1134-T1138 PolarHBondContact O-OG1 2.88Å; T1134-W1184 VanDerWaalsContact OG1-CH2 3.25Å; T1134-W1184 WeakPolarHBondContact OG1-CH2 3.07Å; T1134-F1269 HydrophobicContact CG2-CB 3.9Å; T1134-F1269 HydrophobicContact CG2-CD1 4.23Å; T1134-F1269 HydrophobicContact CG2-CG 4.47Å; T1134-Q1273 HydrophobicContact CG2-CB 3.7Å; T1134-Q1273 HydrophobicContact CG2-CG 3.94Å
1135L88.9Confident86.2Confident6 Ų631.9 Ų31.93%0.03117%0.172CC..Hα-helixtrans-65.7-34.3170.3-69.8177.5000111.7H1131 W1132 T1138 L1139 M1160 W1184H1131-L1135 PolarHBondContact O-N 3.42Å; W1132-L1135 PolarHBondContact O-N 3.16Å; L1135-T1138 WeakPolarHBondContact CA-OG1 3.44Å; L1135-T1138 PolarHBondContact O-OG1 3.24Å; L1135-T1138 VanDerWaalsContact O-OG1 3.1Å; L1135-L1139 WeakPolarHBondContact O-CB 3.1Å; L1135-L1139 PolarHBondContact O-N 3.4Å; L1135-M1160 HydrophobicContact CD1-CB 4.31Å; L1135-M1160 HydrophobicContact CD2-CB 3.76Å; L1135-M1160 HydrophobicContact CD2-CG 4.35Å; L1135-W1184 HydrophobicContact CD2-CH2 3.81Å; L1135-W1184 HydrophobicContact CD2-CZ2 4.3Å; L1135-W1184 HydrophobicContact CG-CH2 3.99Å; L1135-W1184 HydrophobicContact CG-CZ2 4.45Å
1136M85.6Confident85.9Confident55 Ų5527.9 Ų27.927%0.27116%0.157SC..Hα-helixtrans-68.6-41.4174.8-101.785.3-67.200111.4W1132 I1133 T1134 T1138 L1139 A1140 L1161 F1678W1132-M1136 VanDerWaalsContact O-CE 3.26Å; W1132-M1136 WeakPolarHBondContact O-CE 3.46Å; W1132-M1136 PolarHBondContact O-N 3.17Å; W1132-M1136 VanDerWaalsContact O-SD 3.39Å; I1133-M1136 WeakPolarHBondContact O-CB 3.38Å; I1133-M1136 PolarHBondContact O-N 2.59Å; T1134-M1136 VanDerWaalsContact C-N 3.3Å; M1136-T1138 VanDerWaalsContact C-N 3.33Å; M1136-T1138 PolarHBondContact O-N 3.35Å; M1136-L1139 PolarHBondContact O-N 3.25Å; M1136-A1140 WeakPolarHBondContact O-CB 3.45Å; M1136-A1140 PolarHBondContact O-N 2.89Å; M1136-L1161 HydrophobicContact CE-CD1 4.05Å; M1136-F1678 HydrophobicContact CE-CD1 4.01Å; M1136-F1678 HydrophobicContact CE-CE1 3.15Å; M1136-F1678 HydrophobicContact CE-CE2 4.47Å; M1136-F1678 HydrophobicContact CE-CZ 3.43Å; M1136-F1678 VanDerWaalsContact CE-CZ 3.43Å; M1136-F1678 HydrophobicContact CG-CE1 4.16Å; M1136-F1678 HydrophobicContact CG-CE2 3.76Å; M1136-F1678 HydrophobicContact CG-CZ 3.55Å; M1136-F1678 HydrophobicContact SD-CD1 3.96Å; M1136-F1678 HydrophobicContact SD-CE1 3.54Å; M1136-F1678 VanDerWaalsContact SD-CE1 3.54Å; M1136-F1678 HydrophobicContact SD-CE2 4.11Å; M1136-F1678 HydrophobicContact SD-CG 4.46Å; M1136-F1678 HydrophobicContact SD-CZ 3.6Å; M1136-F1678 VanDerWaalsContact SD-CZ 3.6Å
1137S88.6Confident85.7Confident18 Ų1826 Ų2613%0.12615%0.146CC..Hα-helixtrans-63.1-38175.8-172.90000112.5I1133 T1134 A1141 F1269I1133-S1137 PolarHBondContact O-N 2.81Å; T1134-S1137 PolarHBondContact O-N 2.74Å; S1137-A1141 PolarHBondContact O-N 3.45Å; S1137-F1269 WeakPolarHBondContact OG-CD2 3.33Å
1138T89.8Confident85.6Confident1 Ų127.9 Ų27.91%0.00616%0.157CC..Hα-helixtrans-75.8-32.5177.442.30000112T1134 L1135 M1136 A1141 G1142 T1157 L1187 A1266 L1270T1134-T1138 PolarHBondContact O-N 2.97Å; T1134-T1138 PolarHBondContact O-OG1 2.88Å; L1135-T1138 WeakPolarHBondContact CA-OG1 3.44Å; L1135-T1138 PolarHBondContact O-OG1 3.24Å; L1135-T1138 VanDerWaalsContact O-OG1 3.1Å; M1136-T1138 VanDerWaalsContact C-N 3.33Å; M1136-T1138 PolarHBondContact O-N 3.35Å; T1138-A1141 PolarHBondContact O-N 3.19Å; T1138-G1142 PolarHBondContact O-N 3.4Å; T1138-T1157 VanDerWaalsContact OG1-CG2 3.24Å; T1138-T1157 WeakPolarHBondContact OG1-CG2 3.45Å; T1138-L1187 HydrophobicContact CG2-CD2 4.21Å; T1138-A1266 HydrophobicContact CG2-CB 4.11Å; T1138-L1270 HydrophobicContact CG2-CD1 4.31Å; T1138-L1270 HydrophobicContact CG2-CG 4.48Å
1139L89.1Confident85.8Confident12 Ų1228.2 Ų28.26%0.06316%0.158CC..Hα-helixtrans-68.3-40.6172-174.772.6000110.4L1135 M1136 A1141 G1142 I1143 I1154 T1157 I1674 F1678L1135-L1139 WeakPolarHBondContact O-CB 3.1Å; L1135-L1139 PolarHBondContact O-N 3.4Å; M1136-L1139 PolarHBondContact O-N 3.25Å; L1139-A1141 VanDerWaalsContact C-N 3.33Å; L1139-A1141 PolarHBondContact O-N 2.81Å; L1139-G1142 CarbonylContact O-C 3.58Å; L1139-G1142 WeakPolarHBondContact O-CA 3.23Å; L1139-G1142 PolarHBondContact O-N 2.93Å; L1139-I1143 HydrophobicContact CD2-CD1 4.05Å; L1139-I1143 HydrophobicContact CG-CD1 3.7Å; L1139-I1143 HydrophobicContact CG-CG1 4.32Å; L1139-I1143 WeakPolarHBondContact O-CD1 3.37Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.35Å; L1139-I1143 PolarHBondContact O-N 3.12Å; L1139-I1154 HydrophobicContact CD1-CG1 4.3Å; L1139-T1157 HydrophobicContact CB-CG2 4.27Å; L1139-T1157 VanDerWaalsContact CD1-OG1 3.23Å; L1139-T1157 WeakPolarHBondContact CD1-OG1 3.33Å; L1139-I1674 HydrophobicContact CD2-CG2 4.12Å; L1139-F1678 HydrophobicContact CD2-CE1 4.29Å; L1139-F1678 HydrophobicContact CD2-CE2 4.05Å; L1139-F1678 HydrophobicContact CD2-CZ 3.44Å; L1139-F1678 VanDerWaalsContact CD2-CZ 3.44Å
1140A85.1Confident85.8Confident42 Ų4223.8 Ų23.835%0.34714%0.141SC..Hα-helixtrans-58.5-42.1175.800000112.2M1136 G1142 I1143 A1144M1136-A1140 WeakPolarHBondContact O-CB 3.45Å; M1136-A1140 PolarHBondContact O-N 2.89Å; A1140-G1142 PolarHBondContact O-N 3.45Å; A1140-I1143 PolarHBondContact O-N 3.39Å; A1140-I1143 VanDerWaalsContact O-N 3.13Å; A1140-A1144 WeakPolarHBondContact O-CB 3.4Å; A1140-A1144 PolarHBondContact O-N 3.07Å
1141A85.6Confident85.9Confident9 Ų925.6 Ų25.67%0.07415%0.149CC..Hα-helixtrans-61.3-29.7171.900000113.2S1137 T1138 L1139 Y1153 F1262 A1266S1137-A1141 PolarHBondContact O-N 3.45Å; T1138-A1141 PolarHBondContact O-N 3.19Å; L1139-A1141 VanDerWaalsContact C-N 3.33Å; L1139-A1141 PolarHBondContact O-N 2.81Å; A1141-Y1153 HydrophobicContact CB-CD2 4.07Å; A1141-Y1153 HydrophobicContact CB-CE2 4.06Å; A1141-F1262 HydrophobicContact CB-CB 4.18Å; A1141-A1266 HydrophobicContact CB-CB 4.47Å
1142G84.6Confident86Confident0 Ų026.1 Ų26.10%016%0.155CC..Hα-helixtrans-80.2-19.217300000115.6T1138 L1139 A1140 A1150 I1154T1138-G1142 PolarHBondContact O-N 3.4Å; L1139-G1142 CarbonylContact O-C 3.58Å; L1139-G1142 WeakPolarHBondContact O-CA 3.23Å; L1139-G1142 PolarHBondContact O-N 2.93Å; A1140-G1142 PolarHBondContact O-N 3.45Å; G1142-A1150 WeakPolarHBondContact CA-O 3.33Å; G1142-A1150 WeakPolarHBondContact O-CB 3.3Å; G1142-I1154 WeakPolarHBondContact O-CD1 3.35Å
1143I84.7Confident86.1Confident51 Ų5123.9 Ų23.926%0.26215%0.147SC..Hα-helixtrans-92.8-26.7177.6-60.8150.7000111.4L1139 A1140 G1145 I1674L1139-I1143 HydrophobicContact CD2-CD1 4.05Å; L1139-I1143 HydrophobicContact CG-CD1 3.7Å; L1139-I1143 HydrophobicContact CG-CG1 4.32Å; L1139-I1143 WeakPolarHBondContact O-CD1 3.37Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.35Å; L1139-I1143 PolarHBondContact O-N 3.12Å; A1140-I1143 PolarHBondContact O-N 3.39Å; A1140-I1143 VanDerWaalsContact O-N 3.13Å; I1143-G1145 PolarHBondContact O-N 2.85Å; I1143-I1674 HydrophobicContact CD1-CD1 3.31Å; I1143-I1674 HydrophobicContact CD1-CG1 4.12Å; I1143-I1674 HydrophobicContact CD1-CG2 4.45Å; I1143-I1674 HydrophobicContact CG1-CD1 3.8Å; I1143-I1674 HydrophobicContact CG2-CD1 4.05Å
1144A79.5Confident86.2Confident45 Ų4521.2 Ų21.237%0.37213%0.133SC..SBendtrans-67.5-3.4-173.400000115.5A1140 F1262A1140-A1144 WeakPolarHBondContact O-CB 3.4Å; A1140-A1144 PolarHBondContact O-N 3.07Å; A1144-F1262 HydrophobicContact CB-CD1 4.44Å; A1144-F1262 HydrophobicContact CB-CD2 3.57Å; A1144-F1262 HydrophobicContact CB-CE2 3.66Å; A1144-F1262 HydrophobicContact CB-CG 3.99Å; A1144-F1262 HydrophobicContact CB-CZ 4.14Å
1145G74.8Confident86.2Confident11 Ų1125.5 Ų25.511%0.11315%0.154CC..  trans-165.4165174.900000111.9I1143 A1150I1143-G1145 PolarHBondContact O-N 2.85Å; G1145-A1150 WeakPolarHBondContact O-CB 3.07Å
1146T78Confident86.2Confident27 Ų2729.2 Ų29.217%0.16617%0.171CC..  trans-103.728.9-17567.40000113.4E1257 Q1635 F1636T1146-E1257 WeakPolarHBondContact CA-OE1 3.44Å; T1146-E1257 WeakPolarHBondContact CB-OE1 3.48Å; T1146-E1257 VanDerWaalsContact N-CD 3.29Å; T1146-E1257 PolarHBondContact N-OE1 2.97Å; T1146-E1257 PolarHBondContact OG1-OE1 2.74Å; T1146-Q1635 HydrophobicContact CG2-CB 3.73Å; T1146-Q1635 HydrophobicContact CG2-CG 4.41Å; T1146-F1636 WeakPolarHBondContact O-CD1 3.42Å; T1146-F1636 WeakPolarHBondContact O-CE1 3.49Å; T1146-F1636 WeakPolarHBondContact O-CZ 3.28Å
1147S85.2Confident86.4Confident4 Ų426.9 Ų26.93%0.02816%0.159CC..SBendtrans-85.2162.5177.267.50000113.6F1149 A1150 L1151S1147-F1149 PolarHBondContact O-N 3.14Å; S1147-A1150 WeakPolarHBondContact O-CB 3.47Å; S1147-A1150 PolarHBondContact O-N 3.41Å; S1147-A1150 PolarHBondContact OG-N 3.22Å; S1147-L1151 PolarHBondContact O-N 3.09Å; S1147-L1151 VanDerWaalsContact O-N 3.11Å
1148L86.7Confident86.3Confident66 Ų6627.4 Ų27.435%0.34616%0.161SC..Hα-helixtrans-58.6-32.7171-174.170.7000112.5A1150 L1151 G1152 L1228 F1229L1148-A1150 VanDerWaalsContact C-N 3.29Å; L1148-A1150 PolarHBondContact O-N 2.99Å; L1148-L1151 HydrophobicContact CD1-CD2 4.07Å; L1148-L1151 WeakPolarHBondContact O-CB 3.46Å; L1148-L1151 PolarHBondContact O-N 3.04Å; L1148-G1152 PolarHBondContact O-N 3.44Å; L1148-L1228 HydrophobicContact CB-CD1 4.44Å; L1148-L1228 HydrophobicContact CB-CG 4.13Å; L1148-L1228 WeakPolarHBondContact CB-O 3.22Å; L1148-L1228 HydrophobicContact CD2-CD2 4.34Å; L1148-L1228 PolarHBondContact N-O 2.95Å; L1148-F1229 HydrophobicContact CD2-CE1 3.82Å; L1148-F1229 HydrophobicContact CD2-CZ 4Å
1149F89.3Confident86.2Confident18 Ų1831.1 Ų31.18%0.07918%0.183CC..Hα-helixtrans-63.4-37.2174.3-59.4-61.8000111.9S1147 G1152 Y1153 Y1190 F1193 T1194 M1197 L1201 F1229S1147-F1149 PolarHBondContact O-N 3.14Å; F1149-G1152 PolarHBondContact O-N 3.4Å; F1149-Y1153 PolarHBondContact O-N 3.14Å; F1149-Y1190 WeakPolarHBondContact CA-OH 3.02Å; F1149-Y1190 PolarHBondContact O-OH 2.94Å; F1149-F1193 HydrophobicContact CE1-CE1 4.48Å; F1149-T1194 HydrophobicContact CB-CG2 4.11Å; F1149-T1194 HydrophobicContact CD1-CG2 3.93Å; F1149-T1194 HydrophobicContact CG-CG2 4.3Å; F1149-M1197 HydrophobicContact CE1-CB 4.47Å; F1149-M1197 HydrophobicContact CZ-CB 4.28Å; F1149-L1201 HydrophobicContact CE2-CD1 4.11Å; F1149-L1201 HydrophobicContact CZ-CD1 4.12Å; F1149-F1229 HydrophobicContact CE2-CD1 4.02Å; F1149-F1229 AromaticContact CZ-CD1 3.88Å; F1149-F1229 HydrophobicContact CZ-CD1 3.88Å; F1149-F1229 HydrophobicContact CZ-CE1 4.4Å
1150A87.3Confident86.1Confident4 Ų431.2 Ų31.23%0.03318%0.184CC..Hα-helixtrans-69.8-41177.500000112.1G1142 G1145 S1147 L1148 G1152 Y1153 I1154 F1632G1142-A1150 WeakPolarHBondContact CA-O 3.33Å; G1142-A1150 WeakPolarHBondContact O-CB 3.3Å; G1145-A1150 WeakPolarHBondContact O-CB 3.07Å; S1147-A1150 WeakPolarHBondContact O-CB 3.47Å; S1147-A1150 PolarHBondContact O-N 3.41Å; S1147-A1150 PolarHBondContact OG-N 3.22Å; L1148-A1150 VanDerWaalsContact C-N 3.29Å; L1148-A1150 PolarHBondContact O-N 2.99Å; A1150-G1152 VanDerWaalsContact C-N 3.27Å; A1150-G1152 PolarHBondContact O-N 2.85Å; A1150-Y1153 WeakPolarHBondContact O-CB 3.5Å; A1150-Y1153 PolarHBondContact O-N 2.87Å; A1150-Y1153 VanDerWaalsContact O-N 3.12Å; A1150-I1154 PolarHBondContact O-N 3.03Å; A1150-I1154 VanDerWaalsContact O-N 3.13Å; A1150-F1632 HydrophobicContact CB-CE2 4.46Å; A1150-F1632 HydrophobicContact CB-CZ 4.31Å
1151L88.4Confident86.1Confident46 Ų4629.5 Ų29.524%0.24117%0.169CC..Hα-helixtrans-54.7-42.8171.8-175.277000111.8S1147 L1148 Y1153 I1154 I1155 F1632S1147-L1151 PolarHBondContact O-N 3.09Å; S1147-L1151 VanDerWaalsContact O-N 3.11Å; L1148-L1151 HydrophobicContact CD1-CD2 4.07Å; L1148-L1151 WeakPolarHBondContact O-CB 3.46Å; L1148-L1151 PolarHBondContact O-N 3.04Å; L1151-Y1153 VanDerWaalsContact C-N 3.34Å; L1151-Y1153 PolarHBondContact O-N 3.41Å; L1151-I1154 PolarHBondContact O-N 3.49Å; L1151-I1154 VanDerWaalsContact O-N 3.16Å; L1151-I1155 HydrophobicContact CD2-CD1 4.24Å; L1151-I1155 HydrophobicContact CG-CD1 3.94Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.47Å; L1151-I1155 PolarHBondContact O-N 3.44Å; L1151-F1632 HydrophobicContact CB-CE1 3.96Å; L1151-F1632 HydrophobicContact CB-CZ 4.19Å; L1151-F1632 HydrophobicContact CD1-CD1 3.94Å; L1151-F1632 HydrophobicContact CD1-CE1 3.73Å; L1151-F1632 HydrophobicContact CG-CE1 4.44Å
1152G88.8Confident86.1Confident14 Ų1434.7 Ų34.714%0.14419%0.186CC..Hα-helixtrans-60.5-40.2177.600000113.2L1148 F1149 A1150 I1155 F1156 Y1190L1148-G1152 PolarHBondContact O-N 3.44Å; F1149-G1152 PolarHBondContact O-N 3.4Å; A1150-G1152 VanDerWaalsContact C-N 3.27Å; A1150-G1152 PolarHBondContact O-N 2.85Å; G1152-I1155 PolarHBondContact O-N 3.15Å; G1152-F1156 WeakPolarHBondContact O-CD2 3.49Å; G1152-F1156 PolarHBondContact O-N 2.87Å; G1152-Y1190 WeakPolarHBondContact CA-OH 2.93Å
1153Y91.1Very high86Confident3 Ų336 Ų361%0.01220%0.195CC..Hα-helixtrans-62.3-43.9172.2-70.4-53.4000112.2A1141 F1149 A1150 L1151 I1155 F1156 T1157 Y1190 T1191 T1194 D1263A1141-Y1153 HydrophobicContact CB-CD2 4.07Å; A1141-Y1153 HydrophobicContact CB-CE2 4.06Å; F1149-Y1153 PolarHBondContact O-N 3.14Å; A1150-Y1153 WeakPolarHBondContact O-CB 3.5Å; A1150-Y1153 PolarHBondContact O-N 2.87Å; A1150-Y1153 VanDerWaalsContact O-N 3.12Å; L1151-Y1153 VanDerWaalsContact C-N 3.34Å; L1151-Y1153 PolarHBondContact O-N 3.41Å; Y1153-I1155 VanDerWaalsContact C-N 3.35Å; Y1153-I1155 PolarHBondContact O-N 3.15Å; Y1153-F1156 PolarHBondContact O-N 3.48Å; Y1153-T1157 WeakPolarHBondContact O-CB 3.13Å; Y1153-T1157 VanDerWaalsContact O-CG2 3.28Å; Y1153-T1157 WeakPolarHBondContact O-CG2 3.39Å; Y1153-T1157 PolarHBondContact O-N 3.34Å; Y1153-T1157 PolarHBondContact O-OG1 3.38Å; Y1153-Y1190 AromaticContact CD1-CD1 3.75Å; Y1153-Y1190 HydrophobicContact CD1-CD1 3.75Å; Y1153-Y1190 AromaticContact CD1-CE1 3.62Å; Y1153-Y1190 HydrophobicContact CD1-CE1 3.62Å; Y1153-Y1190 HydrophobicContact CD2-CE1 4.38Å; Y1153-Y1190 AromaticContact CE1-CD1 3.5Å; Y1153-Y1190 HydrophobicContact CE1-CD1 3.5Å; Y1153-Y1190 VanDerWaalsContact CE1-CD1 3.5Å; Y1153-Y1190 AromaticContact CE1-CE1 3.59Å; Y1153-Y1190 HydrophobicContact CE1-CE1 3.59Å; Y1153-Y1190 HydrophobicContact CE2-CE1 4.37Å; Y1153-Y1190 HydrophobicContact CG-CE1 4.02Å; Y1153-Y1190 AromaticContact CZ-CE1 3.99Å; Y1153-T1191 HydrophobicContact CE1-CG2 3.67Å; Y1153-T1194 PolarHBondContact OH-OG1 3.01Å; Y1153-D1263 WeakPolarHBondContact CE2-OD1 3.48Å; Y1153-D1263 VanDerWaalsContact CZ-OD1 3.26Å; Y1153-D1263 PolarHBondContact OH-OD1 2.86Å
1154I88.8Confident85.6Confident9 Ų934 Ų345%0.04619%0.187CC..Hα-helixtrans-59.6-46177.1-62.8174.4000110.3L1139 G1142 A1150 L1151 T1157 L1158 F1632L1139-I1154 HydrophobicContact CD1-CG1 4.3Å; G1142-I1154 WeakPolarHBondContact O-CD1 3.35Å; A1150-I1154 PolarHBondContact O-N 3.03Å; A1150-I1154 VanDerWaalsContact O-N 3.13Å; L1151-I1154 PolarHBondContact O-N 3.49Å; L1151-I1154 VanDerWaalsContact O-N 3.16Å; I1154-T1157 WeakPolarHBondContact CA-OG1 3.48Å; I1154-T1157 PolarHBondContact O-N 3.17Å; I1154-T1157 PolarHBondContact O-OG1 3.18Å; I1154-T1157 VanDerWaalsContact O-OG1 3.06Å; I1154-L1158 HydrophobicContact CG2-CD1 3.71Å; I1154-L1158 HydrophobicContact CG2-CG 4.13Å; I1154-L1158 WeakPolarHBondContact O-CB 3.1Å; I1154-L1158 VanDerWaalsContact O-CG 3.29Å; I1154-L1158 WeakPolarHBondContact O-CG 3.47Å; I1154-L1158 PolarHBondContact O-N 2.84Å; I1154-F1632 HydrophobicContact CD1-CD2 3.57Å; I1154-F1632 HydrophobicContact CD1-CE2 3.65Å; I1154-F1632 HydrophobicContact CD1-CG 4.19Å; I1154-F1632 HydrophobicContact CD1-CZ 4.33Å
1155I89.2Confident85.6Confident94 Ų9432.8 Ų32.848%0.48218%0.175SC..Hα-helixtrans-64.1-48.1-179.9-67.2168.8000111.5L1151 G1152 Y1153 T1157 T1159L1151-I1155 HydrophobicContact CD2-CD1 4.24Å; L1151-I1155 HydrophobicContact CG-CD1 3.94Å; L1151-I1155 WeakPolarHBondContact O-CG1 3.47Å; L1151-I1155 PolarHBondContact O-N 3.44Å; G1152-I1155 PolarHBondContact O-N 3.15Å; Y1153-I1155 VanDerWaalsContact C-N 3.35Å; Y1153-I1155 PolarHBondContact O-N 3.15Å; I1155-T1157 PolarHBondContact O-N 2.71Å; I1155-T1159 VanDerWaalsContact O-CB 3.3Å; I1155-T1159 WeakPolarHBondContact O-CB 3.36Å; I1155-T1159 PolarHBondContact O-N 3.34Å; I1155-T1159 PolarHBondContact O-OG1 2.99Å
1156F89.9Confident85.8Confident85 Ų8536.9 Ų36.937%0.37319%0.194SC..Hα-helixtrans-62.6-42.4178.4-81.7-61.1000112G1152 Y1153 M1160 L1187 Y1190G1152-F1156 WeakPolarHBondContact O-CD2 3.49Å; G1152-F1156 PolarHBondContact O-N 2.87Å; Y1153-F1156 PolarHBondContact O-N 3.48Å; F1156-M1160 VanDerWaalsContact O-CG 3.24Å; F1156-M1160 WeakPolarHBondContact O-CG 3.33Å; F1156-M1160 PolarHBondContact O-N 2.99Å; F1156-L1187 HydrophobicContact CB-CD1 4.19Å; F1156-Y1190 HydrophobicContact CD2-CD1 4.34Å; F1156-Y1190 HydrophobicContact CD2-CG 4.31Å; F1156-Y1190 HydrophobicContact CE2-CD1 4.44Å; F1156-Y1190 AromaticContact CE2-CD2 3.92Å; F1156-Y1190 HydrophobicContact CE2-CD2 3.92Å; F1156-Y1190 HydrophobicContact CE2-CE2 4.33Å; F1156-Y1190 AromaticContact CE2-CG 3.98Å; F1156-Y1190 HydrophobicContact CE2-CG 3.98Å
1157T89.1Confident85.8Confident5 Ų536.4 Ų36.43%0.03119%0.19CC..Hα-helixtrans-69.8-47.2-179.552.10000112.4T1138 L1139 Y1153 I1154 I1155 T1159 M1160 L1161T1138-T1157 VanDerWaalsContact OG1-CG2 3.24Å; T1138-T1157 WeakPolarHBondContact OG1-CG2 3.45Å; L1139-T1157 HydrophobicContact CB-CG2 4.27Å; L1139-T1157 VanDerWaalsContact CD1-OG1 3.23Å; L1139-T1157 WeakPolarHBondContact CD1-OG1 3.33Å; Y1153-T1157 WeakPolarHBondContact O-CB 3.13Å; Y1153-T1157 VanDerWaalsContact O-CG2 3.28Å; Y1153-T1157 WeakPolarHBondContact O-CG2 3.39Å; Y1153-T1157 PolarHBondContact O-N 3.34Å; Y1153-T1157 PolarHBondContact O-OG1 3.38Å; I1154-T1157 WeakPolarHBondContact CA-OG1 3.48Å; I1154-T1157 PolarHBondContact O-N 3.17Å; I1154-T1157 PolarHBondContact O-OG1 3.18Å; I1154-T1157 VanDerWaalsContact O-OG1 3.06Å; I1155-T1157 PolarHBondContact O-N 2.71Å; T1157-T1159 VanDerWaalsContact C-N 3.3Å; T1157-T1159 PolarHBondContact O-N 2.78Å; T1157-M1160 PolarHBondContact O-N 3.23Å; T1157-L1161 WeakPolarHBondContact O-CB 3.45Å; T1157-L1161 PolarHBondContact O-N 2.99Å
1158L87.6Confident85.6Confident30 Ų3036.5 Ų36.516%0.15719%0.19CC..Hα-helixtrans-58.2-41.4174.6-71.6-179.8000111.8I1154 M1160 L1161 W1162 E1625 L1677I1154-L1158 HydrophobicContact CG2-CD1 3.71Å; I1154-L1158 HydrophobicContact CG2-CG 4.13Å; I1154-L1158 WeakPolarHBondContact O-CB 3.1Å; I1154-L1158 VanDerWaalsContact O-CG 3.29Å; I1154-L1158 WeakPolarHBondContact O-CG 3.47Å; I1154-L1158 PolarHBondContact O-N 2.84Å; L1158-M1160 PolarHBondContact O-N 3.03Å; L1158-L1161 PolarHBondContact O-N 3.46Å; L1158-W1162 WeakPolarHBondContact O-CB 3.37Å; L1158-W1162 PolarHBondContact O-N 2.97Å; L1158-E1625 HydrophobicContact CD2-CG 4.45Å; L1158-L1677 HydrophobicContact CD2-CD2 3.9Å
1159T86.3Confident84.9Confident79 Ų7934.1 Ų34.149%0.48518%0.178SC..Hα-helixtrans-62.4-43.6176.9-57.60000112I1155 T1157 S1163I1155-T1159 VanDerWaalsContact O-CB 3.3Å; I1155-T1159 WeakPolarHBondContact O-CB 3.36Å; I1155-T1159 PolarHBondContact O-N 3.34Å; I1155-T1159 PolarHBondContact O-OG1 2.99Å; T1157-T1159 VanDerWaalsContact C-N 3.3Å; T1157-T1159 PolarHBondContact O-N 2.78Å; T1159-S1163 PolarHBondContact O-N 3Å
1160M87.7Confident84Confident13 Ų1334.2 Ų34.26%0.06418%0.179CC..Hα-helixtrans-68.2-42.7176-68.5-74.4-109.700111.4L1135 F1156 T1157 L1158 W1162 S1163 G1164 L1167 R1183 W1184L1135-M1160 HydrophobicContact CD1-CB 4.31Å; L1135-M1160 HydrophobicContact CD2-CB 3.76Å; L1135-M1160 HydrophobicContact CD2-CG 4.35Å; F1156-M1160 VanDerWaalsContact O-CG 3.24Å; F1156-M1160 WeakPolarHBondContact O-CG 3.33Å; F1156-M1160 PolarHBondContact O-N 2.99Å; T1157-M1160 PolarHBondContact O-N 3.23Å; L1158-M1160 PolarHBondContact O-N 3.03Å; M1160-W1162 PolarHBondContact O-N 3.16Å; M1160-S1163 PolarHBondContact O-N 3.27Å; M1160-S1163 VanDerWaalsContact O-N 3.17Å; M1160-S1163 PolarHBondContact O-OG 2.99Å; M1160-G1164 PolarHBondContact O-N 3.31Å; M1160-L1167 HydrophobicContact CE-CD2 3.86Å; M1160-L1167 HydrophobicContact SD-CD2 3.64Å; M1160-R1183 HydrophobicContact CE-CB 3.91Å; M1160-R1183 HydrophobicContact SD-CB 4.24Å; M1160-W1184 HydrophobicContact CE-CD2 4.06Å; M1160-W1184 HydrophobicContact CE-CG 4.21Å; M1160-W1184 HydrophobicContact CE-CZ2 4.29Å
1161L85.8Confident82.9Confident7 Ų737.2 Ų37.24%0.03720%0.195CC..Hα-helixtrans-62.7-41.8179.6-159.577.2000112W1132 M1136 T1157 L1158 S1163 G1164 F1678 F1681W1132-L1161 HydrophobicContact CE3-CD1 3.92Å; W1132-L1161 HydrophobicContact CZ3-CD1 3.58Å; W1132-L1161 HydrophobicContact CZ3-CG 4.45Å; M1136-L1161 HydrophobicContact CE-CD1 4.05Å; T1157-L1161 WeakPolarHBondContact O-CB 3.45Å; T1157-L1161 PolarHBondContact O-N 2.99Å; L1158-L1161 PolarHBondContact O-N 3.46Å; L1161-S1163 VanDerWaalsContact C-N 3.29Å; L1161-S1163 PolarHBondContact O-N 2.97Å; L1161-G1164 PolarHBondContact O-N 3.3Å; L1161-F1678 HydrophobicContact CD1-CE1 4.27Å; L1161-F1678 HydrophobicContact CD2-CE1 4.13Å; L1161-F1681 HydrophobicContact CB-CZ 4.48Å; L1161-F1681 HydrophobicContact CD2-CD1 4.31Å; L1161-F1681 HydrophobicContact CD2-CD2 3.53Å; L1161-F1681 HydrophobicContact CD2-CE1 4.3Å; L1161-F1681 HydrophobicContact CD2-CE2 3.52Å; L1161-F1681 HydrophobicContact CD2-CG 3.95Å; L1161-F1681 HydrophobicContact CD2-CZ 3.92Å; L1161-F1681 HydrophobicContact CG-CD1 4.01Å; L1161-F1681 HydrophobicContact CG-CD2 4.14Å; L1161-F1681 HydrophobicContact CG-CE1 4Å; L1161-F1681 HydrophobicContact CG-CE2 4.14Å; L1161-F1681 HydrophobicContact CG-CG 4.08Å; L1161-F1681 HydrophobicContact CG-CZ 4.07Å; L1161-F1681 WeakPolarHBondContact O-CE1 3.43Å
1162W84.8Confident81.6Confident118 Ų11836.5 Ų36.545%0.44719%0.193SC..Hα-helixtrans-59.3-40.2174.2-174.4-100.1000112L1158 M1160 I1621 F1681 R1684L1158-W1162 WeakPolarHBondContact O-CB 3.37Å; L1158-W1162 PolarHBondContact O-N 2.97Å; M1160-W1162 PolarHBondContact O-N 3.16Å; W1162-I1621 HydrophobicContact CZ3-CG2 4.17Å; W1162-F1681 HydrophobicContact CE3-CZ 4.32Å; W1162-R1684 PolarHBondContact O-NH2 3.3Å
1163S81.8Confident80.2Confident26 Ų2640.7 Ų40.718%0.18222%0.217CC..Hα-helixtrans-70.7-41.7176.377.90000112.7T1159 M1160 L1161 N1166T1159-S1163 PolarHBondContact O-N 3Å; M1160-S1163 PolarHBondContact O-N 3.27Å; M1160-S1163 VanDerWaalsContact O-N 3.17Å; M1160-S1163 PolarHBondContact O-OG 2.99Å; L1161-S1163 VanDerWaalsContact C-N 3.29Å; L1161-S1163 PolarHBondContact O-N 2.97Å; S1163-N1166 WeakPolarHBondContact O-CB 3.37Å; S1163-N1166 PolarHBondContact O-N 3.39Å
1164G77.2Confident78.6Confident9 Ų945.5 Ų45.59%0.09324%0.242CC..G310 helixtrans54.4-143177.300000113.3M1160 L1161 N1166 L1167M1160-G1164 PolarHBondContact O-N 3.31Å; L1161-G1164 PolarHBondContact O-N 3.3Å; G1164-N1166 PolarHBondContact O-N 2.94Å; G1164-L1167 VanDerWaalsContact O-CB 3.29Å; G1164-L1167 WeakPolarHBondContact O-CB 3.23Å; G1164-L1167 PolarHBondContact O-N 3.09Å
1165N79.5Confident76.9Confident21 Ų2155.1 Ų55.111%0.11228%0.278CS..G310 helixtrans-56-23.1-178.2-65.710.6000114.3W1132 L1167 Y1168 V1169 Y1289 Y1685W1132-N1165 WeakPolarHBondContact CZ2-OD1 3.44Å; N1165-L1167 PolarHBondContact O-N 3.46Å; N1165-L1167 VanDerWaalsContact O-N 3.13Å; N1165-Y1168 PolarHBondContact O-N 2.98Å; N1165-V1169 PolarHBondContact O-N 2.85Å; N1165-Y1289 HydrophobicContact CB-CD1 4.29Å; N1165-Y1685 WeakPolarHBondContact ND2-CE2 3.36Å
1166N78.4Confident75.6Confident96 Ų9652.4 Ų52.451%0.51327%0.267SS..G310 helixtrans-62.5-18.7177-67.5-7.9000112.7S1163 G1164 Y1168S1163-N1166 WeakPolarHBondContact O-CB 3.37Å; S1163-N1166 PolarHBondContact O-N 3.39Å; G1164-N1166 PolarHBondContact O-N 2.94Å; N1166-Y1168 VanDerWaalsContact C-N 3.3Å; N1166-Y1168 PolarHBondContact O-N 3.35Å
1167L78.2Confident74.9Confident18 Ų1848.6 Ų48.69%0.09425%0.25CS..G310 helixtrans-68.4-26.2174.6-174.564.7000113.3M1160 G1164 N1165 T1180M1160-L1167 HydrophobicContact CE-CD2 3.86Å; M1160-L1167 HydrophobicContact SD-CD2 3.64Å; G1164-L1167 VanDerWaalsContact O-CB 3.29Å; G1164-L1167 WeakPolarHBondContact O-CB 3.23Å; G1164-L1167 PolarHBondContact O-N 3.09Å; N1165-L1167 PolarHBondContact O-N 3.46Å; N1165-L1167 VanDerWaalsContact O-N 3.13Å; L1167-T1180 HydrophobicContact CD1-CG2 4.21Å; L1167-T1180 HydrophobicContact CD2-CG2 4.18Å; L1167-T1180 HydrophobicContact CG-CG2 3.79Å; L1167-T1180 PolarHBondContact O-OG1 2.98Å
1168Y80.8Confident74.2Confident5 Ų552.5 Ų52.52%0.0227%0.268CS..THydrogen-bonded Turntrans-98.8-17179.3-50.4-64.8000112.8H1131 N1165 N1166 M1170 T1180 F1277 F1282 Y1289H1131-Y1168 WeakPolarHBondContact CB-OH 3.38Å; H1131-Y1168 AromaticContact CD2-CE2 3.51Å; H1131-Y1168 AromaticContact CD2-CZ 3.82Å; H1131-Y1168 PolarHBondContact CD2-OH 3.48Å; H1131-Y1168 AromaticContact CG-CE2 3.93Å; H1131-Y1168 AromaticContact CG-CZ 3.97Å; H1131-Y1168 AromaticContact NE2-CE2 3.55Å; N1165-Y1168 PolarHBondContact O-N 2.98Å; N1166-Y1168 VanDerWaalsContact C-N 3.3Å; N1166-Y1168 PolarHBondContact O-N 3.35Å; Y1168-M1170 PolarHBondContact O-N 2.92Å; Y1168-T1180 HydrophobicContact CD1-CG2 4.19Å; Y1168-T1180 HydrophobicContact CE1-CG2 4.12Å; Y1168-F1277 AromaticContact CE1-CE1 3.96Å; Y1168-F1277 HydrophobicContact CE1-CE1 3.96Å; Y1168-F1277 AromaticContact CE1-CZ 3.99Å; Y1168-F1277 HydrophobicContact CE1-CZ 3.99Å; Y1168-F1282 AromaticContact CD1-CZ 3.87Å; Y1168-F1282 HydrophobicContact CD1-CZ 3.87Å; Y1168-F1282 HydrophobicContact CE1-CZ 4.28Å; Y1168-F1282 HydrophobicContact CG-CZ 4.37Å; Y1168-Y1289 HydrophobicContact CD2-CD2 4.29Å; Y1168-Y1289 AromaticContact CD2-CE2 3.95Å; Y1168-Y1289 HydrophobicContact CD2-CE2 3.95Å; Y1168-Y1289 HydrophobicContact CG-CD2 4.33Å; Y1168-Y1289 HydrophobicContact CG-CE2 4.2Å
1169V73.3Confident73.7Confident17 Ų1754.6 Ų54.610%0.10328%0.277CS..SBendtrans-74.894.1172.3179.40000108.5N1165 N1171 V1293 L1521N1165-V1169 PolarHBondContact O-N 2.85Å; V1169-N1171 PolarHBondContact O-N 2.04Å; V1169-V1293 HydrophobicContact CG2-CG2 4.05Å; V1169-L1521 HydrophobicContact CG1-CD1 4.08Å; V1169-L1521 HydrophobicContact CG1-CD2 3.64Å
1170M70Confident73.4Confident20 Ų2051.4 Ų51.410%0.09926%0.257CS..  trans-56.4100.6175.3-60.1174.4127.300110.9F1100 I1102 Y1168 F1177 M1286 R1290 T1517F1100-M1170 HydrophobicContact CD1-CE 3.56Å; F1100-M1170 HydrophobicContact CE1-CE 4.12Å; I1102-M1170 HydrophobicContact CD1-SD 3.7Å; I1102-M1170 HydrophobicContact CG1-SD 4.31Å; Y1168-M1170 PolarHBondContact O-N 2.92Å; M1170-F1177 HydrophobicContact CE-CB 3.71Å; M1170-M1286 HydrophobicContact CE-CE 4.05Å; M1170-M1286 HydrophobicContact CG-CE 3.68Å; M1170-M1286 HydrophobicContact SD-CE 3.69Å; M1170-R1290 PolarHBondContact O-NH1 3.14Å; M1170-T1517 HydrophobicContact CB-CG2 3.66Å; M1170-T1517 HydrophobicContact CG-CG2 4.35Å; M1170-T1517 HydrophobicContact SD-CG2 3.72Å; M1170-T1517 PolarHBondContact SD-OG1 3.04Å; M1170-T1517 VanDerWaalsContact SD-OG1 3.4Å
1171N64.7Low73.2Confident66 Ų6652 Ų5235%0.35326%0.261SS..  trans-89.5141.4176-161.21.1000109.8V1169 T1173 L1174V1169-N1171 PolarHBondContact O-N 2.04Å; N1171-T1173 PolarHBondContact O-N 3.07Å; N1171-T1173 VanDerWaalsContact O-N 3.1Å; N1171-L1174 CarbonylContact O-C 3.44Å; N1171-L1174 PolarHBondContact O-N 3.28Å
1172S59.8Low73.2Confident31 Ų3157.3 Ų57.322%0.21728%0.284CS..G310 helixtrans-57.6-30.3-174.965.40000113.6K1520S1172-K1520 WeakPolarHBondContact OG-CG 3.36Å
1173T60.8Low73.3Confident103 Ų10356.1 Ų56.163%0.63228%0.279SS*.G310 helixtrans-74.9-20.4178.751.30000114N1171N1171-T1173 PolarHBondContact O-N 3.07Å; N1171-T1173 VanDerWaalsContact O-N 3.1Å
1174L56Low73.7Confident103 Ų10354.9 Ų54.954%0.53927%0.27SS..G310 helixtrans-115.855177.1-74.7125.9000109.4N1171 S1176N1171-L1174 CarbonylContact O-C 3.44Å; N1171-L1174 PolarHBondContact O-N 3.28Å; L1174-S1176 PolarHBondContact O-N 3.09Å
1175R53.5Low74.3Confident212 Ų21257.6 Ų57.680%0.828%0.283SS*.  trans-53.3123.3-173-142.3178.1-169.1-177.73.5111.1
1176S61.5Low74.8Confident37 Ų3759.1 Ų59.126%0.25930%0.298SS..  trans98.4127.9176.4-161.50000117.2L1174 E1178 H1179L1174-S1176 PolarHBondContact O-N 3.09Å; S1176-E1178 PolarHBondContact O-N 2.97Å; S1176-E1178 VanDerWaalsContact O-N 3.13Å; S1176-E1178 WeakPolarHBondContact OG-CB 3.41Å; S1176-E1178 PolarHBondContact OG-N 3.16Å; S1176-H1179 PolarHBondContact O-N 3.34Å; S1176-H1179 VanDerWaalsContact O-N 3.16Å
1177F75.4Confident75.4Confident4 Ų454.6 Ų54.62%0.01827%0.274CS..THydrogen-bonded Turntrans-54.7-25166.6-174.4-101.9000112.6Y1095 F1100 M1170 H1179 T1180 L1181 F1277 F1282 M1286Y1095-F1177 AromaticContact CE1-CD1 3.72Å; Y1095-F1177 HydrophobicContact CE1-CD1 3.72Å; Y1095-F1177 AromaticContact CE1-CE1 3.91Å; Y1095-F1177 HydrophobicContact CE1-CE1 3.91Å; Y1095-F1177 AromaticContact CZ-CE1 3.89Å; Y1095-F1177 WeakPolarHBondContact OH-CE1 3.33Å; F1100-F1177 HydrophobicContact CB-CB 4.06Å; F1100-F1177 HydrophobicContact CD1-CB 4.1Å; F1100-F1177 HydrophobicContact CD1-CG 4.42Å; F1100-F1177 HydrophobicContact CG-CB 4.22Å; F1100-F1177 HydrophobicContact CG-CG 4.49Å; M1170-F1177 HydrophobicContact CE-CB 3.71Å; F1177-H1179 PolarHBondContact O-N 3.43Å; F1177-H1179 VanDerWaalsContact O-N 3.17Å; F1177-T1180 WeakPolarHBondContact O-CA 3.26Å; F1177-T1180 WeakPolarHBondContact O-CB 3.3Å; F1177-T1180 PolarHBondContact O-N 3.11Å; F1177-L1181 HydrophobicContact CD1-CB 4.23Å; F1177-L1181 HydrophobicContact CE1-CB 4.2Å; F1177-L1181 HydrophobicContact CE1-CD1 4.2Å; F1177-L1181 PolarHBondContact O-N 3.16Å; F1177-F1277 HydrophobicContact CE1-CB 4.39Å; F1177-F1277 HydrophobicContact CZ-CB 4.06Å; F1177-F1277 HydrophobicContact CZ-CD1 4.36Å; F1177-F1277 HydrophobicContact CZ-CG 4.2Å; F1177-F1282 AromaticContact CE2-CE1 3.92Å; F1177-F1282 HydrophobicContact CE2-CE1 3.92Å; F1177-F1282 HydrophobicContact CZ-CE1 4.17Å; F1177-M1286 HydrophobicContact CD2-CE 3.88Å; F1177-M1286 HydrophobicContact CD2-SD 4.3Å; F1177-M1286 HydrophobicContact CE2-CE 4.28Å; F1177-M1286 HydrophobicContact CE2-SD 4.2Å
1178E74.4Confident76.1Confident88 Ų8854 Ų5441%0.41127%0.271SS..Hα-helixtrans-51.9-32.3174.6-170.1-167.3168.100112.9S1176 L1181 K1182S1176-E1178 PolarHBondContact O-N 2.97Å; S1176-E1178 VanDerWaalsContact O-N 3.13Å; S1176-E1178 WeakPolarHBondContact OG-CB 3.41Å; S1176-E1178 PolarHBondContact OG-N 3.16Å; E1178-L1181 PolarHBondContact O-N 3.45Å; E1178-K1182 HydrophobicContact CG-CD 4.17Å; E1178-K1182 HydrophobicContact CG-CG 4.46Å; E1178-K1182 WeakPolarHBondContact O-CB 3.44Å; E1178-K1182 WeakPolarHBondContact O-CG 3.17Å; E1178-K1182 PolarHBondContact O-N 3.48Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.36Å; E1178-K1182 IonicContact OE1-NZ 3.07Å; E1178-K1182 PolarHBondContact OE1-NZ 2.67Å
1179H77.6Confident76.6Confident73 Ų7355 Ų5534%0.33828%0.282SS..Hα-helixtrans-70-37.8175.1179.3-119000112.2S1176 F1177 K1182 R1183S1176-H1179 PolarHBondContact O-N 3.34Å; S1176-H1179 VanDerWaalsContact O-N 3.16Å; F1177-H1179 PolarHBondContact O-N 3.43Å; F1177-H1179 VanDerWaalsContact O-N 3.17Å; H1179-K1182 PolarHBondContact O-N 2.89Å; H1179-R1183 PolarHBondContact CE1-NE 3.18Å; H1179-R1183 PolarHBondContact CE1-NH2 3.2Å; H1179-R1183 PolarHBondContact NE2-NE 2.76Å; H1179-R1183 WeakPolarHBondContact O-CG 3.37Å; H1179-R1183 PolarHBondContact O-N 2.69Å
1180T81.1Confident77.6Confident12 Ų1256.1 Ų56.17%0.07429%0.285CS..Hα-helixtrans-67.4-45172.2-61.70000110.6L1167 Y1168 F1177 K1182 R1183 W1184L1167-T1180 HydrophobicContact CD1-CG2 4.21Å; L1167-T1180 HydrophobicContact CD2-CG2 4.18Å; L1167-T1180 HydrophobicContact CG-CG2 3.79Å; L1167-T1180 PolarHBondContact O-OG1 2.98Å; Y1168-T1180 HydrophobicContact CD1-CG2 4.19Å; Y1168-T1180 HydrophobicContact CE1-CG2 4.12Å; F1177-T1180 WeakPolarHBondContact O-CA 3.26Å; F1177-T1180 WeakPolarHBondContact O-CB 3.3Å; F1177-T1180 PolarHBondContact O-N 3.11Å; T1180-K1182 VanDerWaalsContact C-N 3.34Å; T1180-K1182 PolarHBondContact O-N 3.28Å; T1180-R1183 PolarHBondContact O-N 3.44Å; T1180-W1184 VanDerWaalsContact O-CD1 3.27Å; T1180-W1184 PolarHBondContact O-N 2.75Å
1181L82.8Confident78.7Confident26 Ų2655.2 Ų55.214%0.13628%0.28CS..Hα-helixtrans-63.4-37.9175.3-164.471.7000111.9F1177 E1178 R1183 W1184 N1185F1177-L1181 HydrophobicContact CD1-CB 4.23Å; F1177-L1181 HydrophobicContact CE1-CB 4.2Å; F1177-L1181 HydrophobicContact CE1-CD1 4.2Å; F1177-L1181 PolarHBondContact O-N 3.16Å; E1178-L1181 PolarHBondContact O-N 3.45Å; L1181-R1183 PolarHBondContact O-N 2.65Å; L1181-W1184 PolarHBondContact O-N 2.72Å; L1181-N1185 VanDerWaalsContact O-CB 3.27Å; L1181-N1185 WeakPolarHBondContact O-CB 3.05Å; L1181-N1185 PolarHBondContact O-N 3.4Å; L1181-N1185 PolarHBondContact O-OD1 2.83Å
1182K85.1Confident80.1Confident119 Ų11952.3 Ų52.352%0.51727%0.265SS..Hα-helixtrans-62.4-38.1173-82.4170.1179167.70112.1E1178 H1179 T1180 A1186E1178-K1182 HydrophobicContact CG-CD 4.17Å; E1178-K1182 HydrophobicContact CG-CG 4.46Å; E1178-K1182 WeakPolarHBondContact O-CB 3.44Å; E1178-K1182 WeakPolarHBondContact O-CG 3.17Å; E1178-K1182 PolarHBondContact O-N 3.48Å; E1178-K1182 WeakPolarHBondContact OE1-CE 3.36Å; E1178-K1182 IonicContact OE1-NZ 3.07Å; E1178-K1182 PolarHBondContact OE1-NZ 2.67Å; H1179-K1182 PolarHBondContact O-N 2.89Å; T1180-K1182 VanDerWaalsContact C-N 3.34Å; T1180-K1182 PolarHBondContact O-N 3.28Å; K1182-A1186 WeakPolarHBondContact O-CB 3.47Å; K1182-A1186 PolarHBondContact O-N 3.41Å
1183R87.3Confident81.6Confident92 Ų9255.8 Ų55.835%0.34728%0.277SS..Hα-helixtrans-66.7-41.7173.8-73.2174.2174.9-149.6-5.9112.4M1160 H1179 T1180 L1181 A1186 L1187M1160-R1183 HydrophobicContact CE-CB 3.91Å; M1160-R1183 HydrophobicContact SD-CB 4.24Å; H1179-R1183 PolarHBondContact CE1-NE 3.18Å; H1179-R1183 PolarHBondContact CE1-NH2 3.2Å; H1179-R1183 PolarHBondContact NE2-NE 2.76Å; H1179-R1183 WeakPolarHBondContact O-CG 3.37Å; H1179-R1183 PolarHBondContact O-N 2.69Å; T1180-R1183 PolarHBondContact O-N 3.44Å; L1181-R1183 PolarHBondContact O-N 2.65Å; R1183-A1186 PolarHBondContact O-N 3.21Å; R1183-L1187 PolarHBondContact O-N 3.49Å
1184W90.2Very high83.1Confident0 Ų050.9 Ų50.90%025%0.246CC..Hα-helixtrans-69.1-37.6174.6-77.5102.2000112.7T1134 L1135 M1160 T1180 L1181 L1187 L1188 L1270 Q1273 F1277T1134-W1184 VanDerWaalsContact OG1-CH2 3.25Å; T1134-W1184 WeakPolarHBondContact OG1-CH2 3.07Å; L1135-W1184 HydrophobicContact CD2-CH2 3.81Å; L1135-W1184 HydrophobicContact CD2-CZ2 4.3Å; L1135-W1184 HydrophobicContact CG-CH2 3.99Å; L1135-W1184 HydrophobicContact CG-CZ2 4.45Å; M1160-W1184 HydrophobicContact CE-CD2 4.06Å; M1160-W1184 HydrophobicContact CE-CG 4.21Å; M1160-W1184 HydrophobicContact CE-CZ2 4.29Å; T1180-W1184 VanDerWaalsContact O-CD1 3.27Å; T1180-W1184 PolarHBondContact O-N 2.75Å; L1181-W1184 PolarHBondContact O-N 2.72Å; W1184-L1187 HydrophobicContact CE3-CD2 4.16Å; W1184-L1187 HydrophobicContact CZ3-CD2 4.1Å; W1184-L1187 PolarHBondContact O-N 3.4Å; W1184-L1188 PolarHBondContact O-N 2.94Å; W1184-L1270 HydrophobicContact CE3-CD2 3.62Å; W1184-L1270 HydrophobicContact CZ3-CD2 3.61Å; W1184-Q1273 HydrophobicContact CZ3-CG 4.49Å; W1184-F1277 HydrophobicContact CB-CE2 4.48Å; W1184-F1277 AromaticContact CD1-CE2 3.61Å; W1184-F1277 AromaticContact CD2-CE2 3.83Å; W1184-F1277 HydrophobicContact CD2-CE2 3.83Å; W1184-F1277 HydrophobicContact CD2-CZ 4.33Å; W1184-F1277 AromaticContact CE2-CE2 3.79Å; W1184-F1277 AromaticContact CE2-CZ 3.81Å; W1184-F1277 AromaticContact CG-CE2 3.74Å; W1184-F1277 HydrophobicContact CG-CE2 3.74Å; W1184-F1277 HydrophobicContact CG-CZ 4.49Å; W1184-F1277 HydrophobicContact CZ2-CE2 4.5Å; W1184-F1277 HydrophobicContact CZ2-CZ 4.21Å; W1184-F1277 AromaticContact NE1-CE2 3.64Å; W1184-F1277 AromaticContact NE1-CZ 3.64Å
1185N89.8Confident84.8Confident67 Ų6746.1 Ų46.136%0.35822%0.221SC..Hα-helixtrans-71.6-29.1174.3-70.6-3000112.2L1181 G1189L1181-N1185 VanDerWaalsContact O-CB 3.27Å; L1181-N1185 WeakPolarHBondContact O-CB 3.05Å; L1181-N1185 PolarHBondContact O-N 3.4Å; L1181-N1185 PolarHBondContact O-OD1 2.83Å; N1185-G1189 PolarHBondContact O-N 3.07Å
1186A90.5Very high86.7Confident52 Ų5237.8 Ų37.843%0.4319%0.194SC..Hα-helixtrans-68.4-38.2169.600000111.4K1182 R1183 G1189 Y1190K1182-A1186 WeakPolarHBondContact O-CB 3.47Å; K1182-A1186 PolarHBondContact O-N 3.41Å; R1183-A1186 PolarHBondContact O-N 3.21Å; A1186-G1189 PolarHBondContact O-N 3.37Å; A1186-Y1190 WeakPolarHBondContact O-CB 3.45Å; A1186-Y1190 PolarHBondContact O-N 2.97Å
1187L91.7Very high88Confident2 Ų239.2 Ų39.21%0.0120%0.197CC..Hα-helixtrans-67.6-40.6172.7-176.157.6000112.1T1138 F1156 R1183 W1184 Y1190 T1191 L1270T1138-L1187 HydrophobicContact CG2-CD2 4.21Å; F1156-L1187 HydrophobicContact CB-CD1 4.19Å; R1183-L1187 PolarHBondContact O-N 3.49Å; W1184-L1187 HydrophobicContact CE3-CD2 4.16Å; W1184-L1187 HydrophobicContact CZ3-CD2 4.1Å; W1184-L1187 PolarHBondContact O-N 3.4Å; L1187-Y1190 WeakPolarHBondContact O-CB 3.34Å; L1187-Y1190 PolarHBondContact O-N 2.83Å; L1187-T1191 PolarHBondContact O-N 2.86Å; L1187-T1191 PolarHBondContact O-OG1 3.05Å; L1187-L1270 HydrophobicContact CD2-CD2 3.97Å; L1187-L1270 HydrophobicContact CG-CD1 4.25Å; L1187-L1270 HydrophobicContact CG-CD2 4.16Å
1188L92.3Very high88.8Confident6 Ų640.1 Ų40.13%0.03120%0.201CC..Hα-helixtrans-61.7-47.1171.1179.567.1000111.4W1184 Y1190 T1191 L1192 L1267 L1270 I1274W1184-L1188 PolarHBondContact O-N 2.94Å; L1188-Y1190 VanDerWaalsContact C-N 3.27Å; L1188-Y1190 PolarHBondContact O-N 2.98Å; L1188-T1191 WeakPolarHBondContact CA-OG1 3.44Å; L1188-T1191 PolarHBondContact O-N 2.7Å; L1188-T1191 VanDerWaalsContact O-N 3.16Å; L1188-T1191 PolarHBondContact O-OG1 2.86Å; L1188-L1192 HydrophobicContact CD1-CD1 4.33Å; L1188-L1192 HydrophobicContact CD1-CG 4.45Å; L1188-L1192 HydrophobicContact CG-CD1 4.02Å; L1188-L1192 WeakPolarHBondContact O-CG 3.1Å; L1188-L1192 PolarHBondContact O-N 3.1Å; L1188-L1267 HydrophobicContact CD1-CD1 3.55Å; L1188-L1270 HydrophobicContact CD1-CB 4.17Å; L1188-I1274 HydrophobicContact CB-CD1 4.24Å; L1188-I1274 HydrophobicContact CD2-CD1 3.74Å; L1188-I1274 HydrophobicContact CG-CD1 4.43Å
1189G92.1Very high89.5Confident25 Ų2536.1 Ų36.126%0.25818%0.183SC..Hα-helixtrans-58.8-39.4175.300000111.9N1185 A1186 L1192 F1193N1185-G1189 PolarHBondContact O-N 3.07Å; A1186-G1189 PolarHBondContact O-N 3.37Å; G1189-L1192 PolarHBondContact O-N 3.21Å; G1189-F1193 VanDerWaalsContact O-CB 3.23Å; G1189-F1193 WeakPolarHBondContact O-CB 3.01Å; G1189-F1193 PolarHBondContact O-N 2.89Å
1190Y93.3Very high90.1Very high41 Ų4134.9 Ų34.916%0.16118%0.182CC..Hα-helixtrans-63.6-46.5172.8-172.7-101.1000111.9F1149 G1152 Y1153 F1156 A1186 L1187 L1188 L1192 F1193 T1194F1149-Y1190 WeakPolarHBondContact CA-OH 3.02Å; F1149-Y1190 PolarHBondContact O-OH 2.94Å; G1152-Y1190 WeakPolarHBondContact CA-OH 2.93Å; Y1153-Y1190 AromaticContact CD1-CD1 3.75Å; Y1153-Y1190 HydrophobicContact CD1-CD1 3.75Å; Y1153-Y1190 AromaticContact CD1-CE1 3.62Å; Y1153-Y1190 HydrophobicContact CD1-CE1 3.62Å; Y1153-Y1190 HydrophobicContact CD2-CE1 4.38Å; Y1153-Y1190 AromaticContact CE1-CD1 3.5Å; Y1153-Y1190 HydrophobicContact CE1-CD1 3.5Å; Y1153-Y1190 VanDerWaalsContact CE1-CD1 3.5Å; Y1153-Y1190 AromaticContact CE1-CE1 3.59Å; Y1153-Y1190 HydrophobicContact CE1-CE1 3.59Å; Y1153-Y1190 HydrophobicContact CE2-CE1 4.37Å; Y1153-Y1190 HydrophobicContact CG-CE1 4.02Å; Y1153-Y1190 AromaticContact CZ-CE1 3.99Å; F1156-Y1190 HydrophobicContact CD2-CD1 4.34Å; F1156-Y1190 HydrophobicContact CD2-CG 4.31Å; F1156-Y1190 HydrophobicContact CE2-CD1 4.44Å; F1156-Y1190 AromaticContact CE2-CD2 3.92Å; F1156-Y1190 HydrophobicContact CE2-CD2 3.92Å; F1156-Y1190 HydrophobicContact CE2-CE2 4.33Å; F1156-Y1190 AromaticContact CE2-CG 3.98Å; F1156-Y1190 HydrophobicContact CE2-CG 3.98Å; A1186-Y1190 WeakPolarHBondContact O-CB 3.45Å; A1186-Y1190 PolarHBondContact O-N 2.97Å; L1187-Y1190 WeakPolarHBondContact O-CB 3.34Å; L1187-Y1190 PolarHBondContact O-N 2.83Å; L1188-Y1190 VanDerWaalsContact C-N 3.27Å; L1188-Y1190 PolarHBondContact O-N 2.98Å; Y1190-L1192 VanDerWaalsContact C-N 3.34Å; Y1190-L1192 PolarHBondContact O-N 3Å; Y1190-F1193 PolarHBondContact O-N 3.07Å; Y1190-T1194 HydrophobicContact CD1-CG2 4.14Å; Y1190-T1194 HydrophobicContact CE1-CG2 3.71Å; Y1190-T1194 HydrophobicContact CE2-CG2 4.28Å; Y1190-T1194 WeakPolarHBondContact O-CG2 3.43Å; Y1190-T1194 PolarHBondContact O-N 3.18Å; Y1190-T1194 PolarHBondContact O-OG1 2.91Å
1191T93.3Very high90.5Very high0 Ų036.2 Ų36.20%019%0.188CC..Hα-helixtrans-62.4-36.4174.949.40000113.7Y1153 L1187 L1188 T1194 I1195 A1266 L1270Y1153-T1191 HydrophobicContact CE1-CG2 3.67Å; L1187-T1191 PolarHBondContact O-N 2.86Å; L1187-T1191 PolarHBondContact O-OG1 3.05Å; L1188-T1191 WeakPolarHBondContact CA-OG1 3.44Å; L1188-T1191 PolarHBondContact O-N 2.7Å; L1188-T1191 VanDerWaalsContact O-N 3.16Å; L1188-T1191 PolarHBondContact O-OG1 2.86Å; T1191-T1194 WeakPolarHBondContact CA-OG1 3.48Å; T1191-T1194 PolarHBondContact O-OG1 3.25Å; T1191-I1195 WeakPolarHBondContact O-CD1 3.5Å; T1191-I1195 VanDerWaalsContact O-CG1 3.25Å; T1191-I1195 WeakPolarHBondContact O-CG1 3.43Å; T1191-I1195 PolarHBondContact O-N 2.75Å; T1191-I1195 VanDerWaalsContact O-N 3.14Å; T1191-A1266 HydrophobicContact CG2-CB 4.25Å; T1191-L1270 HydrophobicContact CG2-CD1 3.57Å
1192L93.7Very high90.7Very high6 Ų635.2 Ų35.23%0.03118%0.183CC..Hα-helixtrans-72.3-35.9177-69169.2000111.1L988 V989 A992 L993 L1188 G1189 Y1190 T1196 L1267L988-L1192 HydrophobicContact CD2-CD2 4.34Å; L988-L1192 HydrophobicContact CG-CD2 4.19Å; V989-L1192 HydrophobicContact CG2-CB 4.22Å; A992-L1192 HydrophobicContact CB-CD1 3.81Å; A992-L1192 HydrophobicContact CB-CD2 4.45Å; L993-L1192 HydrophobicContact CD2-CD1 3.99Å; L993-L1192 HydrophobicContact CG-CD1 4.19Å; L1188-L1192 HydrophobicContact CD1-CD1 4.33Å; L1188-L1192 HydrophobicContact CD1-CG 4.45Å; L1188-L1192 HydrophobicContact CG-CD1 4.02Å; L1188-L1192 WeakPolarHBondContact O-CG 3.1Å; L1188-L1192 PolarHBondContact O-N 3.1Å; G1189-L1192 PolarHBondContact O-N 3.21Å; Y1190-L1192 VanDerWaalsContact C-N 3.34Å; Y1190-L1192 PolarHBondContact O-N 3Å; L1192-T1196 WeakPolarHBondContact O-CB 3.46Å; L1192-T1196 PolarHBondContact O-N 3.44Å; L1192-T1196 PolarHBondContact O-OG1 3.22Å; L1192-L1267 HydrophobicContact CD2-CD1 3.86Å; L1192-L1267 HydrophobicContact CD2-CD2 4.41Å; L1192-L1267 HydrophobicContact CG-CD1 4.36Å
1193F92.4Very high90.6Very high104 Ų10432.2 Ų32.246%0.45617%0.172SC..Hα-helixtrans-66.5-45.3173.9175.9-100.8000112F1149 G1189 Y1190 T1196 M1197F1149-F1193 HydrophobicContact CE1-CE1 4.48Å; G1189-F1193 VanDerWaalsContact O-CB 3.23Å; G1189-F1193 WeakPolarHBondContact O-CB 3.01Å; G1189-F1193 PolarHBondContact O-N 2.89Å; Y1190-F1193 PolarHBondContact O-N 3.07Å; F1193-T1196 PolarHBondContact O-N 3.32Å; F1193-M1197 HydrophobicContact CD1-CG 4.21Å; F1193-M1197 HydrophobicContact CD2-CE 4.43Å; F1193-M1197 HydrophobicContact CD2-CG 3.91Å; F1193-M1197 HydrophobicContact CE1-CG 3.87Å; F1193-M1197 HydrophobicContact CE2-CE 3.97Å; F1193-M1197 HydrophobicContact CE2-CG 3.54Å; F1193-M1197 HydrophobicContact CE2-SD 3.95Å; F1193-M1197 HydrophobicContact CG-CG 4.24Å; F1193-M1197 HydrophobicContact CZ-CG 3.52Å; F1193-M1197 HydrophobicContact CZ-SD 4.07Å; F1193-M1197 VanDerWaalsContact O-CB 3.29Å; F1193-M1197 WeakPolarHBondContact O-CB 3.31Å; F1193-M1197 VanDerWaalsContact O-CG 3.25Å; F1193-M1197 WeakPolarHBondContact O-CG 3.46Å; F1193-M1197 PolarHBondContact O-N 3.41Å
1194T91.4Very high90.5Very high0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-63.6-43177.652.10000111.9F1149 Y1153 Y1190 T1191 K1198F1149-T1194 HydrophobicContact CB-CG2 4.11Å; F1149-T1194 HydrophobicContact CD1-CG2 3.93Å; F1149-T1194 HydrophobicContact CG-CG2 4.3Å; Y1153-T1194 PolarHBondContact OH-OG1 3.01Å; Y1190-T1194 HydrophobicContact CD1-CG2 4.14Å; Y1190-T1194 HydrophobicContact CE1-CG2 3.71Å; Y1190-T1194 HydrophobicContact CE2-CG2 4.28Å; Y1190-T1194 WeakPolarHBondContact O-CG2 3.43Å; Y1190-T1194 PolarHBondContact O-N 3.18Å; Y1190-T1194 PolarHBondContact O-OG1 2.91Å; T1191-T1194 WeakPolarHBondContact CA-OG1 3.48Å; T1191-T1194 PolarHBondContact O-OG1 3.25Å; T1194-K1198 VanDerWaalsContact O-CB 3.32Å; T1194-K1198 WeakPolarHBondContact O-CB 3.38Å; T1194-K1198 WeakPolarHBondContact O-CG 3.28Å; T1194-K1198 PolarHBondContact O-N 2.85Å
1195I92.2Very high90.1Very high3 Ų333.1 Ų33.12%0.01518%0.179CC..Hα-helixtrans-59.7-52.3173.7-68.7167.1000110.4I973 T1191 M1197 K1198 V1199 I1260 D1263 V1264 L1267I973-I1195 HydrophobicContact CG2-CG2 4.34Å; T1191-I1195 WeakPolarHBondContact O-CD1 3.5Å; T1191-I1195 VanDerWaalsContact O-CG1 3.25Å; T1191-I1195 WeakPolarHBondContact O-CG1 3.43Å; T1191-I1195 PolarHBondContact O-N 2.75Å; T1191-I1195 VanDerWaalsContact O-N 3.14Å; I1195-M1197 PolarHBondContact O-N 3.14Å; I1195-K1198 PolarHBondContact O-N 3.25Å; I1195-V1199 WeakPolarHBondContact O-CG2 3.34Å; I1195-V1199 PolarHBondContact O-N 3.09Å; I1195-I1260 HydrophobicContact CG2-CD1 4.08Å; I1195-D1263 HydrophobicContact CD1-CB 4.08Å; I1195-D1263 HydrophobicContact CG1-CB 3.61Å; I1195-V1264 HydrophobicContact CD1-CG2 4.35Å; I1195-L1267 HydrophobicContact CD1-CB 4.4Å; I1195-L1267 HydrophobicContact CD1-CD2 4.06Å
1196T92Very high89.9Confident36 Ų3630 Ų3022%0.22116%0.163CC..Hα-helixtrans-61-45.2-178.1-53.60000111.3L1192 F1193 V1199 C1200L1192-T1196 WeakPolarHBondContact O-CB 3.46Å; L1192-T1196 PolarHBondContact O-N 3.44Å; L1192-T1196 PolarHBondContact O-OG1 3.22Å; F1193-T1196 PolarHBondContact O-N 3.32Å; T1196-V1199 PolarHBondContact O-N 3Å; T1196-C1200 WeakPolarHBondContact O-CB 3.47Å; T1196-C1200 PolarHBondContact O-N 3.41Å; T1196-C1200 PolarHBondContact O-SG 3.41Å
1197M90.5Very high89.5Confident67 Ų6727.7 Ų27.733%0.3314%0.143SC..Hα-helixtrans-66.2-42178.5-72-67.1117.100112.4F1149 F1193 I1195 V1199 C1200 L1201F1149-M1197 HydrophobicContact CE1-CB 4.47Å; F1149-M1197 HydrophobicContact CZ-CB 4.28Å; F1193-M1197 HydrophobicContact CD1-CG 4.21Å; F1193-M1197 HydrophobicContact CD2-CE 4.43Å; F1193-M1197 HydrophobicContact CD2-CG 3.91Å; F1193-M1197 HydrophobicContact CE1-CG 3.87Å; F1193-M1197 HydrophobicContact CE2-CE 3.97Å; F1193-M1197 HydrophobicContact CE2-CG 3.54Å; F1193-M1197 HydrophobicContact CE2-SD 3.95Å; F1193-M1197 HydrophobicContact CG-CG 4.24Å; F1193-M1197 HydrophobicContact CZ-CG 3.52Å; F1193-M1197 HydrophobicContact CZ-SD 4.07Å; F1193-M1197 VanDerWaalsContact O-CB 3.29Å; F1193-M1197 WeakPolarHBondContact O-CB 3.31Å; F1193-M1197 VanDerWaalsContact O-CG 3.25Å; F1193-M1197 WeakPolarHBondContact O-CG 3.46Å; F1193-M1197 PolarHBondContact O-N 3.41Å; I1195-M1197 PolarHBondContact O-N 3.14Å; M1197-V1199 PolarHBondContact O-N 3.32Å; M1197-C1200 PolarHBondContact O-N 3.38Å; M1197-L1201 VanDerWaalsContact O-CB 3.29Å; M1197-L1201 WeakPolarHBondContact O-CB 3.36Å; M1197-L1201 WeakPolarHBondContact O-CG 3.31Å; M1197-L1201 PolarHBondContact O-N 3.41Å
1198K90.5Very high89.1Confident23 Ų2330.7 Ų30.710%0.116%0.156CC..Hα-helixtrans-62.2-41.1176.3-80.6-178.5170.6-177.10112T1194 I1195 L1201 Q1202 E1257 N1259 I1260 D1263T1194-K1198 VanDerWaalsContact O-CB 3.32Å; T1194-K1198 WeakPolarHBondContact O-CB 3.38Å; T1194-K1198 WeakPolarHBondContact O-CG 3.28Å; T1194-K1198 PolarHBondContact O-N 2.85Å; I1195-K1198 PolarHBondContact O-N 3.25Å; K1198-L1201 PolarHBondContact O-N 2.87Å; K1198-Q1202 PolarHBondContact O-N 2.82Å; K1198-E1257 WeakPolarHBondContact CE-O 3.41Å; K1198-E1257 PolarHBondContact NZ-O 2.79Å; K1198-N1259 PolarHBondContact NZ-O 2.9Å; K1198-I1260 HydrophobicContact CB-CG2 3.61Å; K1198-I1260 HydrophobicContact CD-CG2 3.65Å; K1198-I1260 HydrophobicContact CG-CG2 4.3Å; K1198-D1263 IonicContact NZ-OD2 3.66Å; K1198-D1263 PolarHBondContact NZ-OD2 2.9Å
1199V90.8Very high88.5Confident4 Ų431.4 Ų31.42%0.02416%0.16CC..Hα-helixtrans-64.9-46174.7174.90000110.9I973 M977 A981 A982 I1195 T1196 M1197 L1201 Q1202 I1260I973-V1199 HydrophobicContact CG2-CG2 3.9Å; M977-V1199 HydrophobicContact CE-CG2 4.16Å; M977-V1199 HydrophobicContact SD-CG2 3.87Å; A981-V1199 HydrophobicContact CB-CG1 4.47Å; A982-V1199 HydrophobicContact CB-CG1 4.08Å; I1195-V1199 WeakPolarHBondContact O-CG2 3.34Å; I1195-V1199 PolarHBondContact O-N 3.09Å; T1196-V1199 PolarHBondContact O-N 3Å; M1197-V1199 PolarHBondContact O-N 3.32Å; V1199-L1201 VanDerWaalsContact C-N 3.33Å; V1199-L1201 PolarHBondContact O-N 3.33Å; V1199-Q1202 WeakPolarHBondContact O-CB 3.32Å; V1199-Q1202 PolarHBondContact O-N 3.4Å; V1199-I1260 HydrophobicContact CG2-CD1 4.43Å
1200C89.3Confident87.9Confident47 Ų4733.5 Ų33.532%0.31817%0.171SC..Hα-helixtrans-63.3-35.6175.4-66.90000113.2T1196 M1197 Q1202 I1203T1196-C1200 WeakPolarHBondContact O-CB 3.47Å; T1196-C1200 PolarHBondContact O-N 3.41Å; T1196-C1200 PolarHBondContact O-SG 3.41Å; M1197-C1200 PolarHBondContact O-N 3.38Å; C1200-Q1202 VanDerWaalsContact C-N 3.26Å; C1200-Q1202 PolarHBondContact O-N 3.29Å; C1200-I1203 PolarHBondContact O-N 2.9Å
1201L88.4Confident87.4Confident40 Ų4038.9 Ų38.921%0.20919%0.191CC..Hα-helixtrans-70.4-17.3177.7-75.5170.5000113.4F1149 M1197 K1198 V1199 I1203 F1204 G1205 I1231F1149-L1201 HydrophobicContact CE2-CD1 4.11Å; F1149-L1201 HydrophobicContact CZ-CD1 4.12Å; M1197-L1201 VanDerWaalsContact O-CB 3.29Å; M1197-L1201 WeakPolarHBondContact O-CB 3.36Å; M1197-L1201 WeakPolarHBondContact O-CG 3.31Å; M1197-L1201 PolarHBondContact O-N 3.41Å; K1198-L1201 PolarHBondContact O-N 2.87Å; V1199-L1201 VanDerWaalsContact C-N 3.33Å; V1199-L1201 PolarHBondContact O-N 3.33Å; L1201-I1203 VanDerWaalsContact C-N 3.28Å; L1201-I1203 PolarHBondContact O-N 2.81Å; L1201-F1204 HydrophobicContact CD2-CD2 4.5Å; L1201-F1204 PolarHBondContact O-N 3.17Å; L1201-G1205 PolarHBondContact O-N 3.24Å; L1201-I1231 HydrophobicContact CD2-CD1 4.41Å
1202Q88.2Confident86.8Confident6 Ų639.5 Ų39.53%0.02819%0.194CC..Hα-helixtrans-62.4-36.3171-71.1-54.2-6100112.2M977 L1052 K1198 V1199 C1200 F1204 G1205 C1206 T1232M977-Q1202 HydrophobicContact CE-CG 3.82Å; L1052-Q1202 HydrophobicContact CD1-CB 4.48Å; K1198-Q1202 PolarHBondContact O-N 2.82Å; V1199-Q1202 WeakPolarHBondContact O-CB 3.32Å; V1199-Q1202 PolarHBondContact O-N 3.4Å; C1200-Q1202 VanDerWaalsContact C-N 3.26Å; C1200-Q1202 PolarHBondContact O-N 3.29Å; Q1202-F1204 VanDerWaalsContact C-N 3.29Å; Q1202-F1204 PolarHBondContact O-N 3.06Å; Q1202-G1205 PolarHBondContact O-N 2.94Å; Q1202-C1206 WeakPolarHBondContact O-CB 3.33Å; Q1202-C1206 PolarHBondContact O-N 3.25Å; Q1202-C1206 PolarHBondContact O-SG 3.47Å; Q1202-C1206 VanDerWaalsContact O-SG 3.35Å; Q1202-T1232 PolarHBondContact NE2-O 3.27Å; Q1202-T1232 VanDerWaalsContact NE2-O 3.15Å
1203I82.9Confident86.1Confident55 Ų5543.1 Ų43.128%0.28221%0.213SC..Hα-helixtrans-59-44.8175.4-47.3-171.1000110L1052 C1200 L1201 V1207 F1208L1052-I1203 HydrophobicContact CD2-CD1 4.26Å; L1052-I1203 HydrophobicContact CD2-CG1 3.76Å; C1200-I1203 PolarHBondContact O-N 2.9Å; L1201-I1203 VanDerWaalsContact C-N 3.28Å; L1201-I1203 PolarHBondContact O-N 2.81Å; I1203-V1207 WeakPolarHBondContact O-CB 3.19Å; I1203-V1207 PolarHBondContact O-N 3.42Å; I1203-F1208 HydrophobicContact CG2-CE2 4.33Å
1204F84.4Confident85.3Confident109 Ų10942.1 Ų42.148%0.47821%0.21SC..Hα-helixtrans-69.4-39.9176.6-70.1-82.7000113L1201 Q1202 F1208 L1209L1201-F1204 HydrophobicContact CD2-CD2 4.5Å; L1201-F1204 PolarHBondContact O-N 3.17Å; Q1202-F1204 VanDerWaalsContact C-N 3.29Å; Q1202-F1204 PolarHBondContact O-N 3.06Å; F1204-F1208 HydrophobicContact CD1-CB 4.3Å; F1204-F1208 HydrophobicContact CD1-CD2 4.21Å; F1204-F1208 HydrophobicContact CD1-CG 4.47Å; F1204-F1208 CarbonylContact O-C 3.58Å; F1204-F1208 WeakPolarHBondContact O-CA 3.3Å; F1204-F1208 PolarHBondContact O-N 3.24Å; F1204-L1209 PolarHBondContact O-N 2.73Å
1205G81.6Confident84.2Confident2 Ų247.9 Ų47.92%0.02125%0.25CS..Hα-helixtrans-72.5-33.6-178.400000115L1201 Q1202L1201-G1205 PolarHBondContact O-N 3.24Å; Q1202-G1205 PolarHBondContact O-N 2.94Å
1206C86.1Confident83.4Confident2 Ų250.3 Ų50.31%0.01428%0.276CS..Hα-helixtrans-92.4-25.3-177.9-58.10000114N1048 Q1202 C1233N1048-C1206 PolarHBondContact ND2-O 2.68Å; Q1202-C1206 WeakPolarHBondContact O-CB 3.33Å; Q1202-C1206 PolarHBondContact O-N 3.25Å; Q1202-C1206 PolarHBondContact O-SG 3.47Å; Q1202-C1206 VanDerWaalsContact O-SG 3.35Å; C1206-C1233 HydrophobicContact CB-CB 3.89Å; C1206-C1233 WeakPolarHBondContact CB-SG 3.29Å; C1206-C1233 WeakPolarHBondContact SG-CA 3.22Å; C1206-C1233 WeakPolarHBondContact SG-CB 3.35Å; C1206-C1233 CovalentContact SG-SG 2.04Å; C1206-C1233 PolarHBondContact SG-SG 2.98Å
1207V83Confident82.7Confident4 Ų451.4 Ų51.42%0.02430%0.295CS..Hα-helixtrans-114.1-41.3-175.7-1760000112.6A1045 N1048 L1049 I1203A1045-V1207 HydrophobicContact CB-CG1 4.43Å; N1048-V1207 HydrophobicContact CB-CG2 4.15Å; L1049-V1207 HydrophobicContact CB-CG1 4.34Å; L1049-V1207 HydrophobicContact CB-CG2 4.01Å; L1049-V1207 HydrophobicContact CD1-CG2 4.34Å; I1203-V1207 WeakPolarHBondContact O-CB 3.19Å; I1203-V1207 PolarHBondContact O-N 3.42Å
1208F82.9Confident82.3Confident64 Ų6456.6 Ų56.628%0.28131%0.311SS..SBendtrans-104.718.7-169.5-62-79.9000114.3Y1041 I1203 F1204 S1210 W1211Y1041-F1208 HydrophobicContact CE1-CD1 4.4Å; Y1041-F1208 AromaticContact CE1-CE1 3.7Å; Y1041-F1208 HydrophobicContact CE1-CE1 3.7Å; Y1041-F1208 HydrophobicContact CE1-CZ 4.39Å; Y1041-F1208 AromaticContact CZ-CE1 3.89Å; I1203-F1208 HydrophobicContact CG2-CE2 4.33Å; F1204-F1208 HydrophobicContact CD1-CB 4.3Å; F1204-F1208 HydrophobicContact CD1-CD2 4.21Å; F1204-F1208 HydrophobicContact CD1-CG 4.47Å; F1204-F1208 CarbonylContact O-C 3.58Å; F1204-F1208 WeakPolarHBondContact O-CA 3.3Å; F1204-F1208 PolarHBondContact O-N 3.24Å; F1208-S1210 PolarHBondContact O-N 2.81Å; F1208-W1211 WeakPolarHBondContact O-CB 3.4Å; F1208-W1211 PolarHBondContact O-N 2.86Å; F1208-W1211 VanDerWaalsContact O-N 3.11Å
1209L80.1Confident81.8Confident21 Ų2155.9 Ų55.911%0.1131%0.31CS..G310 helixtrans-60.2-29.7-178.1-163.170.7000112.8F1204 W1211 F1212 L1241F1204-L1209 PolarHBondContact O-N 2.73Å; L1209-W1211 PolarHBondContact O-N 3.28Å; L1209-F1212 PolarHBondContact O-N 2.85Å; L1209-F1212 VanDerWaalsContact O-N 3.14Å; L1209-L1241 HydrophobicContact CB-CD1 3.77Å
1210S79.3Confident81.3Confident70 Ų7063.3 Ų63.349%0.4934%0.342SS..G310 helixtrans-56.9-26.3175.955.90000114.1F1208 F1212 D1213F1208-S1210 PolarHBondContact O-N 2.81Å; S1210-F1212 PolarHBondContact O-N 3.36Å; S1210-D1213 PolarHBondContact O-N 3.29Å
1211W81.9Confident81Confident153 Ų15364.6 Ų64.658%0.5835%0.348SS*.G310 helixtrans-69.5-20.6179.7-171.579.4000113.5F1208 L1209 L1222F1208-W1211 WeakPolarHBondContact O-CB 3.4Å; F1208-W1211 PolarHBondContact O-N 2.86Å; F1208-W1211 VanDerWaalsContact O-N 3.11Å; L1209-W1211 PolarHBondContact O-N 3.28Å; W1211-L1222 HydrophobicContact CE3-CD2 4.42Å; W1211-L1222 HydrophobicContact CH2-CD2 4.07Å; W1211-L1222 HydrophobicContact CZ3-CD2 3.74Å
1212F80.7Confident80.8Confident13 Ų1363.1 Ų63.16%0.05734%0.341CS..G310 helixtrans-85.3-15.6179.6-66.7-87.4000113.8L1209 S1210 Q1214 L1222 V1225 R1226 I1231 F1247L1209-F1212 PolarHBondContact O-N 2.85Å; L1209-F1212 VanDerWaalsContact O-N 3.14Å; S1210-F1212 PolarHBondContact O-N 3.36Å; F1212-Q1214 VanDerWaalsContact C-N 3.29Å; F1212-Q1214 PolarHBondContact O-N 3.48Å; F1212-Q1214 VanDerWaalsContact O-N 3.09Å; F1212-L1222 HydrophobicContact CD1-CB 4.21Å; F1212-L1222 HydrophobicContact CD1-CD2 4.3Å; F1212-V1225 HydrophobicContact CE1-CG1 4.27Å; F1212-R1226 HydrophobicContact CD1-CB 4.24Å; F1212-I1231 HydrophobicContact CE1-CD1 4.13Å; F1212-I1231 HydrophobicContact CE2-CD1 4.46Å; F1212-I1231 HydrophobicContact CE2-CG2 4.37Å; F1212-I1231 HydrophobicContact CZ-CD1 3.64Å; F1212-F1247 HydrophobicContact CB-CE1 3.84Å; F1212-F1247 HydrophobicContact CB-CZ 3.69Å; F1212-F1247 VanDerWaalsContact O-CZ 3.32Å; F1212-F1247 WeakPolarHBondContact O-CZ 3.47Å
1213D78.6Confident80.6Confident83 Ų8364 Ų6444%0.44435%0.347SS..  trans-87.462.2-178.8-169.223.7000112.1S1210 L1244 F1247S1210-D1213 PolarHBondContact O-N 3.29Å; D1213-L1244 HydrophobicContact CB-CD2 3.54Å; D1213-F1247 HydrophobicContact CB-CB 4.25Å; D1213-F1247 HydrophobicContact CB-CD1 4.04Å; D1213-F1247 HydrophobicContact CB-CD2 3.77Å; D1213-F1247 HydrophobicContact CB-CE1 4.33Å; D1213-F1247 HydrophobicContact CB-CE2 4.1Å; D1213-F1247 HydrophobicContact CB-CG 3.74Å; D1213-F1247 HydrophobicContact CB-CZ 4.38Å; D1213-F1247 WeakPolarHBondContact OD1-CD2 3.22Å
1214Q75.7Confident80.7Confident83 Ų8364.8 Ų64.839%0.38835%0.351SS..  trans-95.2142.7167.9-63.2-170.5-8.900109.9F1212 G1219 L1222F1212-Q1214 VanDerWaalsContact C-N 3.29Å; F1212-Q1214 PolarHBondContact O-N 3.48Å; F1212-Q1214 VanDerWaalsContact O-N 3.09Å; Q1214-G1219 WeakPolarHBondContact O-CA 3.36Å; Q1214-L1222 HydrophobicContact CB-CD1 4.05Å; Q1214-L1222 HydrophobicContact CG-CD1 3.89Å
1215S70Confident80.8Confident120 Ų12062.2 Ų62.284%0.83935%0.345SS*.  trans-83.9154.9174.858.70000112.3
1216G75.1Confident81Confident55 Ų5562.6 Ų62.657%0.56735%0.345SS*.SBendtrans91.5-158.1176.100000115.4W1218 G1219 K1220G1216-W1218 PolarHBondContact O-N 2.99Å; G1216-G1219 PolarHBondContact O-N 3.12Å; G1216-K1220 PolarHBondContact O-N 3.4Å
1217G77.3Confident80.9Confident59 Ų5963.4 Ų63.461%0.60835%0.349SS*.Hα-helixtrans-63.7-38.6-175.200000113.5G1219 K1220 T1221G1217-G1219 VanDerWaalsContact C-N 3.34Å; G1217-K1220 PolarHBondContact O-N 3.02Å; G1217-T1221 PolarHBondContact O-N 3.23Å
1218W81.2Confident81.1Confident175 Ų17565.5 Ų65.566%0.66336%0.36SS*.Hα-helixtrans-64.1-37.8173.5-10172.8000112.2G1216 K1220 T1221 L1222G1216-W1218 PolarHBondContact O-N 2.99Å; W1218-K1220 PolarHBondContact O-N 2.86Å; W1218-T1221 WeakPolarHBondContact CA-OG1 3.32Å; W1218-T1221 PolarHBondContact O-N 3.33Å; W1218-T1221 VanDerWaalsContact O-N 3.13Å; W1218-T1221 PolarHBondContact O-OG1 3.05Å; W1218-L1222 HydrophobicContact CE3-CD1 4.44Å; W1218-L1222 WeakPolarHBondContact O-CG 3.31Å; W1218-L1222 PolarHBondContact O-N 3.4Å
1219G80.4Confident81.2Confident9 Ų965.9 Ų65.99%0.09336%0.362CS..Hα-helixtrans-55.6-45.7171.300000113.8Q1214 G1216 G1217 T1221 L1222 C1223Q1214-G1219 WeakPolarHBondContact O-CA 3.36Å; G1216-G1219 PolarHBondContact O-N 3.12Å; G1217-G1219 VanDerWaalsContact C-N 3.34Å; G1219-T1221 VanDerWaalsContact C-N 3.35Å; G1219-T1221 PolarHBondContact O-N 3.46Å; G1219-L1222 PolarHBondContact O-N 3.06Å; G1219-C1223 WeakPolarHBondContact O-CB 3.49Å; G1219-C1223 PolarHBondContact O-N 2.99Å
1220K79.2Confident81.5Confident160 Ų16065.2 Ų65.270%0.69636%0.358SS*.Hα-helixtrans-61.8-41.8174.6-69.1-173.3176.7-176.40111.7G1216 G1217 W1218 C1223 I1224G1216-K1220 PolarHBondContact O-N 3.4Å; G1217-K1220 PolarHBondContact O-N 3.02Å; W1218-K1220 PolarHBondContact O-N 2.86Å; K1220-C1223 PolarHBondContact O-N 3.34Å; K1220-I1224 WeakPolarHBondContact O-CD1 3.46Å; K1220-I1224 VanDerWaalsContact O-CG1 3.25Å; K1220-I1224 WeakPolarHBondContact O-CG1 3.43Å; K1220-I1224 PolarHBondContact O-N 3.18Å
1221T84Confident81.8Confident73 Ų7362.4 Ų62.445%0.44834%0.338SS..Hα-helixtrans-67.2-37.9175.649.90000113G1217 W1218 G1219 I1224 V1225G1217-T1221 PolarHBondContact O-N 3.23Å; W1218-T1221 WeakPolarHBondContact CA-OG1 3.32Å; W1218-T1221 PolarHBondContact O-N 3.33Å; W1218-T1221 VanDerWaalsContact O-N 3.13Å; W1218-T1221 PolarHBondContact O-OG1 3.05Å; G1219-T1221 VanDerWaalsContact C-N 3.35Å; G1219-T1221 PolarHBondContact O-N 3.46Å; T1221-I1224 PolarHBondContact O-N 3.05Å; T1221-V1225 WeakPolarHBondContact O-CG2 3.48Å; T1221-V1225 PolarHBondContact O-N 3.18Å
1222L84.8Confident81.9Confident10 Ų1056.2 Ų56.25%0.05232%0.317CS..Hα-helixtrans-68.2-38.1176.3-72.5173.9000112W1211 F1212 Q1214 W1218 G1219 V1225 R1226W1211-L1222 HydrophobicContact CE3-CD2 4.42Å; W1211-L1222 HydrophobicContact CH2-CD2 4.07Å; W1211-L1222 HydrophobicContact CZ3-CD2 3.74Å; F1212-L1222 HydrophobicContact CD1-CB 4.21Å; F1212-L1222 HydrophobicContact CD1-CD2 4.3Å; Q1214-L1222 HydrophobicContact CB-CD1 4.05Å; Q1214-L1222 HydrophobicContact CG-CD1 3.89Å; W1218-L1222 HydrophobicContact CE3-CD1 4.44Å; W1218-L1222 WeakPolarHBondContact O-CG 3.31Å; W1218-L1222 PolarHBondContact O-N 3.4Å; G1219-L1222 PolarHBondContact O-N 3.06Å; L1222-V1225 PolarHBondContact O-N 3.01Å; L1222-R1226 WeakPolarHBondContact O-CB 3.28Å; L1222-R1226 PolarHBondContact O-N 3.34Å
1223C84.2Confident82.2Confident23 Ų2357.2 Ų57.216%0.15533%0.325CS..Hα-helixtrans-62.9-43.6170.7176.40000112G1219 K1220 V1225 R1226 Q1227 C1251G1219-C1223 WeakPolarHBondContact O-CB 3.49Å; G1219-C1223 PolarHBondContact O-N 2.99Å; K1220-C1223 PolarHBondContact O-N 3.34Å; C1223-V1225 VanDerWaalsContact C-N 3.32Å; C1223-V1225 PolarHBondContact O-N 3.38Å; C1223-R1226 WeakPolarHBondContact O-CB 3.45Å; C1223-R1226 PolarHBondContact O-N 3.47Å; C1223-Q1227 WeakPolarHBondContact O-CG 3.36Å; C1223-Q1227 PolarHBondContact O-N 3.11Å; C1223-C1251 WeakPolarHBondContact CA-SG 3.38Å; C1223-C1251 HydrophobicContact CB-CB 3.98Å; C1223-C1251 WeakPolarHBondContact CB-SG 3.27Å; C1223-C1251 WeakPolarHBondContact SG-CB 3.48Å; C1223-C1251 CovalentContact SG-SG 2.04Å; C1223-C1251 PolarHBondContact SG-SG 2.8Å
1224I84.2Confident82.5Confident72 Ų7254.3 Ų54.337%0.36931%0.311SS..Hα-helixtrans-60.4-41.9173.9-68.8162.6000110.7K1220 T1221 Q1227 L1228 F1638K1220-I1224 WeakPolarHBondContact O-CD1 3.46Å; K1220-I1224 VanDerWaalsContact O-CG1 3.25Å; K1220-I1224 WeakPolarHBondContact O-CG1 3.43Å; K1220-I1224 PolarHBondContact O-N 3.18Å; T1221-I1224 PolarHBondContact O-N 3.05Å; I1224-Q1227 PolarHBondContact O-N 3.41Å; I1224-L1228 WeakPolarHBondContact O-CB 3.48Å; I1224-L1228 PolarHBondContact O-N 3.26Å; I1224-F1638 HydrophobicContact CG1-CB 4.31Å
1225V86.7Confident82.8Confident56 Ų5651.3 Ų51.334%0.33930%0.297SS..Hα-helixtrans-62.6-44.51751690000111.5F1212 T1221 L1222 C1223 Q1227 L1228 F1229F1212-V1225 HydrophobicContact CE1-CG1 4.27Å; T1221-V1225 WeakPolarHBondContact O-CG2 3.48Å; T1221-V1225 PolarHBondContact O-N 3.18Å; L1222-V1225 PolarHBondContact O-N 3.01Å; C1223-V1225 VanDerWaalsContact C-N 3.32Å; C1223-V1225 PolarHBondContact O-N 3.38Å; V1225-Q1227 VanDerWaalsContact C-N 3.33Å; V1225-Q1227 PolarHBondContact O-N 2.93Å; V1225-L1228 PolarHBondContact O-N 2.84Å; V1225-F1229 HydrophobicContact CG1-CD2 4.05Å; V1225-F1229 HydrophobicContact CG1-CE2 4.42Å; V1225-F1229 PolarHBondContact O-N 3.48Å; V1225-F1229 VanDerWaalsContact O-N 3.11Å
1226R86Confident83.3Confident9 Ų952.8 Ų52.83%0.03430%0.295CS..Hα-helixtrans-59.1-42.4176.1-177.8-177.1164.6-148.6-17.5111.6F1212 L1222 C1223 S1230 I1231 F1247 C1251 V1253F1212-R1226 HydrophobicContact CD1-CB 4.24Å; L1222-R1226 WeakPolarHBondContact O-CB 3.28Å; L1222-R1226 PolarHBondContact O-N 3.34Å; C1223-R1226 WeakPolarHBondContact O-CB 3.45Å; C1223-R1226 PolarHBondContact O-N 3.47Å; R1226-S1230 CarbonylContact O-C 3.48Å; R1226-S1230 VanDerWaalsContact O-CA 3.25Å; R1226-S1230 WeakPolarHBondContact O-CA 3.42Å; R1226-S1230 PolarHBondContact O-N 3.49Å; R1226-I1231 HydrophobicContact CG-CB 4.29Å; R1226-I1231 PolarHBondContact O-N 2.82Å; R1226-F1247 PolarHBondContact NH1-O 2.87Å; R1226-C1251 PolarHBondContact NH1-O 3.33Å; R1226-C1251 PolarHBondContact NH2-O 2.8Å; R1226-C1251 VanDerWaalsContact NH2-O 3.13Å; R1226-V1253 HydrophobicContact CG-CG2 4.12Å
1227Q83.9Confident83.6Confident19 Ų1954.6 Ų54.69%0.08929%0.289CS..Hα-helixtrans-71.6-40.2176-72.6178.1-20.600112.7C1223 I1224 V1225 F1229 S1230 A1252 V1253C1223-Q1227 WeakPolarHBondContact O-CG 3.36Å; C1223-Q1227 PolarHBondContact O-N 3.11Å; I1224-Q1227 PolarHBondContact O-N 3.41Å; V1225-Q1227 VanDerWaalsContact C-N 3.33Å; V1225-Q1227 PolarHBondContact O-N 2.93Å; Q1227-F1229 PolarHBondContact O-N 2.82Å; Q1227-S1230 PolarHBondContact O-N 3.36Å; Q1227-A1252 PolarHBondContact NE2-O 3.32Å; Q1227-V1253 HydrophobicContact CG-CG2 3.84Å
1228L86.1Confident83.9Confident49 Ų4952.3 Ų52.326%0.25726%0.264SS..Hα-helixtrans-65.9-39.9-177.3-171.176.1000112.9L1148 I1224 V1225 F1636L1148-L1228 HydrophobicContact CB-CD1 4.44Å; L1148-L1228 HydrophobicContact CB-CG 4.13Å; L1148-L1228 WeakPolarHBondContact CB-O 3.22Å; L1148-L1228 HydrophobicContact CD2-CD2 4.34Å; L1148-L1228 PolarHBondContact N-O 2.95Å; I1224-L1228 WeakPolarHBondContact O-CB 3.48Å; I1224-L1228 PolarHBondContact O-N 3.26Å; V1225-L1228 PolarHBondContact O-N 2.84Å; L1228-F1636 HydrophobicContact CD1-CE1 4.16Å; L1228-F1636 HydrophobicContact CD1-CZ 4.25Å
1229F86.3Confident83.9Confident72 Ų7248 Ų4832%0.31625%0.251SS..THydrogen-bonded Turntrans-95.1-3.7176.8-70.6-74.2000113.7L1148 F1149 V1225 Q1227 I1231L1148-F1229 HydrophobicContact CD2-CE1 3.82Å; L1148-F1229 HydrophobicContact CD2-CZ 4Å; F1149-F1229 HydrophobicContact CE2-CD1 4.02Å; F1149-F1229 AromaticContact CZ-CD1 3.88Å; F1149-F1229 HydrophobicContact CZ-CD1 3.88Å; F1149-F1229 HydrophobicContact CZ-CE1 4.4Å; V1225-F1229 HydrophobicContact CG1-CD2 4.05Å; V1225-F1229 HydrophobicContact CG1-CE2 4.42Å; V1225-F1229 PolarHBondContact O-N 3.48Å; V1225-F1229 VanDerWaalsContact O-N 3.11Å; Q1227-F1229 PolarHBondContact O-N 2.82Å; F1229-I1231 HydrophobicContact CB-CD1 4.17Å; F1229-I1231 HydrophobicContact CB-CG1 3.86Å
1230S85.1Confident83.7Confident6 Ų653 Ų534%0.04228%0.279CS..THydrogen-bonded Turntrans50.555-173.4-176.70000113.7R1226 Q1227 T1232 V1253 E1257R1226-S1230 CarbonylContact O-C 3.48Å; R1226-S1230 VanDerWaalsContact O-CA 3.25Å; R1226-S1230 WeakPolarHBondContact O-CA 3.42Å; R1226-S1230 PolarHBondContact O-N 3.49Å; Q1227-S1230 PolarHBondContact O-N 3.36Å; S1230-T1232 PolarHBondContact O-N 3Å; S1230-V1253 WeakPolarHBondContact OG-CG1 3.4Å; S1230-E1257 WeakPolarHBondContact CB-OE2 3.43Å; S1230-E1257 VanDerWaalsContact OG-CB 3.29Å; S1230-E1257 WeakPolarHBondContact OG-CB 3.38Å
1231I86.6Confident83.7Confident12 Ų1246.3 Ų46.36%0.06225%0.251CS..  trans-78.5109.3-179.3-55.2175.2000109.6L1201 F1212 R1226 F1229L1201-I1231 HydrophobicContact CD2-CD1 4.41Å; F1212-I1231 HydrophobicContact CE1-CD1 4.13Å; F1212-I1231 HydrophobicContact CE2-CD1 4.46Å; F1212-I1231 HydrophobicContact CE2-CG2 4.37Å; F1212-I1231 HydrophobicContact CZ-CD1 3.64Å; R1226-I1231 HydrophobicContact CG-CB 4.29Å; R1226-I1231 PolarHBondContact O-N 2.82Å; F1229-I1231 HydrophobicContact CB-CD1 4.17Å; F1229-I1231 HydrophobicContact CB-CG1 3.86Å
1232T84.3Confident83.2Confident23 Ų2350.2 Ų50.214%0.14126%0.262CS..  trans-154.5152175.6-175.20000110Q1202 S1230 V1234 V1253 T1255Q1202-T1232 PolarHBondContact NE2-O 3.27Å; Q1202-T1232 VanDerWaalsContact NE2-O 3.15Å; S1230-T1232 PolarHBondContact O-N 3Å; T1232-V1234 HydrophobicContact CG2-CG2 4.33Å; T1232-V1253 HydrophobicContact CG2-CG1 4.47Å; T1232-T1255 HydrophobicContact CG2-CG2 4.38Å
1233C85.8Confident82.5Confident34 Ų3457.4 Ų57.423%0.2330%0.295CS..  trans-69.5137.6168.8-163.70000110.1C1206C1206-C1233 HydrophobicContact CB-CB 3.89Å; C1206-C1233 WeakPolarHBondContact CB-SG 3.29Å; C1206-C1233 WeakPolarHBondContact SG-CA 3.22Å; C1206-C1233 WeakPolarHBondContact SG-CB 3.35Å; C1206-C1233 CovalentContact SG-SG 2.04Å; C1206-C1233 PolarHBondContact SG-SG 2.98Å
1234V84.8Confident82.2Confident22 Ų2256.9 Ų56.913%0.13329%0.291CS..  trans-121.8-19.6-177.4177.10000111.7T1232 N1236 N1259T1232-V1234 HydrophobicContact CG2-CG2 4.33Å; V1234-N1236 PolarHBondContact O-N 3.31Å; V1234-N1259 WeakPolarHBondContact CG1-OD1 3.13Å
1235N83.2Confident81.8Confident19 Ų1958 Ų5810%0.10229%0.294CS..  trans-76.9118175.9-167.1-24.5000110.4E1237 C1238N1235-E1237 PolarHBondContact O-N 3.49Å; N1235-E1237 PolarHBondContact OD1-N 3.49Å; N1235-C1238 PolarHBondContact O-N 2.92Å
1236N81Confident81.3Confident151 Ų15161 Ų6181%0.80731%0.308SS*.THydrogen-bonded Turntrans-65.5-23-175.5-66.2-20.7000114V1234 C1238V1234-N1236 PolarHBondContact O-N 3.31Å; N1236-C1238 VanDerWaalsContact C-N 3.31Å
1237E80.2Confident81Confident94 Ų9461.6 Ų61.644%0.43931%0.311SS..THydrogen-bonded Turntrans-84.9-6.6-177.3-54.5-62.9155.100112.3Y1051 N1235Y1051-E1237 HydrophobicContact CD1-CB 4.49Å; Y1051-E1237 HydrophobicContact CE1-CB 3.77Å; Y1051-E1237 HydrophobicContact CE2-CB 3.87Å; Y1051-E1237 VanDerWaalsContact CZ-CB 3.42Å; Y1051-E1237 WeakPolarHBondContact OH-CB 3.12Å; Y1051-E1237 WeakPolarHBondContact OH-CG 3.29Å; N1235-E1237 PolarHBondContact O-N 3.49Å; N1235-E1237 PolarHBondContact OD1-N 3.49Å
1238C83.6Confident80.6Confident11 Ų1162.7 Ų62.77%0.07432%0.321CS..SBendtrans-81.3134.4171.3-69.50000110.9N1048 N1235 N1236N1048-C1238 HydrophobicContact CB-CB 4.47Å; N1048-C1238 WeakPolarHBondContact OD1-CA 3.42Å; N1048-C1238 WeakPolarHBondContact OD1-CB 3.28Å; N1235-C1238 PolarHBondContact O-N 2.92Å; N1236-C1238 VanDerWaalsContact C-N 3.31Å
1239H82.4Confident80.1Confident85 Ų8565.8 Ų65.839%0.39433%0.333SS..PPolyproline II helixtrans-63137.6174.1-74-163.6000111.6D1044 F1047 N1048 L1241D1044-H1239 HydrophobicContact CB-CB 4.02Å; D1044-H1239 IonicContact OD1-CE1 3.39Å; D1044-H1239 IonicContact OD1-CG 3.07Å; D1044-H1239 IonicContact OD1-ND1 3.09Å; D1044-H1239 PolarHBondContact OD1-ND1 3.03Å; F1047-H1239 AromaticContact CD1-CD2 3.63Å; F1047-H1239 AromaticContact CD1-CG 3.85Å; F1047-H1239 AromaticContact CD1-NE2 3.82Å; F1047-H1239 AromaticContact CE1-CD2 3.47Å; F1047-H1239 VanDerWaalsContact CE1-CD2 3.47Å; F1047-H1239 WeakPolarHBondContact CE1-CD2 3.44Å; F1047-H1239 AromaticContact CE1-NE2 3.55Å; F1047-H1239 AromaticContact CZ-NE2 3.82Å; N1048-H1239 PolarHBondContact ND2-O 3.24Å; N1048-H1239 PolarHBondContact OD1-N 2.97Å; H1239-L1241 PolarHBondContact O-N 3.01Å
1240V74.6Confident79.5Confident113 Ų11366.5 Ų66.569%0.68535%0.352SS*.PPolyproline II helixtrans-71.1124.9170.9-178.50000109K1242V1240-K1242 PolarHBondContact O-N 2.78Å
1241L80.2Confident79.3Confident20 Ų2066.3 Ų66.311%0.10535%0.35CS..  trans-66.191.6177.4-65.6165.9000110.4D1044 A1045 L1209 H1239 E1243 L1244D1044-L1241 HydrophobicContact CB-CD2 4.27Å; A1045-L1241 HydrophobicContact CB-CD2 3.96Å; L1209-L1241 HydrophobicContact CB-CD1 3.77Å; H1239-L1241 PolarHBondContact O-N 3.01Å; L1241-E1243 PolarHBondContact O-N 3.2Å; L1241-E1243 VanDerWaalsContact O-N 3.16Å; L1241-L1244 HydrophobicContact CB-CD1 4.16Å; L1241-L1244 HydrophobicContact CD1-CD1 4.47Å; L1241-L1244 PolarHBondContact O-N 3.08Å
1242K74.1Confident78.8Confident154 Ų15468 Ų6867%0.6737%0.366SS*.G310 helixtrans-54.1-36.3-172.4-70.2169-175.7153.90113.9V1240 L1244 E1245V1240-K1242 PolarHBondContact O-N 2.78Å; K1242-L1244 PolarHBondContact O-N 2.92Å; K1242-L1244 VanDerWaalsContact O-N 3.11Å; K1242-E1245 PolarHBondContact O-N 2.91Å
1243E70.2Confident78.5Confident162 Ų16268.3 Ų68.376%0.75737%0.368SS*.G310 helixtrans-59.9-20.5178.7-62.5177.7164.400113.3L1241L1241-E1243 PolarHBondContact O-N 3.2Å; L1241-E1243 VanDerWaalsContact O-N 3.16Å
1244L76.5Confident78Confident11 Ų1170.6 Ų70.66%0.05838%0.375CS..G310 helixtrans-11212.5-174.1-75.7126.2000114.1D1213 L1241 K1242 D1246 F1247 S1248D1213-L1244 HydrophobicContact CB-CD2 3.54Å; L1241-L1244 HydrophobicContact CB-CD1 4.16Å; L1241-L1244 HydrophobicContact CD1-CD1 4.47Å; L1241-L1244 PolarHBondContact O-N 3.08Å; K1242-L1244 PolarHBondContact O-N 2.92Å; K1242-L1244 VanDerWaalsContact O-N 3.11Å; L1244-D1246 VanDerWaalsContact C-N 3.33Å; L1244-D1246 PolarHBondContact O-N 2.73Å; L1244-F1247 HydrophobicContact CD2-CB 4.11Å; L1244-F1247 HydrophobicContact CD2-CD1 3.7Å; L1244-F1247 HydrophobicContact CD2-CE1 4.49Å; L1244-F1247 HydrophobicContact CD2-CG 4.14Å; L1244-F1247 PolarHBondContact O-N 3.47Å; L1244-S1248 WeakPolarHBondContact O-CB 3.49Å; L1244-S1248 PolarHBondContact O-N 3.28Å
1245E77Confident77.6Confident95 Ų9573.5 Ų73.544%0.44439%0.393SS..Hα-helixtrans-61.2-41-178.2-158-16913000111.9K1242 S1248 K1249K1242-E1245 PolarHBondContact O-N 2.91Å; E1245-S1248 WeakPolarHBondContact O-CB 3.4Å; E1245-S1248 PolarHBondContact O-N 3.19Å; E1245-S1248 PolarHBondContact O-OG 3.19Å; E1245-K1249 WeakPolarHBondContact O-CG 3.45Å; E1245-K1249 PolarHBondContact O-N 3.42Å; E1245-K1249 VanDerWaalsContact O-N 3.08Å; E1245-K1249 WeakPolarHBondContact OE1-CE 3.39Å; E1245-K1249 IonicContact OE1-NZ 3.25Å; E1245-K1249 PolarHBondContact OE1-NZ 3.41Å
1246D76.5Confident77.3Confident120 Ų12078.9 Ų78.964%0.64242%0.415SS*.Hα-helixtrans-72.2-36.4178.6-71.3-19.4000112.7L1244 S1248 K1249 A1250L1244-D1246 VanDerWaalsContact C-N 3.33Å; L1244-D1246 PolarHBondContact O-N 2.73Å; D1246-S1248 VanDerWaalsContact C-N 3.28Å; D1246-S1248 PolarHBondContact O-N 2.96Å; D1246-K1249 PolarHBondContact O-N 3.08Å; D1246-K1249 IonicContact OD1-NZ 3.38Å; D1246-K1249 PolarHBondContact OD1-NZ 2.88Å; D1246-A1250 WeakPolarHBondContact O-CB 3.29Å; D1246-A1250 PolarHBondContact O-N 3.31Å
1247F79.5Confident77.1Confident22 Ų2272.5 Ų72.510%0.09638%0.381CS..Hα-helixtrans-62.3-35.9168.3175.6-107.6000111.8F1212 D1213 R1226 L1244 K1249 A1250 C1251F1212-F1247 HydrophobicContact CB-CE1 3.84Å; F1212-F1247 HydrophobicContact CB-CZ 3.69Å; F1212-F1247 VanDerWaalsContact O-CZ 3.32Å; F1212-F1247 WeakPolarHBondContact O-CZ 3.47Å; D1213-F1247 HydrophobicContact CB-CB 4.25Å; D1213-F1247 HydrophobicContact CB-CD1 4.04Å; D1213-F1247 HydrophobicContact CB-CD2 3.77Å; D1213-F1247 HydrophobicContact CB-CE1 4.33Å; D1213-F1247 HydrophobicContact CB-CE2 4.1Å; D1213-F1247 HydrophobicContact CB-CG 3.74Å; D1213-F1247 HydrophobicContact CB-CZ 4.38Å; D1213-F1247 WeakPolarHBondContact OD1-CD2 3.22Å; R1226-F1247 PolarHBondContact NH1-O 2.87Å; L1244-F1247 HydrophobicContact CD2-CB 4.11Å; L1244-F1247 HydrophobicContact CD2-CD1 3.7Å; L1244-F1247 HydrophobicContact CD2-CE1 4.49Å; L1244-F1247 HydrophobicContact CD2-CG 4.14Å; L1244-F1247 PolarHBondContact O-N 3.47Å; F1247-K1249 VanDerWaalsContact C-N 3.34Å; F1247-K1249 PolarHBondContact O-N 3.43Å; F1247-A1250 PolarHBondContact O-N 2.73Å; F1247-C1251 HydrophobicContact CE2-CB 4.2Å; F1247-C1251 HydrophobicContact CZ-CB 4.29Å; F1247-C1251 WeakPolarHBondContact O-CB 3.43Å; F1247-C1251 PolarHBondContact O-N 3.28Å
1248S74.4Confident77Confident42 Ų4268.3 Ų68.329%0.29436%0.363SS..Hα-helixtrans-65.1-36.3175.989.20000112.3L1244 E1245 D1246 C1251 A1252L1244-S1248 WeakPolarHBondContact O-CB 3.49Å; L1244-S1248 PolarHBondContact O-N 3.28Å; E1245-S1248 WeakPolarHBondContact O-CB 3.4Å; E1245-S1248 PolarHBondContact O-N 3.19Å; E1245-S1248 PolarHBondContact O-OG 3.19Å; D1246-S1248 VanDerWaalsContact C-N 3.28Å; D1246-S1248 PolarHBondContact O-N 2.96Å; S1248-C1251 CarbonylContact O-C 3.56Å; S1248-A1252 WeakPolarHBondContact O-CA 3.16Å; S1248-A1252 PolarHBondContact O-N 3.15Å
1249K75.1Confident77Confident114 Ų11470.8 Ų70.850%0.49638%0.375SS..Hα-helixtrans-74.6-41.7175.6-67.5165.7-168.2153.90112.3E1245 D1246 F1247E1245-K1249 WeakPolarHBondContact O-CG 3.45Å; E1245-K1249 PolarHBondContact O-N 3.42Å; E1245-K1249 VanDerWaalsContact O-N 3.08Å; E1245-K1249 WeakPolarHBondContact OE1-CE 3.39Å; E1245-K1249 IonicContact OE1-NZ 3.25Å; E1245-K1249 PolarHBondContact OE1-NZ 3.41Å; D1246-K1249 PolarHBondContact O-N 3.08Å; D1246-K1249 IonicContact OD1-NZ 3.38Å; D1246-K1249 PolarHBondContact OD1-NZ 2.88Å; F1247-K1249 VanDerWaalsContact C-N 3.34Å; F1247-K1249 PolarHBondContact O-N 3.43Å
1250A74.6Confident77.3Confident87 Ų8766.7 Ų66.772%0.71936%0.356SS*.Hα-helixtrans-67.1-37.217800000112.4D1246 F1247D1246-A1250 WeakPolarHBondContact O-CB 3.29Å; D1246-A1250 PolarHBondContact O-N 3.31Å; F1247-A1250 PolarHBondContact O-N 2.73Å
1251C80.3Confident77.9Confident2 Ų262.3 Ų62.31%0.01433%0.334CS..THydrogen-bonded Turntrans-117.466.2177.7-168.70000110.9C1223 R1226 F1247 S1248C1223-C1251 WeakPolarHBondContact CA-SG 3.38Å; C1223-C1251 HydrophobicContact CB-CB 3.98Å; C1223-C1251 WeakPolarHBondContact CB-SG 3.27Å; C1223-C1251 WeakPolarHBondContact SG-CB 3.48Å; C1223-C1251 CovalentContact SG-SG 2.04Å; C1223-C1251 PolarHBondContact SG-SG 2.8Å; R1226-C1251 PolarHBondContact NH1-O 3.33Å; R1226-C1251 PolarHBondContact NH2-O 2.8Å; R1226-C1251 VanDerWaalsContact NH2-O 3.13Å; F1247-C1251 HydrophobicContact CE2-CB 4.2Å; F1247-C1251 HydrophobicContact CZ-CB 4.29Å; F1247-C1251 WeakPolarHBondContact O-CB 3.43Å; F1247-C1251 PolarHBondContact O-N 3.28Å; S1248-C1251 CarbonylContact O-C 3.56Å
1252A77.2Confident78.3Confident46 Ų4667 Ų6738%0.3835%0.353SS..  trans-65.1142.9-177.700000112.9Q1227 S1248Q1227-A1252 PolarHBondContact NE2-O 3.32Å; S1248-A1252 WeakPolarHBondContact O-CA 3.16Å; S1248-A1252 PolarHBondContact O-N 3.15Å
1253V76.9Confident79.1Confident30 Ų3059.8 Ų59.818%0.18232%0.322CS..  trans-142.7139.9177.1175.20000108.1R1226 Q1227 S1230 T1232R1226-V1253 HydrophobicContact CG-CG2 4.12Å; Q1227-V1253 HydrophobicContact CG-CG2 3.84Å; S1230-V1253 WeakPolarHBondContact OG-CG1 3.4Å; T1232-V1253 HydrophobicContact CG2-CG1 4.47Å
1254E75.9Confident80.2Confident82 Ų8252.6 Ų52.638%0.38329%0.289SS..  trans-82.4122.1179.4-70-168.9-151.600112.4K1256 E1257 Q1665E1254-K1256 PolarHBondContact O-N 3.22Å; E1254-K1256 VanDerWaalsContact O-N 3.07Å; E1254-E1257 HydrophobicContact CB-CG 4.3Å; E1254-E1257 PolarHBondContact O-N 3.43Å; E1254-E1257 VanDerWaalsContact O-N 3.11Å; E1254-Q1665 PolarHBondContact OE1-NE2 3.05Å
1255T75.9Confident80.9Confident84 Ų8456 Ų5652%0.51531%0.307SS..Hα-helixtrans-61.5-19.4-179.855.40000114.6T1232 E1257 N1259T1232-T1255 HydrophobicContact CG2-CG2 4.38Å; T1255-E1257 VanDerWaalsContact C-N 3.26Å; T1255-E1257 PolarHBondContact O-N 3.19Å; T1255-N1259 PolarHBondContact O-ND2 2.9Å; T1255-N1259 VanDerWaalsContact O-ND2 3.14Å
1256K78.1Confident81.6Confident131 Ų13151.5 Ų51.557%0.5729%0.286SS*.Hα-helixtrans-62.7-31.4174.9-65.6175.7-173161.80112.6E1254 N1259 D1667E1254-K1256 PolarHBondContact O-N 3.22Å; E1254-K1256 VanDerWaalsContact O-N 3.07Å; K1256-N1259 WeakPolarHBondContact O-CB 3.49Å; K1256-N1259 PolarHBondContact O-N 2.87Å; K1256-D1667 IonicContact NZ-OD2 3.89Å
1257E76.1Confident82.4Confident17 Ų1746 Ų468%0.07926%0.256CS..Hα-helixtrans-77.8-30.8-173.6-59.6-170.316700113.1T1146 K1198 S1230 E1254 T1255 N1259T1146-E1257 WeakPolarHBondContact CA-OE1 3.44Å; T1146-E1257 WeakPolarHBondContact CB-OE1 3.48Å; T1146-E1257 VanDerWaalsContact N-CD 3.29Å; T1146-E1257 PolarHBondContact N-OE1 2.97Å; T1146-E1257 PolarHBondContact OG1-OE1 2.74Å; K1198-E1257 WeakPolarHBondContact CE-O 3.41Å; K1198-E1257 PolarHBondContact NZ-O 2.79Å; S1230-E1257 WeakPolarHBondContact CB-OE2 3.43Å; S1230-E1257 VanDerWaalsContact OG-CB 3.29Å; S1230-E1257 WeakPolarHBondContact OG-CB 3.38Å; E1254-E1257 HydrophobicContact CB-CG 4.3Å; E1254-E1257 PolarHBondContact O-N 3.43Å; E1254-E1257 VanDerWaalsContact O-N 3.11Å; T1255-E1257 VanDerWaalsContact C-N 3.26Å; T1255-E1257 PolarHBondContact O-N 3.19Å; E1257-N1259 VanDerWaalsContact C-N 3.26Å; E1257-N1259 PolarHBondContact O-N 2.91Å
1258G77Confident83Confident6 Ų646.1 Ų46.16%0.06226%0.26CS..Hα-helixtrans-70.6-18.3175.100000114
1259N84.6Confident83.8Confident63 Ų6348.2 Ų48.234%0.33726%0.264SS..  trans-68146.8177.5-87-76.9000112.4K1198 V1234 T1255 K1256 E1257K1198-N1259 PolarHBondContact NZ-O 2.9Å; V1234-N1259 WeakPolarHBondContact CG1-OD1 3.13Å; T1255-N1259 PolarHBondContact O-ND2 2.9Å; T1255-N1259 VanDerWaalsContact O-ND2 3.14Å; K1256-N1259 WeakPolarHBondContact O-CB 3.49Å; K1256-N1259 PolarHBondContact O-N 2.87Å; E1257-N1259 VanDerWaalsContact C-N 3.26Å; E1257-N1259 PolarHBondContact O-N 2.91Å
1260I89.5Confident84.7Confident0 Ų042.8 Ų42.80%024%0.24CC..  trans-98.70.5179.768.4164.1000114.5I973 F974 M977 I1195 K1198 V1199 F1262 D1263 V1264I973-I1260 HydrophobicContact CG2-CD1 3.84Å; F974-I1260 HydrophobicContact CB-CD1 3.95Å; F974-I1260 HydrophobicContact CB-CG1 3.96Å; F974-I1260 HydrophobicContact CD2-CG1 3.71Å; F974-I1260 HydrophobicContact CG-CG1 4.25Å; M977-I1260 HydrophobicContact CE-CG1 4.47Å; M977-I1260 HydrophobicContact CE-CG2 3.94Å; M977-I1260 HydrophobicContact SD-CD1 3.77Å; M977-I1260 HydrophobicContact SD-CG1 3.85Å; M977-I1260 HydrophobicContact SD-CG2 4.32Å; I1195-I1260 HydrophobicContact CG2-CD1 4.08Å; K1198-I1260 HydrophobicContact CB-CG2 3.61Å; K1198-I1260 HydrophobicContact CD-CG2 3.65Å; K1198-I1260 HydrophobicContact CG-CG2 4.3Å; V1199-I1260 HydrophobicContact CG2-CD1 4.43Å; I1260-F1262 PolarHBondContact O-N 3.03Å; I1260-D1263 WeakPolarHBondContact O-CA 3.44Å; I1260-D1263 VanDerWaalsContact O-CB 3.32Å; I1260-D1263 WeakPolarHBondContact O-CB 3.22Å; I1260-D1263 PolarHBondContact O-N 2.89Å; I1260-V1264 HydrophobicContact CD1-CG2 4.02Å; I1260-V1264 HydrophobicContact CG1-CG2 4.25Å; I1260-V1264 PolarHBondContact O-N 3.47Å
1261G87.2Confident85.5Confident20 Ų2039.5 Ų39.521%0.20621%0.211CC..Hα-helixtrans-56.6-43.6-170.200000114.7D1263 V1264 I1265G1261-D1263 VanDerWaalsContact C-N 3.32Å; G1261-D1263 PolarHBondContact O-N 2.85Å; G1261-V1264 PolarHBondContact O-N 3Å; G1261-I1265 WeakPolarHBondContact O-CG1 3.33Å; G1261-I1265 PolarHBondContact O-N 2.96Å
1262F88.3Confident85.9Confident118 Ų11843.2 Ų43.252%0.51823%0.227SC..Hα-helixtrans-68.4-30.1175.5-73.3-74.2000113A1141 A1144 I1260 I1265 A1266A1141-F1262 HydrophobicContact CB-CB 4.18Å; A1144-F1262 HydrophobicContact CB-CD1 4.44Å; A1144-F1262 HydrophobicContact CB-CD2 3.57Å; A1144-F1262 HydrophobicContact CB-CE2 3.66Å; A1144-F1262 HydrophobicContact CB-CG 3.99Å; A1144-F1262 HydrophobicContact CB-CZ 4.14Å; I1260-F1262 PolarHBondContact O-N 3.03Å; F1262-I1265 PolarHBondContact O-N 3.09Å; F1262-A1266 WeakPolarHBondContact O-CB 3.48Å; F1262-A1266 PolarHBondContact O-N 2.92Å
1263D90.8Very high86.6Confident3 Ų341.2 Ų41.22%0.01621%0.21CC..Hα-helixtrans-68.3-39.6175.9-56.6-63.9000111Y1153 I1195 K1198 I1260 G1261 A1266 L1267Y1153-D1263 WeakPolarHBondContact CE2-OD1 3.48Å; Y1153-D1263 VanDerWaalsContact CZ-OD1 3.26Å; Y1153-D1263 PolarHBondContact OH-OD1 2.86Å; I1195-D1263 HydrophobicContact CD1-CB 4.08Å; I1195-D1263 HydrophobicContact CG1-CB 3.61Å; K1198-D1263 IonicContact NZ-OD2 3.66Å; K1198-D1263 PolarHBondContact NZ-OD2 2.9Å; I1260-D1263 WeakPolarHBondContact O-CA 3.44Å; I1260-D1263 VanDerWaalsContact O-CB 3.32Å; I1260-D1263 WeakPolarHBondContact O-CB 3.22Å; I1260-D1263 PolarHBondContact O-N 2.89Å; G1261-D1263 VanDerWaalsContact C-N 3.32Å; G1261-D1263 PolarHBondContact O-N 2.85Å; D1263-A1266 PolarHBondContact O-N 3.4Å; D1263-L1267 WeakPolarHBondContact O-CB 3.37Å; D1263-L1267 PolarHBondContact O-N 2.8Å
1264V91.7Very high87.1Confident11 Ų1140.9 Ų40.97%0.06721%0.207CC..Hα-helixtrans-67.9-34.4175.5178.50000112.1I971 F974 I1195 I1260 G1261 S1268I971-V1264 HydrophobicContact CG1-CG1 4.47Å; F974-V1264 HydrophobicContact CB-CG2 4.37Å; I1195-V1264 HydrophobicContact CD1-CG2 4.35Å; I1260-V1264 HydrophobicContact CD1-CG2 4.02Å; I1260-V1264 HydrophobicContact CG1-CG2 4.25Å; I1260-V1264 PolarHBondContact O-N 3.47Å; G1261-V1264 PolarHBondContact O-N 3Å; V1264-S1268 PolarHBondContact O-N 2.88Å; V1264-S1268 PolarHBondContact O-OG 3.05Å
1265I91.6Very high87.7Confident83 Ų8339.9 Ų39.943%0.42620%0.2SC..Hα-helixtrans-66.6-46.6172.2-66.6168.2000110.4G1261 F1262 L1267 S1268 F1269G1261-I1265 WeakPolarHBondContact O-CG1 3.33Å; G1261-I1265 PolarHBondContact O-N 2.96Å; F1262-I1265 PolarHBondContact O-N 3.09Å; I1265-L1267 PolarHBondContact O-N 2.77Å; I1265-S1268 WeakPolarHBondContact O-CB 3.47Å; I1265-S1268 PolarHBondContact O-N 3.26Å; I1265-F1269 HydrophobicContact CG2-CD2 4.01Å; I1265-F1269 HydrophobicContact CG2-CE2 3.96Å; I1265-F1269 WeakPolarHBondContact O-CD2 3.13Å; I1265-F1269 PolarHBondContact O-N 3.28Å; I1265-F1269 VanDerWaalsContact O-N 3.13Å
1266A91.5Very high88.3Confident0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-59.8-44.4175.900000111.8T1138 A1141 T1191 F1262 D1263 S1268 F1269 L1270T1138-A1266 HydrophobicContact CG2-CB 4.11Å; A1141-A1266 HydrophobicContact CB-CB 4.47Å; T1191-A1266 HydrophobicContact CG2-CB 4.25Å; F1262-A1266 WeakPolarHBondContact O-CB 3.48Å; F1262-A1266 PolarHBondContact O-N 2.92Å; D1263-A1266 PolarHBondContact O-N 3.4Å; A1266-S1268 VanDerWaalsContact C-N 3.33Å; A1266-S1268 PolarHBondContact O-N 2.86Å; A1266-F1269 PolarHBondContact O-N 2.87Å; A1266-L1270 WeakPolarHBondContact O-CB 3.42Å; A1266-L1270 VanDerWaalsContact O-CG 3.29Å; A1266-L1270 WeakPolarHBondContact O-CG 3.43Å; A1266-L1270 PolarHBondContact O-N 2.92Å
1267L93.3Very high88.7Confident5 Ų530.8 Ų30.83%0.02615%0.154CC..Hα-helixtrans-55-46.5173.1176.565.6000111.8L988 L1188 L1192 I1195 D1263 I1265 F1269 L1270 V1271L988-L1267 HydrophobicContact CD2-CD2 3.95Å; L1188-L1267 HydrophobicContact CD1-CD1 3.55Å; L1192-L1267 HydrophobicContact CD2-CD1 3.86Å; L1192-L1267 HydrophobicContact CD2-CD2 4.41Å; L1192-L1267 HydrophobicContact CG-CD1 4.36Å; I1195-L1267 HydrophobicContact CD1-CB 4.4Å; I1195-L1267 HydrophobicContact CD1-CD2 4.06Å; D1263-L1267 WeakPolarHBondContact O-CB 3.37Å; D1263-L1267 PolarHBondContact O-N 2.8Å; I1265-L1267 PolarHBondContact O-N 2.77Å; L1267-F1269 PolarHBondContact O-N 3.45Å; L1267-L1270 PolarHBondContact O-N 2.95Å; L1267-V1271 HydrophobicContact CD1-CG2 4.05Å; L1267-V1271 HydrophobicContact CG-CG2 4.44Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.26Å; L1267-V1271 PolarHBondContact O-N 3.32Å
1268S92.2Very high89Confident24 Ų2432.2 Ų32.217%0.16816%0.161CC..Hα-helixtrans-59-46.9179.3-59.90000111.8V1264 I1265 A1266 F1272V1264-S1268 PolarHBondContact O-N 2.88Å; V1264-S1268 PolarHBondContact O-OG 3.05Å; I1265-S1268 WeakPolarHBondContact O-CB 3.47Å; I1265-S1268 PolarHBondContact O-N 3.26Å; A1266-S1268 VanDerWaalsContact C-N 3.33Å; A1266-S1268 PolarHBondContact O-N 2.86Å; S1268-F1272 VanDerWaalsContact O-CD2 3.28Å; S1268-F1272 WeakPolarHBondContact O-CD2 3.4Å; S1268-F1272 PolarHBondContact O-N 2.93Å
1269F92.6Very high89.3Confident87 Ų8733.4 Ų33.438%0.38217%0.168SC..Hα-helixtrans-66-39.4175.9-81.9-71.9000112.8I1133 T1134 S1137 I1265 A1266 L1267 F1272 Q1273I1133-F1269 HydrophobicContact CG2-CE1 4.27Å; T1134-F1269 HydrophobicContact CG2-CB 3.9Å; T1134-F1269 HydrophobicContact CG2-CD1 4.23Å; T1134-F1269 HydrophobicContact CG2-CG 4.47Å; S1137-F1269 WeakPolarHBondContact OG-CD2 3.33Å; I1265-F1269 HydrophobicContact CG2-CD2 4.01Å; I1265-F1269 HydrophobicContact CG2-CE2 3.96Å; I1265-F1269 WeakPolarHBondContact O-CD2 3.13Å; I1265-F1269 PolarHBondContact O-N 3.28Å; I1265-F1269 VanDerWaalsContact O-N 3.13Å; A1266-F1269 PolarHBondContact O-N 2.87Å; L1267-F1269 PolarHBondContact O-N 3.45Å; F1269-F1272 PolarHBondContact O-N 3.35Å; F1269-Q1273 VanDerWaalsContact O-CB 3.25Å; F1269-Q1273 WeakPolarHBondContact O-CB 3.25Å; F1269-Q1273 PolarHBondContact O-N 2.85Å
1270L92.7Very high89.3Confident0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-64.8-44.8178.3-72.5169.8000112.2T1138 W1184 L1187 L1188 T1191 A1266 L1267 F1272 Q1273 I1274T1138-L1270 HydrophobicContact CG2-CD1 4.31Å; T1138-L1270 HydrophobicContact CG2-CG 4.48Å; W1184-L1270 HydrophobicContact CE3-CD2 3.62Å; W1184-L1270 HydrophobicContact CZ3-CD2 3.61Å; L1187-L1270 HydrophobicContact CD2-CD2 3.97Å; L1187-L1270 HydrophobicContact CG-CD1 4.25Å; L1187-L1270 HydrophobicContact CG-CD2 4.16Å; L1188-L1270 HydrophobicContact CD1-CB 4.17Å; T1191-L1270 HydrophobicContact CG2-CD1 3.57Å; A1266-L1270 WeakPolarHBondContact O-CB 3.42Å; A1266-L1270 VanDerWaalsContact O-CG 3.29Å; A1266-L1270 WeakPolarHBondContact O-CG 3.43Å; A1266-L1270 PolarHBondContact O-N 2.92Å; L1267-L1270 PolarHBondContact O-N 2.95Å; L1270-F1272 PolarHBondContact O-N 3.02Å; L1270-Q1273 PolarHBondContact O-N 2.85Å; L1270-I1274 WeakPolarHBondContact O-CB 3.41Å; L1270-I1274 WeakPolarHBondContact O-CG1 3.3Å; L1270-I1274 PolarHBondContact O-N 3.45Å
1271V91Very high89.2Confident17 Ų1735.5 Ų35.510%0.10317%0.171CC..Hα-helixtrans-59.6-46.3176.6169.70000110.9E963 M966 L1267 R1275E963-V1271 HydrophobicContact CB-CG1 4.21Å; E963-V1271 HydrophobicContact CG-CG1 4.1Å; M966-V1271 HydrophobicContact CE-CG1 3.84Å; L1267-V1271 HydrophobicContact CD1-CG2 4.05Å; L1267-V1271 HydrophobicContact CG-CG2 4.44Å; L1267-V1271 WeakPolarHBondContact O-CG2 3.26Å; L1267-V1271 PolarHBondContact O-N 3.32Å; V1271-R1275 PolarHBondContact O-N 2.84Å; V1271-R1275 VanDerWaalsContact O-N 3.08Å
1272F90Very high89.2Confident81 Ų8134.6 Ų34.636%0.35516%0.162SC..Hα-helixtrans-66.5-37.8175.7-82-62.7000113.2F960 E963 I967 S1268 F1269 L1270 R1275 I1276F960-F1272 HydrophobicContact CD1-CE1 4.42Å; E963-F1272 HydrophobicContact CB-CE1 4.49Å; I967-F1272 HydrophobicContact CD1-CD2 4.25Å; I967-F1272 HydrophobicContact CD1-CE2 3.56Å; I967-F1272 HydrophobicContact CD1-CZ 4.22Å; S1268-F1272 VanDerWaalsContact O-CD2 3.28Å; S1268-F1272 WeakPolarHBondContact O-CD2 3.4Å; S1268-F1272 PolarHBondContact O-N 2.93Å; F1269-F1272 PolarHBondContact O-N 3.35Å; L1270-F1272 PolarHBondContact O-N 3.02Å; F1272-R1275 WeakPolarHBondContact O-CB 3.1Å; F1272-R1275 PolarHBondContact O-N 2.9Å; F1272-I1276 WeakPolarHBondContact O-CG1 3.44Å; F1272-I1276 PolarHBondContact O-N 3.26Å
1273Q91Very high89.1Confident4 Ų429.5 Ų29.52%0.01914%0.14CC..Hα-helixtrans-69.5-35.7179.2-173.258.241.400112.5T1134 W1184 F1269 L1270 I1276 F1277T1134-Q1273 HydrophobicContact CG2-CB 3.7Å; T1134-Q1273 HydrophobicContact CG2-CG 3.94Å; W1184-Q1273 HydrophobicContact CZ3-CG 4.49Å; F1269-Q1273 VanDerWaalsContact O-CB 3.25Å; F1269-Q1273 WeakPolarHBondContact O-CB 3.25Å; F1269-Q1273 PolarHBondContact O-N 2.85Å; L1270-Q1273 PolarHBondContact O-N 2.85Å; Q1273-I1276 WeakPolarHBondContact O-CB 3.3Å; Q1273-I1276 PolarHBondContact O-N 2.71Å; Q1273-F1277 HydrophobicContact CG-CD2 4.46Å; Q1273-F1277 HydrophobicContact CG-CE2 3.79Å; Q1273-F1277 HydrophobicContact CG-CZ 3.84Å; Q1273-F1277 VanDerWaalsContact O-CD2 3.32Å; Q1273-F1277 WeakPolarHBondContact O-CD2 3.37Å; Q1273-F1277 WeakPolarHBondContact O-CG 3.44Å; Q1273-F1277 PolarHBondContact O-N 2.91Å
1274I88.4Confident89Confident23 Ų2330.6 Ų30.612%0.11814%0.144CC..Hα-helixtrans-64.8-43170.9-70.6165.9000110.1L1188 L1270 I1276 F1277 H1278L1188-I1274 HydrophobicContact CB-CD1 4.24Å; L1188-I1274 HydrophobicContact CD2-CD1 3.74Å; L1188-I1274 HydrophobicContact CG-CD1 4.43Å; L1270-I1274 WeakPolarHBondContact O-CB 3.41Å; L1270-I1274 WeakPolarHBondContact O-CG1 3.3Å; L1270-I1274 PolarHBondContact O-N 3.45Å; I1274-I1276 VanDerWaalsContact C-N 3.27Å; I1274-I1276 PolarHBondContact O-N 2.84Å; I1274-F1277 PolarHBondContact O-N 3.03Å; I1274-F1277 VanDerWaalsContact O-N 3.16Å; I1274-H1278 PolarHBondContact O-CD2 3.08Å; I1274-H1278 PolarHBondContact O-N 2.81Å; I1274-H1278 VanDerWaalsContact O-N 3.07Å
1275R87.2Confident88.8Confident61 Ų6130 Ų3023%0.2314%0.141CC..Hα-helixtrans-61.2-34.4173.2-17058.8161.2152.34.6112.7E963 V1271 F1272 H1278E963-R1275 VanDerWaalsContact OE1-CD 3.31Å; E963-R1275 WeakPolarHBondContact OE1-CD 3.25Å; E963-R1275 IonicContact OE1-CZ 3.3Å; E963-R1275 IonicContact OE1-NE 2.69Å; E963-R1275 PolarHBondContact OE1-NE 3.21Å; V1271-R1275 PolarHBondContact O-N 2.84Å; V1271-R1275 VanDerWaalsContact O-N 3.08Å; F1272-R1275 WeakPolarHBondContact O-CB 3.1Å; F1272-R1275 PolarHBondContact O-N 2.9Å; R1275-H1278 PolarHBondContact O-N 3.23Å
1276I88.4Confident88.5Confident23 Ų2326.1 Ų26.112%0.11812%0.121CC..Hα-helixtrans-63.3-47.2171.7-80.2164.7000111.5V1126 F1127 F1272 Q1273 I1274 H1278 S1279 F1282V1126-I1276 HydrophobicContact CG1-CD1 3.77Å; V1126-I1276 HydrophobicContact CG1-CG1 4.44Å; F1127-I1276 HydrophobicContact CD1-CB 4.49Å; F1127-I1276 HydrophobicContact CD1-CG1 4.19Å; F1127-I1276 HydrophobicContact CD1-CG2 3.92Å; F1127-I1276 HydrophobicContact CE1-CG1 4.01Å; F1127-I1276 HydrophobicContact CE1-CG2 4.43Å; F1272-I1276 WeakPolarHBondContact O-CG1 3.44Å; F1272-I1276 PolarHBondContact O-N 3.26Å; Q1273-I1276 WeakPolarHBondContact O-CB 3.3Å; Q1273-I1276 PolarHBondContact O-N 2.71Å; I1274-I1276 VanDerWaalsContact C-N 3.27Å; I1274-I1276 PolarHBondContact O-N 2.84Å; I1276-H1278 PolarHBondContact O-N 3.48Å; I1276-S1279 VanDerWaalsContact O-CB 3.26Å; I1276-S1279 WeakPolarHBondContact O-CB 3.39Å; I1276-S1279 PolarHBondContact O-N 3.07Å; I1276-F1282 HydrophobicContact CG2-CD2 4.31Å
1277F87Confident88.2Confident1 Ų127.3 Ų27.30%0.00413%0.128CC..Hα-helixtrans-62.8-26.3176.6-64.3-38.8000113Y1095 Y1168 F1177 W1184 Q1273 I1274 S1279 F1282Y1095-F1277 WeakPolarHBondContact CE2-O 3.43Å; Y1095-F1277 PolarHBondContact OH-O 3.02Å; Y1168-F1277 AromaticContact CE1-CE1 3.96Å; Y1168-F1277 HydrophobicContact CE1-CE1 3.96Å; Y1168-F1277 AromaticContact CE1-CZ 3.99Å; Y1168-F1277 HydrophobicContact CE1-CZ 3.99Å; F1177-F1277 HydrophobicContact CE1-CB 4.39Å; F1177-F1277 HydrophobicContact CZ-CB 4.06Å; F1177-F1277 HydrophobicContact CZ-CD1 4.36Å; F1177-F1277 HydrophobicContact CZ-CG 4.2Å; W1184-F1277 HydrophobicContact CB-CE2 4.48Å; W1184-F1277 AromaticContact CD1-CE2 3.61Å; W1184-F1277 AromaticContact CD2-CE2 3.83Å; W1184-F1277 HydrophobicContact CD2-CE2 3.83Å; W1184-F1277 HydrophobicContact CD2-CZ 4.33Å; W1184-F1277 AromaticContact CE2-CE2 3.79Å; W1184-F1277 AromaticContact CE2-CZ 3.81Å; W1184-F1277 AromaticContact CG-CE2 3.74Å; W1184-F1277 HydrophobicContact CG-CE2 3.74Å; W1184-F1277 HydrophobicContact CG-CZ 4.49Å; W1184-F1277 HydrophobicContact CZ2-CE2 4.5Å; W1184-F1277 HydrophobicContact CZ2-CZ 4.21Å; W1184-F1277 AromaticContact NE1-CE2 3.64Å; W1184-F1277 AromaticContact NE1-CZ 3.64Å; Q1273-F1277 HydrophobicContact CG-CD2 4.46Å; Q1273-F1277 HydrophobicContact CG-CE2 3.79Å; Q1273-F1277 HydrophobicContact CG-CZ 3.84Å; Q1273-F1277 VanDerWaalsContact O-CD2 3.32Å; Q1273-F1277 WeakPolarHBondContact O-CD2 3.37Å; Q1273-F1277 WeakPolarHBondContact O-CG 3.44Å; Q1273-F1277 PolarHBondContact O-N 2.91Å; I1274-F1277 PolarHBondContact O-N 3.03Å; I1274-F1277 VanDerWaalsContact O-N 3.16Å; F1277-S1279 VanDerWaalsContact C-N 3.29Å; F1277-S1279 PolarHBondContact O-N 2.97Å; F1277-F1282 AromaticContact CD1-CD1 3.97Å; F1277-F1282 HydrophobicContact CD1-CD1 3.97Å; F1277-F1282 HydrophobicContact CD1-CD2 4.01Å; F1277-F1282 AromaticContact CD1-CE1 3.7Å; F1277-F1282 HydrophobicContact CD1-CE1 3.7Å; F1277-F1282 AromaticContact CD1-CE2 3.75Å; F1277-F1282 HydrophobicContact CD1-CE2 3.75Å; F1277-F1282 HydrophobicContact CD1-CG 4.13Å; F1277-F1282 AromaticContact CD1-CZ 3.59Å; F1277-F1282 HydrophobicContact CD1-CZ 3.59Å; F1277-F1282 HydrophobicContact CE1-CD2 4.32Å; F1277-F1282 HydrophobicContact CE1-CE1 4.12Å; F1277-F1282 AromaticContact CE1-CE2 3.66Å; F1277-F1282 HydrophobicContact CE1-CE2 3.66Å; F1277-F1282 AromaticContact CE1-CZ 3.55Å; F1277-F1282 HydrophobicContact CE1-CZ 3.55Å
1278H81.9Confident87.9Confident47 Ų4727.8 Ų27.822%0.21813%0.13CC..THydrogen-bonded Turntrans-800.9173.3-75.3-64.8000115.2Y1095 I1274 R1275 I1276Y1095-H1278 HydrophobicContact CD2-CB 4.49Å; Y1095-H1278 AromaticContact CD2-CE1 3.8Å; Y1095-H1278 AromaticContact CD2-ND1 3.04Å; Y1095-H1278 WeakPolarHBondContact CD2-ND1 3.38Å; Y1095-H1278 HydrophobicContact CE2-CB 4.41Å; Y1095-H1278 AromaticContact CE2-ND1 3.42Å; Y1095-H1278 WeakPolarHBondContact CE2-ND1 3.35Å; Y1095-H1278 AromaticContact CG-CE1 3.76Å; Y1095-H1278 AromaticContact CG-ND1 3.47Å; I1274-H1278 PolarHBondContact O-CD2 3.08Å; I1274-H1278 PolarHBondContact O-N 2.81Å; I1274-H1278 VanDerWaalsContact O-N 3.07Å; R1275-H1278 PolarHBondContact O-N 3.23Å; I1276-H1278 PolarHBondContact O-N 3.48Å
1279S83.3Confident87.6Confident31 Ų3126.8 Ų26.822%0.21712%0.123CC..SBendtrans-102.6148.2-172.7-171.40000114.8I1276 F1277 Y1281 F1282I1276-S1279 VanDerWaalsContact O-CB 3.26Å; I1276-S1279 WeakPolarHBondContact O-CB 3.39Å; I1276-S1279 PolarHBondContact O-N 3.07Å; F1277-S1279 VanDerWaalsContact C-N 3.29Å; F1277-S1279 PolarHBondContact O-N 2.97Å; S1279-Y1281 PolarHBondContact O-N 3.14Å; S1279-Y1281 VanDerWaalsContact O-N 3.12Å; S1279-F1282 PolarHBondContact O-N 3.45Å; S1279-F1282 VanDerWaalsContact O-N 3.16Å
1280W84.4Confident87.2Confident81 Ų8122.8 Ų22.831%0.30711%0.105SC..THydrogen-bonded Turntrans-61.7-22.2-179.3-6998.7000113.5I1094 K1103 N1106 P1107 Q1108I1094-W1280 HydrophobicContact CD1-CB 4.18Å; I1094-W1280 HydrophobicContact CD1-CD2 3.52Å; I1094-W1280 HydrophobicContact CD1-CE3 3.83Å; I1094-W1280 HydrophobicContact CD1-CG 3.68Å; I1094-W1280 HydrophobicContact CD1-CZ3 4.44Å; I1094-W1280 HydrophobicContact CG1-CD2 3.83Å; I1094-W1280 HydrophobicContact CG1-CE3 4.3Å; I1094-W1280 HydrophobicContact CG1-CG 4.2Å; I1094-W1280 HydrophobicContact CG1-CH2 4.42Å; I1094-W1280 HydrophobicContact CG1-CZ2 3.97Å; K1103-W1280 HydrophobicContact CD-CH2 4.27Å; K1103-W1280 HydrophobicContact CD-CZ3 4.35Å; N1106-W1280 PolarHBondContact ND2-O 3.16Å; P1107-W1280 HydrophobicContact CG-CD2 4.13Å; P1107-W1280 HydrophobicContact CG-CE3 4.14Å; P1107-W1280 HydrophobicContact CG-CZ3 4.39Å; Q1108-W1280 HydrophobicContact CG-CB 4.4Å
1281Y87.9Confident86.8Confident25 Ų2522.8 Ų22.810%0.09811%0.105CC..THydrogen-bonded Turntrans-73.3-30178.6-61.6-63.6000113.6F941 Q1108 F1111 K1123 F1127 S1279 Q1283 H1284F941-Y1281 WeakPolarHBondContact CZ-OH 3.26Å; Q1108-Y1281 HydrophobicContact CB-CD1 4.43Å; Q1108-Y1281 HydrophobicContact CB-CE1 3.94Å; Q1108-Y1281 HydrophobicContact CG-CE1 3.97Å; F1111-Y1281 AromaticContact CD1-CD1 3.87Å; F1111-Y1281 HydrophobicContact CD1-CD1 3.87Å; F1111-Y1281 AromaticContact CE1-CD1 3.74Å; F1111-Y1281 HydrophobicContact CE1-CD1 3.74Å; F1111-Y1281 HydrophobicContact CE1-CG 4.2Å; F1111-Y1281 WeakPolarHBondContact CE1-O 3.47Å; K1123-Y1281 HydrophobicContact CD-CE1 4.28Å; K1123-Y1281 PolarHBondContact NZ-OH 3.39Å; F1127-Y1281 HydrophobicContact CD2-CD2 4.32Å; F1127-Y1281 HydrophobicContact CD2-CG 4.03Å; F1127-Y1281 HydrophobicContact CE1-CD2 4.1Å; F1127-Y1281 HydrophobicContact CE1-CG 4.44Å; F1127-Y1281 AromaticContact CE2-CD2 3.51Å; F1127-Y1281 HydrophobicContact CE2-CD2 3.51Å; F1127-Y1281 HydrophobicContact CE2-CE2 4.32Å; F1127-Y1281 AromaticContact CE2-CG 3.67Å; F1127-Y1281 HydrophobicContact CE2-CG 3.67Å; F1127-Y1281 AromaticContact CZ-CD2 3.39Å; F1127-Y1281 HydrophobicContact CZ-CD2 3.39Å; F1127-Y1281 HydrophobicContact CZ-CE2 4.28Å; F1127-Y1281 AromaticContact CZ-CG 3.92Å; F1127-Y1281 HydrophobicContact CZ-CG 3.92Å; S1279-Y1281 PolarHBondContact O-N 3.14Å; S1279-Y1281 VanDerWaalsContact O-N 3.12Å; Y1281-Q1283 VanDerWaalsContact C-N 3.26Å; Y1281-Q1283 PolarHBondContact O-N 2.81Å; Y1281-H1284 PolarHBondContact O-N 2.88Å
1282F87.7Confident86.4Confident2 Ų223 Ų231%0.00911%0.105CC..Hα-helixtrans-69.9-25.5-177.4-174.6-104.1000112.6Y1168 F1177 I1276 F1277 S1279 H1284 C1285 M1286Y1168-F1282 AromaticContact CD1-CZ 3.87Å; Y1168-F1282 HydrophobicContact CD1-CZ 3.87Å; Y1168-F1282 HydrophobicContact CE1-CZ 4.28Å; Y1168-F1282 HydrophobicContact CG-CZ 4.37Å; F1177-F1282 AromaticContact CE2-CE1 3.92Å; F1177-F1282 HydrophobicContact CE2-CE1 3.92Å; F1177-F1282 HydrophobicContact CZ-CE1 4.17Å; I1276-F1282 HydrophobicContact CG2-CD2 4.31Å; F1277-F1282 AromaticContact CD1-CD1 3.97Å; F1277-F1282 HydrophobicContact CD1-CD1 3.97Å; F1277-F1282 HydrophobicContact CD1-CD2 4.01Å; F1277-F1282 AromaticContact CD1-CE1 3.7Å; F1277-F1282 HydrophobicContact CD1-CE1 3.7Å; F1277-F1282 AromaticContact CD1-CE2 3.75Å; F1277-F1282 HydrophobicContact CD1-CE2 3.75Å; F1277-F1282 HydrophobicContact CD1-CG 4.13Å; F1277-F1282 AromaticContact CD1-CZ 3.59Å; F1277-F1282 HydrophobicContact CD1-CZ 3.59Å; F1277-F1282 HydrophobicContact CE1-CD2 4.32Å; F1277-F1282 HydrophobicContact CE1-CE1 4.12Å; F1277-F1282 AromaticContact CE1-CE2 3.66Å; F1277-F1282 HydrophobicContact CE1-CE2 3.66Å; F1277-F1282 AromaticContact CE1-CZ 3.55Å; F1277-F1282 HydrophobicContact CE1-CZ 3.55Å; S1279-F1282 PolarHBondContact O-N 3.45Å; S1279-F1282 VanDerWaalsContact O-N 3.16Å; F1282-H1284 VanDerWaalsContact C-N 3.3Å; F1282-H1284 PolarHBondContact O-N 2.89Å; F1282-C1285 HydrophobicContact CD2-CB 4.31Å; F1282-C1285 HydrophobicContact CE2-CB 4.42Å; F1282-C1285 WeakPolarHBondContact O-CB 3.39Å; F1282-C1285 PolarHBondContact O-N 3.31Å; F1282-M1286 HydrophobicContact CD1-CG 4.01Å; F1282-M1286 HydrophobicContact CD1-SD 3.96Å; F1282-M1286 HydrophobicContact CE1-CG 3.6Å; F1282-M1286 HydrophobicContact CE1-SD 3.71Å; F1282-M1286 HydrophobicContact CZ-CG 4.21Å; F1282-M1286 PolarHBondContact O-N 3.27Å
1283Q86.1Confident85.9Confident11 Ų1121.8 Ų21.85%0.05110%0.104CC..Hα-helixtrans-58.6-39.3177.9-167.3-174.7-45.800112.6I1102 K1103 Y1281 C1285 M1286 V1287I1102-Q1283 HydrophobicContact CG2-CG 3.95Å; K1103-Q1283 PolarHBondContact O-NE2 2.91Å; Y1281-Q1283 VanDerWaalsContact C-N 3.26Å; Y1281-Q1283 PolarHBondContact O-N 2.81Å; Q1283-C1285 VanDerWaalsContact C-N 3.31Å; Q1283-C1285 PolarHBondContact O-N 3.48Å; Q1283-M1286 PolarHBondContact O-N 3.05Å; Q1283-V1287 PolarHBondContact O-N 3.3Å
1284H88Confident85.4Confident25 Ų2521.8 Ų21.812%0.11610%0.104CC..Hα-helixtrans-63.6-36.2175.6-71.5-62.2000111.9N1106 Q1108 D1110 F1111 I1112 Y1281 F1282 M1286 V1287 E1288N1106-H1284 PolarHBondContact ND2-CD2 3.02Å; N1106-H1284 PolarHBondContact ND2-NE2 3.45Å; N1106-H1284 VanDerWaalsContact ND2-NE2 3.13Å; Q1108-H1284 PolarHBondContact O-NE2 3.47Å; D1110-H1284 IonicContact OD2-ND1 3.75Å; D1110-H1284 PolarHBondContact OD2-ND1 3.45Å; F1111-H1284 HydrophobicContact CE1-CB 4.21Å; I1112-H1284 HydrophobicContact CD1-CB 4.02Å; Y1281-H1284 PolarHBondContact O-N 2.88Å; F1282-H1284 VanDerWaalsContact C-N 3.3Å; F1282-H1284 PolarHBondContact O-N 2.89Å; H1284-M1286 VanDerWaalsContact C-N 3.34Å; H1284-M1286 PolarHBondContact O-N 3.43Å; H1284-V1287 PolarHBondContact O-N 2.94Å; H1284-E1288 PolarHBondContact O-N 3.08Å
1285C88.4Confident85.1Confident0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-64.9-36.1175.1-57.40000112.4I1112 F1282 Q1283 E1288 Y1289I1112-C1285 HydrophobicContact CD1-CB 4.38Å; F1282-C1285 HydrophobicContact CD2-CB 4.31Å; F1282-C1285 HydrophobicContact CE2-CB 4.42Å; F1282-C1285 WeakPolarHBondContact O-CB 3.39Å; F1282-C1285 PolarHBondContact O-N 3.31Å; Q1283-C1285 VanDerWaalsContact C-N 3.31Å; Q1283-C1285 PolarHBondContact O-N 3.48Å; C1285-E1288 WeakPolarHBondContact O-CB 3.04Å; C1285-E1288 PolarHBondContact O-N 3.11Å; C1285-Y1289 HydrophobicContact CB-CE2 4.2Å; C1285-Y1289 WeakPolarHBondContact O-CD2 3.4Å; C1285-Y1289 WeakPolarHBondContact O-CE2 3.39Å; C1285-Y1289 PolarHBondContact O-N 2.83Å; C1285-Y1289 VanDerWaalsContact O-N 3.08Å
1286M85Confident84.4Confident1 Ų120 Ų201%0.00511%0.105CC..Hα-helixtrans-66.6-39177-64.2-179.367.600112.5F1100 I1102 M1170 F1177 F1282 Q1283 H1284 Y1289 R1290F1100-M1286 HydrophobicContact CE1-CE 3.95Å; F1100-M1286 HydrophobicContact CE1-SD 3.75Å; F1100-M1286 HydrophobicContact CZ-SD 3.91Å; I1102-M1286 HydrophobicContact CD1-CE 4.43Å; M1170-M1286 HydrophobicContact CE-CE 4.05Å; M1170-M1286 HydrophobicContact CG-CE 3.68Å; M1170-M1286 HydrophobicContact SD-CE 3.69Å; F1177-M1286 HydrophobicContact CD2-CE 3.88Å; F1177-M1286 HydrophobicContact CD2-SD 4.3Å; F1177-M1286 HydrophobicContact CE2-CE 4.28Å; F1177-M1286 HydrophobicContact CE2-SD 4.2Å; F1282-M1286 HydrophobicContact CD1-CG 4.01Å; F1282-M1286 HydrophobicContact CD1-SD 3.96Å; F1282-M1286 HydrophobicContact CE1-CG 3.6Å; F1282-M1286 HydrophobicContact CE1-SD 3.71Å; F1282-M1286 HydrophobicContact CZ-CG 4.21Å; F1282-M1286 PolarHBondContact O-N 3.27Å; Q1283-M1286 PolarHBondContact O-N 3.05Å; H1284-M1286 VanDerWaalsContact C-N 3.34Å; H1284-M1286 PolarHBondContact O-N 3.43Å; M1286-Y1289 PolarHBondContact O-N 3.4Å; M1286-R1290 WeakPolarHBondContact O-CG 3.33Å; M1286-R1290 PolarHBondContact O-N 3.08Å
1287V86Confident83.8Confident24 Ų2422 Ų2215%0.14512%0.115CC..Hα-helixtrans-65.9-40.1174.7177.90000110.8Q1283 H1284 R1290 S1291 K1507 L1514Q1283-V1287 PolarHBondContact O-N 3.3Å; H1284-V1287 PolarHBondContact O-N 2.94Å; V1287-R1290 PolarHBondContact O-N 2.87Å; V1287-S1291 PolarHBondContact O-N 3.49Å; V1287-K1507 HydrophobicContact CG1-CG 4.27Å; V1287-L1514 HydrophobicContact CG1-CB 4.36Å; V1287-L1514 HydrophobicContact CG1-CD1 4.23Å
1288E87.6Confident83.6Confident16 Ų1622.7 Ų22.78%0.07512%0.118CC..Hα-helixtrans-57.3-50.7174-177.262.7-16300111.6I1112 H1284 C1285 R1290 S1291 E1292 K1503 K1507I1112-E1288 HydrophobicContact CD1-CB 4.3Å; I1112-E1288 HydrophobicContact CG2-CG 4.47Å; H1284-E1288 PolarHBondContact O-N 3.08Å; C1285-E1288 WeakPolarHBondContact O-CB 3.04Å; C1285-E1288 PolarHBondContact O-N 3.11Å; E1288-R1290 VanDerWaalsContact C-N 3.3Å; E1288-R1290 PolarHBondContact O-N 3.33Å; E1288-S1291 WeakPolarHBondContact O-CB 3.49Å; E1288-S1291 PolarHBondContact O-N 3.49Å; E1288-S1291 PolarHBondContact O-OG 2.99Å; E1288-E1292 PolarHBondContact O-N 3.23Å; E1288-K1503 WeakPolarHBondContact OE1-CD 3.01Å; E1288-K1503 WeakPolarHBondContact OE1-CE 3.24Å; E1288-K1503 IonicContact OE1-NZ 2.61Å; E1288-K1503 PolarHBondContact OE1-NZ 2.81Å; E1288-K1507 WeakPolarHBondContact OE2-CE 3.42Å; E1288-K1507 IonicContact OE2-NZ 3.56Å; E1288-K1507 PolarHBondContact OE2-NZ 3.31Å
1289Y84.7Confident83.6Confident3 Ų320.6 Ų20.61%0.01211%0.109CC..Hα-helixtrans-62.4-33.9178.9-58.5-44.5000113.2H1128 H1131 N1165 Y1168 C1285 M1286 V1293H1128-Y1289 AromaticContact CE1-CE1 3.4Å; H1128-Y1289 WeakPolarHBondContact CE1-CE1 3.35Å; H1128-Y1289 AromaticContact CE1-CZ 3.85Å; H1128-Y1289 AromaticContact ND1-CE1 3.83Å; H1128-Y1289 AromaticContact ND1-CZ 3.79Å; H1128-Y1289 PolarHBondContact ND1-OH 2.91Å; H1128-Y1289 PolarHBondContact O-OH 2.89Å; H1128-Y1289 VanDerWaalsContact O-OH 3.09Å; H1131-Y1289 PolarHBondContact CE1-OH 3.4Å; H1131-Y1289 VanDerWaalsContact CE1-OH 3.28Å; N1165-Y1289 HydrophobicContact CB-CD1 4.29Å; Y1168-Y1289 HydrophobicContact CD2-CD2 4.29Å; Y1168-Y1289 AromaticContact CD2-CE2 3.95Å; Y1168-Y1289 HydrophobicContact CD2-CE2 3.95Å; Y1168-Y1289 HydrophobicContact CG-CD2 4.33Å; Y1168-Y1289 HydrophobicContact CG-CE2 4.2Å; C1285-Y1289 HydrophobicContact CB-CE2 4.2Å; C1285-Y1289 WeakPolarHBondContact O-CD2 3.4Å; C1285-Y1289 WeakPolarHBondContact O-CE2 3.39Å; C1285-Y1289 PolarHBondContact O-N 2.83Å; C1285-Y1289 VanDerWaalsContact O-N 3.08Å; M1286-Y1289 PolarHBondContact O-N 3.4Å; Y1289-V1293 PolarHBondContact O-N 3.14Å
1290R84.3Confident83.4Confident3 Ų319.1 Ų19.11%0.01110%0.098CC..Hα-helixtrans-65.5-40.3172.7-70.3172.780.682.8-4.4111.4M1170 M1286 V1287 E1288 E1292 V1293 I1294 L1514 L1521M1170-R1290 PolarHBondContact O-NH1 3.14Å; M1286-R1290 WeakPolarHBondContact O-CG 3.33Å; M1286-R1290 PolarHBondContact O-N 3.08Å; V1287-R1290 PolarHBondContact O-N 2.87Å; E1288-R1290 VanDerWaalsContact C-N 3.3Å; E1288-R1290 PolarHBondContact O-N 3.33Å; R1290-E1292 PolarHBondContact O-N 2.71Å; R1290-V1293 PolarHBondContact O-N 3.38Å; R1290-I1294 WeakPolarHBondContact O-CG1 3.38Å; R1290-I1294 PolarHBondContact O-N 2.89Å; R1290-L1514 HydrophobicContact CB-CD2 4.41Å; R1290-L1514 WeakPolarHBondContact CD-O 3.18Å; R1290-L1514 PolarHBondContact NE-O 3.1Å; R1290-L1521 HydrophobicContact CB-CD2 4.39Å; R1290-L1521 HydrophobicContact CG-CD2 4.45Å
1291S84.7Confident83.1Confident0 Ų017 Ų170%010%0.095CC..Hα-helixtrans-65.5-36.1177.880.10000112.9V1287 E1288 I1294 L1295V1287-S1291 PolarHBondContact O-N 3.49Å; E1288-S1291 WeakPolarHBondContact O-CB 3.49Å; E1288-S1291 PolarHBondContact O-N 3.49Å; E1288-S1291 PolarHBondContact O-OG 2.99Å; S1291-I1294 PolarHBondContact O-N 2.9Å; S1291-L1295 PolarHBondContact O-N 3.05Å
1292E82.5Confident82.9Confident20 Ų2015.9 Ų15.99%0.0939%0.09CC..Hα-helixtrans-62.5-44.5176.8-75.5-168.2149.600112.7E1288 R1290 I1294 L1295 A1296 K1503E1288-E1292 PolarHBondContact O-N 3.23Å; R1290-E1292 PolarHBondContact O-N 2.71Å; E1292-I1294 VanDerWaalsContact C-N 3.3Å; E1292-I1294 PolarHBondContact O-N 2.69Å; E1292-L1295 PolarHBondContact O-N 2.86Å; E1292-A1296 PolarHBondContact O-N 2.99Å; E1292-K1503 IonicContact OE1-NZ 3.21Å; E1292-K1503 PolarHBondContact OE1-NZ 2.86Å
1293V78.6Confident82.5Confident57 Ų5719.1 Ų19.135%0.34510%0.104SC..Hα-helixtrans-65.5-34.6179.8174.30000111.9V1169 Y1289 R1290 L1521V1169-V1293 HydrophobicContact CG2-CG2 4.05Å; Y1289-V1293 PolarHBondContact O-N 3.14Å; R1290-V1293 PolarHBondContact O-N 3.38Å; V1293-L1521 HydrophobicContact CB-CD2 3.86Å; V1293-L1521 HydrophobicContact CG1-CD2 3.81Å
1294I80.5Confident82.1Confident3 Ų320.4 Ų20.42%0.01511%0.111CC..Hα-helixtrans-67.3-43.9179.2-67.9166.4000110.9R1290 S1291 E1292 A1296 L1506 L1514 I1524 R1525R1290-I1294 WeakPolarHBondContact O-CG1 3.38Å; R1290-I1294 PolarHBondContact O-N 2.89Å; S1291-I1294 PolarHBondContact O-N 2.9Å; E1292-I1294 VanDerWaalsContact C-N 3.3Å; E1292-I1294 PolarHBondContact O-N 2.69Å; I1294-A1296 PolarHBondContact O-N 3.34Å; I1294-L1506 HydrophobicContact CB-CD2 4.08Å; I1294-L1506 HydrophobicContact CD1-CD2 4.22Å; I1294-L1506 HydrophobicContact CG2-CD2 3.86Å; I1294-L1514 HydrophobicContact CD1-CD2 3.64Å; I1294-I1524 HydrophobicContact CD1-CG2 3.9Å; I1294-R1525 HydrophobicContact CG2-CB 4.48Å; I1294-R1525 HydrophobicContact CG2-CG 4.48Å; I1294-R1525 PolarHBondContact O-NH1 2.83Å
1295L82.1Confident81.7Confident11 Ų1119.6 Ų19.66%0.05811%0.108CC..Hα-helixtrans-873.1-175.3-70.6165.3000115.1S1291 E1292 N1297 R1298 E1502 K1503 L1506S1291-L1295 PolarHBondContact O-N 3.05Å; E1292-L1295 PolarHBondContact O-N 2.86Å; L1295-N1297 PolarHBondContact O-N 2.81Å; L1295-R1298 WeakPolarHBondContact O-CB 3.49Å; L1295-R1298 PolarHBondContact O-N 3.06Å; L1295-E1502 HydrophobicContact CD1-CB 4.33Å; L1295-K1503 HydrophobicContact CD1-CB 4.26Å; L1295-K1503 HydrophobicContact CD1-CG 3.56Å; L1295-L1506 HydrophobicContact CD1-CD2 4.2Å; L1295-L1506 HydrophobicContact CG-CD2 4.32Å
1296A72.9Confident81.4Confident36 Ų3619.7 Ų19.730%0.29811%0.108SC..THydrogen-bonded Turntrans-66.324.2-170.600000118.3E1292 I1294 G1691E1292-A1296 PolarHBondContact O-N 2.99Å; I1294-A1296 PolarHBondContact O-N 3.34Å; A1296-G1691 WeakPolarHBondContact O-CA 3.33Å
1297N76.6Confident80.9Confident64 Ų6422.3 Ų22.334%0.34212%0.122SC..THydrogen-bonded Turntrans-122.5-16.4163.5-16931.8000112.1L1295 A1300 V1301L1295-N1297 PolarHBondContact O-N 2.81Å; N1297-A1300 PolarHBondContact O-N 3.42Å; N1297-V1301 PolarHBondContact O-N 3.25Å
1298R82.8Confident80.4Confident17 Ų1724 Ų246%0.06413%0.128CC..Hα-helixtrans-76.1-34.5-162.1-178.247.9174.6169.40.6113.4L1295 A1300 V1301 L1302 L1499 E1502 V1536L1295-R1298 WeakPolarHBondContact O-CB 3.49Å; L1295-R1298 PolarHBondContact O-N 3.06Å; R1298-A1300 VanDerWaalsContact C-N 3.31Å; R1298-A1300 PolarHBondContact O-N 2.79Å; R1298-V1301 PolarHBondContact O-N 3.06Å; R1298-L1302 HydrophobicContact CG-CD1 4.29Å; R1298-L1302 WeakPolarHBondContact O-CG 3.24Å; R1298-L1302 PolarHBondContact O-N 3.42Å; R1298-L1499 HydrophobicContact CB-CD2 3.92Å; R1298-L1499 HydrophobicContact CG-CD2 3.98Å; R1298-E1502 WeakPolarHBondContact CG-OE2 3.24Å; R1298-E1502 IonicContact CZ-OE1 3.23Å; R1298-E1502 IonicContact NE-OE1 2.71Å; R1298-E1502 PolarHBondContact NE-OE1 2.93Å; R1298-E1502 IonicContact NE-OE2 2.68Å; R1298-E1502 PolarHBondContact NE-OE2 3Å; R1298-E1502 IonicContact NH2-OE1 2.76Å; R1298-E1502 PolarHBondContact NH2-OE1 2.83Å; R1298-V1536 PolarHBondContact NH1-O 2.93Å; R1298-V1536 PolarHBondContact NH2-O 3.44Å
1299G82.7Confident80Confident2 Ų225.1 Ų25.12%0.02113%0.133CC..Hα-helixtrans-68.5-26.9175.700000114K1303 L1690G1299-K1303 WeakPolarHBondContact O-CB 3.16Å; G1299-K1303 PolarHBondContact O-N 3.15Å; G1299-L1690 CarbonylContact C-O 3.53Å; G1299-L1690 VanDerWaalsContact C-O 3.26Å; G1299-L1690 WeakPolarHBondContact CA-O 3.27Å; G1299-L1690 PolarHBondContact N-O 3.39Å
1300A77.3Confident79.5Confident0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-67.5-44.917200000111.7N1297 R1298 K1303 N1304 L1690 L1692 A1696N1297-A1300 PolarHBondContact O-N 3.42Å; R1298-A1300 VanDerWaalsContact C-N 3.31Å; R1298-A1300 PolarHBondContact O-N 2.79Å; A1300-K1303 PolarHBondContact O-N 3.31Å; A1300-N1304 PolarHBondContact O-N 3.26Å; A1300-L1690 PolarHBondContact N-O 3.24Å; A1300-L1690 VanDerWaalsContact N-O 3.15Å; A1300-L1692 HydrophobicContact CB-CD2 3.78Å; A1300-L1692 HydrophobicContact CB-CG 4.45Å; A1300-A1696 HydrophobicContact CB-CB 4.49Å
1301V78.3Confident78.9Confident38 Ų3827.3 Ų27.323%0.2314%0.144CC..Hα-helixtrans-58.9-49.2174.2174.90000110.9N1297 R1298 K1303 N1304 Q1305 T1701N1297-V1301 PolarHBondContact O-N 3.25Å; R1298-V1301 PolarHBondContact O-N 3.06Å; V1301-K1303 VanDerWaalsContact C-N 3.34Å; V1301-K1303 PolarHBondContact O-N 2.94Å; V1301-N1304 PolarHBondContact O-N 2.82Å; V1301-Q1305 WeakPolarHBondContact O-CG 3.41Å; V1301-Q1305 PolarHBondContact O-N 3.36Å; V1301-T1701 HydrophobicContact CG1-CG2 4.08Å
1302L84.3Confident78.6Confident1 Ų133.8 Ų33.81%0.00517%0.172CC..Hα-helixtrans-62-37.4179.2-68.5168.5000112.8R1298 L1306 Y1494 V1495 V1498 V1536R1298-L1302 HydrophobicContact CG-CD1 4.29Å; R1298-L1302 WeakPolarHBondContact O-CG 3.24Å; R1298-L1302 PolarHBondContact O-N 3.42Å; L1302-L1306 PolarHBondContact O-N 3.12Å; L1302-Y1494 HydrophobicContact CD2-CE1 4.42Å; L1302-V1495 HydrophobicContact CB-CG1 4.49Å; L1302-V1495 HydrophobicContact CB-CG2 3.96Å; L1302-V1495 HydrophobicContact CD1-CG1 4.36Å; L1302-V1498 HydrophobicContact CD1-CB 3.91Å; L1302-V1498 HydrophobicContact CD1-CG1 3.64Å; L1302-V1498 HydrophobicContact CD2-CG1 4.25Å; L1302-V1536 HydrophobicContact CD2-CB 3.79Å; L1302-V1536 HydrophobicContact CD2-CG1 4.07Å; L1302-V1536 HydrophobicContact CD2-CG2 4Å
1303K80.2Confident78.2Confident69 Ų6935.3 Ų35.330%0.318%0.179SC..Hα-helixtrans-70-41176.5-177.9163.1176.8146.80112.1G1299 A1300 V1301 L1306 I1307 E1491G1299-K1303 WeakPolarHBondContact O-CB 3.16Å; G1299-K1303 PolarHBondContact O-N 3.15Å; A1300-K1303 PolarHBondContact O-N 3.31Å; V1301-K1303 VanDerWaalsContact C-N 3.34Å; V1301-K1303 PolarHBondContact O-N 2.94Å; K1303-L1306 PolarHBondContact O-N 3.36Å; K1303-I1307 HydrophobicContact CG-CD1 3.94Å; K1303-I1307 HydrophobicContact CG-CG1 4.49Å; K1303-I1307 WeakPolarHBondContact O-CG1 3.2Å; K1303-I1307 PolarHBondContact O-N 2.85Å; K1303-I1307 VanDerWaalsContact O-N 3.08Å; K1303-E1491 WeakPolarHBondContact CE-OE2 3.33Å; K1303-E1491 IonicContact NZ-OE2 2.81Å; K1303-E1491 PolarHBondContact NZ-OE2 3.38Å
1304N75.9Confident77.8Confident38 Ų3832.9 Ų32.920%0.20316%0.164CC..Hα-helixtrans-63.4-44176.6-73.54.2000111.5A1300 V1301 L1306 I1307 E1308 T1701A1300-N1304 PolarHBondContact O-N 3.26Å; V1301-N1304 PolarHBondContact O-N 2.82Å; N1304-L1306 PolarHBondContact O-N 3.27Å; N1304-I1307 PolarHBondContact O-N 3.47Å; N1304-E1308 WeakPolarHBondContact O-CB 3.29Å; N1304-E1308 PolarHBondContact O-N 2.81Å; N1304-T1701 HydrophobicContact CB-CG2 3.93Å
1305Q81.4Confident77.5Confident8 Ų836 Ų364%0.03718%0.181CC..Hα-helixtrans-55.3-38.3174.2-76.8176.2-28.200112.7V1301 K1309 T1701 F1702V1301-Q1305 WeakPolarHBondContact O-CG 3.41Å; V1301-Q1305 PolarHBondContact O-N 3.36Å; Q1305-K1309 PolarHBondContact O-N 3.03Å; Q1305-T1701 HydrophobicContact CG-CG2 3.8Å; Q1305-T1701 PolarHBondContact NE2-O 3.16Å; Q1305-F1702 HydrophobicContact CB-CE1 4.12Å; Q1305-F1702 HydrophobicContact CB-CE2 4.09Å; Q1305-F1702 HydrophobicContact CB-CZ 3.61Å; Q1305-F1702 HydrophobicContact CG-CD1 4.43Å; Q1305-F1702 HydrophobicContact CG-CE1 3.97Å; Q1305-F1702 HydrophobicContact CG-CE2 4.21Å; Q1305-F1702 HydrophobicContact CG-CZ 3.86Å; Q1305-F1702 WeakPolarHBondContact O-CE2 3.12Å; Q1305-F1702 WeakPolarHBondContact O-CZ 3.35Å
1306L80.5Confident77.2Confident3 Ų340.6 Ų40.62%0.01620%0.202CC..Hα-helixtrans-72.3-42.9178.2-168.864000112.5L1302 K1303 N1304 E1308 K1309 E1310 E1491 V1542L1302-L1306 PolarHBondContact O-N 3.12Å; K1303-L1306 PolarHBondContact O-N 3.36Å; N1304-L1306 PolarHBondContact O-N 3.27Å; L1306-E1308 VanDerWaalsContact C-N 3.34Å; L1306-E1308 PolarHBondContact O-N 3.47Å; L1306-K1309 PolarHBondContact O-N 2.8Å; L1306-E1310 PolarHBondContact O-N 2.93Å; L1306-E1491 HydrophobicContact CD2-CB 3.79Å; L1306-E1491 HydrophobicContact CD2-CG 3.72Å; L1306-V1542 HydrophobicContact CD1-CG1 4.22Å
1307I74.5Confident77Confident56 Ų5642.4 Ų42.429%0.28720%0.204SC..Hα-helixtrans-63.9-40.2176.8-66.8166.6000111.2K1303 N1304 E1310 M1311K1303-I1307 HydrophobicContact CG-CD1 3.94Å; K1303-I1307 HydrophobicContact CG-CG1 4.49Å; K1303-I1307 WeakPolarHBondContact O-CG1 3.2Å; K1303-I1307 PolarHBondContact O-N 2.85Å; K1303-I1307 VanDerWaalsContact O-N 3.08Å; N1304-I1307 PolarHBondContact O-N 3.47Å; I1307-E1310 PolarHBondContact O-N 3.14Å; I1307-M1311 WeakPolarHBondContact O-CB 3.5Å; I1307-M1311 PolarHBondContact O-N 3.38Å
1308E75.9Confident76.6Confident60 Ų6041.3 Ų41.328%0.2820%0.197SC..Hα-helixtrans-63.3-41.6177.6-170.7179166.500111.4N1304 L1306 K1312 T1701 F1702N1304-E1308 WeakPolarHBondContact O-CB 3.29Å; N1304-E1308 PolarHBondContact O-N 2.81Å; L1306-E1308 VanDerWaalsContact C-N 3.34Å; L1306-E1308 PolarHBondContact O-N 3.47Å; E1308-K1312 PolarHBondContact O-N 3.33Å; E1308-T1701 WeakPolarHBondContact OE2-CB 3.39Å; E1308-T1701 PolarHBondContact OE2-OG1 2.92Å; E1308-F1702 HydrophobicContact CB-CE2 4.24Å; E1308-F1702 HydrophobicContact CG-CD2 4.33Å; E1308-F1702 HydrophobicContact CG-CE2 4.32Å
1309K79.6Confident76.2Confident38 Ų3847.8 Ų47.817%0.16523%0.225CC..Hα-helixtrans-60.7-54.5172.1178.6-179170.8-177.60111.7Q1305 L1306 M1311 K1312 E1313Q1305-K1309 PolarHBondContact O-N 3.03Å; L1306-K1309 PolarHBondContact O-N 2.8Å; K1309-M1311 VanDerWaalsContact C-N 3.3Å; K1309-M1311 PolarHBondContact O-N 3.44Å; K1309-K1312 PolarHBondContact O-N 3.42Å; K1309-E1313 WeakPolarHBondContact CE-OE1 3.49Å; K1309-E1313 WeakPolarHBondContact CG-OE1 3.44Å; K1309-E1313 PolarHBondContact O-N 3.44Å; K1309-E1313 VanDerWaalsContact O-N 3.17Å
1310E74.9Confident75.9Confident28 Ų2850.4 Ų50.413%0.13125%0.247CC..Hα-helixtrans-60-38.1-177.5-72.8-173.4-177.700112.7L1306 I1307 E1313 Q1314 R1490L1306-E1310 PolarHBondContact O-N 2.93Å; I1307-E1310 PolarHBondContact O-N 3.14Å; E1310-E1313 PolarHBondContact O-N 3.5Å; E1310-Q1314 WeakPolarHBondContact O-CG 3.33Å; E1310-Q1314 PolarHBondContact O-N 2.76Å; E1310-R1490 IonicContact OE1-CZ 3.61Å; E1310-R1490 IonicContact OE1-NH2 2.87Å; E1310-R1490 PolarHBondContact OE1-NH2 2.84Å
1311M72Confident75.3Confident25 Ų2552.3 Ų52.312%0.12326%0.255CS..Hα-helixtrans-65.2-41.6177.8-178.4168.6-55.700112.9I1307 K1309 Q1314 N1315 F1785I1307-M1311 WeakPolarHBondContact O-CB 3.5Å; I1307-M1311 PolarHBondContact O-N 3.38Å; K1309-M1311 VanDerWaalsContact C-N 3.3Å; K1309-M1311 PolarHBondContact O-N 3.44Å; M1311-Q1314 PolarHBondContact O-N 3.34Å; M1311-N1315 WeakPolarHBondContact O-CB 3.25Å; M1311-N1315 PolarHBondContact O-N 2.86Å; M1311-N1315 PolarHBondContact O-ND2 2.84Å; M1311-F1785 HydrophobicContact CE-CB 3.54Å; M1311-F1785 HydrophobicContact CE-CD1 3.85Å; M1311-F1785 HydrophobicContact CE-CG 4.12Å; M1311-F1785 HydrophobicContact SD-CB 4.37Å; M1311-F1785 HydrophobicContact SD-CD1 3.77Å
1312K76.7Confident74.9Confident136 Ų13655.4 Ų55.459%0.59127%0.266SS*.Hα-helixtrans-62.2-47.5178.8-171.6178.9176.5-1760110.1E1308 K1309 Q1314 N1315 E1316E1308-K1312 PolarHBondContact O-N 3.33Å; K1309-K1312 PolarHBondContact O-N 3.42Å; K1312-Q1314 PolarHBondContact O-N 3.3Å; K1312-N1315 PolarHBondContact O-N 2.81Å; K1312-E1316 WeakPolarHBondContact CE-OE1 3.21Å; K1312-E1316 WeakPolarHBondContact CG-OE1 3.34Å; K1312-E1316 WeakPolarHBondContact O-CB 3.47Å; K1312-E1316 WeakPolarHBondContact O-CG 3.32Å; K1312-E1316 PolarHBondContact O-N 2.74Å
1313E73.8Confident74.6Confident52 Ų5260.1 Ų60.124%0.24329%0.291CS..Hα-helixtrans-58.4-44175.3-68171.3-173.100112.2K1309 E1310 Q1317K1309-E1313 WeakPolarHBondContact CE-OE1 3.49Å; K1309-E1313 WeakPolarHBondContact CG-OE1 3.44Å; K1309-E1313 PolarHBondContact O-N 3.44Å; K1309-E1313 VanDerWaalsContact O-N 3.17Å; E1310-E1313 PolarHBondContact O-N 3.5Å; E1313-Q1317 WeakPolarHBondContact O-CB 3.47Å; E1313-Q1317 VanDerWaalsContact O-CG 3.27Å; E1313-Q1317 WeakPolarHBondContact O-CG 3.45Å; E1313-Q1317 PolarHBondContact O-N 2.83Å
1314Q70.1Confident74.2Confident6 Ų659.5 Ų59.53%0.02829%0.291CS..Hα-helixtrans-62.8-46.6176.7-79.7-169.7-25.200113.2E1310 M1311 K1312 Q1317 Q1318 P1384 Y1787E1310-Q1314 WeakPolarHBondContact O-CG 3.33Å; E1310-Q1314 PolarHBondContact O-N 2.76Å; M1311-Q1314 PolarHBondContact O-N 3.34Å; K1312-Q1314 PolarHBondContact O-N 3.3Å; Q1314-Q1317 PolarHBondContact O-N 2.87Å; Q1314-Q1318 WeakPolarHBondContact O-CG 3.27Å; Q1314-Q1318 PolarHBondContact O-N 2.93Å; Q1314-P1384 HydrophobicContact CG-CG 3.61Å; Q1314-Y1787 VanDerWaalsContact NE2-CE2 3.32Å
1315N74.8Confident73.9Confident69 Ų6959.2 Ų59.237%0.36929%0.289SS..Hα-helixtrans-67.1-37.5-178.8-76.3-29.6000111.9M1311 K1312 K1319M1311-N1315 WeakPolarHBondContact O-CB 3.25Å; M1311-N1315 PolarHBondContact O-N 2.86Å; M1311-N1315 PolarHBondContact O-ND2 2.84Å; K1312-N1315 PolarHBondContact O-N 2.81Å; N1315-K1319 WeakPolarHBondContact O-CB 3.39Å; N1315-K1319 WeakPolarHBondContact O-CG 3.36Å; N1315-K1319 PolarHBondContact O-N 3.45Å; N1315-K1319 VanDerWaalsContact O-N 3.07Å
1316E76.6Confident73.6Confident107 Ų10766 Ų6650%0.531%0.314SS..Hα-helixtrans-64.6-45173.3-73172-174.500111K1312 K1319 A1320K1312-E1316 WeakPolarHBondContact CE-OE1 3.21Å; K1312-E1316 WeakPolarHBondContact CG-OE1 3.34Å; K1312-E1316 WeakPolarHBondContact O-CB 3.47Å; K1312-E1316 WeakPolarHBondContact O-CG 3.32Å; K1312-E1316 PolarHBondContact O-N 2.74Å; E1316-K1319 PolarHBondContact O-N 3.03Å; E1316-A1320 VanDerWaalsContact O-CB 3.28Å; E1316-A1320 WeakPolarHBondContact O-CB 3.38Å; E1316-A1320 PolarHBondContact O-N 3.22Å
1317Q69Low73.6Confident73 Ų7374.8 Ų74.834%0.34135%0.347SS..Hα-helixtrans-64-39.8175.9-74.417917.900113.3E1313 Q1314 A1320 K1321E1313-Q1317 WeakPolarHBondContact O-CB 3.47Å; E1313-Q1317 VanDerWaalsContact O-CG 3.27Å; E1313-Q1317 WeakPolarHBondContact O-CG 3.45Å; E1313-Q1317 PolarHBondContact O-N 2.83Å; Q1314-Q1317 PolarHBondContact O-N 2.87Å; Q1317-A1320 PolarHBondContact O-N 2.98Å; Q1317-K1321 WeakPolarHBondContact O-CB 3.49Å; Q1317-K1321 VanDerWaalsContact O-CG 3.31Å; Q1317-K1321 WeakPolarHBondContact O-CG 3.49Å; Q1317-K1321 PolarHBondContact O-N 3.13Å
1318Q66.6Low73.3Confident41 Ų4175.4 Ų75.419%0.19235%0.346CS..Hα-helixtrans-66.8-45.6177.1-76.6-171.3-300112Q1314 A1320 K1321 F1322 I1788Q1314-Q1318 WeakPolarHBondContact O-CG 3.27Å; Q1314-Q1318 PolarHBondContact O-N 2.93Å; Q1318-A1320 VanDerWaalsContact C-N 3.33Å; Q1318-A1320 PolarHBondContact O-N 2.8Å; Q1318-K1321 PolarHBondContact O-N 2.82Å; Q1318-F1322 WeakPolarHBondContact O-CB 3.43Å; Q1318-F1322 PolarHBondContact O-N 3.23Å; Q1318-I1788 VanDerWaalsContact OE1-CD1 3.26Å
1319K75.4Confident73.1Confident153 Ų15373.2 Ų73.267%0.66534%0.337SS*.Hα-helixtrans-61.1-42.1174.7-73.4178.9178.6-176.80111.8N1315 E1316 F1322 N1323N1315-K1319 WeakPolarHBondContact O-CB 3.39Å; N1315-K1319 WeakPolarHBondContact O-CG 3.36Å; N1315-K1319 PolarHBondContact O-N 3.45Å; N1315-K1319 VanDerWaalsContact O-N 3.07Å; E1316-K1319 PolarHBondContact O-N 3.03Å; K1319-F1322 PolarHBondContact O-N 3.13Å; K1319-N1323 WeakPolarHBondContact O-CB 3.36Å; K1319-N1323 VanDerWaalsContact O-CG 3.23Å; K1319-N1323 PolarHBondContact O-N 3.17Å; K1319-N1323 PolarHBondContact O-ND2 3.06Å
1320A76.4Confident73.2Confident58 Ų5875.5 Ų75.548%0.47935%0.348SS..Hα-helixtrans-60.9-47.5175.200000111.8E1316 Q1317 Q1318 N1323 D1324E1316-A1320 VanDerWaalsContact O-CB 3.28Å; E1316-A1320 WeakPolarHBondContact O-CB 3.38Å; E1316-A1320 PolarHBondContact O-N 3.22Å; Q1317-A1320 PolarHBondContact O-N 2.98Å; Q1318-A1320 VanDerWaalsContact C-N 3.33Å; Q1318-A1320 PolarHBondContact O-N 2.8Å; A1320-N1323 PolarHBondContact O-N 3.46Å; A1320-D1324 VanDerWaalsContact O-CB 3.26Å; A1320-D1324 WeakPolarHBondContact O-CB 3.45Å; A1320-D1324 PolarHBondContact O-N 3.22Å
1321K65.4Low73.3Confident39 Ų3975.6 Ų75.617%0.1735%0.354CS..Hα-helixtrans-62.7-43.6176.8-74.8176.3-177.9-1750112.2Q1317 Q1318 D1324 I1325 V1379 D1380 S1381 F1382Q1317-K1321 WeakPolarHBondContact O-CB 3.49Å; Q1317-K1321 VanDerWaalsContact O-CG 3.31Å; Q1317-K1321 WeakPolarHBondContact O-CG 3.49Å; Q1317-K1321 PolarHBondContact O-N 3.13Å; Q1318-K1321 PolarHBondContact O-N 2.82Å; K1321-D1324 PolarHBondContact O-N 3.48Å; K1321-I1325 WeakPolarHBondContact O-CB 3.32Å; K1321-I1325 VanDerWaalsContact O-CD1 3.26Å; K1321-I1325 WeakPolarHBondContact O-CD1 3.24Å; K1321-I1325 VanDerWaalsContact O-CG1 3.24Å; K1321-I1325 WeakPolarHBondContact O-CG1 3.38Å; K1321-I1325 PolarHBondContact O-N 2.93Å; K1321-V1379 HydrophobicContact CD-CG1 3.69Å; K1321-V1379 VanDerWaalsContact CE-CG1 3.49Å; K1321-V1379 HydrophobicContact CG-CG1 4.25Å; K1321-D1380 PolarHBondContact NZ-O 3.44Å; K1321-S1381 PolarHBondContact NZ-O 3.3Å; K1321-F1382 HydrophobicContact CD-CE1 4.49Å
1322F69.7Low73.3Confident103 Ų10375.3 Ų75.345%0.45235%0.353SS..Hα-helixtrans-62.6-45.4177.8-174.7-92.6000111.9Q1318 K1319 D1324 I1325 R1326Q1318-F1322 WeakPolarHBondContact O-CB 3.43Å; Q1318-F1322 PolarHBondContact O-N 3.23Å; K1319-F1322 PolarHBondContact O-N 3.13Å; F1322-D1324 VanDerWaalsContact C-N 3.32Å; F1322-D1324 PolarHBondContact O-N 2.81Å; F1322-I1325 PolarHBondContact O-N 3.11Å; F1322-R1326 WeakPolarHBondContact O-CB 3.33Å; F1322-R1326 PolarHBondContact O-N 3.23Å
1323N77.7Confident73.4Confident100 Ų10075.3 Ų75.354%0.53535%0.349SS..Hα-helixtrans-62.9-38.4175.4-71.6-15.4000112.1K1319 A1320 R1327K1319-N1323 WeakPolarHBondContact O-CB 3.36Å; K1319-N1323 VanDerWaalsContact O-CG 3.23Å; K1319-N1323 PolarHBondContact O-N 3.17Å; K1319-N1323 PolarHBondContact O-ND2 3.06Å; A1320-N1323 PolarHBondContact O-N 3.46Å; N1323-R1327 VanDerWaalsContact O-CB 3.22Å; N1323-R1327 WeakPolarHBondContact O-CB 3.22Å; N1323-R1327 PolarHBondContact O-N 3.11Å
1324D72Confident73.7Confident56 Ų5678 Ų7830%0.29936%0.361SS..Hα-helixtrans-66.6-45.6175.4-179.231.9000111.8A1320 K1321 F1322 R1326 R1327 R1328A1320-D1324 VanDerWaalsContact O-CB 3.26Å; A1320-D1324 WeakPolarHBondContact O-CB 3.45Å; A1320-D1324 PolarHBondContact O-N 3.22Å; K1321-D1324 PolarHBondContact O-N 3.48Å; F1322-D1324 VanDerWaalsContact C-N 3.32Å; F1322-D1324 PolarHBondContact O-N 2.81Å; D1324-R1326 PolarHBondContact O-N 2.76Å; D1324-R1327 PolarHBondContact O-N 2.97Å; D1324-R1328 WeakPolarHBondContact O-CB 3.43Å; D1324-R1328 WeakPolarHBondContact O-CG 3.32Å; D1324-R1328 PolarHBondContact O-N 3.34Å; D1324-R1328 IonicContact OD1-CZ 2.73Å; D1324-R1328 IonicContact OD1-NE 2.7Å; D1324-R1328 PolarHBondContact OD1-NE 2.74Å; D1324-R1328 IonicContact OD1-NH2 3.42Å; D1324-R1328 IonicContact OD2-CZ 3.72Å; D1324-R1328 IonicContact OD2-NE 3.08Å; D1324-R1328 PolarHBondContact OD2-NE 2.86Å; D1324-R1328 VanDerWaalsContact OD2-NE 3.08Å; D1324-R1328 IonicContact OD2-NH2 2.92Å; D1324-R1328 PolarHBondContact OD2-NH2 3.21Å
1325I68.4Low73.8Confident32 Ų3282.4 Ų82.416%0.16438%0.378CS..Hα-helixtrans-60.4-44.9174.7-69.6153.7000111.4K1321 F1322 R1328 T1329 L1918 L2363K1321-I1325 WeakPolarHBondContact O-CB 3.32Å; K1321-I1325 VanDerWaalsContact O-CD1 3.26Å; K1321-I1325 WeakPolarHBondContact O-CD1 3.24Å; K1321-I1325 VanDerWaalsContact O-CG1 3.24Å; K1321-I1325 WeakPolarHBondContact O-CG1 3.38Å; K1321-I1325 PolarHBondContact O-N 2.93Å; F1322-I1325 PolarHBondContact O-N 3.11Å; I1325-R1328 PolarHBondContact O-N 2.83Å; I1325-T1329 PolarHBondContact O-N 2.81Å; I1325-T1329 PolarHBondContact O-OG1 2.81Å; I1325-L1918 HydrophobicContact CD1-CD1 3.6Å; I1325-L1918 HydrophobicContact CD1-CD2 3.4Å; I1325-L1918 VanDerWaalsContact CD1-CD2 3.4Å; I1325-L1918 HydrophobicContact CD1-CG 4.13Å; I1325-L1918 HydrophobicContact CG1-CD2 4.39Å; I1325-L2363 HydrophobicContact CG1-CD1 4.48Å; I1325-L2363 HydrophobicContact CG2-CD1 4.23Å; I1325-L2363 HydrophobicContact CG2-CD2 4.25Å; I1325-L2363 HydrophobicContact CG2-CG 4.08Å
1326R76.5Confident73.7Confident151 Ų15180 Ų8057%0.5736%0.364SS*.Hα-helixtrans-59.4-51.7175.2178.1175.5176168.31.4111F1322 D1324 R1328 T1329 E1330F1322-R1326 WeakPolarHBondContact O-CB 3.33Å; F1322-R1326 PolarHBondContact O-N 3.23Å; D1324-R1326 PolarHBondContact O-N 2.76Å; R1326-R1328 VanDerWaalsContact C-N 3.26Å; R1326-R1328 PolarHBondContact O-N 2.83Å; R1326-T1329 PolarHBondContact O-N 2.83Å; R1326-T1329 VanDerWaalsContact O-N 3.16Å; R1326-E1330 VanDerWaalsContact CG-OE1 3.3Å; R1326-E1330 WeakPolarHBondContact CG-OE1 3.48Å; R1326-E1330 IonicContact CZ-OE1 2.78Å; R1326-E1330 IonicContact NE-OE1 3.9Å; R1326-E1330 PolarHBondContact NE-OE1 2.84Å; R1326-E1330 IonicContact NH2-OE1 3.2Å; R1326-E1330 WeakPolarHBondContact O-CB 3.45Å; R1326-E1330 WeakPolarHBondContact O-CG 3.23Å; R1326-E1330 PolarHBondContact O-N 3.49Å
1327R78.8Confident73.7Confident188 Ų18879.4 Ų79.471%0.70936%0.361SS*.Hα-helixtrans-58.8-36.2176.8-174.6-179-177.2-169.40.4112.3N1323 D1324 A1331N1323-R1327 VanDerWaalsContact O-CB 3.22Å; N1323-R1327 WeakPolarHBondContact O-CB 3.22Å; N1323-R1327 PolarHBondContact O-N 3.11Å; D1324-R1327 PolarHBondContact O-N 2.97Å; R1327-A1331 WeakPolarHBondContact O-CB 2.91Å; R1327-A1331 PolarHBondContact O-N 2.82Å
1328R68.5Low74Confident68 Ų6880.9 Ų80.926%0.25737%0.366SS..Hα-helixtrans-69.2-44.9174.9-72.9167.9-171.2-150.66.2111.8D1324 I1325 R1326 E1330 A1331 I1332D1324-R1328 WeakPolarHBondContact O-CB 3.43Å; D1324-R1328 WeakPolarHBondContact O-CG 3.32Å; D1324-R1328 PolarHBondContact O-N 3.34Å; D1324-R1328 IonicContact OD1-CZ 2.73Å; D1324-R1328 IonicContact OD1-NE 2.7Å; D1324-R1328 PolarHBondContact OD1-NE 2.74Å; D1324-R1328 IonicContact OD1-NH2 3.42Å; D1324-R1328 IonicContact OD2-CZ 3.72Å; D1324-R1328 IonicContact OD2-NE 3.08Å; D1324-R1328 PolarHBondContact OD2-NE 2.86Å; D1324-R1328 VanDerWaalsContact OD2-NE 3.08Å; D1324-R1328 IonicContact OD2-NH2 2.92Å; D1324-R1328 PolarHBondContact OD2-NH2 3.21Å; I1325-R1328 PolarHBondContact O-N 2.83Å; R1326-R1328 VanDerWaalsContact C-N 3.26Å; R1326-R1328 PolarHBondContact O-N 2.83Å; R1328-E1330 VanDerWaalsContact C-N 3.34Å; R1328-E1330 PolarHBondContact O-N 2.78Å; R1328-A1331 PolarHBondContact O-N 3.33Å; R1328-I1332 WeakPolarHBondContact O-CB 3.35Å; R1328-I1332 WeakPolarHBondContact O-CD1 3.21Å; R1328-I1332 WeakPolarHBondContact O-CG1 3.34Å; R1328-I1332 PolarHBondContact O-N 3.34Å
1329T72.9Confident74.2Confident15 Ų1580.2 Ų80.29%0.09236%0.363CS..Hα-helixtrans-61.2-45.9176.8-450000110.6I1325 R1326 I1332 R1333 L2363 A2367I1325-T1329 PolarHBondContact O-N 2.81Å; I1325-T1329 PolarHBondContact O-OG1 2.81Å; R1326-T1329 PolarHBondContact O-N 2.83Å; R1326-T1329 VanDerWaalsContact O-N 3.16Å; T1329-I1332 PolarHBondContact O-N 2.84Å; T1329-R1333 WeakPolarHBondContact O-CB 3.35Å; T1329-R1333 PolarHBondContact O-N 3.42Å; T1329-L2363 WeakPolarHBondContact OG1-CD2 3.24Å; T1329-A2367 HydrophobicContact CG2-CB 3.94Å
1330E80.3Confident73.9Confident86 Ų8674.9 Ų74.940%0.40234%0.341SS..Hα-helixtrans-59.9-45.6174.4-70166.9-179.400110.9R1326 R1328 R1333 E1334R1326-E1330 VanDerWaalsContact CG-OE1 3.3Å; R1326-E1330 WeakPolarHBondContact CG-OE1 3.48Å; R1326-E1330 IonicContact CZ-OE1 2.78Å; R1326-E1330 IonicContact NE-OE1 3.9Å; R1326-E1330 PolarHBondContact NE-OE1 2.84Å; R1326-E1330 IonicContact NH2-OE1 3.2Å; R1326-E1330 WeakPolarHBondContact O-CB 3.45Å; R1326-E1330 WeakPolarHBondContact O-CG 3.23Å; R1326-E1330 PolarHBondContact O-N 3.49Å; R1328-E1330 VanDerWaalsContact C-N 3.34Å; R1328-E1330 PolarHBondContact O-N 2.78Å; E1330-R1333 PolarHBondContact O-N 2.96Å; E1330-E1334 PolarHBondContact O-N 3.48Å
1331A77.7Confident73.8Confident30 Ų3077.7 Ų77.725%0.24835%0.345CS..Hα-helixtrans-67.2-36.6177.300000114.2R1327 R1328 R1335R1327-A1331 WeakPolarHBondContact O-CB 2.91Å; R1327-A1331 PolarHBondContact O-N 2.82Å; R1328-A1331 PolarHBondContact O-N 3.33Å; A1331-R1335 WeakPolarHBondContact O-CB 3.35Å; A1331-R1335 WeakPolarHBondContact O-CG 3.37Å; A1331-R1335 PolarHBondContact O-N 3.14Å
1332I70.8Confident74Confident19 Ų1985.3 Ų85.310%0.09737%0.372CS..Hα-helixtrans-66.8-44.7174.9-65.3159.7000109.1R1328 T1329 E1334 R1335 Y1336 D2360 L2372 L2376R1328-I1332 WeakPolarHBondContact O-CB 3.35Å; R1328-I1332 WeakPolarHBondContact O-CD1 3.21Å; R1328-I1332 WeakPolarHBondContact O-CG1 3.34Å; R1328-I1332 PolarHBondContact O-N 3.34Å; T1329-I1332 PolarHBondContact O-N 2.84Å; I1332-E1334 PolarHBondContact O-N 3.5Å; I1332-R1335 PolarHBondContact O-N 2.84Å; I1332-Y1336 WeakPolarHBondContact O-CB 3.35Å; I1332-Y1336 PolarHBondContact O-N 3.31Å; I1332-D2360 HydrophobicContact CD1-CB 4.11Å; I1332-L2372 HydrophobicContact CB-CD2 4.47Å; I1332-L2372 HydrophobicContact CG2-CD1 4.23Å; I1332-L2372 HydrophobicContact CG2-CD2 3.91Å; I1332-L2372 HydrophobicContact CG2-CG 4.38Å; I1332-L2376 HydrophobicContact CG2-CD1 4.21Å; I1332-L2376 HydrophobicContact CG2-CD2 4.46Å
1333R79.6Confident73.8Confident136 Ų13680.4 Ų80.451%0.51335%0.351SS..Hα-helixtrans-59.1-47175.4-173.2-175.7-75.1170.2-6.8111.4T1329 E1330 Y1336 Q1337 D2369 L2372T1329-R1333 WeakPolarHBondContact O-CB 3.35Å; T1329-R1333 PolarHBondContact O-N 3.42Å; E1330-R1333 PolarHBondContact O-N 2.96Å; R1333-Y1336 PolarHBondContact O-N 3.49Å; R1333-Q1337 WeakPolarHBondContact O-CB 3.39Å; R1333-Q1337 PolarHBondContact O-N 2.83Å; R1333-D2369 IonicContact CZ-OD2 3.26Å; R1333-D2369 VanDerWaalsContact CZ-OD2 3.3Å; R1333-D2369 IonicContact NE-OD2 3.71Å; R1333-D2369 PolarHBondContact NE-OD2 2.93Å; R1333-D2369 VanDerWaalsContact NE-OD2 3.08Å; R1333-D2369 IonicContact NH2-OD2 2.99Å; R1333-D2369 PolarHBondContact NH2-OD2 3.27Å; R1333-L2372 HydrophobicContact CB-CD2 4.35Å
1334E81.1Confident73.2Confident108 Ų10878.5 Ų78.551%0.50535%0.349SS..Hα-helixtrans-59.6-45.9173.9-83-167.1-148.700113.1E1330 I1332 Y1336 Q1337 K1338E1330-E1334 PolarHBondContact O-N 3.48Å; I1332-E1334 PolarHBondContact O-N 3.5Å; E1334-Y1336 VanDerWaalsContact C-N 3.32Å; E1334-Y1336 PolarHBondContact O-N 3.5Å; E1334-Q1337 PolarHBondContact O-N 2.9Å; E1334-K1338 WeakPolarHBondContact O-CB 3.44Å; E1334-K1338 WeakPolarHBondContact O-CD 3.42Å; E1334-K1338 VanDerWaalsContact O-CG 3.25Å; E1334-K1338 WeakPolarHBondContact O-CG 3.35Å; E1334-K1338 PolarHBondContact O-N 2.99Å; E1334-K1338 IonicContact OE2-NZ 3.63Å; E1334-K1338 PolarHBondContact OE2-NZ 2.95Å
1335R72.4Confident72.9Confident99 Ų9980.5 Ų80.537%0.37437%0.373SS..Hα-helixtrans-62.1-42.1179-75.5169.7-163.3-160.33.5111A1331 I1332 K1338 Q1339 D1373A1331-R1335 WeakPolarHBondContact O-CB 3.35Å; A1331-R1335 WeakPolarHBondContact O-CG 3.37Å; A1331-R1335 PolarHBondContact O-N 3.14Å; I1332-R1335 PolarHBondContact O-N 2.84Å; R1335-K1338 PolarHBondContact O-N 3.18Å; R1335-Q1339 VanDerWaalsContact O-CG 3.32Å; R1335-Q1339 WeakPolarHBondContact O-CG 3.34Å; R1335-Q1339 PolarHBondContact O-N 3.37Å; R1335-D1373 IonicContact CZ-OD1 2.8Å; R1335-D1373 IonicContact NH1-OD1 3.98Å; R1335-D1373 PolarHBondContact NH1-OD1 3.44Å
1336Y70.8Confident72.6Confident18 Ų1884 Ų847%0.07139%0.389CS..Hα-helixtrans-69.1-42.8179.1-163.2-103.8000111.5I1332 R1333 E1334 K1338 Q1339 I1340 M1365 L2372 D2375I1332-Y1336 WeakPolarHBondContact O-CB 3.35Å; I1332-Y1336 PolarHBondContact O-N 3.31Å; R1333-Y1336 PolarHBondContact O-N 3.49Å; E1334-Y1336 VanDerWaalsContact C-N 3.32Å; E1334-Y1336 PolarHBondContact O-N 3.5Å; Y1336-K1338 VanDerWaalsContact C-N 3.34Å; Y1336-K1338 PolarHBondContact O-N 3.28Å; Y1336-Q1339 CarbonylContact O-C 3.57Å; Y1336-Q1339 WeakPolarHBondContact O-CA 3.26Å; Y1336-Q1339 WeakPolarHBondContact O-CB 3.45Å; Y1336-Q1339 PolarHBondContact O-N 3.44Å; Y1336-I1340 HydrophobicContact CD1-CD1 3.7Å; Y1336-I1340 HydrophobicContact CD1-CG1 4.09Å; Y1336-I1340 HydrophobicContact CE1-CD1 3.66Å; Y1336-I1340 HydrophobicContact CE1-CG1 3.9Å; Y1336-I1340 WeakPolarHBondContact O-CG1 3.42Å; Y1336-I1340 PolarHBondContact O-N 2.81Å; Y1336-M1365 HydrophobicContact CE2-CE 3.69Å; Y1336-L2372 HydrophobicContact CD1-CD1 4.17Å; Y1336-L2372 HydrophobicContact CG-CD1 3.99Å; Y1336-D2375 HydrophobicContact CD1-CB 4.33Å; Y1336-D2375 HydrophobicContact CE1-CB 3.53Å; Y1336-D2375 WeakPolarHBondContact CE1-OD2 3.4Å; Y1336-D2375 HydrophobicContact CE2-CB 4.09Å; Y1336-D2375 VanDerWaalsContact CZ-CB 3.4Å; Y1336-D2375 VanDerWaalsContact CZ-CG 3.45Å; Y1336-D2375 WeakPolarHBondContact OH-CB 3.35Å; Y1336-D2375 PolarHBondContact OH-OD1 3.43Å
1337Q77.2Confident71.8Confident94 Ų9480.4 Ų80.444%0.43938%0.376SS..Hα-helixtrans-58.4-43.9173-171.564.121.100111.9R1333 E1334 Q1339 I1340 E1341R1333-Q1337 WeakPolarHBondContact O-CB 3.39Å; R1333-Q1337 PolarHBondContact O-N 2.83Å; E1334-Q1337 PolarHBondContact O-N 2.9Å; Q1337-Q1339 VanDerWaalsContact C-N 3.28Å; Q1337-Q1339 PolarHBondContact O-N 2.98Å; Q1337-I1340 WeakPolarHBondContact O-CB 3.27Å; Q1337-I1340 PolarHBondContact O-N 3.05Å; Q1337-E1341 WeakPolarHBondContact O-CG 3.44Å; Q1337-E1341 PolarHBondContact O-N 3.14Å
1338K75.6Confident70.9Confident104 Ų10480 Ų8045%0.45239%0.387SS..Hα-helixtrans-64.6-28.5173.7-71.3161.3-177.61630112.9E1334 R1335 Y1336 R1342E1334-K1338 WeakPolarHBondContact O-CB 3.44Å; E1334-K1338 WeakPolarHBondContact O-CD 3.42Å; E1334-K1338 VanDerWaalsContact O-CG 3.25Å; E1334-K1338 WeakPolarHBondContact O-CG 3.35Å; E1334-K1338 PolarHBondContact O-N 2.99Å; E1334-K1338 IonicContact OE2-NZ 3.63Å; E1334-K1338 PolarHBondContact OE2-NZ 2.95Å; R1335-K1338 PolarHBondContact O-N 3.18Å; Y1336-K1338 VanDerWaalsContact C-N 3.34Å; Y1336-K1338 PolarHBondContact O-N 3.28Å; K1338-R1342 WeakPolarHBondContact O-CB 3.12Å; K1338-R1342 VanDerWaalsContact O-CG 3.24Å; K1338-R1342 WeakPolarHBondContact O-CG 3.36Å; K1338-R1342 PolarHBondContact O-N 3.44Å
1339Q70.9Confident70.9Confident27 Ų2782.5 Ų82.513%0.12640%0.4CS..Hα-helixtrans-75.5-38.3172.4-74.3168.121.600111.7R1335 Y1336 Q1337 G1343 Y1368R1335-Q1339 VanDerWaalsContact O-CG 3.32Å; R1335-Q1339 WeakPolarHBondContact O-CG 3.34Å; R1335-Q1339 PolarHBondContact O-N 3.37Å; Y1336-Q1339 CarbonylContact O-C 3.57Å; Y1336-Q1339 WeakPolarHBondContact O-CA 3.26Å; Y1336-Q1339 WeakPolarHBondContact O-CB 3.45Å; Y1336-Q1339 PolarHBondContact O-N 3.44Å; Q1337-Q1339 VanDerWaalsContact C-N 3.28Å; Q1337-Q1339 PolarHBondContact O-N 2.98Å; Q1339-G1343 PolarHBondContact O-N 2.86Å; Q1339-Y1368 VanDerWaalsContact NE2-CE1 3.28Å
1340I68.3Low70.7Confident41 Ų4189 Ų8921%0.2143%0.43CS..Hα-helixtrans-57.8-52.4170.6-71.1169.5000110.1Y1336 Q1337 R1342 G1343 A1344Y1336-I1340 HydrophobicContact CD1-CD1 3.7Å; Y1336-I1340 HydrophobicContact CD1-CG1 4.09Å; Y1336-I1340 HydrophobicContact CE1-CD1 3.66Å; Y1336-I1340 HydrophobicContact CE1-CG1 3.9Å; Y1336-I1340 WeakPolarHBondContact O-CG1 3.42Å; Y1336-I1340 PolarHBondContact O-N 2.81Å; Q1337-I1340 WeakPolarHBondContact O-CB 3.27Å; Q1337-I1340 PolarHBondContact O-N 3.05Å; I1340-R1342 PolarHBondContact O-N 3.31Å; I1340-G1343 CarbonylContact O-C 3.54Å; I1340-G1343 PolarHBondContact O-N 3.32Å; I1340-G1343 VanDerWaalsContact O-N 3.16Å; I1340-A1344 PolarHBondContact O-N 2.95Å
1341E74.9Confident70.3Confident118 Ų11886.6 Ų86.655%0.55142%0.422SS*.Hα-helixtrans-61.9-41.2-177.7-72.9165.5-172.200112.4Q1337 A1344Q1337-E1341 WeakPolarHBondContact O-CG 3.44Å; Q1337-E1341 PolarHBondContact O-N 3.14Å; E1341-A1344 WeakPolarHBondContact O-CB 3.36Å; E1341-A1344 PolarHBondContact O-N 3.46Å
1342R68.9Low70.3Confident198 Ų19891.3 Ų91.375%0.74745%0.447SS*.Hα-helixtrans-68.3-36.3174.1-73.2174.1-178.5-169.10.7112.8K1338 I1340 A1344K1338-R1342 WeakPolarHBondContact O-CB 3.12Å; K1338-R1342 VanDerWaalsContact O-CG 3.24Å; K1338-R1342 WeakPolarHBondContact O-CG 3.36Å; K1338-R1342 PolarHBondContact O-N 3.44Å; I1340-R1342 PolarHBondContact O-N 3.31Å; R1342-A1344 VanDerWaalsContact C-N 3.34Å
1343G67.2Low70.9Confident0 Ų093.7 Ų93.70%046%0.462CS..Hα-helixtrans-76.1-17.7177.500000114Q1339 I1340 A1345 E1346 R1347Q1339-G1343 PolarHBondContact O-N 2.86Å; I1340-G1343 CarbonylContact O-C 3.54Å; I1340-G1343 PolarHBondContact O-N 3.32Å; I1340-G1343 VanDerWaalsContact O-N 3.16Å; G1343-A1345 PolarHBondContact O-N 3.11Å; G1343-A1345 VanDerWaalsContact O-N 3.07Å; G1343-E1346 PolarHBondContact O-N 3.29Å; G1343-R1347 WeakPolarHBondContact O-CG 3.36Å; G1343-R1347 PolarHBondContact O-N 3Å
1344A65Low71.1Confident61 Ų6189.9 Ų89.950%0.50445%0.448SS..THydrogen-bonded Turntrans-59.5-22.6-176.400000114.2I1340 E1341 R1342I1340-A1344 PolarHBondContact O-N 2.95Å; E1341-A1344 WeakPolarHBondContact O-CB 3.36Å; E1341-A1344 PolarHBondContact O-N 3.46Å; R1342-A1344 VanDerWaalsContact C-N 3.34Å
1345A66Low71.1Confident98 Ų9885.7 Ų85.781%0.8143%0.434SS*.THydrogen-bonded Turntrans-79.3-13.8173.400000114.4G1343G1343-A1345 PolarHBondContact O-N 3.11Å; G1343-A1345 VanDerWaalsContact O-N 3.07Å
1346E61.8Low71.7Confident106 Ų10684.3 Ų84.350%0.49543%0.432SS..SBendtrans-113.46.2179.8-63.4-177.3149.800112.2G1343 Y1364 K1367G1343-E1346 PolarHBondContact O-N 3.29Å; E1346-Y1364 WeakPolarHBondContact OE2-CB 3.45Å; E1346-K1367 IonicContact OE1-NZ 3.08Å; E1346-K1367 PolarHBondContact OE1-NZ 2.99Å; E1346-K1367 IonicContact OE2-NZ 3.93Å; E1346-K1367 PolarHBondContact OE2-NZ 3.02Å
1347R58.1Low72.1Confident75 Ų7583.8 Ų83.828%0.28343%0.431SS..  trans-102.4115-174.1-79.9176-179.7-158.5-3.1113.7G1343 Y1364G1343-R1347 WeakPolarHBondContact O-CG 3.36Å; G1343-R1347 PolarHBondContact O-N 3Å; R1347-Y1364 PolarHBondContact NE-OH 2.9Å; R1347-Y1364 VanDerWaalsContact NE-OH 3.14Å; R1347-Y1364 PolarHBondContact NH2-OH 3.39Å
1348D60.9Low72.4Confident178 Ų17882.3 Ų82.395%0.95242%0.423SS*.SBendtrans-90.4-6.6166.7-73.2-27.8000114
1349F67.4Low72.7Confident121 Ų12186 Ų8653%0.53143%0.434SS..  trans-147.4127.9-167.6-175.8-109.6000113.7H1356F1349-H1356 HydrophobicContact CE1-CB 3.8Å; F1349-H1356 AromaticContact CE1-CG 3.87Å; F1349-H1356 HydrophobicContact CZ-CB 4.02Å; F1349-H1356 AromaticContact CZ-CD2 3.98Å; F1349-H1356 AromaticContact CZ-CE1 3.74Å; F1349-H1356 AromaticContact CZ-CG 3.56Å; F1349-H1356 AromaticContact CZ-ND1 3.39Å; F1349-H1356 WeakPolarHBondContact CZ-ND1 3.47Å
1350E69.4Low73.1Confident152 Ų15286.1 Ų86.171%0.7144%0.44SS*.  trans-103.8127.9176.2-170.2173.1-163.200111.5V1352E1350-V1352 PolarHBondContact O-N 3.13Å; E1350-V1352 VanDerWaalsContact O-N 3.08Å
1351P71.3Confident73.5Confident36 Ų3684.7 Ų84.723%0.23444%0.435CS..  trans-81.490.5-173.230.6-34.6000114.2T1353 H1356 A1357 A1360P1351-T1353 PolarHBondContact O-N 3.18Å; P1351-H1356 HydrophobicContact CB-CB 3.68Å; P1351-A1357 VanDerWaalsContact CB-CA 3.47Å; P1351-A1357 HydrophobicContact CB-CB 4.04Å; P1351-A1357 VanDerWaalsContact CB-N 3.31Å; P1351-A1360 HydrophobicContact CB-CB 4.07Å; P1351-A1360 HydrophobicContact CG-CB 4Å
1352V79.6Confident73.7Confident128 Ų12881.7 Ų81.778%0.77642%0.423SS*.  trans-72.9-21.9177.2-172.90000114.2E1350E1350-V1352 PolarHBondContact O-N 3.13Å; E1350-V1352 VanDerWaalsContact O-N 3.08Å
1353T82.4Confident74.3Confident69 Ų6978.1 Ų78.142%0.42341%0.411SS..SBendtrans-121.1154.9-177.572.60000111.7P1351 G1355 H1356 A1357P1351-T1353 PolarHBondContact O-N 3.18Å; T1353-G1355 PolarHBondContact O-N 3.26Å; T1353-G1355 VanDerWaalsContact O-N 3.14Å; T1353-H1356 CarbonylContact O-C 3.54Å; T1353-H1356 WeakPolarHBondContact O-CA 3.28Å; T1353-H1356 WeakPolarHBondContact O-CB 3.44Å; T1353-H1356 PolarHBondContact O-N 2.98Å; T1353-H1356 PolarHBondContact OG1-CD2 2.73Å; T1353-H1356 PolarHBondContact OG1-N 3.45Å; T1353-A1357 PolarHBondContact O-N 3.22Å
1354Y83.1Confident74.9Confident56 Ų5679.3 Ų79.322%0.2242%0.415CS..Hα-helixtrans-49.9-41.4173.6177.1-95.8000112.4H1356 A1357 K1358 P1962 D1965 Q2374Y1354-H1356 VanDerWaalsContact C-N 3.28Å; Y1354-H1356 PolarHBondContact O-N 3.23Å; Y1354-A1357 PolarHBondContact O-N 3.17Å; Y1354-K1358 HydrophobicContact CE1-CD 4.06Å; Y1354-K1358 VanDerWaalsContact O-CB 3.28Å; Y1354-K1358 WeakPolarHBondContact O-CB 3.34Å; Y1354-K1358 PolarHBondContact O-N 3.4Å; Y1354-P1962 HydrophobicContact CD1-CG 4.38Å; Y1354-P1962 HydrophobicContact CE1-CG 3.61Å; Y1354-P1962 WeakPolarHBondContact OH-CD 3.46Å; Y1354-D1965 WeakPolarHBondContact OH-CB 3.45Å; Y1354-D1965 PolarHBondContact OH-OD2 2.88Å; Y1354-D1965 VanDerWaalsContact OH-OD2 3.05Å; Y1354-Q2374 HydrophobicContact CD2-CG 3.93Å; Y1354-Q2374 HydrophobicContact CE2-CG 3.97Å
1355G82.2Confident75.3Confident20 Ų2076.5 Ų76.521%0.20639%0.392CS..Hα-helixtrans-67.5-25.4177.200000114T1353 R1359T1353-G1355 PolarHBondContact O-N 3.26Å; T1353-G1355 VanDerWaalsContact O-N 3.14Å; G1355-R1359 WeakPolarHBondContact O-CG 3.21Å; G1355-R1359 PolarHBondContact O-NH1 3.16Å
1356H84.3Confident75.8Confident70 Ų7072.9 Ų72.932%0.32436%0.358SS..Hα-helixtrans-78.9-48.4170.3-61.9178000110.5F1349 P1351 T1353 Y1354 K1358 R1359 A1360F1349-H1356 HydrophobicContact CE1-CB 3.8Å; F1349-H1356 AromaticContact CE1-CG 3.87Å; F1349-H1356 HydrophobicContact CZ-CB 4.02Å; F1349-H1356 AromaticContact CZ-CD2 3.98Å; F1349-H1356 AromaticContact CZ-CE1 3.74Å; F1349-H1356 AromaticContact CZ-CG 3.56Å; F1349-H1356 AromaticContact CZ-ND1 3.39Å; F1349-H1356 WeakPolarHBondContact CZ-ND1 3.47Å; P1351-H1356 HydrophobicContact CB-CB 3.68Å; T1353-H1356 CarbonylContact O-C 3.54Å; T1353-H1356 WeakPolarHBondContact O-CA 3.28Å; T1353-H1356 WeakPolarHBondContact O-CB 3.44Å; T1353-H1356 PolarHBondContact O-N 2.98Å; T1353-H1356 PolarHBondContact OG1-CD2 2.73Å; T1353-H1356 PolarHBondContact OG1-N 3.45Å; Y1354-H1356 VanDerWaalsContact C-N 3.28Å; Y1354-H1356 PolarHBondContact O-N 3.23Å; H1356-K1358 PolarHBondContact O-N 2.89Å; H1356-R1359 CarbonylContact O-C 3.57Å; H1356-R1359 WeakPolarHBondContact O-CA 3.49Å; H1356-R1359 PolarHBondContact O-N 3.49Å; H1356-A1360 WeakPolarHBondContact O-CB 3.36Å; H1356-A1360 PolarHBondContact O-N 3.46Å
1357A80.1Confident76.2Confident7 Ų774.3 Ų74.36%0.05836%0.362CS..Hα-helixtrans-56.1-49.6-178.900000111.5P1351 T1353 Y1354 R1359 A1360 A2378P1351-A1357 VanDerWaalsContact CB-CA 3.47Å; P1351-A1357 HydrophobicContact CB-CB 4.04Å; P1351-A1357 VanDerWaalsContact CB-N 3.31Å; T1353-A1357 PolarHBondContact O-N 3.22Å; Y1354-A1357 PolarHBondContact O-N 3.17Å; A1357-R1359 PolarHBondContact O-N 3.25Å; A1357-A1360 PolarHBondContact O-N 2.91Å; A1357-A2378 VanDerWaalsContact O-CB 3.23Å; A1357-A2378 WeakPolarHBondContact O-CB 3.4Å
1358K83.2Confident76.9Confident63 Ų6372.8 Ų72.827%0.27436%0.357SS..THydrogen-bonded Turntrans-53.2-26173.8-177.2177.4-178.71780114.5Y1354 H1356 D1965 I2381Y1354-K1358 HydrophobicContact CE1-CD 4.06Å; Y1354-K1358 VanDerWaalsContact O-CB 3.28Å; Y1354-K1358 WeakPolarHBondContact O-CB 3.34Å; Y1354-K1358 PolarHBondContact O-N 3.4Å; H1356-K1358 PolarHBondContact O-N 2.89Å; K1358-D1965 WeakPolarHBondContact CE-OD1 3.3Å; K1358-D1965 WeakPolarHBondContact CE-OD2 3.28Å; K1358-D1965 IonicContact NZ-OD1 2.79Å; K1358-D1965 PolarHBondContact NZ-OD1 3.41Å; K1358-D1965 IonicContact NZ-OD2 3.86Å; K1358-D1965 PolarHBondContact NZ-OD2 3.36Å; K1358-I2381 HydrophobicContact CD-CD1 4.49Å; K1358-I2381 HydrophobicContact CG-CD1 3.97Å
1359R82Confident77.2Confident181 Ų18168.6 Ų68.668%0.68334%0.335SS*.THydrogen-bonded Turntrans-105-7.6-178.2-66.2-176.9-178.997-9.4113.9G1355 H1356 A1357 G1361G1355-R1359 WeakPolarHBondContact O-CG 3.21Å; G1355-R1359 PolarHBondContact O-NH1 3.16Å; H1356-R1359 CarbonylContact O-C 3.57Å; H1356-R1359 WeakPolarHBondContact O-CA 3.49Å; H1356-R1359 PolarHBondContact O-N 3.49Å; A1357-R1359 PolarHBondContact O-N 3.25Å; R1359-G1361 PolarHBondContact O-N 3.41Å
1360A79.1Confident77Confident30 Ų3064 Ų6425%0.24832%0.316CS..  trans-81.34.6-174.900000114.3P1351 H1356 A1357P1351-A1360 HydrophobicContact CB-CB 4.07Å; P1351-A1360 HydrophobicContact CG-CB 4Å; H1356-A1360 WeakPolarHBondContact O-CB 3.36Å; H1356-A1360 PolarHBondContact O-N 3.46Å; A1357-A1360 PolarHBondContact O-N 2.91Å
1361G77.7Confident76.6Confident11 Ų1162.3 Ų62.311%0.11331%0.309CS..  trans-66.2135.4173.700000111.9R1359 M1365 F2382R1359-G1361 PolarHBondContact O-N 3.41Å; G1361-M1365 VanDerWaalsContact CA-SD 3.59Å; G1361-F2382 WeakPolarHBondContact O-CD2 3.35Å; G1361-F2382 VanDerWaalsContact O-CE2 3.27Å; G1361-F2382 WeakPolarHBondContact O-CE2 3.49Å
1362D79Confident76.3Confident56 Ų5666.6 Ų66.630%0.29933%0.33SS..  trans-154.1166.4-176.7-17431.4000112.1Y1364 M1365 F1366D1362-Y1364 VanDerWaalsContact C-N 3.27Å; D1362-Y1364 HydrophobicContact CB-CD1 3.84Å; D1362-Y1364 HydrophobicContact CB-CE1 3.71Å; D1362-Y1364 PolarHBondContact O-N 2.8Å; D1362-Y1364 VanDerWaalsContact O-N 3.17Å; D1362-Y1364 WeakPolarHBondContact OD2-CD1 3.43Å; D1362-M1365 WeakPolarHBondContact O-CB 3.37Å; D1362-M1365 WeakPolarHBondContact O-CG 3.42Å; D1362-M1365 PolarHBondContact O-N 3.44Å; D1362-M1365 VanDerWaalsContact O-N 3.13Å; D1362-F1366 WeakPolarHBondContact O-CE2 3.42Å
1363Y80.8Confident75.3Confident123 Ų12361.5 Ų61.548%0.48230%0.298SS..G310 helixtrans-56.4-32.1-172.9-67.7-78.6000114.3M1365 F1366 K1367 F2382 T2389Y1363-M1365 PolarHBondContact O-N 3.15Å; Y1363-M1365 VanDerWaalsContact O-N 3.15Å; Y1363-F1366 PolarHBondContact O-N 3.44Å; Y1363-K1367 PolarHBondContact O-N 3.11Å; Y1363-F2382 HydrophobicContact CD1-CE1 4.05Å; Y1363-F2382 HydrophobicContact CD1-CZ 4.05Å; Y1363-F2382 AromaticContact CD2-CZ 3.88Å; Y1363-F2382 HydrophobicContact CD2-CZ 3.88Å; Y1363-F2382 HydrophobicContact CE1-CE1 4.18Å; Y1363-F2382 HydrophobicContact CE1-CZ 4.04Å; Y1363-F2382 AromaticContact CE2-CZ 3.88Å; Y1363-F2382 HydrophobicContact CE2-CZ 3.88Å; Y1363-F2382 HydrophobicContact CG-CE1 4.28Å; Y1363-F2382 AromaticContact CG-CZ 3.96Å; Y1363-F2382 HydrophobicContact CG-CZ 3.96Å; Y1363-F2382 AromaticContact CZ-CZ 3.95Å; Y1363-T2389 HydrophobicContact CD1-CG2 3.72Å; Y1363-T2389 HydrophobicContact CE1-CG2 3.84Å
1364Y79.4Confident74Confident25 Ų2564.3 Ų64.310%0.09831%0.311CS..G310 helixtrans-59.8-26.5179.673.7-96.1000113.2E1346 R1347 D1362 F1366 K1367E1346-Y1364 WeakPolarHBondContact OE2-CB 3.45Å; R1347-Y1364 PolarHBondContact NE-OH 2.9Å; R1347-Y1364 VanDerWaalsContact NE-OH 3.14Å; R1347-Y1364 PolarHBondContact NH2-OH 3.39Å; D1362-Y1364 VanDerWaalsContact C-N 3.27Å; D1362-Y1364 HydrophobicContact CB-CD1 3.84Å; D1362-Y1364 HydrophobicContact CB-CE1 3.71Å; D1362-Y1364 PolarHBondContact O-N 2.8Å; D1362-Y1364 VanDerWaalsContact O-N 3.17Å; D1362-Y1364 WeakPolarHBondContact OD2-CD1 3.43Å; Y1364-F1366 PolarHBondContact O-N 3.1Å; Y1364-F1366 VanDerWaalsContact O-N 3.12Å; Y1364-K1367 PolarHBondContact O-N 3.32Å
1365M74.2Confident72.4Confident2 Ų265.9 Ų65.91%0.0132%0.322CS..G310 helixtrans-67.2-9.4177.2-55.8176.783.700113.6Y1336 G1361 D1362 Y1363 Y1368 K2379Y1336-M1365 HydrophobicContact CE2-CE 3.69Å; G1361-M1365 VanDerWaalsContact CA-SD 3.59Å; D1362-M1365 WeakPolarHBondContact O-CB 3.37Å; D1362-M1365 WeakPolarHBondContact O-CG 3.42Å; D1362-M1365 PolarHBondContact O-N 3.44Å; D1362-M1365 VanDerWaalsContact O-N 3.13Å; Y1363-M1365 PolarHBondContact O-N 3.15Å; Y1363-M1365 VanDerWaalsContact O-N 3.15Å; M1365-Y1368 VanDerWaalsContact O-CE1 3.31Å; M1365-Y1368 WeakPolarHBondContact O-CE1 3.46Å; M1365-K2379 HydrophobicContact CE-CB 3.71Å; M1365-K2379 HydrophobicContact CE-CD 4.37Å; M1365-K2379 HydrophobicContact CE-CG 4.06Å; M1365-K2379 WeakPolarHBondContact O-CE 3.47Å
1366F75.5Confident70.9Confident22 Ų2267.4 Ų67.410%0.09633%0.327CS..G310 helixtrans-124.2-0.5-176.9-49-84000113.3D1362 Y1363 Y1364 Y1368 K2379 F2382 L2383D1362-F1366 WeakPolarHBondContact O-CE2 3.42Å; Y1363-F1366 PolarHBondContact O-N 3.44Å; Y1364-F1366 PolarHBondContact O-N 3.1Å; Y1364-F1366 VanDerWaalsContact O-N 3.12Å; F1366-Y1368 PolarHBondContact O-N 2.91Å; F1366-K2379 HydrophobicContact CE1-CD 4.35Å; F1366-K2379 HydrophobicContact CE1-CG 3.57Å; F1366-K2379 HydrophobicContact CZ-CB 4.49Å; F1366-K2379 HydrophobicContact CZ-CG 3.52Å; F1366-K2379 WeakPolarHBondContact CZ-O 3.1Å; F1366-F2382 HydrophobicContact CD2-CD1 4.01Å; F1366-F2382 HydrophobicContact CD2-CE1 4.14Å; F1366-F2382 HydrophobicContact CE2-CB 4.33Å; F1366-F2382 AromaticContact CE2-CD1 3.24Å; F1366-F2382 HydrophobicContact CE2-CD1 3.24Å; F1366-F2382 AromaticContact CE2-CE1 3.81Å; F1366-F2382 HydrophobicContact CE2-CE1 3.81Å; F1366-F2382 HydrophobicContact CE2-CG 4.08Å; F1366-F2382 HydrophobicContact CZ-CB 4.34Å; F1366-F2382 AromaticContact CZ-CD1 3.89Å; F1366-F2382 HydrophobicContact CZ-CD1 3.89Å; F1366-L2383 HydrophobicContact CD1-CD1 3.5Å; F1366-L2383 HydrophobicContact CE1-CB 3.88Å; F1366-L2383 HydrophobicContact CE1-CD1 3.37Å; F1366-L2383 HydrophobicContact CE1-CG 4.23Å; F1366-L2383 HydrophobicContact CG-CD1 4.47Å; F1366-L2383 HydrophobicContact CZ-CB 4.04Å; F1366-L2383 HydrophobicContact CZ-CD1 4.26Å
1367K70.8Confident69.2Low135 Ų13572 Ų7259%0.58735%0.349SS*.  trans-71.428.4177.1-68.5178.4-174.4167.20113.5E1346 Y1363 Y1364E1346-K1367 IonicContact OE1-NZ 3.08Å; E1346-K1367 PolarHBondContact OE1-NZ 2.99Å; E1346-K1367 IonicContact OE2-NZ 3.93Å; E1346-K1367 PolarHBondContact OE2-NZ 3.02Å; Y1363-K1367 PolarHBondContact O-N 3.11Å; Y1364-K1367 PolarHBondContact O-N 3.32Å
1368Y72.4Confident67.6Low44 Ų4474 Ų7417%0.17336%0.361CS..SBendtrans-130.3148.8178.277.5-91.3000110.5Q1339 M1365 F1366 P1370 D1373 K2379Q1339-Y1368 VanDerWaalsContact NE2-CE1 3.28Å; M1365-Y1368 VanDerWaalsContact O-CE1 3.31Å; M1365-Y1368 WeakPolarHBondContact O-CE1 3.46Å; F1366-Y1368 PolarHBondContact O-N 2.91Å; Y1368-P1370 WeakPolarHBondContact O-CD 3.33Å; Y1368-D1373 WeakPolarHBondContact CE2-OD2 3.49Å; Y1368-D1373 PolarHBondContact OH-OD2 3.39Å; Y1368-K2379 PolarHBondContact OH-NZ 3.04Å
1369D66.4Low65.6Low90 Ų9074.2 Ų74.248%0.48137%0.368SS..  trans-73.4117.5-174.2-156.2-26.7000111.2E1371 N1372D1369-E1371 PolarHBondContact O-N 3.09Å; D1369-E1371 VanDerWaalsContact O-N 3.15Å; D1369-E1371 PolarHBondContact OD1-N 2.68Å; D1369-N1372 PolarHBondContact O-N 2.97Å
1370P64.8Low63.8Low23 Ų2371.3 Ų71.315%0.14937%0.366CS..G310 helixtrans-63.3-15.6179.924.3-33.7000113.9Y1368 N1372 D1373Y1368-P1370 WeakPolarHBondContact O-CD 3.33Å; P1370-N1372 VanDerWaalsContact C-N 3.3Å; P1370-N1372 PolarHBondContact O-N 3.29Å; P1370-D1373 WeakPolarHBondContact O-CB 3.43Å; P1370-D1373 PolarHBondContact O-N 3.43Å
1371E60.9Low62.1Low117 Ų11772.8 Ų72.855%0.54737%0.374SS..G310 helixtrans-71.8-22.3177-62.2-168.6171.200112.9D1369 D1373 S2397D1369-E1371 PolarHBondContact O-N 3.09Å; D1369-E1371 VanDerWaalsContact O-N 3.15Å; D1369-E1371 PolarHBondContact OD1-N 2.68Å; E1371-D1373 PolarHBondContact O-N 2.71Å; E1371-S2397 WeakPolarHBondContact OE1-CB 3.34Å; E1371-S2397 PolarHBondContact OE1-OG 2.75Å
1372N65.1Low60.3Low126 Ų12675 Ų7567%0.67438%0.381SS*.G310 helixtrans-77.2-8.2172-67.4-57000113.1D1369 P1370 D1374D1369-N1372 PolarHBondContact O-N 2.97Å; P1370-N1372 VanDerWaalsContact C-N 3.3Å; P1370-N1372 PolarHBondContact O-N 3.29Å; N1372-D1374 PolarHBondContact O-N 3.34Å
1373D57.9Low58.8Low21 Ų2174.6 Ų74.611%0.11238%0.38CS..SBendtrans-94.775.4179.9-101.2-6.7000109.6R1335 Y1368 P1370 E1371 L1375 K2356R1335-D1373 IonicContact CZ-OD1 2.8Å; R1335-D1373 IonicContact NH1-OD1 3.98Å; R1335-D1373 PolarHBondContact NH1-OD1 3.44Å; Y1368-D1373 WeakPolarHBondContact CE2-OD2 3.49Å; Y1368-D1373 PolarHBondContact OH-OD2 3.39Å; P1370-D1373 WeakPolarHBondContact O-CB 3.43Å; P1370-D1373 PolarHBondContact O-N 3.43Å; E1371-D1373 PolarHBondContact O-N 2.71Å; D1373-L1375 PolarHBondContact O-N 3.49Å; D1373-K2356 PolarHBondContact O-NZ 2.99Å
1374D55.2Low56.7Low129 Ų12969.6 Ų69.669%0.6936%0.363SS*.  trans-30.2118179.6-76.6-41.8000113.2N1372 V1376 K2356N1372-D1374 PolarHBondContact O-N 3.34Å; D1374-V1376 PolarHBondContact O-N 2.99Å; D1374-V1376 VanDerWaalsContact O-N 3.09Å; D1374-K2356 PolarHBondContact O-NZ 3.33Å
1375L49Very low55Low89 Ų8974.4 Ų74.447%0.46639%0.386SS..  trans-66.2112.3-177.8-74.5170.3000109D1373 E1377 D2352D1373-L1375 PolarHBondContact O-N 3.49Å; L1375-E1377 PolarHBondContact O-N 2.88Å; L1375-E1377 VanDerWaalsContact O-N 3.08Å; L1375-D2352 HydrophobicContact CD2-CB 3.73Å
1376V50.4Low53.8Low51 Ų5175.9 Ų75.931%0.30940%0.395SS..  trans-66.1109.5177.2168.20000108.3D1374D1374-V1376 PolarHBondContact O-N 2.99Å; D1374-V1376 VanDerWaalsContact O-N 3.09Å
1377E49.2Very low52.4Low167 Ų16777.5 Ų77.578%0.7841%0.405SS*.  trans-55.9134.4162.4-67.7-173.9161.100108.2L1375 V1379L1375-E1377 PolarHBondContact O-N 2.88Å; L1375-E1377 VanDerWaalsContact O-N 3.08Å; E1377-V1379 PolarHBondContact O-N 3.32Å
1378P46.5Very low51.3Low49 Ų4975.6 Ų75.632%0.31841%0.406SS..  trans-56.3129.9178.527.4-36.2000108.2D1380 Y1928P1378-D1380 PolarHBondContact O-N 2.99Å; P1378-Y1928 HydrophobicContact CB-CE2 4.36Å; P1378-Y1928 HydrophobicContact CG-CE2 4Å
1379V41.4Very low50Low67 Ų6783.2 Ų83.241%0.40644%0.44SS..  trans-66.3100.8-179179.40000107.9K1321 E1377K1321-V1379 HydrophobicContact CD-CG1 3.69Å; K1321-V1379 VanDerWaalsContact CE-CG1 3.49Å; K1321-V1379 HydrophobicContact CG-CG1 4.25Å; E1377-V1379 PolarHBondContact O-N 3.32Å
1380D43.3Very low49.1Very low121 Ų12181.2 Ų81.265%0.64744%0.436SS*.  trans-53151.1175.3-87.5-37.7000110.2K1321 P1378K1321-D1380 PolarHBondContact NZ-O 3.44Å; P1378-D1380 PolarHBondContact O-N 2.99Å
1381S44.6Very low48.5Very low60 Ų6082 Ų8242%0.4244%0.441SS..  trans-49.8160.3-163.873.20000114.6K1321 V1383K1321-S1381 PolarHBondContact NZ-O 3.3Å; S1381-V1383 PolarHBondContact O-N 3.45Å; S1381-V1383 PolarHBondContact OG-N 3.32Å; S1381-V1383 PolarHBondContact OG-O 2.93Å
1382F39.9Very low48.3Very low58 Ų5878.8 Ų78.825%0.25444%0.435SS..SBendtrans-62.82.1173.3-61.9-79.1000114.5K1321 P1916 L1918K1321-F1382 HydrophobicContact CD-CE1 4.49Å; F1382-P1916 HydrophobicContact CD2-CB 4.38Å; F1382-P1916 HydrophobicContact CE2-CB 4.48Å; F1382-L1918 HydrophobicContact CE1-CB 4.48Å; F1382-L1918 WeakPolarHBondContact CE2-O 3.46Å; F1382-L1918 HydrophobicContact CZ-CB 3.72Å
1383V46Very low48.3Very low47 Ų4774.8 Ų74.829%0.28541%0.41SS..SBendtrans-97.3119.7173.2-172.80000108.2S1381 E1385 R1789S1381-V1383 PolarHBondContact O-N 3.45Å; S1381-V1383 PolarHBondContact OG-N 3.32Å; S1381-V1383 PolarHBondContact OG-O 2.93Å; V1383-E1385 PolarHBondContact O-N 2.85Å; V1383-R1789 HydrophobicContact CG2-CG 4.45Å
1384P38.7Very low48.7Very low18 Ų1879.4 Ų79.412%0.11744%0.435CS..  trans-57.9123171.8-22.332.1000110.4Q1314 V1386Q1314-P1384 HydrophobicContact CG-CG 3.61Å; P1384-V1386 HydrophobicContact CB-CG2 4.11Å; P1384-V1386 WeakPolarHBondContact O-CG2 3.1Å; P1384-V1386 PolarHBondContact O-N 3.44Å
1385E43.2Very low49.6Very low126 Ų12677.7 Ų77.759%0.58942%0.419SS*.  trans-71.982.5163.7-79.1-101.7114.800107.9V1383 D1387 K1487V1383-E1385 PolarHBondContact O-N 2.85Å; E1385-D1387 PolarHBondContact O-N 3.41Å; E1385-K1487 IonicContact OE1-NZ 2.8Å; E1385-K1487 PolarHBondContact OE1-NZ 3.16Å; E1385-K1487 IonicContact OE2-NZ 3.79Å
1386V48.7Very low50.7Low33 Ų3373.6 Ų73.620%0.240%0.397CS..  trans-67.1121.1-175.4-155.20000110.1P1384 R1490P1384-V1386 HydrophobicContact CB-CG2 4.11Å; P1384-V1386 WeakPolarHBondContact O-CG2 3.1Å; P1384-V1386 PolarHBondContact O-N 3.44Å; V1386-R1490 VanDerWaalsContact CG1-NH1 3.29Å
1387D46.5Very low51.8Low56 Ų5674 Ų7430%0.29940%0.398SS..  trans59.973.8178.4-53.3-36.7000116.7E1385 K1389 A1390 R1490E1385-D1387 PolarHBondContact O-N 3.41Å; D1387-K1389 PolarHBondContact O-N 2.97Å; D1387-A1390 HydrophobicContact CB-CB 3.88Å; D1387-A1390 PolarHBondContact O-N 3.35Å; D1387-R1490 IonicContact OD2-NH1 3.1Å
1388P46.6Very low53.1Low95 Ų9567.6 Ų67.662%0.61737%0.37SS*.THydrogen-bonded Turntrans-57.3-20.6177.223-34.3000114A1392P1388-A1392 WeakPolarHBondContact O-CB 3.17Å
1389K45.9Very low54.5Low204 Ų20466.7 Ų66.789%0.88737%0.37SS*.THydrogen-bonded Turntrans-86.9-19.4178.3-66.2178.5-178.5170.60114.6D1387D1387-K1389 PolarHBondContact O-N 2.97Å
1390A47Very low56.4Low48 Ų4865 Ų6540%0.39736%0.358SS..THydrogen-bonded Turntrans-95.7-17.8-173.300000113.8D1387D1387-A1390 HydrophobicContact CB-CB 3.88Å; D1387-A1390 PolarHBondContact O-N 3.35Å
1391T53Low58.2Low40 Ų4059.4 Ų59.425%0.24533%0.328CS..SBendtrans-125.38.6-17859.20000114.9V1483T1391-V1483 VanDerWaalsContact O-CG1 3.28Å; T1391-V1483 WeakPolarHBondContact O-CG1 3.18Å
1392A56.9Low59.8Low50 Ų5062 Ų6241%0.41334%0.335SS..  trans-64.7144.4175.200000112.4P1388 D1394P1388-A1392 WeakPolarHBondContact O-CB 3.17Å; A1392-D1394 PolarHBondContact O-N 2.77Å
1393Y64.2Low61.7Low41 Ų4162.6 Ų62.616%0.16134%0.336CS..  trans-92.687.5174.1-171.5-108.8000110.3R1395 D1397 S1476 D1479 L1480Y1393-R1395 HydrophobicContact CE1-CB 3.86Å; Y1393-R1395 WeakPolarHBondContact CE1-O 3.24Å; Y1393-R1395 HydrophobicContact CE2-CB 4.44Å; Y1393-R1395 PolarHBondContact O-N 3.03Å; Y1393-D1397 WeakPolarHBondContact CD1-OD1 3.49Å; Y1393-S1476 VanDerWaalsContact OH-CA 3.28Å; Y1393-S1476 WeakPolarHBondContact OH-CA 3.41Å; Y1393-S1476 WeakPolarHBondContact OH-CB 3.19Å; Y1393-S1476 PolarHBondContact OH-O 3.29Å; Y1393-S1476 PolarHBondContact OH-OG 3.25Å; Y1393-D1479 HydrophobicContact CE2-CB 4.04Å; Y1393-L1480 HydrophobicContact CD2-CD1 4.48Å; Y1393-L1480 HydrophobicContact CE2-CB 4.35Å; Y1393-L1480 HydrophobicContact CG-CD1 4.24Å
1394D67.4Low63.2Low119 Ų11960.4 Ų60.464%0.63632%0.322SS*.  trans-72.625.1-172.9-68.7-13000115.4A1392 R1431A1392-D1394 PolarHBondContact O-N 2.77Å; D1394-R1431 VanDerWaalsContact C-NH1 3.33Å; D1394-R1431 PolarHBondContact O-NH1 3.21Å
1395R72.6Confident65.1Low93 Ų9359.7 Ų59.735%0.35132%0.318SS..SBendtrans-133.1168.2-176.5-65.1-179.3-176.4165.15.6111.4Y1393 D1397 R1431 D1479Y1393-R1395 HydrophobicContact CE1-CB 3.86Å; Y1393-R1395 WeakPolarHBondContact CE1-O 3.24Å; Y1393-R1395 HydrophobicContact CE2-CB 4.44Å; Y1393-R1395 PolarHBondContact O-N 3.03Å; R1395-D1397 PolarHBondContact O-N 3.26Å; R1395-R1431 PolarHBondContact O-NH2 2.82Å; R1395-D1479 IonicContact CZ-OD2 3.8Å; R1395-D1479 IonicContact NH1-OD2 3.61Å; R1395-D1479 PolarHBondContact NH1-OD2 3.45Å; R1395-D1479 IonicContact NH2-OD2 3.46Å
1396L72.8Confident66.7Low2 Ų255.3 Ų55.31%0.0130%0.3CS..  trans-65.7128.6172.4-73.587.5000110.9Q1400 I1401 V1419 D1423 R1431 A1435 S1476L1396-Q1400 HydrophobicContact CB-CB 4.3Å; L1396-Q1400 HydrophobicContact CD2-CB 4.37Å; L1396-I1401 HydrophobicContact CB-CD1 4.21Å; L1396-I1401 HydrophobicContact CB-CG1 3.67Å; L1396-I1401 WeakPolarHBondContact O-CD1 3.35Å; L1396-V1419 HydrophobicContact CD1-CG1 4.47Å; L1396-V1419 HydrophobicContact CD2-CG2 4.46Å; L1396-D1423 WeakPolarHBondContact CD1-OD1 3.35Å; L1396-D1423 PolarHBondContact N-OD1 3.29Å; L1396-R1431 HydrophobicContact CD1-CG 3.54Å; L1396-R1431 HydrophobicContact CG-CG 4.05Å; L1396-A1435 HydrophobicContact CD2-CB 3.62Å; L1396-S1476 PolarHBondContact O-OG 3.05Å; L1396-S1476 VanDerWaalsContact O-OG 3.08Å
1397D73.2Confident67.9Low61 Ų6155.8 Ų55.833%0.32631%0.307SS..  trans-59.5151.8174.4-78-32.3000111.3Y1393 R1395 G1399 Q1400 I1401Y1393-D1397 WeakPolarHBondContact CD1-OD1 3.49Å; R1395-D1397 PolarHBondContact O-N 3.26Å; D1397-G1399 PolarHBondContact O-N 3.44Å; D1397-G1399 VanDerWaalsContact O-N 3.09Å; D1397-Q1400 HydrophobicContact CB-CB 4.35Å; D1397-Q1400 HydrophobicContact CB-CG 4.16Å; D1397-Q1400 PolarHBondContact O-N 3.2Å; D1397-I1401 WeakPolarHBondContact O-CG1 3.2Å; D1397-I1401 PolarHBondContact O-N 3.12Å
1398P77.5Confident69.2Low31 Ų3154.1 Ų54.120%0.20130%0.298CS..Hα-helixtrans-51.5-35.4172.7-26.334.7000113M1402 S1476 A1477P1398-M1402 WeakPolarHBondContact O-CB 3.32Å; P1398-M1402 PolarHBondContact O-N 2.93Å; P1398-S1476 WeakPolarHBondContact CD-OG 3.36Å; P1398-A1477 HydrophobicContact CG-CB 4.12Å
1399G75.9Confident70.3Confident30 Ų3053.6 Ų53.631%0.30929%0.29SS..Hα-helixtrans-68.8-38.7174.400000114.2D1397 M1402 Y1403D1397-G1399 PolarHBondContact O-N 3.44Å; D1397-G1399 VanDerWaalsContact O-N 3.09Å; G1399-M1402 PolarHBondContact O-N 2.79Å; G1399-Y1403 WeakPolarHBondContact O-CB 3.43Å; G1399-Y1403 PolarHBondContact O-N 2.88Å
1400Q79.6Confident71.6Confident33 Ų3348.3 Ų48.315%0.15427%0.27CS..Hα-helixtrans-69.1-41.5175.3-70.4176-17.400111.4L1396 D1397 M1402 Y1403 A1404 Y1989L1396-Q1400 HydrophobicContact CB-CB 4.3Å; L1396-Q1400 HydrophobicContact CD2-CB 4.37Å; D1397-Q1400 HydrophobicContact CB-CB 4.35Å; D1397-Q1400 HydrophobicContact CB-CG 4.16Å; D1397-Q1400 PolarHBondContact O-N 3.2Å; Q1400-M1402 VanDerWaalsContact C-N 3.31Å; Q1400-M1402 PolarHBondContact O-N 2.97Å; Q1400-Y1403 PolarHBondContact O-N 2.88Å; Q1400-A1404 PolarHBondContact O-N 2.93Å; Q1400-Y1989 HydrophobicContact CG-CE1 4.26Å
1401I82.5Confident72.9Confident2 Ų248.9 Ų48.91%0.0127%0.267CS..Hα-helixtrans-61-41.6173.8-64.8174.5000110.6L1396 D1397 A1405 V1419 F1469L1396-I1401 HydrophobicContact CB-CD1 4.21Å; L1396-I1401 HydrophobicContact CB-CG1 3.67Å; L1396-I1401 WeakPolarHBondContact O-CD1 3.35Å; D1397-I1401 WeakPolarHBondContact O-CG1 3.2Å; D1397-I1401 PolarHBondContact O-N 3.12Å; I1401-A1405 WeakPolarHBondContact O-CB 3.42Å; I1401-A1405 PolarHBondContact O-N 3.39Å; I1401-V1419 HydrophobicContact CD1-CG1 4.16Å; I1401-V1419 HydrophobicContact CG1-CG1 4.06Å; I1401-V1419 HydrophobicContact CG1-CG2 4.34Å; I1401-V1419 HydrophobicContact CG2-CG2 4.43Å; I1401-F1469 HydrophobicContact CG2-CD2 4.43Å; I1401-F1469 HydrophobicContact CG2-CE2 3.55Å; I1401-F1469 HydrophobicContact CG2-CZ 3.88Å
1402M78.9Confident74.1Confident115 Ų11548.4 Ų48.457%0.56726%0.263SS*.Hα-helixtrans-67.2-41.6176.1-173.7169.96600112.2P1398 G1399 Q1400 A1405 T1406P1398-M1402 WeakPolarHBondContact O-CB 3.32Å; P1398-M1402 PolarHBondContact O-N 2.93Å; G1399-M1402 PolarHBondContact O-N 2.79Å; Q1400-M1402 VanDerWaalsContact C-N 3.31Å; Q1400-M1402 PolarHBondContact O-N 2.97Å; M1402-A1405 PolarHBondContact O-N 3.4Å; M1402-T1406 PolarHBondContact O-N 3.43Å; M1402-T1406 PolarHBondContact O-OG1 3.25Å
1403Y79.7Confident74.8Confident71 Ų7148.6 Ų48.628%0.27826%0.264SS..Hα-helixtrans-58.9-49.4174.3179.9-102.3000111.3G1399 Q1400 A1405 T1406 A1407 V1436 Y1989G1399-Y1403 WeakPolarHBondContact O-CB 3.43Å; G1399-Y1403 PolarHBondContact O-N 2.88Å; Q1400-Y1403 PolarHBondContact O-N 2.88Å; Y1403-A1405 VanDerWaalsContact C-N 3.32Å; Y1403-A1405 PolarHBondContact O-N 3.01Å; Y1403-T1406 WeakPolarHBondContact CA-OG1 3.27Å; Y1403-T1406 PolarHBondContact O-N 2.81Å; Y1403-T1406 VanDerWaalsContact O-N 3.09Å; Y1403-T1406 PolarHBondContact O-OG1 2.94Å; Y1403-A1407 PolarHBondContact O-N 2.88Å; Y1403-V1436 HydrophobicContact CD1-CG2 4.25Å; Y1403-V1436 HydrophobicContact CE1-CG2 4.22Å; Y1403-Y1989 HydrophobicContact CD1-CD1 4.1Å; Y1403-Y1989 HydrophobicContact CD2-CD1 4.18Å; Y1403-Y1989 AromaticContact CG-CD1 3.86Å; Y1403-Y1989 HydrophobicContact CG-CD1 3.86Å; Y1403-Y1989 PolarHBondContact OH-O 2.74Å
1404A77.3Confident75.3Confident0 Ų051 Ų510%028%0.275CS..Hα-helixtrans-56.3-43.8174.100000112Q1400 T1406 A1407 H1408 A1435 V1436Q1400-A1404 PolarHBondContact O-N 2.93Å; A1404-T1406 VanDerWaalsContact C-N 3.34Å; A1404-T1406 PolarHBondContact O-N 3.32Å; A1404-A1407 PolarHBondContact O-N 2.8Å; A1404-H1408 PolarHBondContact O-CD2 3.37Å; A1404-H1408 PolarHBondContact O-N 3.19Å; A1404-A1435 HydrophobicContact CB-CB 4.25Å; A1404-A1435 WeakPolarHBondContact CB-O 3.49Å; A1404-V1436 HydrophobicContact CB-CG2 4.3Å
1405A77.8Confident75.9Confident3 Ų345.3 Ų45.33%0.02525%0.245CC..Hα-helixtrans-61.8-37.8175.700000113.7I1401 M1402 Y1403 L1410 T1415 F1469I1401-A1405 WeakPolarHBondContact O-CB 3.42Å; I1401-A1405 PolarHBondContact O-N 3.39Å; M1402-A1405 PolarHBondContact O-N 3.4Å; Y1403-A1405 VanDerWaalsContact C-N 3.32Å; Y1403-A1405 PolarHBondContact O-N 3.01Å; A1405-L1410 WeakPolarHBondContact O-CA 3.31Å; A1405-L1410 PolarHBondContact O-N 2.95Å; A1405-T1415 HydrophobicContact CB-CG2 4.32Å; A1405-F1469 HydrophobicContact CB-CE2 3.72Å; A1405-F1469 HydrophobicContact CB-CZ 3.6Å
1406T77.6Confident76.3Confident35 Ų3541.8 Ų41.822%0.21523%0.234CC..Hα-helixtrans-74.7-28174.9570000113.8M1402 Y1403 A1404M1402-T1406 PolarHBondContact O-N 3.43Å; M1402-T1406 PolarHBondContact O-OG1 3.25Å; Y1403-T1406 WeakPolarHBondContact CA-OG1 3.27Å; Y1403-T1406 PolarHBondContact O-N 2.81Å; Y1403-T1406 VanDerWaalsContact O-N 3.09Å; Y1403-T1406 PolarHBondContact O-OG1 2.94Å; A1404-T1406 VanDerWaalsContact C-N 3.34Å; A1404-T1406 PolarHBondContact O-N 3.32Å
1407A73.4Confident76.6Confident42 Ų4247.7 Ų47.735%0.34726%0.262SS..Hα-helixtrans-71.1-38175.300000111.8Y1403 A1404 D1409 V1436Y1403-A1407 PolarHBondContact O-N 2.88Å; A1404-A1407 PolarHBondContact O-N 2.8Å; A1407-D1409 PolarHBondContact O-N 2.8Å; A1407-V1436 HydrophobicContact CB-CG1 3.83Å
1408H73.5Confident76.9Confident21 Ų2145.6 Ų45.610%0.09725%0.25CC..THydrogen-bonded Turntrans-8224175.3-70.7-66.4000114.3A1404 L1410 D1411 T1415 Q1418 A1435 V1436A1404-H1408 PolarHBondContact O-CD2 3.37Å; A1404-H1408 PolarHBondContact O-N 3.19Å; H1408-L1410 PolarHBondContact O-N 2.77Å; H1408-D1411 HydrophobicContact CB-CB 4.48Å; H1408-D1411 WeakPolarHBondContact O-CB 3.34Å; H1408-D1411 PolarHBondContact O-N 2.98Å; H1408-T1415 HydrophobicContact CB-CG2 3.5Å; H1408-Q1418 PolarHBondContact CE1-OE1 2.93Å; H1408-Q1418 PolarHBondContact NE2-OE1 2.84Å; H1408-A1435 PolarHBondContact NE2-O 3.21Å; H1408-A1435 VanDerWaalsContact NE2-O 3.11Å; H1408-V1436 PolarHBondContact CE1-O 2.88Å; H1408-V1436 VanDerWaalsContact CE1-O 3.3Å; H1408-V1436 PolarHBondContact NE2-O 3.3Å
1409D70.7Confident77.1Confident84 Ų8444.2 Ų44.245%0.44924%0.241SC..THydrogen-bonded Turntrans49.234.2178.9-106.55.7000113.3A1407 K1999A1407-D1409 PolarHBondContact O-N 2.8Å; D1409-K1999 PolarHBondContact OD1-N 2.74Å
1410L72.9Confident77.3Confident93 Ų9349.6 Ų49.649%0.48726%0.256SS..THydrogen-bonded Turntrans64.930.4-174.6-56.8170.1000115.7A1405 H1408 L1412 L2000A1405-L1410 WeakPolarHBondContact O-CA 3.31Å; A1405-L1410 PolarHBondContact O-N 2.95Å; H1408-L1410 PolarHBondContact O-N 2.77Å; L1410-L1412 VanDerWaalsContact C-N 3.32Å; L1410-L1412 PolarHBondContact O-N 3.25Å; L1410-L2000 HydrophobicContact CD1-CD1 4.05Å
1411D73.9Confident77.4Confident60 Ų6053.4 Ų53.432%0.32127%0.272SS..  trans-74.583.5166.5-164.1-25.4000111.2H1408 A1413 K1414 T1415H1408-D1411 HydrophobicContact CB-CB 4.48Å; H1408-D1411 WeakPolarHBondContact O-CB 3.34Å; H1408-D1411 PolarHBondContact O-N 2.98Å; D1411-A1413 PolarHBondContact O-N 3.04Å; D1411-A1413 PolarHBondContact OD1-N 2.91Å; D1411-K1414 HydrophobicContact CB-CB 4.31Å; D1411-K1414 HydrophobicContact CB-CD 4.22Å; D1411-K1414 HydrophobicContact CB-CG 4.4Å; D1411-K1414 PolarHBondContact O-N 2.81Å; D1411-K1414 PolarHBondContact OD1-N 2.8Å; D1411-K1414 WeakPolarHBondContact OD2-CD 3.07Å; D1411-K1414 WeakPolarHBondContact OD2-CE 3.16Å; D1411-K1414 WeakPolarHBondContact OD2-CG 3.47Å; D1411-K1414 IonicContact OD2-NZ 2.83Å; D1411-T1415 WeakPolarHBondContact O-CG2 3.44Å; D1411-T1415 PolarHBondContact O-N 2.96Å; D1411-T1415 PolarHBondContact O-OG1 2.75Å; D1411-T1415 VanDerWaalsContact O-OG1 3.05Å
1412L78.7Confident77Confident31 Ų3153.3 Ų53.316%0.16227%0.272CS..Hα-helixtrans-63.3-22.2-174.1-65160.7000113.2L1410 T1415 V1416 T1466 F1469L1410-L1412 VanDerWaalsContact C-N 3.32Å; L1410-L1412 PolarHBondContact O-N 3.25Å; L1412-T1415 VanDerWaalsContact CA-OG1 3.26Å; L1412-T1415 WeakPolarHBondContact CA-OG1 3.33Å; L1412-T1415 PolarHBondContact O-OG1 3.03Å; L1412-V1416 VanDerWaalsContact O-CG2 3.23Å; L1412-V1416 WeakPolarHBondContact O-CG2 3.31Å; L1412-V1416 PolarHBondContact O-N 2.58Å; L1412-T1466 HydrophobicContact CD1-CG2 4.04Å; L1412-T1466 VanDerWaalsContact CD1-OG1 3.23Å; L1412-T1466 WeakPolarHBondContact CD1-OG1 3.43Å; L1412-F1469 HydrophobicContact CD2-CB 3.84Å; L1412-F1469 HydrophobicContact CD2-CD1 3.61Å; L1412-F1469 HydrophobicContact CD2-CD2 3.83Å; L1412-F1469 HydrophobicContact CD2-CE1 4.09Å; L1412-F1469 HydrophobicContact CD2-CE2 4.29Å; L1412-F1469 HydrophobicContact CD2-CG 3.47Å; L1412-F1469 VanDerWaalsContact CD2-CG 3.47Å; L1412-F1469 HydrophobicContact CD2-CZ 4.41Å
1413A71.7Confident76.8Confident54 Ų5449.7 Ų49.745%0.44625%0.254SS..Hα-helixtrans-75.5-50.6175.800000111.2D1411 Q1417D1411-A1413 PolarHBondContact O-N 3.04Å; D1411-A1413 PolarHBondContact OD1-N 2.91Å; A1413-Q1417 PolarHBondContact O-N 3.23Å
1414K74.8Confident76.7Confident90 Ų9051.9 Ų51.939%0.39128%0.275SS..Hα-helixtrans-61-46.4177.4-69-177.9-172.9170.90111.9D1411 V1416 Q1417 Q1418 E1438D1411-K1414 HydrophobicContact CB-CB 4.31Å; D1411-K1414 HydrophobicContact CB-CD 4.22Å; D1411-K1414 HydrophobicContact CB-CG 4.4Å; D1411-K1414 PolarHBondContact O-N 2.81Å; D1411-K1414 PolarHBondContact OD1-N 2.8Å; D1411-K1414 WeakPolarHBondContact OD2-CD 3.07Å; D1411-K1414 WeakPolarHBondContact OD2-CE 3.16Å; D1411-K1414 WeakPolarHBondContact OD2-CG 3.47Å; D1411-K1414 IonicContact OD2-NZ 2.83Å; K1414-V1416 PolarHBondContact O-N 3.28Å; K1414-Q1417 WeakPolarHBondContact O-CB 3.31Å; K1414-Q1417 PolarHBondContact O-N 2.96Å; K1414-Q1417 VanDerWaalsContact O-N 3.12Å; K1414-Q1418 PolarHBondContact O-N 2.83Å; K1414-E1438 IonicContact NZ-OE1 2.85Å
1415T79.9Confident76.6Confident0 Ų054 Ų540%029%0.286CS..Hα-helixtrans-61-44.8-177.754.30000112.3A1405 H1408 D1411 L1412 Q1417 Q1418 V1419A1405-T1415 HydrophobicContact CB-CG2 4.32Å; H1408-T1415 HydrophobicContact CB-CG2 3.5Å; D1411-T1415 WeakPolarHBondContact O-CG2 3.44Å; D1411-T1415 PolarHBondContact O-N 2.96Å; D1411-T1415 PolarHBondContact O-OG1 2.75Å; D1411-T1415 VanDerWaalsContact O-OG1 3.05Å; L1412-T1415 VanDerWaalsContact CA-OG1 3.26Å; L1412-T1415 WeakPolarHBondContact CA-OG1 3.33Å; L1412-T1415 PolarHBondContact O-OG1 3.03Å; T1415-Q1417 VanDerWaalsContact C-N 3.27Å; T1415-Q1417 PolarHBondContact O-N 2.92Å; T1415-Q1418 PolarHBondContact O-N 2.81Å; T1415-V1419 WeakPolarHBondContact O-CB 3.32Å; T1415-V1419 VanDerWaalsContact O-CG2 3.25Å; T1415-V1419 WeakPolarHBondContact O-CG2 3.34Å; T1415-V1419 PolarHBondContact O-N 3.25Å
1416V80.7Confident76.3Confident20 Ų2063 Ų6312%0.12133%0.325CS..Hα-helixtrans-63.4-33.9176.2170.70000111.8L1412 K1414 K1420 F1469L1412-V1416 VanDerWaalsContact O-CG2 3.23Å; L1412-V1416 WeakPolarHBondContact O-CG2 3.31Å; L1412-V1416 PolarHBondContact O-N 2.58Å; K1414-V1416 PolarHBondContact O-N 3.28Å; V1416-K1420 WeakPolarHBondContact O-CB 3.4Å; V1416-K1420 VanDerWaalsContact O-CG 3.31Å; V1416-K1420 WeakPolarHBondContact O-CG 3.44Å; V1416-K1420 PolarHBondContact O-N 2.89Å; V1416-F1469 HydrophobicContact CG2-CB 3.76Å; V1416-F1469 HydrophobicContact CG2-CD2 4Å; V1416-F1469 HydrophobicContact CG2-CG 4.39Å
1417Q78.6Confident76.1Confident125 Ų12566.7 Ų66.758%0.58434%0.343SS*.Hα-helixtrans-72.4-40.5176-167179.612.300112.2A1413 K1414 T1415 K1421A1413-Q1417 PolarHBondContact O-N 3.23Å; K1414-Q1417 WeakPolarHBondContact O-CB 3.31Å; K1414-Q1417 PolarHBondContact O-N 2.96Å; K1414-Q1417 VanDerWaalsContact O-N 3.12Å; T1415-Q1417 VanDerWaalsContact C-N 3.27Å; T1415-Q1417 PolarHBondContact O-N 2.92Å; Q1417-K1421 PolarHBondContact O-N 2.95Å
1418Q80.1Confident75.8Confident17 Ų1768 Ų688%0.07935%0.348CS..Hα-helixtrans-74.5-39.9178.8-73.1-172.1-7.300113.1H1408 K1414 T1415 K1420 K1421 G1422 A1435 S1437H1408-Q1418 PolarHBondContact CE1-OE1 2.93Å; H1408-Q1418 PolarHBondContact NE2-OE1 2.84Å; K1414-Q1418 PolarHBondContact O-N 2.83Å; T1415-Q1418 PolarHBondContact O-N 2.81Å; Q1418-K1420 VanDerWaalsContact C-N 3.26Å; Q1418-K1420 PolarHBondContact O-N 2.87Å; Q1418-K1421 CarbonylContact O-C 3.58Å; Q1418-K1421 WeakPolarHBondContact O-CA 3.24Å; Q1418-K1421 WeakPolarHBondContact O-CB 3.06Å; Q1418-K1421 PolarHBondContact O-N 2.82Å; Q1418-G1422 PolarHBondContact O-N 2.89Å; Q1418-A1435 PolarHBondContact OE1-O 3.39Å; Q1418-S1437 PolarHBondContact NE2-O 2.83Å; Q1418-S1437 PolarHBondContact OE1-O 2.93Å
1419V81.8Confident75.6Confident3 Ų372.3 Ų72.32%0.01837%0.372CS..Hα-helixtrans-59-39.1172.3170.10000110.9L1396 I1401 T1415 K1421 G1422 D1423L1396-V1419 HydrophobicContact CD1-CG1 4.47Å; L1396-V1419 HydrophobicContact CD2-CG2 4.46Å; I1401-V1419 HydrophobicContact CD1-CG1 4.16Å; I1401-V1419 HydrophobicContact CG1-CG1 4.06Å; I1401-V1419 HydrophobicContact CG1-CG2 4.34Å; I1401-V1419 HydrophobicContact CG2-CG2 4.43Å; T1415-V1419 WeakPolarHBondContact O-CB 3.32Å; T1415-V1419 VanDerWaalsContact O-CG2 3.25Å; T1415-V1419 WeakPolarHBondContact O-CG2 3.34Å; T1415-V1419 PolarHBondContact O-N 3.25Å; V1419-K1421 VanDerWaalsContact C-N 3.3Å; V1419-K1421 PolarHBondContact O-N 3.14Å; V1419-G1422 PolarHBondContact O-N 3.12Å; V1419-D1423 WeakPolarHBondContact O-CB 3.44Å; V1419-D1423 PolarHBondContact O-N 2.97Å
1420K80Confident75.8Confident142 Ų14270.1 Ų70.162%0.61736%0.363SS*.Hα-helixtrans-64.3-29.3173.1-81.5179.6176.4-174.70114V1416 Q1418V1416-K1420 WeakPolarHBondContact O-CB 3.4Å; V1416-K1420 VanDerWaalsContact O-CG 3.31Å; V1416-K1420 WeakPolarHBondContact O-CG 3.44Å; V1416-K1420 PolarHBondContact O-N 2.89Å; Q1418-K1420 VanDerWaalsContact C-N 3.26Å; Q1418-K1420 PolarHBondContact O-N 2.87Å
1421K81Confident76.1Confident114 Ų11466.9 Ų66.950%0.49634%0.344SS..Hα-helixtrans-75.2-46.3171.3-69.5-177.8178.5-175.90110.6Q1417 Q1418 V1419 D1423 T1424 I1434Q1417-K1421 PolarHBondContact O-N 2.95Å; Q1418-K1421 CarbonylContact O-C 3.58Å; Q1418-K1421 WeakPolarHBondContact O-CA 3.24Å; Q1418-K1421 WeakPolarHBondContact O-CB 3.06Å; Q1418-K1421 PolarHBondContact O-N 2.82Å; V1419-K1421 VanDerWaalsContact C-N 3.3Å; V1419-K1421 PolarHBondContact O-N 3.14Å; K1421-D1423 VanDerWaalsContact C-N 3.34Å; K1421-D1423 PolarHBondContact O-N 3.45Å; K1421-T1424 PolarHBondContact O-N 3.36Å; K1421-T1424 PolarHBondContact O-OG1 3Å; K1421-I1434 HydrophobicContact CB-CG2 4.36Å
1422G74.9Confident76.1Confident0 Ų064.6 Ų64.60%033%0.333CS..Hα-helixtrans-55-45.5176.500000112.9Q1418 V1419 T1424 I1425 R1431Q1418-G1422 PolarHBondContact O-N 2.89Å; V1419-G1422 PolarHBondContact O-N 3.12Å; G1422-T1424 PolarHBondContact O-N 3.39Å; G1422-I1425 PolarHBondContact O-N 3.24Å; G1422-R1431 WeakPolarHBondContact O-CD 3.21Å; G1422-R1431 VanDerWaalsContact O-CG 3.3Å; G1422-R1431 WeakPolarHBondContact O-CG 3.5Å
1423D74.5Confident76Confident39 Ų3967 Ų6721%0.20935%0.346CS..THydrogen-bonded Turntrans-57.9-10.8176.7-78.7-23.9000114.8L1396 V1419 K1421 K1472L1396-D1423 WeakPolarHBondContact CD1-OD1 3.35Å; L1396-D1423 PolarHBondContact N-OD1 3.29Å; V1419-D1423 WeakPolarHBondContact O-CB 3.44Å; V1419-D1423 PolarHBondContact O-N 2.97Å; K1421-D1423 VanDerWaalsContact C-N 3.34Å; K1421-D1423 PolarHBondContact O-N 3.45Å; D1423-K1472 VanDerWaalsContact OD2-CE 3.27Å; D1423-K1472 WeakPolarHBondContact OD2-CE 3.27Å; D1423-K1472 IonicContact OD2-NZ 2.94Å; D1423-K1472 PolarHBondContact OD2-NZ 3.19Å
1424T76.3Confident76.2Confident117 Ų11767.3 Ų67.372%0.71834%0.34SS*.THydrogen-bonded Turntrans-91.8-8.3175.265.60000114.1K1421 G1422K1421-T1424 PolarHBondContact O-N 3.36Å; K1421-T1424 PolarHBondContact O-OG1 3Å; G1422-T1424 PolarHBondContact O-N 3.39Å
1425I76.5Confident76.1Confident43 Ų4363 Ų6322%0.22132%0.321CS..  trans-101.4135.1-172.6-58.3169.1000109.6G1422 S1430 R1431 I1434G1422-I1425 PolarHBondContact O-N 3.24Å; I1425-S1430 VanDerWaalsContact CG2-OG 3.28Å; I1425-S1430 WeakPolarHBondContact CG2-OG 3.09Å; I1425-R1431 HydrophobicContact CB-CB 4.26Å; I1425-R1431 HydrophobicContact CG2-CB 4.42Å; I1425-I1434 HydrophobicContact CD1-CB 4.19Å; I1425-I1434 HydrophobicContact CD1-CD1 3.44Å; I1425-I1434 VanDerWaalsContact CD1-CD1 3.44Å; I1425-I1434 HydrophobicContact CD1-CG1 4.39Å; I1425-I1434 HydrophobicContact CD1-CG2 4.14Å
1426K70.9Confident75.8Confident193 Ų19363.4 Ų63.484%0.83932%0.324SS*.SBendtrans-78.3-41.7-178.4-69.2-175.2176.7-178.60113.2
1427D73.2Confident75.3Confident112 Ų11264.5 Ų64.560%0.59933%0.332SS*.SBendtrans-72.3127-177.1-61.1-32.1000110.6D1429 S1430 R1431D1427-D1429 PolarHBondContact O-N 3.12Å; D1427-S1430 WeakPolarHBondContact CB-OG 3.47Å; D1427-S1430 PolarHBondContact O-OG 2.88Å; D1427-R1431 WeakPolarHBondContact O-CB 3.44Å; D1427-R1431 PolarHBondContact O-N 3.2Å
1428P68.1Low74.4Confident70 Ų7064.5 Ų64.546%0.45533%0.332SS..Hα-helixtrans-66-38.2-172.425.3-33.9000112.7R1431 A1432P1428-R1431 WeakPolarHBondContact O-CB 3.5Å; P1428-R1431 PolarHBondContact O-N 2.97Å; P1428-A1432 WeakPolarHBondContact O-CB 3.24Å; P1428-A1432 PolarHBondContact O-N 3.06Å
1429D68.8Low73.1Confident112 Ų11268.4 Ų68.460%0.59936%0.359SS*.Hα-helixtrans-69.8-44.6-175.3-59.2-9000111.4D1427 A1432 L1433D1427-D1429 PolarHBondContact O-N 3.12Å; D1429-A1432 PolarHBondContact O-N 2.89Å; D1429-L1433 WeakPolarHBondContact O-CB 3.39Å; D1429-L1433 PolarHBondContact O-N 2.92Å
1430S75.1Confident71.4Confident37 Ų3777.4 Ų77.426%0.25940%0.401SS..Hα-helixtrans-73.6-32.9177.266.10000111.9I1425 D1427 L1433 I1434I1425-S1430 VanDerWaalsContact CG2-OG 3.28Å; I1425-S1430 WeakPolarHBondContact CG2-OG 3.09Å; D1427-S1430 WeakPolarHBondContact CB-OG 3.47Å; D1427-S1430 PolarHBondContact O-OG 2.88Å; S1430-L1433 PolarHBondContact O-N 2.78Å; S1430-I1434 WeakPolarHBondContact O-CB 3.13Å; S1430-I1434 WeakPolarHBondContact O-CG1 3.38Å; S1430-I1434 PolarHBondContact O-N 3.05Å
1431R77.9Confident69.5Low26 Ų2675.5 Ų75.510%0.09841%0.411CS..Hα-helixtrans-58.1-44.4168.6173.3168.787-162.57.3112.2D1394 R1395 L1396 G1422 I1425 D1427 P1428 A1435D1394-R1431 VanDerWaalsContact C-NH1 3.33Å; D1394-R1431 PolarHBondContact O-NH1 3.21Å; R1395-R1431 PolarHBondContact O-NH2 2.82Å; L1396-R1431 HydrophobicContact CD1-CG 3.54Å; L1396-R1431 HydrophobicContact CG-CG 4.05Å; G1422-R1431 WeakPolarHBondContact O-CD 3.21Å; G1422-R1431 VanDerWaalsContact O-CG 3.3Å; G1422-R1431 WeakPolarHBondContact O-CG 3.5Å; I1425-R1431 HydrophobicContact CB-CB 4.26Å; I1425-R1431 HydrophobicContact CG2-CB 4.42Å; D1427-R1431 WeakPolarHBondContact O-CB 3.44Å; D1427-R1431 PolarHBondContact O-N 3.2Å; P1428-R1431 WeakPolarHBondContact O-CB 3.5Å; P1428-R1431 PolarHBondContact O-N 2.97Å; R1431-A1435 PolarHBondContact O-N 2.89Å
1432A74.7Confident67.4Low11 Ų1182 Ų829%0.09143%0.433CS..Hα-helixtrans-69.5-44.9176.200000111.8P1428 D1429 I1434 A1435 V1436 P1990P1428-A1432 WeakPolarHBondContact O-CB 3.24Å; P1428-A1432 PolarHBondContact O-N 3.06Å; D1429-A1432 PolarHBondContact O-N 2.89Å; A1432-I1434 PolarHBondContact O-N 3.47Å; A1432-A1435 PolarHBondContact O-N 2.88Å; A1432-V1436 WeakPolarHBondContact O-CG2 3.43Å; A1432-P1990 HydrophobicContact CB-CG 4.19Å
1433L75.6Confident65.5Low81 Ų8191.6 Ų91.642%0.42448%0.475SS..Hα-helixtrans-59.2-46.9179.3-171.372.8000112.3D1429 S1430 A1435 V1436 S1437 P1990D1429-L1433 WeakPolarHBondContact O-CB 3.39Å; D1429-L1433 PolarHBondContact O-N 2.92Å; S1430-L1433 PolarHBondContact O-N 2.78Å; L1433-A1435 VanDerWaalsContact C-N 3.26Å; L1433-A1435 PolarHBondContact O-N 3.5Å; L1433-V1436 PolarHBondContact O-N 2.82Å; L1433-S1437 PolarHBondContact O-N 3.39Å; L1433-S1437 PolarHBondContact O-OG 3.49Å; L1433-P1990 HydrophobicContact CD1-CB 4.26Å; L1433-P1990 HydrophobicContact CD1-CG 4.47Å
1434I77.1Confident63.6Low61 Ų6196 Ų9631%0.31351%0.506SS..Hα-helixtrans-70.5-21.4-177.9-76.3164.5000112.8K1421 I1425 S1430 A1432 V1436K1421-I1434 HydrophobicContact CB-CG2 4.36Å; I1425-I1434 HydrophobicContact CD1-CB 4.19Å; I1425-I1434 HydrophobicContact CD1-CD1 3.44Å; I1425-I1434 VanDerWaalsContact CD1-CD1 3.44Å; I1425-I1434 HydrophobicContact CD1-CG1 4.39Å; I1425-I1434 HydrophobicContact CD1-CG2 4.14Å; S1430-I1434 WeakPolarHBondContact O-CB 3.13Å; S1430-I1434 WeakPolarHBondContact O-CG1 3.38Å; S1430-I1434 PolarHBondContact O-N 3.05Å; A1432-I1434 PolarHBondContact O-N 3.47Å; I1434-V1436 PolarHBondContact O-N 2.81Å
1435A72.7Confident61.6Low1 Ų194.4 Ų94.41%0.00851%0.512CS..THydrogen-bonded Turntrans-73.7-12.8170.100000113.5L1396 A1404 H1408 Q1418 R1431 A1432 L1433L1396-A1435 HydrophobicContact CD2-CB 3.62Å; A1404-A1435 HydrophobicContact CB-CB 4.25Å; A1404-A1435 WeakPolarHBondContact CB-O 3.49Å; H1408-A1435 PolarHBondContact NE2-O 3.21Å; H1408-A1435 VanDerWaalsContact NE2-O 3.11Å; Q1418-A1435 PolarHBondContact OE1-O 3.39Å; R1431-A1435 PolarHBondContact O-N 2.89Å; A1432-A1435 PolarHBondContact O-N 2.88Å; L1433-A1435 VanDerWaalsContact C-N 3.26Å; L1433-A1435 PolarHBondContact O-N 3.5Å
1436V73.6Confident59.6Low8 Ų895.8 Ų95.85%0.04854%0.537CS..THydrogen-bonded Turntrans-116.3-25.4-174.2-177.10000112.8Y1403 A1404 A1407 H1408 A1432 L1433 I1434 P1992Y1403-V1436 HydrophobicContact CD1-CG2 4.25Å; Y1403-V1436 HydrophobicContact CE1-CG2 4.22Å; A1404-V1436 HydrophobicContact CB-CG2 4.3Å; A1407-V1436 HydrophobicContact CB-CG1 3.83Å; H1408-V1436 PolarHBondContact CE1-O 2.88Å; H1408-V1436 VanDerWaalsContact CE1-O 3.3Å; H1408-V1436 PolarHBondContact NE2-O 3.3Å; A1432-V1436 WeakPolarHBondContact O-CG2 3.43Å; L1433-V1436 PolarHBondContact O-N 2.82Å; I1434-V1436 PolarHBondContact O-N 2.81Å; V1436-P1992 HydrophobicContact CG1-CG 3.91Å
1437S71Confident57.8Low43 Ų4393.7 Ų93.730%0.30154%0.54SS..SBendtrans-81.9134.7-178.960.80000114.6Q1418 L1433Q1418-S1437 PolarHBondContact NE2-O 2.83Å; Q1418-S1437 PolarHBondContact OE1-O 2.93Å; L1433-S1437 PolarHBondContact O-N 3.39Å; L1433-S1437 PolarHBondContact O-OG 3.49Å
1438E59.7Low55.8Low124 Ų12497 Ų9758%0.57955%0.552SS**PPolyproline II helixtrans-66.9151.4170.2-69.4-161.413100113K1414K1414-E1438 IonicContact NZ-OE1 2.85Å
1439P51.5Low54.1Low100 Ų100102.4 Ų102.465%0.64957%0.571SS**PPolyproline II helixtrans-75.5136.7178.630.7-34.4000112.7
1440E46.9Very low52.4Low192 Ų192102.4 Ų102.490%0.89758%0.576SS**PPolyproline II helixtrans-60.9137.4176.3-61.4-174.7149.500112.8
1441A40.2Very low50.3Low101 Ų101106.1 Ų106.184%0.83559%0.593SS**PPolyproline II helixtrans-71.8131.1177.500000111.7
1442R35.4Very low48Very low250 Ų250108.1 Ų108.194%0.94362%0.621SS**PPolyproline II helixtrans-61.2139.4-178-80.4177.4166.3169.5-6.9112.9
1443K36.3Very low45.9Very low203 Ų203115.8 Ų115.888%0.88366%0.661SS**PPolyproline II helixtrans-66.1148164.5-66.9177.1178.6175.70110.7
1444P33.4Very low44Very low132 Ų132119.2 Ų119.286%0.85768%0.675SS**SBendtrans-83.1141.9-178.833.2-34.5000112.8
1445G34.8Very low42.1Very low83 Ų83123.7 Ų123.786%0.85670%0.699SS**  trans134.7108.5169.200000113.8
1446G34.3Very low40.4Very low72 Ų72133.1 Ų133.174%0.74274%0.743SS**SBendtrans144.366.3173.500000115.7
1447T34.8Very low38.7Very low149 Ų149139.7 Ų139.791%0.91478%0.778SS**  trans45.7135155-7.80000121.6
1448E31.2Very low37.3Very low182 Ų182142.6 Ų142.685%0.8579%0.79SS**  trans-84.4136.1-168.7-58.1162.6150.800114
1449E31.9Very low36.4Very low182 Ų182144.7 Ų144.785%0.8580%0.797SS**  trans-131.7139.3135.9-79.4-158.816600108.9
1450T32.5Very low36Very low112 Ų112146.6 Ų146.669%0.68780%0.802SS**  trans-87.3131.1-164.630.40000113.8R759R759-T1450 PolarHBondContact NH2-O 3.49Å
1451D31.9Very low36.4Very low116 Ų116139.8 Ų139.862%0.6278%0.775SS**  trans-151.8110.8149.4-84.3-33.5000107.2R759R759-D1451 IonicContact CZ-OD1 3.87Å; R759-D1451 IonicContact NE-OD1 3.81Å; R759-D1451 PolarHBondContact NE-OD1 2.83Å; R759-D1451 IonicContact NE-OD2 3.05Å; R759-D1451 IonicContact NH2-OD1 2.98Å; R759-D1451 IonicContact NH2-OD2 3.67Å
1452G28.6Very low37.2Very low68 Ų68141.3 Ų141.370%0.70176%0.763SS**  trans-144.7111.5178.500000110.4
1453D30.7Very low38.7Very low171 Ų171134.8 Ų134.891%0.91475%0.751SS**  trans175.368.1162.6-93.8-20.5000109.3
1454E34.7Very low40.5Very low154 Ų154130.3 Ų130.372%0.7273%0.733SS**  trans-125.1-2179.1-71.2-155.714800116.1H761 E1456H761-E1454 IonicContact CE1-OE1 2.71Å; H761-E1454 PolarHBondContact CE1-OE1 3.37Å; E1454-E1456 PolarHBondContact O-N 3.19Å
1455D37.3Very low42.1Very low155 Ų155125 Ų12583%0.82970%0.699SS**THydrogen-bonded Turntrans-84.5-3.7-165.1-85.4-44.6000117.8
1456E38.2Very low43.9Very low198 Ų198123.5 Ų123.593%0.92567%0.673SS**THydrogen-bonded Turntrans-97.9-14.3-179.4-73-145.213600116.3E1454 N1458E1454-E1456 PolarHBondContact O-N 3.19Å; E1456-N1458 VanDerWaalsContact C-N 3.26Å; E1456-N1458 PolarHBondContact O-N 3.4Å
1457D37.7Very low45.9Very low146 Ų146122.7 Ų122.778%0.78166%0.66SS**  trans-84.411.5-174.2-90.6-19.6000115K1459D1457-K1459 PolarHBondContact O-N 3.12Å
1458N42Very low48Very low104 Ų104120.4 Ų120.456%0.55664%0.637SS**THydrogen-bonded Turntrans-76.330.5-163.1-148.4-10.2000116.5E1456 S1461E1456-N1458 VanDerWaalsContact C-N 3.26Å; E1456-N1458 PolarHBondContact O-N 3.4Å; N1458-S1461 PolarHBondContact OD1-OG 2.81Å
1459K40.9Very low50.4Low168 Ų168113 Ų11373%0.7360%0.602SS**THydrogen-bonded Turntrans-117.9-37.2173.5-78.1-174.3177.2177.20114D1457 S1461 K1462D1457-K1459 PolarHBondContact O-N 3.12Å; K1459-S1461 VanDerWaalsContact C-N 3.32Å; K1459-K1462 PolarHBondContact O-N 3.07Å
1460D42.5Very low52.7Low141 Ų141108 Ų10875%0.75458%0.58SS**THydrogen-bonded Turntrans-77.2-26.5179-69.1-2.1000110.7K1462 V1463D1460-K1462 PolarHBondContact O-N 2.89Å; D1460-V1463 PolarHBondContact O-N 3.36Å
1461S55.7Low55.2Low48 Ų48109.2 Ų109.234%0.33658%0.578SS.*Hα-helixtrans-56.6-28.5171.663.30000114.5N1458 K1459 S1465N1458-S1461 PolarHBondContact OD1-OG 2.81Å; K1459-S1461 VanDerWaalsContact C-N 3.32Å; S1461-S1465 WeakPolarHBondContact O-CB 3.39Å; S1461-S1465 PolarHBondContact O-N 3.35Å; S1461-S1465 PolarHBondContact O-OG 2.92Å
1462K57.5Low57.6Low134 Ų134106.3 Ų106.358%0.58356%0.56SS**Hα-helixtrans-72.3-36.8-175.8-66.9-162.6176.3-164.10113.1K1459 D1460 S1465 T1466K1459-K1462 PolarHBondContact O-N 3.07Å; D1460-K1462 PolarHBondContact O-N 2.89Å; K1462-S1465 WeakPolarHBondContact CA-OG 3.45Å; K1462-S1465 PolarHBondContact O-OG 3.16Å; K1462-S1465 VanDerWaalsContact O-OG 3.13Å; K1462-T1466 WeakPolarHBondContact O-CB 3.37Å; K1462-T1466 PolarHBondContact O-N 3Å; K1462-T1466 PolarHBondContact O-OG1 3Å
1463V66.7Low60.1Low112 Ų112106.2 Ų106.268%0.67954%0.542SS*.Hα-helixtrans-71-41.1177.4-178.20000110.1D1460 T1466 A1467D1460-V1463 PolarHBondContact O-N 3.36Å; V1463-T1466 PolarHBondContact O-N 3.39Å; V1463-A1467 WeakPolarHBondContact O-CB 3.26Å; V1463-A1467 PolarHBondContact O-N 3.08Å
1464E72.6Confident62.6Low110 Ų110102.1 Ų102.151%0.51452%0.52SS..Hα-helixtrans-68.1-41.6178.7-165.5-176.1157.400112.7A1467 K1468E1464-A1467 PolarHBondContact O-N 2.83Å; E1464-K1468 HydrophobicContact CG-CD 4.34Å; E1464-K1468 WeakPolarHBondContact O-CB 3.21Å; E1464-K1468 WeakPolarHBondContact O-CG 3.41Å; E1464-K1468 PolarHBondContact O-N 2.91Å; E1464-K1468 WeakPolarHBondContact OE1-CE 3.3Å; E1464-K1468 IonicContact OE1-NZ 2.75Å; E1464-K1468 PolarHBondContact OE1-NZ 2.88Å
1465S67.5Low64.9Low19 Ų1996.3 Ų96.313%0.13350%0.498CS..Hα-helixtrans-65.2-38.7173.749.60000112.3S1461 K1462 K1468 F1469S1461-S1465 WeakPolarHBondContact O-CB 3.39Å; S1461-S1465 PolarHBondContact O-N 3.35Å; S1461-S1465 PolarHBondContact O-OG 2.92Å; K1462-S1465 WeakPolarHBondContact CA-OG 3.45Å; K1462-S1465 PolarHBondContact O-OG 3.16Å; K1462-S1465 VanDerWaalsContact O-OG 3.13Å; S1465-K1468 PolarHBondContact O-N 3.26Å; S1465-F1469 WeakPolarHBondContact O-CB 3.38Å; S1465-F1469 PolarHBondContact O-N 2.91Å
1466T72.3Confident67Low52 Ų5289.1 Ų89.132%0.31946%0.46SS..Hα-helixtrans-60.9-46.7172.3-54.40000111.8L1412 K1462 V1463 K1468 F1469 I1470L1412-T1466 HydrophobicContact CD1-CG2 4.04Å; L1412-T1466 VanDerWaalsContact CD1-OG1 3.23Å; L1412-T1466 WeakPolarHBondContact CD1-OG1 3.43Å; K1462-T1466 WeakPolarHBondContact O-CB 3.37Å; K1462-T1466 PolarHBondContact O-N 3Å; K1462-T1466 PolarHBondContact O-OG1 3Å; V1463-T1466 PolarHBondContact O-N 3.39Å; T1466-K1468 PolarHBondContact O-N 3.17Å; T1466-F1469 PolarHBondContact O-N 2.92Å; T1466-I1470 HydrophobicContact CG2-CD1 3.93Å; T1466-I1470 WeakPolarHBondContact O-CG1 3.4Å; T1466-I1470 PolarHBondContact O-N 3.08Å
1467A76Confident69.1Low56 Ų5681.8 Ų81.846%0.46343%0.433SS..Hα-helixtrans-62.3-42.7177.500000112.1V1463 E1464 I1470 Q1471V1463-A1467 WeakPolarHBondContact O-CB 3.26Å; V1463-A1467 PolarHBondContact O-N 3.08Å; E1464-A1467 PolarHBondContact O-N 2.83Å; A1467-I1470 PolarHBondContact O-N 3.23Å; A1467-Q1471 VanDerWaalsContact O-CB 3.3Å; A1467-Q1471 WeakPolarHBondContact O-CB 3.42Å; A1467-Q1471 PolarHBondContact O-N 3.36Å
1468K80.1Confident71.4Confident101 Ų10177.5 Ų77.544%0.43941%0.41SS..Hα-helixtrans-64-38.9175.7-75.2171.9-179.9169.50112.6E1464 S1465 T1466 K1472E1464-K1468 HydrophobicContact CG-CD 4.34Å; E1464-K1468 WeakPolarHBondContact O-CB 3.21Å; E1464-K1468 WeakPolarHBondContact O-CG 3.41Å; E1464-K1468 PolarHBondContact O-N 2.91Å; E1464-K1468 WeakPolarHBondContact OE1-CE 3.3Å; E1464-K1468 IonicContact OE1-NZ 2.75Å; E1464-K1468 PolarHBondContact OE1-NZ 2.88Å; S1465-K1468 PolarHBondContact O-N 3.26Å; T1466-K1468 PolarHBondContact O-N 3.17Å; K1468-K1472 WeakPolarHBondContact O-CB 3.36Å; K1468-K1472 PolarHBondContact O-N 2.82Å
1469F81.9Confident73.4Confident25 Ų2572.9 Ų72.911%0.1139%0.385CS..Hα-helixtrans-64.2-50.4174.9178.8-94.1000111.6I1401 A1405 L1412 V1416 S1465 T1466 Q1471 K1472 M1473I1401-F1469 HydrophobicContact CG2-CD2 4.43Å; I1401-F1469 HydrophobicContact CG2-CE2 3.55Å; I1401-F1469 HydrophobicContact CG2-CZ 3.88Å; A1405-F1469 HydrophobicContact CB-CE2 3.72Å; A1405-F1469 HydrophobicContact CB-CZ 3.6Å; L1412-F1469 HydrophobicContact CD2-CB 3.84Å; L1412-F1469 HydrophobicContact CD2-CD1 3.61Å; L1412-F1469 HydrophobicContact CD2-CD2 3.83Å; L1412-F1469 HydrophobicContact CD2-CE1 4.09Å; L1412-F1469 HydrophobicContact CD2-CE2 4.29Å; L1412-F1469 HydrophobicContact CD2-CG 3.47Å; L1412-F1469 VanDerWaalsContact CD2-CG 3.47Å; L1412-F1469 HydrophobicContact CD2-CZ 4.41Å; V1416-F1469 HydrophobicContact CG2-CB 3.76Å; V1416-F1469 HydrophobicContact CG2-CD2 4Å; V1416-F1469 HydrophobicContact CG2-CG 4.39Å; S1465-F1469 WeakPolarHBondContact O-CB 3.38Å; S1465-F1469 PolarHBondContact O-N 2.91Å; T1466-F1469 PolarHBondContact O-N 2.92Å; F1469-Q1471 VanDerWaalsContact C-N 3.33Å; F1469-Q1471 PolarHBondContact O-N 3.27Å; F1469-K1472 PolarHBondContact O-N 3.34Å; F1469-K1472 VanDerWaalsContact O-N 3.16Å; F1469-M1473 HydrophobicContact CE1-SD 4.44Å; F1469-M1473 PolarHBondContact O-N 2.93Å
1470I80.4Confident75.4Confident77 Ų7767.7 Ų67.740%0.39537%0.365SS..Hα-helixtrans-60-43.4177.7-67.7170000110.7T1466 A1467 K1472 M1473 I1474T1466-I1470 HydrophobicContact CG2-CD1 3.93Å; T1466-I1470 WeakPolarHBondContact O-CG1 3.4Å; T1466-I1470 PolarHBondContact O-N 3.08Å; A1467-I1470 PolarHBondContact O-N 3.23Å; I1470-K1472 VanDerWaalsContact C-N 3.34Å; I1470-K1472 PolarHBondContact O-N 3.14Å; I1470-M1473 PolarHBondContact O-N 2.95Å; I1470-I1474 HydrophobicContact CG2-CD1 3.69Å; I1470-I1474 HydrophobicContact CG2-CG1 4.34Å; I1470-I1474 WeakPolarHBondContact O-CG1 3.49Å; I1470-I1474 PolarHBondContact O-N 3.25Å
1471Q83.1Confident77.4Confident138 Ų13863.6 Ų63.665%0.64535%0.347SS*.Hα-helixtrans-59.6-42.5176.2-174.4-1773.700112.1A1467 F1469 A1475A1467-Q1471 VanDerWaalsContact O-CB 3.3Å; A1467-Q1471 WeakPolarHBondContact O-CB 3.42Å; A1467-Q1471 PolarHBondContact O-N 3.36Å; F1469-Q1471 VanDerWaalsContact C-N 3.33Å; F1469-Q1471 PolarHBondContact O-N 3.27Å; Q1471-A1475 WeakPolarHBondContact O-CB 3.5Å; Q1471-A1475 PolarHBondContact O-N 3.17Å
1472K82.5Confident78.9Confident55 Ų5561.3 Ų61.324%0.23933%0.331CS..Hα-helixtrans-67.8-39.7177.2178.961.5176.3177.80112.1D1423 K1468 F1469 I1470 A1475 S1476D1423-K1472 VanDerWaalsContact OD2-CE 3.27Å; D1423-K1472 WeakPolarHBondContact OD2-CE 3.27Å; D1423-K1472 IonicContact OD2-NZ 2.94Å; D1423-K1472 PolarHBondContact OD2-NZ 3.19Å; K1468-K1472 WeakPolarHBondContact O-CB 3.36Å; K1468-K1472 PolarHBondContact O-N 2.82Å; F1469-K1472 PolarHBondContact O-N 3.34Å; F1469-K1472 VanDerWaalsContact O-N 3.16Å; I1470-K1472 VanDerWaalsContact C-N 3.34Å; I1470-K1472 PolarHBondContact O-N 3.14Å; K1472-A1475 PolarHBondContact O-N 3.14Å; K1472-S1476 WeakPolarHBondContact O-CB 3.29Å; K1472-S1476 PolarHBondContact O-N 2.96Å
1473M82.4Confident80Confident66 Ų6656.2 Ų56.233%0.32531%0.311SS..Hα-helixtrans-64.6-46.2176.5-173.1-177.172.800111.9F1469 I1470 S1476 A1477F1469-M1473 HydrophobicContact CE1-SD 4.44Å; F1469-M1473 PolarHBondContact O-N 2.93Å; I1470-M1473 PolarHBondContact O-N 2.95Å; M1473-S1476 WeakPolarHBondContact O-CB 3.28Å; M1473-S1476 PolarHBondContact O-N 2.6Å; M1473-A1477 PolarHBondContact O-N 2.76Å
1474I82.9Confident80.6Confident86 Ų8654.5 Ų54.544%0.44130%0.301SS..Hα-helixtrans-64-42.5176.4-67.5170.9000110.7I1470 S1476 A1477 L1478I1470-I1474 HydrophobicContact CG2-CD1 3.69Å; I1470-I1474 HydrophobicContact CG2-CG1 4.34Å; I1470-I1474 WeakPolarHBondContact O-CG1 3.49Å; I1470-I1474 PolarHBondContact O-N 3.25Å; I1474-S1476 VanDerWaalsContact C-N 3.33Å; I1474-S1476 PolarHBondContact O-N 3.03Å; I1474-A1477 PolarHBondContact O-N 2.77Å; I1474-L1478 HydrophobicContact CG2-CD1 3.8Å; I1474-L1478 HydrophobicContact CG2-CG 4.18Å; I1474-L1478 WeakPolarHBondContact O-CB 3.48Å; I1474-L1478 VanDerWaalsContact O-CG 3.29Å; I1474-L1478 WeakPolarHBondContact O-CG 3.4Å; I1474-L1478 PolarHBondContact O-N 2.99Å
1475A83.1Confident81.1Confident32 Ų3251.1 Ų51.126%0.26429%0.286SS..Hα-helixtrans-62-39.1175.900000112.6Q1471 K1472 D1479Q1471-A1475 WeakPolarHBondContact O-CB 3.5Å; Q1471-A1475 PolarHBondContact O-N 3.17Å; K1472-A1475 PolarHBondContact O-N 3.14Å; A1475-D1479 WeakPolarHBondContact O-CB 3.37Å; A1475-D1479 PolarHBondContact O-N 2.97Å
1476S81.3Confident81.9Confident3 Ų350.5 Ų50.52%0.02128%0.281CS..Hα-helixtrans-62.1-48.7174.5-1760000111.4Y1393 L1396 P1398 K1472 M1473 I1474 D1479 L1480Y1393-S1476 VanDerWaalsContact OH-CA 3.28Å; Y1393-S1476 WeakPolarHBondContact OH-CA 3.41Å; Y1393-S1476 WeakPolarHBondContact OH-CB 3.19Å; Y1393-S1476 PolarHBondContact OH-O 3.29Å; Y1393-S1476 PolarHBondContact OH-OG 3.25Å; L1396-S1476 PolarHBondContact O-OG 3.05Å; L1396-S1476 VanDerWaalsContact O-OG 3.08Å; P1398-S1476 WeakPolarHBondContact CD-OG 3.36Å; K1472-S1476 WeakPolarHBondContact O-CB 3.29Å; K1472-S1476 PolarHBondContact O-N 2.96Å; M1473-S1476 WeakPolarHBondContact O-CB 3.28Å; M1473-S1476 PolarHBondContact O-N 2.6Å; I1474-S1476 VanDerWaalsContact C-N 3.33Å; I1474-S1476 PolarHBondContact O-N 3.03Å; S1476-D1479 PolarHBondContact O-N 3.1Å; S1476-L1480 WeakPolarHBondContact O-CB 3.27Å; S1476-L1480 PolarHBondContact O-N 3.49Å
1477A82.8Confident82.1Confident44 Ų4452.5 Ų52.536%0.36429%0.285SS..Hα-helixtrans-65.7-39.2178.600000113.7P1398 M1473 I1474 C1481P1398-A1477 HydrophobicContact CG-CB 4.12Å; M1473-A1477 PolarHBondContact O-N 2.76Å; I1474-A1477 PolarHBondContact O-N 2.77Å; A1477-C1481 WeakPolarHBondContact O-CB 3.41Å; A1477-C1481 PolarHBondContact O-N 2.9Å
1478L86.3Confident82.1Confident57 Ų5755.3 Ų55.330%0.29829%0.292SS..Hα-helixtrans-66.6-41.5175.6-71.9173.7000111.8I1474 S1482 L1562I1474-L1478 HydrophobicContact CG2-CD1 3.8Å; I1474-L1478 HydrophobicContact CG2-CG 4.18Å; I1474-L1478 WeakPolarHBondContact O-CB 3.48Å; I1474-L1478 VanDerWaalsContact O-CG 3.29Å; I1474-L1478 WeakPolarHBondContact O-CG 3.4Å; I1474-L1478 PolarHBondContact O-N 2.99Å; L1478-S1482 VanDerWaalsContact O-CB 3.28Å; L1478-S1482 WeakPolarHBondContact O-CB 3.16Å; L1478-S1482 PolarHBondContact O-N 3.19Å; L1478-S1482 PolarHBondContact O-OG 3.23Å; L1478-L1562 HydrophobicContact CD2-CD2 3.63Å
1479D83.2Confident82.2Confident6 Ų650.5 Ų50.53%0.03227%0.271CS..Hα-helixtrans-65-45.4176.1-83.1-10.1000110.5Y1393 R1395 A1475 S1476 C1481 S1482 V1483 S1558 R1561Y1393-D1479 HydrophobicContact CE2-CB 4.04Å; R1395-D1479 IonicContact CZ-OD2 3.8Å; R1395-D1479 IonicContact NH1-OD2 3.61Å; R1395-D1479 PolarHBondContact NH1-OD2 3.45Å; R1395-D1479 IonicContact NH2-OD2 3.46Å; A1475-D1479 WeakPolarHBondContact O-CB 3.37Å; A1475-D1479 PolarHBondContact O-N 2.97Å; S1476-D1479 PolarHBondContact O-N 3.1Å; D1479-C1481 PolarHBondContact O-N 3.02Å; D1479-S1482 WeakPolarHBondContact CA-OG 3.46Å; D1479-S1482 PolarHBondContact O-N 2.94Å; D1479-S1482 VanDerWaalsContact O-N 3.13Å; D1479-S1482 PolarHBondContact O-OG 3.09Å; D1479-V1483 WeakPolarHBondContact O-CG2 3.36Å; D1479-V1483 PolarHBondContact O-N 3.27Å; D1479-S1558 WeakPolarHBondContact OD1-CB 3.45Å; D1479-S1558 PolarHBondContact OD1-OG 2.93Å; D1479-S1558 PolarHBondContact OD2-OG 2.83Å; D1479-R1561 IonicContact OD1-CZ 2.69Å; D1479-R1561 IonicContact OD1-NH1 3.13Å; D1479-R1561 PolarHBondContact OD1-NH1 2.8Å; D1479-R1561 IonicContact OD2-NH1 2.64Å; D1479-R1561 PolarHBondContact OD2-NH1 3.47Å; D1479-R1561 VanDerWaalsContact OD2-NH1 3.09Å
1480L83.5Confident82.1Confident59 Ų5951 Ų5131%0.30927%0.272SS..Hα-helixtrans-58.2-46.1175.4-179.963.9000113.1Y1393 S1476 S1482 V1483 T1484Y1393-L1480 HydrophobicContact CD2-CD1 4.48Å; Y1393-L1480 HydrophobicContact CE2-CB 4.35Å; Y1393-L1480 HydrophobicContact CG-CD1 4.24Å; S1476-L1480 WeakPolarHBondContact O-CB 3.27Å; S1476-L1480 PolarHBondContact O-N 3.49Å; L1480-S1482 VanDerWaalsContact C-N 3.33Å; L1480-S1482 PolarHBondContact O-N 3.35Å; L1480-V1483 PolarHBondContact O-N 2.95Å; L1480-T1484 WeakPolarHBondContact O-CG2 3.44Å; L1480-T1484 PolarHBondContact O-N 3.48Å; L1480-T1484 PolarHBondContact O-OG1 3.38Å
1481C84.7Confident82.1Confident55 Ų5550.1 Ų50.137%0.37227%0.267SS..Hα-helixtrans-63.9-38.2174.9-174.70000111.9A1477 D1479 T1484 L1485 L1562A1477-C1481 WeakPolarHBondContact O-CB 3.41Å; A1477-C1481 PolarHBondContact O-N 2.9Å; D1479-C1481 PolarHBondContact O-N 3.02Å; C1481-T1484 WeakPolarHBondContact CA-OG1 3.09Å; C1481-T1484 PolarHBondContact O-OG1 2.94Å; C1481-L1485 PolarHBondContact O-N 3.25Å; C1481-L1485 VanDerWaalsContact O-N 3.12Å; C1481-L1562 HydrophobicContact CB-CD1 4.26Å
1482S86Confident82.1Confident0 Ų044.9 Ų44.90%024%0.242CC..Hα-helixtrans-67.8-38.8177810000112.4L1478 D1479 L1480 N1486 W1553L1478-S1482 VanDerWaalsContact O-CB 3.28Å; L1478-S1482 WeakPolarHBondContact O-CB 3.16Å; L1478-S1482 PolarHBondContact O-N 3.19Å; L1478-S1482 PolarHBondContact O-OG 3.23Å; D1479-S1482 WeakPolarHBondContact CA-OG 3.46Å; D1479-S1482 PolarHBondContact O-N 2.94Å; D1479-S1482 VanDerWaalsContact O-N 3.13Å; D1479-S1482 PolarHBondContact O-OG 3.09Å; L1480-S1482 VanDerWaalsContact C-N 3.33Å; L1480-S1482 PolarHBondContact O-N 3.35Å; S1482-N1486 WeakPolarHBondContact O-CB 3.04Å; S1482-N1486 PolarHBondContact O-N 3.38Å; S1482-W1553 WeakPolarHBondContact OG-CH2 3.5Å; S1482-W1553 WeakPolarHBondContact OG-CZ2 3.39Å
1483V81.3Confident82.2Confident27 Ų2743.9 Ų43.916%0.16424%0.237CC..Hα-helixtrans-66.8-46.4176.9170.90000111T1391 D1479 L1480 N1486 K1487 W1553T1391-V1483 VanDerWaalsContact O-CG1 3.28Å; T1391-V1483 WeakPolarHBondContact O-CG1 3.18Å; D1479-V1483 WeakPolarHBondContact O-CG2 3.36Å; D1479-V1483 PolarHBondContact O-N 3.27Å; L1480-V1483 PolarHBondContact O-N 2.95Å; V1483-N1486 PolarHBondContact O-N 3.31Å; V1483-N1486 VanDerWaalsContact O-N 3.16Å; V1483-K1487 PolarHBondContact O-N 3.41Å; V1483-W1553 HydrophobicContact CG2-CH2 3.79Å; V1483-W1553 HydrophobicContact CG2-CZ3 4.26Å
1484T78.3Confident82.4Confident76 Ų7640.9 Ų40.947%0.46622%0.222SC..Hα-helixtrans-63-45-179.945.20000112.6L1480 C1481 N1486 K1487 L1488L1480-T1484 WeakPolarHBondContact O-CG2 3.44Å; L1480-T1484 PolarHBondContact O-N 3.48Å; L1480-T1484 PolarHBondContact O-OG1 3.38Å; C1481-T1484 WeakPolarHBondContact CA-OG1 3.09Å; C1481-T1484 PolarHBondContact O-OG1 2.94Å; T1484-N1486 VanDerWaalsContact C-N 3.34Å; T1484-N1486 PolarHBondContact O-N 2.95Å; T1484-K1487 PolarHBondContact O-N 3.18Å; T1484-L1488 PolarHBondContact O-N 3.48Å
1485L84.5Confident82.6Confident39 Ų3937.1 Ų37.120%0.20420%0.203CC..Hα-helixtrans-62.2-41171.4-74.6171.5000111.9C1481 K1487 L1488 C1489 L1562 A1565 V1566C1481-L1485 PolarHBondContact O-N 3.25Å; C1481-L1485 VanDerWaalsContact O-N 3.12Å; L1485-K1487 VanDerWaalsContact C-N 3.3Å; L1485-K1487 PolarHBondContact O-N 3.02Å; L1485-L1488 WeakPolarHBondContact O-CB 3.36Å; L1485-L1488 PolarHBondContact O-N 2.96Å; L1485-L1488 VanDerWaalsContact O-N 3.14Å; L1485-C1489 PolarHBondContact O-N 3.49Å; L1485-C1489 PolarHBondContact O-SG 3Å; L1485-L1562 HydrophobicContact CD1-CD1 3.76Å; L1485-A1565 HydrophobicContact CB-CB 3.81Å; L1485-V1566 HydrophobicContact CD1-CG2 3.71Å
1486N83.4Confident82.7Confident7 Ų737.1 Ų37.14%0.03721%0.206CC..Hα-helixtrans-68.1-26.8-178.6-161.829.5000113.1S1482 V1483 T1484 C1489 R1493 W1553 A1565S1482-N1486 WeakPolarHBondContact O-CB 3.04Å; S1482-N1486 PolarHBondContact O-N 3.38Å; V1483-N1486 PolarHBondContact O-N 3.31Å; V1483-N1486 VanDerWaalsContact O-N 3.16Å; T1484-N1486 VanDerWaalsContact C-N 3.34Å; T1484-N1486 PolarHBondContact O-N 2.95Å; N1486-C1489 PolarHBondContact O-N 2.87Å; N1486-R1493 PolarHBondContact ND2-NH1 2.95Å; N1486-R1493 VanDerWaalsContact ND2-NH1 3.1Å; N1486-R1493 WeakPolarHBondContact OD1-CD 3.42Å; N1486-R1493 PolarHBondContact OD1-NE 3.44Å; N1486-W1553 HydrophobicContact CB-CH2 4.43Å; N1486-W1553 HydrophobicContact CB-CZ2 4.01Å; N1486-W1553 VanDerWaalsContact ND2-CD2 3.29Å; N1486-W1553 VanDerWaalsContact ND2-CE2 3.31Å; N1486-A1565 HydrophobicContact CB-CB 4.46Å
1487K76.3Confident83Confident93 Ų9338.5 Ų38.540%0.40421%0.212SC..Hα-helixtrans-63.9-41.2169.8-171170.6-180172.60111.4E1385 V1483 T1484 L1485 C1489E1385-K1487 IonicContact OE1-NZ 2.8Å; E1385-K1487 PolarHBondContact OE1-NZ 3.16Å; E1385-K1487 IonicContact OE2-NZ 3.79Å; V1483-K1487 PolarHBondContact O-N 3.41Å; T1484-K1487 PolarHBondContact O-N 3.18Å; L1485-K1487 VanDerWaalsContact C-N 3.3Å; L1485-K1487 PolarHBondContact O-N 3.02Å; K1487-C1489 VanDerWaalsContact C-N 3.31Å; K1487-C1489 PolarHBondContact O-N 3.32Å
1488L76Confident83.3Confident115 Ų11536.4 Ų36.460%0.60219%0.194SC*.Hα-helixtrans-68.2-27.8176.1-61.7173.5000113.3T1484 L1485T1484-L1488 PolarHBondContact O-N 3.48Å; L1485-L1488 WeakPolarHBondContact O-CB 3.36Å; L1485-L1488 PolarHBondContact O-N 2.96Å; L1485-L1488 VanDerWaalsContact O-N 3.14Å
1489C83.2Confident83.3Confident1 Ų134.3 Ų34.31%0.00718%0.184CC..THydrogen-bonded Turntrans-97.612.1-171.5-53.70000114.6L1485 N1486 K1487 E1491 H1492 R1493 N1568 C1569L1485-C1489 PolarHBondContact O-N 3.49Å; L1485-C1489 PolarHBondContact O-SG 3Å; N1486-C1489 PolarHBondContact O-N 2.87Å; K1487-C1489 VanDerWaalsContact C-N 3.31Å; K1487-C1489 PolarHBondContact O-N 3.32Å; C1489-E1491 PolarHBondContact O-N 2.99Å; C1489-H1492 PolarHBondContact O-N 3.44Å; C1489-R1493 WeakPolarHBondContact O-CB 3.26Å; C1489-R1493 PolarHBondContact O-N 3.09Å; C1489-N1568 HydrophobicContact CB-CB 4.07Å; C1489-C1569 WeakPolarHBondContact SG-CA 3.31Å; C1489-C1569 WeakPolarHBondContact SG-CB 3.5Å; C1489-C1569 PolarHBondContact SG-N 2.89Å
1490R79.8Confident83.5Confident34 Ų3436.7 Ų36.713%0.12820%0.201CC..Hα-helixtrans-51.5-57.5-166.9-173.5176.980.6137-13.9112.8E1310 V1386 D1387 H1492 R1493 Y1494 E1546E1310-R1490 IonicContact OE1-CZ 3.61Å; E1310-R1490 IonicContact OE1-NH2 2.87Å; E1310-R1490 PolarHBondContact OE1-NH2 2.84Å; V1386-R1490 VanDerWaalsContact CG1-NH1 3.29Å; D1387-R1490 IonicContact OD2-NH1 3.1Å; R1490-H1492 PolarHBondContact O-N 2.92Å; R1490-R1493 PolarHBondContact O-N 3.28Å; R1490-Y1494 WeakPolarHBondContact O-CB 3.27Å; R1490-Y1494 PolarHBondContact O-N 3.39Å; R1490-E1546 WeakPolarHBondContact CD-OE1 3.29Å; R1490-E1546 IonicContact CZ-OE1 2.68Å; R1490-E1546 IonicContact NE-OE1 2.97Å; R1490-E1546 IonicContact NH1-OE1 3.28Å; R1490-E1546 PolarHBondContact NH1-OE1 3.5Å; R1490-E1546 IonicContact NH1-OE2 2.95Å
1491E78.6Confident83.7Confident59 Ų5937.9 Ų37.928%0.27620%0.203SC..Hα-helixtrans-55-52.4-177.1-47.3-179.8178.800112.1K1303 L1306 C1489 R1493 Y1494 V1495K1303-E1491 WeakPolarHBondContact CE-OE2 3.33Å; K1303-E1491 IonicContact NZ-OE2 2.81Å; K1303-E1491 PolarHBondContact NZ-OE2 3.38Å; L1306-E1491 HydrophobicContact CD2-CB 3.79Å; L1306-E1491 HydrophobicContact CD2-CG 3.72Å; C1489-E1491 PolarHBondContact O-N 2.99Å; E1491-R1493 PolarHBondContact O-N 2.96Å; E1491-Y1494 PolarHBondContact O-N 3.01Å; E1491-V1495 WeakPolarHBondContact O-CG2 3.32Å; E1491-V1495 PolarHBondContact O-N 3.49Å
1492H84.7Confident83.9Confident28 Ų2835.3 Ų35.313%0.1319%0.186CC..Hα-helixtrans-66.4-40.1-174.4176.4-96.9000111.5C1489 R1490 G1496 N1568 A1572 M1686C1489-H1492 PolarHBondContact O-N 3.44Å; R1490-H1492 PolarHBondContact O-N 2.92Å; H1492-G1496 PolarHBondContact O-N 2.79Å; H1492-N1568 PolarHBondContact ND1-O 3.38Å; H1492-A1572 HydrophobicContact CB-CB 3.66Å; H1492-M1686 WeakPolarHBondContact NE2-CE 3.25Å
1493R85Confident84Confident34 Ų3436.2 Ų36.213%0.12819%0.19CC..Hα-helixtrans-64.1-44.8175.7-179.5-17754.6146.4-10.1111.3N1486 C1489 R1490 E1491 F1497 V1549N1486-R1493 PolarHBondContact ND2-NH1 2.95Å; N1486-R1493 VanDerWaalsContact ND2-NH1 3.1Å; N1486-R1493 WeakPolarHBondContact OD1-CD 3.42Å; N1486-R1493 PolarHBondContact OD1-NE 3.44Å; C1489-R1493 WeakPolarHBondContact O-CB 3.26Å; C1489-R1493 PolarHBondContact O-N 3.09Å; R1490-R1493 PolarHBondContact O-N 3.28Å; E1491-R1493 PolarHBondContact O-N 2.96Å; R1493-F1497 WeakPolarHBondContact O-CB 3.45Å; R1493-F1497 PolarHBondContact O-N 3.49Å; R1493-V1549 HydrophobicContact CG-CG1 3.62Å
1494Y86.3Confident84.3Confident4 Ų438.9 Ų38.92%0.01620%0.2CC..Hα-helixtrans-58.7-57.2176.8171.5-95.6000111L1302 R1490 E1491 G1496 F1497 V1498 V1536 V1542 M1545 E1546L1302-Y1494 HydrophobicContact CD2-CE1 4.42Å; R1490-Y1494 WeakPolarHBondContact O-CB 3.27Å; R1490-Y1494 PolarHBondContact O-N 3.39Å; E1491-Y1494 PolarHBondContact O-N 3.01Å; Y1494-G1496 VanDerWaalsContact C-N 3.32Å; Y1494-G1496 PolarHBondContact O-N 3.26Å; Y1494-F1497 PolarHBondContact O-N 2.76Å; Y1494-V1498 HydrophobicContact CD2-CG2 4.43Å; Y1494-V1498 HydrophobicContact CE1-CG2 4.18Å; Y1494-V1498 HydrophobicContact CE2-CG2 4.12Å; Y1494-V1498 WeakPolarHBondContact O-CG2 3.1Å; Y1494-V1498 PolarHBondContact O-N 3.34Å; Y1494-V1536 WeakPolarHBondContact OH-CG1 3.45Å; Y1494-V1536 VanDerWaalsContact OH-CG2 3.28Å; Y1494-V1536 WeakPolarHBondContact OH-CG2 3.45Å; Y1494-V1542 HydrophobicContact CE2-CG1 4Å; Y1494-V1542 WeakPolarHBondContact OH-CA 3.5Å; Y1494-M1545 HydrophobicContact CD2-CB 4.44Å; Y1494-M1545 HydrophobicContact CE2-CB 3.64Å; Y1494-E1546 HydrophobicContact CD2-CG 3.51Å; Y1494-E1546 HydrophobicContact CE2-CG 3.84Å; Y1494-E1546 HydrophobicContact CG-CG 4.41Å
1495V86.7Confident84.7Confident6 Ų639.8 Ų39.84%0.03620%0.198CC..Hα-helixtrans-59.2-43.1-179.9176.60000111.2L1302 E1491 F1497 V1498 L1499 L1690L1302-V1495 HydrophobicContact CB-CG1 4.49Å; L1302-V1495 HydrophobicContact CB-CG2 3.96Å; L1302-V1495 HydrophobicContact CD1-CG1 4.36Å; E1491-V1495 WeakPolarHBondContact O-CG2 3.32Å; E1491-V1495 PolarHBondContact O-N 3.49Å; V1495-F1497 VanDerWaalsContact C-N 3.35Å; V1495-F1497 PolarHBondContact O-N 3.3Å; V1495-V1498 PolarHBondContact O-N 3.06Å; V1495-L1499 HydrophobicContact CG1-CD1 3.8Å; V1495-L1499 HydrophobicContact CG1-CG 4.3Å; V1495-L1499 WeakPolarHBondContact O-CB 3.28Å; V1495-L1499 VanDerWaalsContact O-CG 3.26Å; V1495-L1499 WeakPolarHBondContact O-CG 3.44Å; V1495-L1499 PolarHBondContact O-N 2.98Å; V1495-L1690 HydrophobicContact CG1-CD2 3.81Å
1496G85.3Confident84.9Confident32 Ų3238 Ų3833%0.3319%0.188SC..Hα-helixtrans-63.8-33.9179.100000114.4H1492 Y1494 S1500H1492-G1496 PolarHBondContact O-N 2.79Å; Y1494-G1496 VanDerWaalsContact C-N 3.32Å; Y1494-G1496 PolarHBondContact O-N 3.26Å; G1496-S1500 WeakPolarHBondContact O-CB 3.31Å; G1496-S1500 PolarHBondContact O-N 3.04Å; G1496-S1500 VanDerWaalsContact O-N 3.13Å
1497F87.3Confident85Confident32 Ų3238.4 Ų38.414%0.1419%0.19CC..Hα-helixtrans-78.3-42.7176.7-179.7-91.3000112.6R1493 Y1494 V1495 L1499 S1500 K1501 M1545 A1548 V1549 D1552R1493-F1497 WeakPolarHBondContact O-CB 3.45Å; R1493-F1497 PolarHBondContact O-N 3.49Å; Y1494-F1497 PolarHBondContact O-N 2.76Å; V1495-F1497 VanDerWaalsContact C-N 3.35Å; V1495-F1497 PolarHBondContact O-N 3.3Å; F1497-L1499 VanDerWaalsContact C-N 3.32Å; F1497-L1499 PolarHBondContact O-N 3.27Å; F1497-S1500 PolarHBondContact O-N 3.05Å; F1497-S1500 PolarHBondContact O-OG 2.69Å; F1497-K1501 HydrophobicContact CD1-CG 4.3Å; F1497-K1501 HydrophobicContact CE1-CG 3.99Å; F1497-K1501 HydrophobicContact CZ-CG 4.2Å; F1497-K1501 WeakPolarHBondContact O-CG 3.16Å; F1497-K1501 PolarHBondContact O-N 3.22Å; F1497-M1545 HydrophobicContact CD1-CE 3.98Å; F1497-M1545 HydrophobicContact CE1-CE 3.95Å; F1497-A1548 HydrophobicContact CE1-CB 4.16Å; F1497-A1548 HydrophobicContact CZ-CB 4.46Å; F1497-V1549 HydrophobicContact CB-CG2 3.5Å; F1497-V1549 HydrophobicContact CD1-CG2 3.3Å; F1497-V1549 HydrophobicContact CD2-CG2 4.17Å; F1497-V1549 HydrophobicContact CE1-CG2 3.97Å; F1497-V1549 HydrophobicContact CG-CG2 3.41Å; F1497-V1549 VanDerWaalsContact CG-CG2 3.41Å; F1497-D1552 HydrophobicContact CE2-CB 3.9Å
1498V88.4Confident85.4Confident0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-57.7-49.1174.1178.90000109.2L1302 Y1494 V1495 S1500 K1501 E1502 L1535 V1536 M1545L1302-V1498 HydrophobicContact CD1-CB 3.91Å; L1302-V1498 HydrophobicContact CD1-CG1 3.64Å; L1302-V1498 HydrophobicContact CD2-CG1 4.25Å; Y1494-V1498 HydrophobicContact CD2-CG2 4.43Å; Y1494-V1498 HydrophobicContact CE1-CG2 4.18Å; Y1494-V1498 HydrophobicContact CE2-CG2 4.12Å; Y1494-V1498 WeakPolarHBondContact O-CG2 3.1Å; Y1494-V1498 PolarHBondContact O-N 3.34Å; V1495-V1498 PolarHBondContact O-N 3.06Å; V1498-S1500 PolarHBondContact O-N 3.43Å; V1498-K1501 PolarHBondContact O-N 3.09Å; V1498-E1502 HydrophobicContact CG1-CG 4.27Å; V1498-E1502 WeakPolarHBondContact O-CG 3.34Å; V1498-E1502 PolarHBondContact O-N 2.97Å; V1498-L1535 HydrophobicContact CG1-CB 4.29Å; V1498-V1536 HydrophobicContact CG1-CG2 4.07Å; V1498-V1536 HydrophobicContact CG2-CG2 4.2Å; V1498-M1545 HydrophobicContact CB-CE 4.34Å; V1498-M1545 HydrophobicContact CG2-CB 4.28Å; V1498-M1545 HydrophobicContact CG2-CE 3.75Å
1499L87.4Confident85.7Confident14 Ų1435.3 Ų35.37%0.07320%0.198CC..Hα-helixtrans-61.5-36.4177.4-71.8174.9000113.5R1298 V1495 F1497 K1503 L1690R1298-L1499 HydrophobicContact CB-CD2 3.92Å; R1298-L1499 HydrophobicContact CG-CD2 3.98Å; V1495-L1499 HydrophobicContact CG1-CD1 3.8Å; V1495-L1499 HydrophobicContact CG1-CG 4.3Å; V1495-L1499 WeakPolarHBondContact O-CB 3.28Å; V1495-L1499 VanDerWaalsContact O-CG 3.26Å; V1495-L1499 WeakPolarHBondContact O-CG 3.44Å; V1495-L1499 PolarHBondContact O-N 2.98Å; F1497-L1499 VanDerWaalsContact C-N 3.32Å; F1497-L1499 PolarHBondContact O-N 3.27Å; L1499-K1503 WeakPolarHBondContact O-CB 3.42Å; L1499-K1503 VanDerWaalsContact O-CG 3.26Å; L1499-K1503 WeakPolarHBondContact O-CG 3.48Å; L1499-K1503 PolarHBondContact O-N 2.87Å; L1499-L1690 HydrophobicContact CD1-CD2 4.28Å
1500S86.4Confident85.6Confident56 Ų5638 Ų3839%0.39221%0.21SC..Hα-helixtrans-70.1-34.2177.873.90000112.3G1496 F1497 V1498 Q1504G1496-S1500 WeakPolarHBondContact O-CB 3.31Å; G1496-S1500 PolarHBondContact O-N 3.04Å; G1496-S1500 VanDerWaalsContact O-N 3.13Å; F1497-S1500 PolarHBondContact O-N 3.05Å; F1497-S1500 PolarHBondContact O-OG 2.69Å; V1498-S1500 PolarHBondContact O-N 3.43Å; S1500-Q1504 WeakPolarHBondContact O-CB 3.46Å; S1500-Q1504 PolarHBondContact O-N 3.14Å
1501K88.6Confident85.7Confident83 Ų8339.4 Ų39.436%0.36123%0.225SC..Hα-helixtrans-71.1-41.3172.5-67.5-62-176.9-174.20112.7F1497 V1498 Q1504 K1505 L1535F1497-K1501 HydrophobicContact CD1-CG 4.3Å; F1497-K1501 HydrophobicContact CE1-CG 3.99Å; F1497-K1501 HydrophobicContact CZ-CG 4.2Å; F1497-K1501 WeakPolarHBondContact O-CG 3.16Å; F1497-K1501 PolarHBondContact O-N 3.22Å; V1498-K1501 PolarHBondContact O-N 3.09Å; K1501-Q1504 PolarHBondContact O-N 3.46Å; K1501-K1505 WeakPolarHBondContact O-CB 3.36Å; K1501-K1505 PolarHBondContact O-N 3.19Å; K1501-L1535 HydrophobicContact CB-CD1 3.46Å; K1501-L1535 VanDerWaalsContact CB-CD1 3.46Å
1502E88.4Confident85.8Confident1 Ų143.5 Ų43.51%0.00524%0.244CC..Hα-helixtrans-64-39.2173.8-65.7-178.7165.400111L1295 R1298 V1498 K1505 L1506 L1533 Q1534 L1535L1295-E1502 HydrophobicContact CD1-CB 4.33Å; R1298-E1502 WeakPolarHBondContact CG-OE2 3.24Å; R1298-E1502 IonicContact CZ-OE1 3.23Å; R1298-E1502 IonicContact NE-OE1 2.71Å; R1298-E1502 PolarHBondContact NE-OE1 2.93Å; R1298-E1502 IonicContact NE-OE2 2.68Å; R1298-E1502 PolarHBondContact NE-OE2 3Å; R1298-E1502 IonicContact NH2-OE1 2.76Å; R1298-E1502 PolarHBondContact NH2-OE1 2.83Å; V1498-E1502 HydrophobicContact CG1-CG 4.27Å; V1498-E1502 WeakPolarHBondContact O-CG 3.34Å; V1498-E1502 PolarHBondContact O-N 2.97Å; E1502-K1505 PolarHBondContact O-N 2.72Å; E1502-L1506 WeakPolarHBondContact O-CB 3.26Å; E1502-L1506 PolarHBondContact O-N 3.38Å; E1502-L1533 WeakPolarHBondContact CG-O 3.26Å; E1502-Q1534 WeakPolarHBondContact OE1-CA 3.23Å; E1502-L1535 HydrophobicContact CG-CD1 3.95Å; E1502-L1535 HydrophobicContact CG-CG 4.24Å; E1502-L1535 PolarHBondContact OE1-N 3.15Å
1503K88.2Confident85.5Confident19 Ų1943.1 Ų43.18%0.08325%0.245CC..Hα-helixtrans-61.5-46.9170.1-79.7177174.9-175.20113E1288 E1292 L1295 L1499 K1505 L1506 K1507E1288-K1503 WeakPolarHBondContact OE1-CD 3.01Å; E1288-K1503 WeakPolarHBondContact OE1-CE 3.24Å; E1288-K1503 IonicContact OE1-NZ 2.61Å; E1288-K1503 PolarHBondContact OE1-NZ 2.81Å; E1292-K1503 IonicContact OE1-NZ 3.21Å; E1292-K1503 PolarHBondContact OE1-NZ 2.86Å; L1295-K1503 HydrophobicContact CD1-CB 4.26Å; L1295-K1503 HydrophobicContact CD1-CG 3.56Å; L1499-K1503 WeakPolarHBondContact O-CB 3.42Å; L1499-K1503 VanDerWaalsContact O-CG 3.26Å; L1499-K1503 WeakPolarHBondContact O-CG 3.48Å; L1499-K1503 PolarHBondContact O-N 2.87Å; K1503-K1505 VanDerWaalsContact C-N 3.28Å; K1503-K1505 PolarHBondContact O-N 3.17Å; K1503-L1506 WeakPolarHBondContact O-CB 3.26Å; K1503-L1506 PolarHBondContact O-N 2.92Å; K1503-L1506 VanDerWaalsContact O-N 3.14Å; K1503-K1507 PolarHBondContact O-N 2.97Å
1504Q87.7Confident85.2Confident83 Ų8341.6 Ų41.639%0.38824%0.239SC..Hα-helixtrans-58.8-42.8178.9-172-178.26.700110.6S1500 K1501 K1507 S1508S1500-Q1504 WeakPolarHBondContact O-CB 3.46Å; S1500-Q1504 PolarHBondContact O-N 3.14Å; K1501-Q1504 PolarHBondContact O-N 3.46Å; Q1504-K1507 PolarHBondContact O-N 3.33Å; Q1504-S1508 PolarHBondContact O-N 3.49Å; Q1504-S1508 PolarHBondContact O-OG 3.24Å
1505K87.6Confident84.8Confident96 Ų9642.1 Ų42.142%0.41724%0.244SC..Hα-helixtrans-66.2-37.2175.4-165.6179.1-177.2-176.90112.6K1501 E1502 K1503 S1508 G1509 S1532 L1533K1501-K1505 WeakPolarHBondContact O-CB 3.36Å; K1501-K1505 PolarHBondContact O-N 3.19Å; E1502-K1505 PolarHBondContact O-N 2.72Å; K1503-K1505 VanDerWaalsContact C-N 3.28Å; K1503-K1505 PolarHBondContact O-N 3.17Å; K1505-S1508 PolarHBondContact O-OG 3.38Å; K1505-G1509 PolarHBondContact O-N 2.7Å; K1505-S1532 PolarHBondContact NZ-O 3.17Å; K1505-L1533 HydrophobicContact CB-CD2 4.24Å; K1505-L1533 HydrophobicContact CD-CD2 3.9Å; K1505-L1533 HydrophobicContact CG-CD2 3.8Å
1506L87.1Confident84.2Confident0 Ų045 Ų450%026%0.259CS..Hα-helixtrans-65.1-44.7173.9178.862.7000111.7I1294 L1295 E1502 K1503 H1510 L1514 V1528 L1533I1294-L1506 HydrophobicContact CB-CD2 4.08Å; I1294-L1506 HydrophobicContact CD1-CD2 4.22Å; I1294-L1506 HydrophobicContact CG2-CD2 3.86Å; L1295-L1506 HydrophobicContact CD1-CD2 4.2Å; L1295-L1506 HydrophobicContact CG-CD2 4.32Å; E1502-L1506 WeakPolarHBondContact O-CB 3.26Å; E1502-L1506 PolarHBondContact O-N 3.38Å; K1503-L1506 WeakPolarHBondContact O-CB 3.26Å; K1503-L1506 PolarHBondContact O-N 2.92Å; K1503-L1506 VanDerWaalsContact O-N 3.14Å; L1506-H1510 HydrophobicContact CD1-CB 4.39Å; L1506-H1510 WeakPolarHBondContact O-CB 3.19Å; L1506-H1510 PolarHBondContact O-N 2.97Å; L1506-L1514 HydrophobicContact CG-CD1 4.42Å; L1506-V1528 HydrophobicContact CD1-CG1 4.06Å; L1506-V1528 HydrophobicContact CD1-CG2 4.27Å; L1506-L1533 HydrophobicContact CB-CD1 4.36Å; L1506-L1533 HydrophobicContact CD1-CD1 3.97Å
1507K86.4Confident83.4Confident16 Ų1645.2 Ų45.27%0.0725%0.254CS..Hα-helixtrans-64.9-43.8177.6-74.7175.5176.9-177.40113D1110 D1113 V1287 E1288 K1503 Q1504 S1511 L1514D1110-K1507 IonicContact OD2-NZ 2.78Å; D1113-K1507 IonicContact OD1-NZ 3.45Å; D1113-K1507 PolarHBondContact OD1-NZ 3.38Å; D1113-K1507 WeakPolarHBondContact OD2-CD 3.3Å; D1113-K1507 IonicContact OD2-NZ 3.97Å; D1113-K1507 PolarHBondContact OD2-NZ 2.75Å; V1287-K1507 HydrophobicContact CG1-CG 4.27Å; E1288-K1507 WeakPolarHBondContact OE2-CE 3.42Å; E1288-K1507 IonicContact OE2-NZ 3.56Å; E1288-K1507 PolarHBondContact OE2-NZ 3.31Å; K1503-K1507 PolarHBondContact O-N 2.97Å; Q1504-K1507 PolarHBondContact O-N 3.33Å; K1507-S1511 WeakPolarHBondContact O-CA 3.3Å; K1507-S1511 WeakPolarHBondContact O-CB 3.4Å; K1507-S1511 PolarHBondContact O-N 2.8Å; K1507-S1511 VanDerWaalsContact O-N 3.16Å; K1507-L1514 HydrophobicContact CG-CD1 4.2Å
1508S84.3Confident82.7Confident92 Ų9247.4 Ų47.464%0.64327%0.273SS*.Hα-helixtrans-73.1-37179.562.40000113Q1504 K1505Q1504-S1508 PolarHBondContact O-N 3.49Å; Q1504-S1508 PolarHBondContact O-OG 3.24Å; K1505-S1508 PolarHBondContact O-OG 3.38Å
1509G81.8Confident81.9Confident52 Ų5254 Ų5454%0.53630%0.298SS..Hα-helixtrans-79.3-24.1-18000000114.9K1505K1505-G1509 PolarHBondContact O-N 2.7Å
1510H82.7Confident80.9Confident58 Ų5857.9 Ų57.927%0.26931%0.314SS..SBendtrans-136.529.5-171.1-60.789.5000113.6L1506 E1512 S1513 L1514L1506-H1510 HydrophobicContact CD1-CB 4.39Å; L1506-H1510 WeakPolarHBondContact O-CB 3.19Å; L1506-H1510 PolarHBondContact O-N 2.97Å; H1510-E1512 VanDerWaalsContact C-N 3.35Å; H1510-E1512 PolarHBondContact O-N 2.85Å; H1510-S1513 WeakPolarHBondContact O-CB 3.38Å; H1510-S1513 PolarHBondContact O-N 3.05Å; H1510-L1514 WeakPolarHBondContact O-CG 3.19Å; H1510-L1514 PolarHBondContact O-N 2.9Å
1511S80Confident80.3Confident62 Ų6256 Ų5643%0.43430%0.3SS..Hα-helixtrans-50.2-48.4-178.255.50000113.4K1507 S1513 L1514 S1515K1507-S1511 WeakPolarHBondContact O-CA 3.3Å; K1507-S1511 WeakPolarHBondContact O-CB 3.4Å; K1507-S1511 PolarHBondContact O-N 2.8Å; K1507-S1511 VanDerWaalsContact O-N 3.16Å; S1511-S1513 PolarHBondContact O-N 2.74Å; S1511-L1514 PolarHBondContact O-N 3.45Å; S1511-S1515 PolarHBondContact O-N 3.31Å; S1511-S1515 PolarHBondContact O-OG 2.89Å
1512E80.9Confident79.6Confident145 Ų14556.2 Ų56.268%0.67831%0.308SS*.Hα-helixtrans-65-36.1177.4-63.3-171.5160.300113.2H1510 L1514 S1515 N1516H1510-E1512 VanDerWaalsContact C-N 3.35Å; H1510-E1512 PolarHBondContact O-N 2.85Å; E1512-L1514 VanDerWaalsContact C-N 3.34Å; E1512-S1515 WeakPolarHBondContact CA-OG 3.26Å; E1512-S1515 PolarHBondContact O-OG 3.25Å; E1512-S1515 VanDerWaalsContact O-OG 3.11Å; E1512-N1516 WeakPolarHBondContact O-CB 3.44Å; E1512-N1516 PolarHBondContact O-N 3.48Å
1513S79Confident79.1Confident21 Ų2159.7 Ų59.715%0.14733%0.327CS..Hα-helixtrans-70.5-34.5177-1640000111.3H1510 S1511 I1524H1510-S1513 WeakPolarHBondContact O-CB 3.38Å; H1510-S1513 PolarHBondContact O-N 3.05Å; S1511-S1513 PolarHBondContact O-N 2.74Å; S1513-I1524 WeakPolarHBondContact O-CD1 3.35Å
1514L78.8Confident78.5Confident1 Ų158.9 Ų58.91%0.00532%0.323CS..Hα-helixtrans-73.9-37.6176.5-68.5170.8000112.5V1287 R1290 I1294 L1506 K1507 H1510 S1511 E1512V1287-L1514 HydrophobicContact CG1-CB 4.36Å; V1287-L1514 HydrophobicContact CG1-CD1 4.23Å; R1290-L1514 HydrophobicContact CB-CD2 4.41Å; R1290-L1514 WeakPolarHBondContact CD-O 3.18Å; R1290-L1514 PolarHBondContact NE-O 3.1Å; I1294-L1514 HydrophobicContact CD1-CD2 3.64Å; L1506-L1514 HydrophobicContact CG-CD1 4.42Å; K1507-L1514 HydrophobicContact CG-CD1 4.2Å; H1510-L1514 WeakPolarHBondContact O-CG 3.19Å; H1510-L1514 PolarHBondContact O-N 2.9Å; S1511-L1514 PolarHBondContact O-N 3.45Å; E1512-L1514 VanDerWaalsContact C-N 3.34Å
1515S77.2Confident77.9Confident16 Ų1658.9 Ų58.911%0.11232%0.32CS..Hα-helixtrans-74.7-28.5175.664.10000112.8S1511 E1512 T1517S1511-S1515 PolarHBondContact O-N 3.31Å; S1511-S1515 PolarHBondContact O-OG 2.89Å; E1512-S1515 WeakPolarHBondContact CA-OG 3.26Å; E1512-S1515 PolarHBondContact O-OG 3.25Å; E1512-S1515 VanDerWaalsContact O-OG 3.11Å; S1515-T1517 PolarHBondContact O-N 2.74Å; S1515-T1517 PolarHBondContact O-OG1 2.88Å
1516N75Confident77.3Confident67 Ų6759 Ų5936%0.35833%0.332SS..  trans-72.296.4178.5-169.2-13.4000112.5E1512 S1518E1512-N1516 WeakPolarHBondContact O-CB 3.44Å; E1512-N1516 PolarHBondContact O-N 3.48Å; N1516-S1518 PolarHBondContact O-N 2.83Å; N1516-S1518 VanDerWaalsContact OD1-CB 3.32Å; N1516-S1518 WeakPolarHBondContact OD1-CB 3.3Å; N1516-S1518 PolarHBondContact OD1-N 2.98Å; N1516-S1518 PolarHBondContact OD1-OG 3.34Å
1517T68Low76.8Confident35 Ų3562.2 Ų62.222%0.21536%0.359CS..THydrogen-bonded Turntrans-67.4-9.5178.7-55.50000114.4M1170 S1515 R1519M1170-T1517 HydrophobicContact CB-CG2 3.66Å; M1170-T1517 HydrophobicContact CG-CG2 4.35Å; M1170-T1517 HydrophobicContact SD-CG2 3.72Å; M1170-T1517 PolarHBondContact SD-OG1 3.04Å; M1170-T1517 VanDerWaalsContact SD-OG1 3.4Å; S1515-T1517 PolarHBondContact O-N 2.74Å; S1515-T1517 PolarHBondContact O-OG1 2.88Å; T1517-R1519 PolarHBondContact O-N 2.86Å
1518S72.1Confident76.2Confident79 Ų7961.7 Ų61.755%0.55236%0.357SS*.THydrogen-bonded Turntrans-72.2-25.5-178.368.80000114.6N1516N1516-S1518 PolarHBondContact O-N 2.83Å; N1516-S1518 VanDerWaalsContact OD1-CB 3.32Å; N1516-S1518 WeakPolarHBondContact OD1-CB 3.3Å; N1516-S1518 PolarHBondContact OD1-N 2.98Å; N1516-S1518 PolarHBondContact OD1-OG 3.34Å
1519R71.8Confident75.6Confident137 Ų13763 Ų6352%0.51736%0.357SS..SBendtrans-91.9143.8-179.1-64.6-177.6175.2-178-2.2111.5T1517 I1524T1517-R1519 PolarHBondContact O-N 2.86Å; R1519-I1524 HydrophobicContact CB-CD1 4.16Å; R1519-I1524 HydrophobicContact CB-CG1 3.96Å
1520K67.3Low75.1Confident97 Ų9762.9 Ų62.942%0.42234%0.344SS..  trans-68.6147.3171.2-62.2164.5178.1173.10109.6S1172 T1522 D1523 I1524S1172-K1520 WeakPolarHBondContact OG-CG 3.36Å; K1520-T1522 VanDerWaalsContact CB-OG1 3.31Å; K1520-T1522 WeakPolarHBondContact CB-OG1 3.29Å; K1520-T1522 PolarHBondContact O-N 3.4Å; K1520-D1523 HydrophobicContact CB-CB 4.41Å; K1520-D1523 WeakPolarHBondContact CB-OD2 3.45Å; K1520-D1523 PolarHBondContact O-N 2.79Å; K1520-I1524 WeakPolarHBondContact O-CG1 3.28Å; K1520-I1524 PolarHBondContact O-N 3Å
1521L73.8Confident74.6Confident16 Ų1664.1 Ų64.18%0.08436%0.357CS..Hα-helixtrans-64.2-26175.4-83.376.7000112.8V1169 R1290 V1293 D1523 R1525V1169-L1521 HydrophobicContact CG1-CD1 4.08Å; V1169-L1521 HydrophobicContact CG1-CD2 3.64Å; R1290-L1521 HydrophobicContact CB-CD2 4.39Å; R1290-L1521 HydrophobicContact CG-CD2 4.45Å; V1293-L1521 HydrophobicContact CB-CD2 3.86Å; V1293-L1521 HydrophobicContact CG1-CD2 3.81Å; L1521-D1523 VanDerWaalsContact C-N 3.34Å; L1521-R1525 VanDerWaalsContact O-CB 3.26Å; L1521-R1525 WeakPolarHBondContact O-CB 3.33Å; L1521-R1525 PolarHBondContact O-N 3.48Å
1522T73.5Confident74.5Confident87 Ų8764.2 Ų64.253%0.53436%0.358SS..Hα-helixtrans-60.1-46170.544.40000111.2K1520 R1525 S1526K1520-T1522 VanDerWaalsContact CB-OG1 3.31Å; K1520-T1522 WeakPolarHBondContact CB-OG1 3.29Å; K1520-T1522 PolarHBondContact O-N 3.4Å; T1522-R1525 WeakPolarHBondContact O-CB 3.33Å; T1522-R1525 PolarHBondContact O-N 3.22Å; T1522-S1526 PolarHBondContact O-N 3.22Å; T1522-S1526 PolarHBondContact O-OG 3.07Å
1523D77.7Confident74.2Confident74 Ų7457.7 Ų57.740%0.39633%0.328SS..Hα-helixtrans-74.2-36.8-174-44.3-5.4000109.9K1520 L1521 S1526 A1527K1520-D1523 HydrophobicContact CB-CB 4.41Å; K1520-D1523 WeakPolarHBondContact CB-OD2 3.45Å; K1520-D1523 PolarHBondContact O-N 2.79Å; L1521-D1523 VanDerWaalsContact C-N 3.34Å; D1523-S1526 WeakPolarHBondContact CA-OG 3.29Å; D1523-S1526 PolarHBondContact O-N 3.43Å; D1523-S1526 PolarHBondContact O-OG 3.06Å; D1523-A1527 VanDerWaalsContact O-CB 3.26Å; D1523-A1527 WeakPolarHBondContact O-CB 3.5Å; D1523-A1527 PolarHBondContact O-N 3.24Å
1524I76.3Confident74.2Confident2 Ų260 Ų601%0.0134%0.336CS..Hα-helixtrans-61.5-44.9168.6-62.6168000109.9I1294 S1513 R1519 K1520 S1526 A1527 V1528I1294-I1524 HydrophobicContact CD1-CG2 3.9Å; S1513-I1524 WeakPolarHBondContact O-CD1 3.35Å; R1519-I1524 HydrophobicContact CB-CD1 4.16Å; R1519-I1524 HydrophobicContact CB-CG1 3.96Å; K1520-I1524 WeakPolarHBondContact O-CG1 3.28Å; K1520-I1524 PolarHBondContact O-N 3Å; I1524-S1526 VanDerWaalsContact C-N 3.32Å; I1524-S1526 PolarHBondContact O-N 2.78Å; I1524-A1527 PolarHBondContact O-N 2.95Å; I1524-V1528 HydrophobicContact CG2-CG2 4.16Å; I1524-V1528 WeakPolarHBondContact O-CB 3.35Å; I1524-V1528 WeakPolarHBondContact O-CG2 3.43Å; I1524-V1528 PolarHBondContact O-N 3.2Å
1525R75.2Confident74.3Confident84 Ų8463 Ų6332%0.31735%0.351SS..Hα-helixtrans-65.2-31.5179.1-178.9175.1171.9148-6.9113.2I1294 L1521 T1522 L1530I1294-R1525 HydrophobicContact CG2-CB 4.48Å; I1294-R1525 HydrophobicContact CG2-CG 4.48Å; I1294-R1525 PolarHBondContact O-NH1 2.83Å; L1521-R1525 VanDerWaalsContact O-CB 3.26Å; L1521-R1525 WeakPolarHBondContact O-CB 3.33Å; L1521-R1525 PolarHBondContact O-N 3.48Å; T1522-R1525 WeakPolarHBondContact O-CB 3.33Å; T1522-R1525 PolarHBondContact O-N 3.22Å; R1525-L1530 HydrophobicContact CG-CD1 4.03Å
1526S73.6Confident74.5Confident97 Ų9762.2 Ų62.268%0.67835%0.346SS*.Hα-helixtrans-80.6-25.3172.952.20000113.8T1522 D1523 I1524T1522-S1526 PolarHBondContact O-N 3.22Å; T1522-S1526 PolarHBondContact O-OG 3.07Å; D1523-S1526 WeakPolarHBondContact CA-OG 3.29Å; D1523-S1526 PolarHBondContact O-N 3.43Å; D1523-S1526 PolarHBondContact O-OG 3.06Å; I1524-S1526 VanDerWaalsContact C-N 3.32Å; I1524-S1526 PolarHBondContact O-N 2.78Å
1527A76.6Confident74.7Confident68 Ų6864.2 Ų64.256%0.56235%0.354SS*.Hα-helixtrans-84.4-15.3176.600000113.6D1523 I1524D1523-A1527 VanDerWaalsContact O-CB 3.26Å; D1523-A1527 WeakPolarHBondContact O-CB 3.5Å; D1523-A1527 PolarHBondContact O-N 3.24Å; I1524-A1527 PolarHBondContact O-N 2.95Å
1528V73.8Confident75.3Confident6 Ų664.8 Ų64.84%0.03636%0.359CS..SBendtrans-92.7118.3176.41690000109.2L1506 I1524 L1530 L1533L1506-V1528 HydrophobicContact CD1-CG1 4.06Å; L1506-V1528 HydrophobicContact CD1-CG2 4.27Å; I1524-V1528 HydrophobicContact CG2-CG2 4.16Å; I1524-V1528 WeakPolarHBondContact O-CB 3.35Å; I1524-V1528 WeakPolarHBondContact O-CG2 3.43Å; I1524-V1528 PolarHBondContact O-N 3.2Å; V1528-L1530 VanDerWaalsContact C-N 3.27Å; V1528-L1530 PolarHBondContact O-N 3.23Å; V1528-L1533 HydrophobicContact CG1-CD1 3.43Å; V1528-L1533 VanDerWaalsContact CG1-CD1 3.43Å; V1528-L1533 HydrophobicContact CG1-CG 4.38Å
1529D72.4Confident75.4Confident120 Ų12063.3 Ų63.364%0.64235%0.351SS*.  trans-65.482.9174.1-78.9-34.4000111.6P1531 S1532D1529-P1531 VanDerWaalsContact C-N 3.32Å; D1529-S1532 WeakPolarHBondContact O-CB 3.47Å; D1529-S1532 PolarHBondContact O-N 2.73Å; D1529-S1532 PolarHBondContact O-OG 2.9Å
1530L71Confident76Confident49 Ų4962.2 Ų62.226%0.25736%0.356SS..Hα-helixtrans-47.6-43178.9-86.7135.5000113.9R1525 V1528 S1532 L1533 Q1534R1525-L1530 HydrophobicContact CG-CD1 4.03Å; V1528-L1530 VanDerWaalsContact C-N 3.27Å; V1528-L1530 PolarHBondContact O-N 3.23Å; L1530-S1532 VanDerWaalsContact C-N 3.26Å; L1530-S1532 PolarHBondContact O-N 2.95Å; L1530-L1533 PolarHBondContact O-N 2.83Å; L1530-Q1534 WeakPolarHBondContact O-CG 3.16Å; L1530-Q1534 PolarHBondContact O-N 2.79Å
1531P73.4Confident76.8Confident83 Ų8359.7 Ų59.754%0.53935%0.347SS..Hα-helixtrans-59.7-33.1176.9-25.135.8000113.7D1529 L1533 Q1534D1529-P1531 VanDerWaalsContact C-N 3.32Å; P1531-L1533 PolarHBondContact O-N 2.66Å; P1531-Q1534 PolarHBondContact O-N 3.38Å
1532S77.1Confident77.1Confident65 Ų6559 Ų5946%0.45534%0.344SS..Hα-helixtrans-69.8-22177.679.20000112.9K1505 D1529 L1530K1505-S1532 PolarHBondContact NZ-O 3.17Å; D1529-S1532 WeakPolarHBondContact O-CB 3.47Å; D1529-S1532 PolarHBondContact O-N 2.73Å; D1529-S1532 PolarHBondContact O-OG 2.9Å; L1530-S1532 VanDerWaalsContact C-N 3.26Å; L1530-S1532 PolarHBondContact O-N 2.95Å
1533L74.7Confident77.3Confident8 Ų860.2 Ų60.24%0.04234%0.343CS..Hα-helixtrans-86.4-22.7177.2-64.5177.9000112.7E1502 K1505 L1506 V1528 L1530 P1531 L1535E1502-L1533 WeakPolarHBondContact CG-O 3.26Å; K1505-L1533 HydrophobicContact CB-CD2 4.24Å; K1505-L1533 HydrophobicContact CD-CD2 3.9Å; K1505-L1533 HydrophobicContact CG-CD2 3.8Å; L1506-L1533 HydrophobicContact CB-CD1 4.36Å; L1506-L1533 HydrophobicContact CD1-CD1 3.97Å; V1528-L1533 HydrophobicContact CG1-CD1 3.43Å; V1528-L1533 VanDerWaalsContact CG1-CD1 3.43Å; V1528-L1533 HydrophobicContact CG1-CG 4.38Å; L1530-L1533 PolarHBondContact O-N 2.83Å; P1531-L1533 PolarHBondContact O-N 2.66Å; L1533-L1535 PolarHBondContact O-N 3.26Å
1534Q78.2Confident77.7Confident68 Ų6863.7 Ų63.732%0.31835%0.354SS..  trans-66.2128.2-174.2-71.9172.92.600112.4E1502 L1530 P1531E1502-Q1534 WeakPolarHBondContact OE1-CA 3.23Å; L1530-Q1534 WeakPolarHBondContact O-CG 3.16Å; L1530-Q1534 PolarHBondContact O-N 2.79Å; P1531-Q1534 PolarHBondContact O-N 3.38Å
1535L82.2Confident78.2Confident64 Ų6464.6 Ų64.634%0.33536%0.359SS..SBendtrans-93.6-7177-77.3164.7000114.6V1498 K1501 E1502 L1533 M1545V1498-L1535 HydrophobicContact CG1-CB 4.29Å; K1501-L1535 HydrophobicContact CB-CD1 3.46Å; K1501-L1535 VanDerWaalsContact CB-CD1 3.46Å; E1502-L1535 HydrophobicContact CG-CD1 3.95Å; E1502-L1535 HydrophobicContact CG-CG 4.24Å; E1502-L1535 PolarHBondContact OE1-N 3.15Å; L1533-L1535 PolarHBondContact O-N 3.26Å; L1535-M1545 HydrophobicContact CB-CE 4.2Å; L1535-M1545 HydrophobicContact CB-SD 4.44Å; L1535-M1545 HydrophobicContact CD1-CE 3.88Å
1536V81.5Confident78.5Confident0 Ų061.6 Ų61.60%035%0.348CS..  trans-141.7116.7-170.8-177.10000108.9R1298 L1302 Y1494 V1498 D1541 V1542 M1545R1298-V1536 PolarHBondContact NH1-O 2.93Å; R1298-V1536 PolarHBondContact NH2-O 3.44Å; L1302-V1536 HydrophobicContact CD2-CB 3.79Å; L1302-V1536 HydrophobicContact CD2-CG1 4.07Å; L1302-V1536 HydrophobicContact CD2-CG2 4Å; Y1494-V1536 WeakPolarHBondContact OH-CG1 3.45Å; Y1494-V1536 VanDerWaalsContact OH-CG2 3.28Å; Y1494-V1536 WeakPolarHBondContact OH-CG2 3.45Å; V1498-V1536 HydrophobicContact CG1-CG2 4.07Å; V1498-V1536 HydrophobicContact CG2-CG2 4.2Å; V1536-D1541 HydrophobicContact CB-CB 4.37Å; V1536-D1541 HydrophobicContact CG1-CB 4.16Å; V1536-V1542 HydrophobicContact CG1-CG2 3.88Å; V1536-M1545 HydrophobicContact CG2-CG 3.98Å
1537Q77.7Confident78.9Confident110 Ų11060.3 Ų60.351%0.51434%0.337SS..SBendtrans-130.2-33.1174.7-67-176.9-11.400112.1D1541Q1537-D1541 PolarHBondContact N-OD2 2.94Å
1538S80.4Confident79.3Confident46 Ų4658.9 Ų58.932%0.32233%0.325SS..SBendtrans-109.6166.7179.170.30000113N1540 D1541S1538-N1540 VanDerWaalsContact C-N 3.27Å; S1538-N1540 PolarHBondContact O-N 2.98Å; S1538-N1540 PolarHBondContact OG-N 3.17Å; S1538-D1541 WeakPolarHBondContact CB-OD2 3.08Å; S1538-D1541 PolarHBondContact N-OD2 2.95Å; S1538-D1541 PolarHBondContact O-N 3.35Å; S1538-D1541 PolarHBondContact OG-N 2.89Å; S1538-D1541 PolarHBondContact OG-OD2 2.8Å
1539A76.1Confident79.8Confident48 Ų4858.8 Ų58.840%0.39732%0.324SS..Hα-helixtrans-63.7-30.6172.200000113V1542 E1543A1539-V1542 VanDerWaalsContact O-CB 3.3Å; A1539-V1542 WeakPolarHBondContact O-CB 3.26Å; A1539-V1542 PolarHBondContact O-N 3.35Å; A1539-E1543 PolarHBondContact O-N 3.02Å
1540N82.9Confident80.1Confident114 Ų11454 Ų5461%0.6130%0.3SS*.Hα-helixtrans-69.7-32.4176.5-65.9-17.4000111.9S1538 V1542 E1543 K1544S1538-N1540 VanDerWaalsContact C-N 3.27Å; S1538-N1540 PolarHBondContact O-N 2.98Å; S1538-N1540 PolarHBondContact OG-N 3.17Å; N1540-V1542 PolarHBondContact O-N 3.07Å; N1540-E1543 PolarHBondContact O-N 3.16Å; N1540-K1544 WeakPolarHBondContact O-CB 3.36Å; N1540-K1544 PolarHBondContact O-N 2.9Å; N1540-K1544 VanDerWaalsContact O-N 3.1Å
1541D83.9Confident80.7Confident44 Ų4455 Ų5524%0.23531%0.309CS..Hα-helixtrans-66.4-27.7172.9-59.5-50.4000112V1536 Q1537 S1538 M1545V1536-D1541 HydrophobicContact CB-CB 4.37Å; V1536-D1541 HydrophobicContact CG1-CB 4.16Å; Q1537-D1541 PolarHBondContact N-OD2 2.94Å; S1538-D1541 WeakPolarHBondContact CB-OD2 3.08Å; S1538-D1541 PolarHBondContact N-OD2 2.95Å; S1538-D1541 PolarHBondContact O-N 3.35Å; S1538-D1541 PolarHBondContact OG-N 2.89Å; S1538-D1541 PolarHBondContact OG-OD2 2.8Å; D1541-M1545 WeakPolarHBondContact O-CB 3.43Å; D1541-M1545 VanDerWaalsContact O-CG 3.29Å; D1541-M1545 WeakPolarHBondContact O-CG 2.94Å; D1541-M1545 PolarHBondContact O-N 3.03Å
1542V80.2Confident81.1Confident3 Ų354 Ų542%0.01830%0.298CS..Hα-helixtrans-63.1-53.9174.5-175.60000109.8L1306 Y1494 V1536 A1539 N1540 K1544 M1545 E1546L1306-V1542 HydrophobicContact CD1-CG1 4.22Å; Y1494-V1542 HydrophobicContact CE2-CG1 4Å; Y1494-V1542 WeakPolarHBondContact OH-CA 3.5Å; V1536-V1542 HydrophobicContact CG1-CG2 3.88Å; A1539-V1542 VanDerWaalsContact O-CB 3.3Å; A1539-V1542 WeakPolarHBondContact O-CB 3.26Å; A1539-V1542 PolarHBondContact O-N 3.35Å; N1540-V1542 PolarHBondContact O-N 3.07Å; V1542-K1544 VanDerWaalsContact C-N 3.34Å; V1542-K1544 PolarHBondContact O-N 3.34Å; V1542-M1545 CarbonylContact O-C 3.6Å; V1542-M1545 PolarHBondContact O-N 3.39Å; V1542-M1545 VanDerWaalsContact O-N 3.12Å; V1542-E1546 HydrophobicContact CG1-CG 4.38Å; V1542-E1546 WeakPolarHBondContact O-CG 3.37Å; V1542-E1546 PolarHBondContact O-N 3.18Å
1543E79.1Confident81.3Confident112 Ų11252 Ų5252%0.52328%0.281SS..Hα-helixtrans-60.2-42.1179-171.5-175.9169.200112.2A1539 N1540 M1545 E1546 T1547A1539-E1543 PolarHBondContact O-N 3.02Å; N1540-E1543 PolarHBondContact O-N 3.16Å; E1543-M1545 VanDerWaalsContact C-N 3.32Å; E1543-M1545 PolarHBondContact O-N 3.06Å; E1543-E1546 PolarHBondContact O-N 2.83Å; E1543-T1547 WeakPolarHBondContact O-CG2 3.36Å; E1543-T1547 PolarHBondContact O-N 2.96Å; E1543-T1547 PolarHBondContact O-OG1 3.32Å
1544K85.6Confident81.5Confident146 Ų14656.8 Ų56.864%0.63530%0.303SS*.Hα-helixtrans-62.1-36.7175.6-176.7177.9176.6-177.60112.9N1540 V1542 T1547 A1548N1540-K1544 WeakPolarHBondContact O-CB 3.36Å; N1540-K1544 PolarHBondContact O-N 2.9Å; N1540-K1544 VanDerWaalsContact O-N 3.1Å; V1542-K1544 VanDerWaalsContact C-N 3.34Å; V1542-K1544 PolarHBondContact O-N 3.34Å; K1544-T1547 WeakPolarHBondContact CA-OG1 3.18Å; K1544-T1547 PolarHBondContact O-OG1 3.22Å; K1544-A1548 PolarHBondContact O-N 3.13Å
1545M86.2Confident81.7Confident21 Ų2160.9 Ų60.910%0.10332%0.322CS..Hα-helixtrans-80.9-32176.5-71.2-63-71.400112.2Y1494 F1497 V1498 L1535 V1536 D1541 V1542 E1543 A1548 V1549Y1494-M1545 HydrophobicContact CD2-CB 4.44Å; Y1494-M1545 HydrophobicContact CE2-CB 3.64Å; F1497-M1545 HydrophobicContact CD1-CE 3.98Å; F1497-M1545 HydrophobicContact CE1-CE 3.95Å; V1498-M1545 HydrophobicContact CB-CE 4.34Å; V1498-M1545 HydrophobicContact CG2-CB 4.28Å; V1498-M1545 HydrophobicContact CG2-CE 3.75Å; L1535-M1545 HydrophobicContact CB-CE 4.2Å; L1535-M1545 HydrophobicContact CB-SD 4.44Å; L1535-M1545 HydrophobicContact CD1-CE 3.88Å; V1536-M1545 HydrophobicContact CG2-CG 3.98Å; D1541-M1545 WeakPolarHBondContact O-CB 3.43Å; D1541-M1545 VanDerWaalsContact O-CG 3.29Å; D1541-M1545 WeakPolarHBondContact O-CG 2.94Å; D1541-M1545 PolarHBondContact O-N 3.03Å; V1542-M1545 CarbonylContact O-C 3.6Å; V1542-M1545 PolarHBondContact O-N 3.39Å; V1542-M1545 VanDerWaalsContact O-N 3.12Å; E1543-M1545 VanDerWaalsContact C-N 3.32Å; E1543-M1545 PolarHBondContact O-N 3.06Å; M1545-A1548 PolarHBondContact O-N 3.07Å; M1545-V1549 WeakPolarHBondContact O-CB 3.34Å; M1545-V1549 WeakPolarHBondContact O-CG2 3.27Å; M1545-V1549 PolarHBondContact O-N 2.94Å
1546E81.1Confident81.5Confident21 Ų2160.5 Ų60.510%0.09832%0.318CS..Hα-helixtrans-63.5-41.7171.9-75.2-172.9105.600112.1R1490 Y1494 V1542 E1543 V1549 S1550R1490-E1546 WeakPolarHBondContact CD-OE1 3.29Å; R1490-E1546 IonicContact CZ-OE1 2.68Å; R1490-E1546 IonicContact NE-OE1 2.97Å; R1490-E1546 IonicContact NH1-OE1 3.28Å; R1490-E1546 PolarHBondContact NH1-OE1 3.5Å; R1490-E1546 IonicContact NH1-OE2 2.95Å; Y1494-E1546 HydrophobicContact CD2-CG 3.51Å; Y1494-E1546 HydrophobicContact CE2-CG 3.84Å; Y1494-E1546 HydrophobicContact CG-CG 4.41Å; V1542-E1546 HydrophobicContact CG1-CG 4.38Å; V1542-E1546 WeakPolarHBondContact O-CG 3.37Å; V1542-E1546 PolarHBondContact O-N 3.18Å; E1543-E1546 PolarHBondContact O-N 2.83Å; E1546-V1549 WeakPolarHBondContact O-CB 3.23Å; E1546-V1549 PolarHBondContact O-N 3.42Å; E1546-S1550 PolarHBondContact O-N 2.87Å
1547T81.9Confident81.5Confident70 Ų7063.3 Ų63.343%0.42934%0.338SS..Hα-helixtrans-67.8-37.6174.249.30000112.7E1543 K1544 V1549 S1550 V1551E1543-T1547 WeakPolarHBondContact O-CG2 3.36Å; E1543-T1547 PolarHBondContact O-N 2.96Å; E1543-T1547 PolarHBondContact O-OG1 3.32Å; K1544-T1547 WeakPolarHBondContact CA-OG1 3.18Å; K1544-T1547 PolarHBondContact O-OG1 3.22Å; T1547-V1549 VanDerWaalsContact C-N 3.3Å; T1547-V1549 PolarHBondContact O-N 3.32Å; T1547-S1550 PolarHBondContact O-N 3.49Å; T1547-S1550 PolarHBondContact O-OG 3.32Å; T1547-V1551 WeakPolarHBondContact O-CG2 3.34Å; T1547-V1551 PolarHBondContact O-N 3Å
1548A85.9Confident81.4Confident38 Ų3859.5 Ų59.531%0.31432%0.323SS..Hα-helixtrans-62.3-37.8171.400000112.4F1497 K1544 M1545 D1552F1497-A1548 HydrophobicContact CE1-CB 4.16Å; F1497-A1548 HydrophobicContact CZ-CB 4.46Å; K1544-A1548 PolarHBondContact O-N 3.13Å; M1545-A1548 PolarHBondContact O-N 3.07Å; A1548-D1552 PolarHBondContact O-N 3.38Å; A1548-D1552 VanDerWaalsContact O-N 3.12Å
1549V84.4Confident81.3Confident4 Ų460.4 Ų60.42%0.02433%0.333CS..Hα-helixtrans-68.2-36177164.90000112.8R1493 F1497 M1545 E1546 T1547 W1553R1493-V1549 HydrophobicContact CG-CG1 3.62Å; F1497-V1549 HydrophobicContact CB-CG2 3.5Å; F1497-V1549 HydrophobicContact CD1-CG2 3.3Å; F1497-V1549 HydrophobicContact CD2-CG2 4.17Å; F1497-V1549 HydrophobicContact CE1-CG2 3.97Å; F1497-V1549 HydrophobicContact CG-CG2 3.41Å; F1497-V1549 VanDerWaalsContact CG-CG2 3.41Å; M1545-V1549 WeakPolarHBondContact O-CB 3.34Å; M1545-V1549 WeakPolarHBondContact O-CG2 3.27Å; M1545-V1549 PolarHBondContact O-N 2.94Å; E1546-V1549 WeakPolarHBondContact O-CB 3.23Å; E1546-V1549 PolarHBondContact O-N 3.42Å; T1547-V1549 VanDerWaalsContact C-N 3.3Å; T1547-V1549 PolarHBondContact O-N 3.32Å; V1549-W1553 WeakPolarHBondContact O-CB 3.42Å; V1549-W1553 PolarHBondContact O-N 3.08Å
1550S77.7Confident81.5Confident19 Ų1959.5 Ų59.513%0.13332%0.323CS..Hα-helixtrans-69.5-41175.767.50000111.5E1546 T1547 W1553 Q1554E1546-S1550 PolarHBondContact O-N 2.87Å; T1547-S1550 PolarHBondContact O-N 3.49Å; T1547-S1550 PolarHBondContact O-OG 3.32Å; S1550-W1553 PolarHBondContact O-N 3.49Å; S1550-Q1554 WeakPolarHBondContact O-CG 3.1Å; S1550-Q1554 PolarHBondContact O-N 3.33Å
1551V83.7Confident81.6Confident72 Ų7255.9 Ų55.944%0.43630%0.301SS..Hα-helixtrans-64.3-47.1177.6174.20000112.3T1547 W1553 Q1554 Q1555T1547-V1551 WeakPolarHBondContact O-CG2 3.34Å; T1547-V1551 PolarHBondContact O-N 3Å; V1551-W1553 VanDerWaalsContact C-N 3.25Å; V1551-W1553 PolarHBondContact O-N 2.84Å; V1551-Q1554 PolarHBondContact O-N 3.29Å; V1551-Q1555 WeakPolarHBondContact O-CG 3.49Å; V1551-Q1555 PolarHBondContact O-N 3.49Å
1552D81.8Confident81.7Confident61 Ų6155.6 Ų55.633%0.32630%0.299SS..Hα-helixtrans-59.3-35.9176.7173.783.3000112.5F1497 A1548 K1556F1497-D1552 HydrophobicContact CE2-CB 3.9Å; A1548-D1552 PolarHBondContact O-N 3.38Å; A1548-D1552 VanDerWaalsContact O-N 3.12Å; D1552-K1556 VanDerWaalsContact O-CE 3.27Å; D1552-K1556 WeakPolarHBondContact O-CE 3.18Å; D1552-K1556 IonicContact OD1-NZ 2.79Å; D1552-K1556 IonicContact OD2-NZ 3.68Å; D1552-K1556 PolarHBondContact OD2-NZ 3.14Å
1553W82.9Confident81.9Confident22 Ų2260.9 Ų60.98%0.08333%0.327CS..Hα-helixtrans-74-41.5177-179.282.7000112.4S1482 V1483 N1486 V1549 S1550 V1551 Q1555 K1556 R1561S1482-W1553 WeakPolarHBondContact OG-CH2 3.5Å; S1482-W1553 WeakPolarHBondContact OG-CZ2 3.39Å; V1483-W1553 HydrophobicContact CG2-CH2 3.79Å; V1483-W1553 HydrophobicContact CG2-CZ3 4.26Å; N1486-W1553 HydrophobicContact CB-CH2 4.43Å; N1486-W1553 HydrophobicContact CB-CZ2 4.01Å; N1486-W1553 VanDerWaalsContact ND2-CD2 3.29Å; N1486-W1553 VanDerWaalsContact ND2-CE2 3.31Å; V1549-W1553 WeakPolarHBondContact O-CB 3.42Å; V1549-W1553 PolarHBondContact O-N 3.08Å; S1550-W1553 PolarHBondContact O-N 3.49Å; V1551-W1553 VanDerWaalsContact C-N 3.25Å; V1551-W1553 PolarHBondContact O-N 2.84Å; W1553-Q1555 VanDerWaalsContact C-N 3.28Å; W1553-Q1555 PolarHBondContact O-N 3.32Å; W1553-K1556 PolarHBondContact O-N 2.87Å; W1553-R1561 HydrophobicContact CD2-CG 4.37Å; W1553-R1561 HydrophobicContact CZ2-CB 3.81Å; W1553-R1561 HydrophobicContact CZ2-CG 4.3Å; W1553-R1561 PolarHBondContact NE1-O 3.31Å; W1553-R1561 WeakPolarHBondContact O-CG 3.37Å
1554Q78Confident82.2Confident109 Ų10957.7 Ų57.751%0.50931%0.313SS..Hα-helixtrans-62.2-31.1178.2-77.2179.1-2.300113.2S1550 V1551 K1556 R1561S1550-Q1554 WeakPolarHBondContact O-CG 3.1Å; S1550-Q1554 PolarHBondContact O-N 3.33Å; V1551-Q1554 PolarHBondContact O-N 3.29Å; Q1554-K1556 PolarHBondContact O-N 2.91Å; Q1554-R1561 PolarHBondContact O-NE 3.31Å; Q1554-R1561 PolarHBondContact O-NH2 3.12Å
1555Q81.4Confident82.2Confident155 Ų15550.7 Ų50.772%0.72428%0.283SS*.THydrogen-bonded Turntrans-68-15.1179-71.3178.19.100114.5V1551 W1553V1551-Q1555 WeakPolarHBondContact O-CG 3.49Å; V1551-Q1555 PolarHBondContact O-N 3.49Å; W1553-Q1555 VanDerWaalsContact C-N 3.28Å; W1553-Q1555 PolarHBondContact O-N 3.32Å
1556K78.6Confident82.2Confident55 Ų5552.4 Ų52.424%0.23929%0.294CS..SBendtrans-84.5155.4-179-64.8163.3-167.5163.50111.1D1552 W1553 Q1554 T1560 R1561D1552-K1556 VanDerWaalsContact O-CE 3.27Å; D1552-K1556 WeakPolarHBondContact O-CE 3.18Å; D1552-K1556 IonicContact OD1-NZ 2.79Å; D1552-K1556 IonicContact OD2-NZ 3.68Å; D1552-K1556 PolarHBondContact OD2-NZ 3.14Å; W1553-K1556 PolarHBondContact O-N 2.87Å; Q1554-K1556 PolarHBondContact O-N 2.91Å; K1556-T1560 HydrophobicContact CB-CG2 4.38Å; K1556-R1561 HydrophobicContact CB-CG 4.16Å; K1556-R1561 PolarHBondContact O-NE 2.91Å; K1556-R1561 PolarHBondContact O-NH2 3.49Å
1557S81.7Confident82.4Confident60 Ų6055.4 Ų55.442%0.4231%0.314SS..  trans-67.7149.8176.764.50000111.8A1559 T1560 R1561S1557-A1559 VanDerWaalsContact C-N 3.31Å; S1557-A1559 PolarHBondContact O-N 3.25Å; S1557-A1559 VanDerWaalsContact O-N 3.15Å; S1557-T1560 CarbonylContact O-C 3.51Å; S1557-T1560 WeakPolarHBondContact O-CA 3.42Å; S1557-T1560 WeakPolarHBondContact O-CB 3.45Å; S1557-T1560 PolarHBondContact O-N 2.95Å; S1557-T1560 PolarHBondContact OG-OG1 3.31Å; S1557-R1561 PolarHBondContact O-N 3.25Å
1558S76.6Confident82.6Confident29 Ų2953.7 Ų53.720%0.20330%0.302CS..Hα-helixtrans-51.1-42-173.8-58.40000114.7D1479 T1560 R1561 L1562D1479-S1558 WeakPolarHBondContact OD1-CB 3.45Å; D1479-S1558 PolarHBondContact OD1-OG 2.93Å; D1479-S1558 PolarHBondContact OD2-OG 2.83Å; S1558-T1560 PolarHBondContact O-N 2.88Å; S1558-R1561 WeakPolarHBondContact O-CB 3.48Å; S1558-R1561 PolarHBondContact O-N 3.03Å; S1558-L1562 PolarHBondContact O-N 3.09Å
1559A78Confident82.6Confident65 Ų6553.3 Ų53.354%0.53730%0.297SS..Hα-helixtrans-65-38.5174.800000112.6S1557 L1562 L1563S1557-A1559 VanDerWaalsContact C-N 3.31Å; S1557-A1559 PolarHBondContact O-N 3.25Å; S1557-A1559 VanDerWaalsContact O-N 3.15Å; A1559-L1562 PolarHBondContact O-N 3.27Å; A1559-L1563 WeakPolarHBondContact O-CB 3.42Å; A1559-L1563 PolarHBondContact O-N 3.49Å
1560T80.3Confident82.7Confident30 Ų3057.1 Ų57.118%0.18432%0.316CS..Hα-helixtrans-73.2-30.4176.7-46.60000112K1556 S1557 S1558 N1564K1556-T1560 HydrophobicContact CB-CG2 4.38Å; S1557-T1560 CarbonylContact O-C 3.51Å; S1557-T1560 WeakPolarHBondContact O-CA 3.42Å; S1557-T1560 WeakPolarHBondContact O-CB 3.45Å; S1557-T1560 PolarHBondContact O-N 2.95Å; S1557-T1560 PolarHBondContact OG-OG1 3.31Å; S1558-T1560 PolarHBondContact O-N 2.88Å; T1560-N1564 WeakPolarHBondContact O-CB 3.21Å; T1560-N1564 PolarHBondContact O-N 2.91Å; T1560-N1564 PolarHBondContact O-ND2 3.48Å
1561R84.1Confident83Confident38 Ų3856.4 Ų56.414%0.14331%0.312CS..Hα-helixtrans-63.8-47.9170.7-68.8-174.6-159.3144-3.3110.9D1479 W1553 Q1554 K1556 S1557 S1558 N1564 A1565D1479-R1561 IonicContact OD1-CZ 2.69Å; D1479-R1561 IonicContact OD1-NH1 3.13Å; D1479-R1561 PolarHBondContact OD1-NH1 2.8Å; D1479-R1561 IonicContact OD2-NH1 2.64Å; D1479-R1561 PolarHBondContact OD2-NH1 3.47Å; D1479-R1561 VanDerWaalsContact OD2-NH1 3.09Å; W1553-R1561 HydrophobicContact CD2-CG 4.37Å; W1553-R1561 HydrophobicContact CZ2-CB 3.81Å; W1553-R1561 HydrophobicContact CZ2-CG 4.3Å; W1553-R1561 PolarHBondContact NE1-O 3.31Å; W1553-R1561 WeakPolarHBondContact O-CG 3.37Å; Q1554-R1561 PolarHBondContact O-NE 3.31Å; Q1554-R1561 PolarHBondContact O-NH2 3.12Å; K1556-R1561 HydrophobicContact CB-CG 4.16Å; K1556-R1561 PolarHBondContact O-NE 2.91Å; K1556-R1561 PolarHBondContact O-NH2 3.49Å; S1557-R1561 PolarHBondContact O-N 3.25Å; S1558-R1561 WeakPolarHBondContact O-CB 3.48Å; S1558-R1561 PolarHBondContact O-N 3.03Å; R1561-N1564 PolarHBondContact O-N 2.89Å; R1561-A1565 WeakPolarHBondContact O-CB 3.31Å; R1561-A1565 PolarHBondContact O-N 3.31Å
1562L86.8Confident83Confident38 Ų3854.4 Ų54.420%0.19930%0.303CS..Hα-helixtrans-61.5-48.4176.8-178.763.1000111.5L1478 C1481 L1485 S1558 A1559 N1564 A1565 V1566L1478-L1562 HydrophobicContact CD2-CD2 3.63Å; C1481-L1562 HydrophobicContact CB-CD1 4.26Å; L1485-L1562 HydrophobicContact CD1-CD1 3.76Å; S1558-L1562 PolarHBondContact O-N 3.09Å; A1559-L1562 PolarHBondContact O-N 3.27Å; L1562-N1564 PolarHBondContact O-N 2.89Å; L1562-A1565 WeakPolarHBondContact O-CB 3.43Å; L1562-A1565 PolarHBondContact O-N 2.8Å; L1562-A1565 VanDerWaalsContact O-N 3.09Å; L1562-V1566 HydrophobicContact CD1-CG2 4.4Å; L1562-V1566 WeakPolarHBondContact O-CG2 3.26Å; L1562-V1566 PolarHBondContact O-N 2.91Å
1563L84.6Confident83.2Confident113 Ų11355.1 Ų55.159%0.59230%0.304SS*.Hα-helixtrans-59.8-43.4178.6-175.464.2000112.1A1559 V1566 V1567A1559-L1563 WeakPolarHBondContact O-CB 3.42Å; A1559-L1563 PolarHBondContact O-N 3.49Å; L1563-V1566 PolarHBondContact O-N 3.38Å; L1563-V1567 WeakPolarHBondContact O-CG2 3.46Å; L1563-V1567 PolarHBondContact O-N 3.27Å
1564N83.7Confident83.5Confident45 Ų4554.5 Ų54.524%0.24130%0.303CS..Hα-helixtrans-64.6-38.1173.7-82.3-65.1000112.4T1560 R1561 L1562 N1568T1560-N1564 WeakPolarHBondContact O-CB 3.21Å; T1560-N1564 PolarHBondContact O-N 2.91Å; T1560-N1564 PolarHBondContact O-ND2 3.48Å; R1561-N1564 PolarHBondContact O-N 2.89Å; L1562-N1564 PolarHBondContact O-N 2.89Å; N1564-N1568 VanDerWaalsContact O-CB 3.25Å; N1564-N1568 WeakPolarHBondContact O-CB 3.44Å; N1564-N1568 PolarHBondContact O-N 2.88Å; N1564-N1568 PolarHBondContact O-ND2 3.41Å
1565A85.6Confident83.9Confident0 Ų051.7 Ų51.70%029%0.291CS..Hα-helixtrans-64.4-42.5177.200000111.6L1485 N1486 R1561 L1562 N1568 C1569L1485-A1565 HydrophobicContact CB-CB 3.81Å; N1486-A1565 HydrophobicContact CB-CB 4.46Å; R1561-A1565 WeakPolarHBondContact O-CB 3.31Å; R1561-A1565 PolarHBondContact O-N 3.31Å; L1562-A1565 WeakPolarHBondContact O-CB 3.43Å; L1562-A1565 PolarHBondContact O-N 2.8Å; L1562-A1565 VanDerWaalsContact O-N 3.09Å; A1565-N1568 PolarHBondContact O-N 3.42Å; A1565-C1569 WeakPolarHBondContact O-CB 3Å; A1565-C1569 PolarHBondContact O-N 3.26Å
1566V86.7Confident84.1Confident56 Ų5648.7 Ų48.734%0.33928%0.279SS..Hα-helixtrans-63.6-47.6175173.90000111.8L1485 L1562 L1563 N1568 C1569 I1570L1485-V1566 HydrophobicContact CD1-CG2 3.71Å; L1562-V1566 HydrophobicContact CD1-CG2 4.4Å; L1562-V1566 WeakPolarHBondContact O-CG2 3.26Å; L1562-V1566 PolarHBondContact O-N 2.91Å; L1563-V1566 PolarHBondContact O-N 3.38Å; V1566-N1568 VanDerWaalsContact C-N 3.32Å; V1566-N1568 PolarHBondContact O-N 2.82Å; V1566-C1569 WeakPolarHBondContact O-CB 3.48Å; V1566-C1569 PolarHBondContact O-N 2.91Å; V1566-C1569 VanDerWaalsContact O-N 3.14Å; V1566-I1570 HydrophobicContact CG1-CD1 4.01Å; V1566-I1570 WeakPolarHBondContact O-CG1 3.44Å; V1566-I1570 PolarHBondContact O-N 3.41Å
1567V85.5Confident84.5Confident84 Ų8448.8 Ų48.851%0.50928%0.282SS..Hα-helixtrans-63-39.5178.4171.50000111.3L1563 C1569 G1571L1563-V1567 WeakPolarHBondContact O-CG2 3.46Å; L1563-V1567 PolarHBondContact O-N 3.27Å; V1567-C1569 VanDerWaalsContact C-N 3.34Å; V1567-G1571 PolarHBondContact O-N 3.23Å
1568N85.5Confident84.9Confident34 Ų3445.9 Ų45.918%0.18226%0.262CS..Hα-helixtrans-68.3-31.3174.8-73.1-25.5000112.7C1489 H1492 N1564 A1565 V1566 G1571 A1572C1489-N1568 HydrophobicContact CB-CB 4.07Å; H1492-N1568 PolarHBondContact ND1-O 3.38Å; N1564-N1568 VanDerWaalsContact O-CB 3.25Å; N1564-N1568 WeakPolarHBondContact O-CB 3.44Å; N1564-N1568 PolarHBondContact O-N 2.88Å; N1564-N1568 PolarHBondContact O-ND2 3.41Å; A1565-N1568 PolarHBondContact O-N 3.42Å; V1566-N1568 VanDerWaalsContact C-N 3.32Å; V1566-N1568 PolarHBondContact O-N 2.82Å; N1568-G1571 PolarHBondContact O-N 2.99Å; N1568-A1572 VanDerWaalsContact O-CB 3.31Å; N1568-A1572 WeakPolarHBondContact O-CB 3.45Å; N1568-A1572 PolarHBondContact O-N 3.48Å
1569C87.5Confident85.6Confident30 Ų3044.8 Ų44.820%0.20325%0.253CS..Hα-helixtrans-67.5-48.7175.9-1690000111.8C1489 A1565 V1566 V1567 G1571 A1572 H1573C1489-C1569 WeakPolarHBondContact SG-CA 3.31Å; C1489-C1569 WeakPolarHBondContact SG-CB 3.5Å; C1489-C1569 PolarHBondContact SG-N 2.89Å; A1565-C1569 WeakPolarHBondContact O-CB 3Å; A1565-C1569 PolarHBondContact O-N 3.26Å; V1566-C1569 WeakPolarHBondContact O-CB 3.48Å; V1566-C1569 PolarHBondContact O-N 2.91Å; V1566-C1569 VanDerWaalsContact O-N 3.14Å; V1567-C1569 VanDerWaalsContact C-N 3.34Å; C1569-G1571 VanDerWaalsContact C-N 3.27Å; C1569-G1571 PolarHBondContact O-N 2.99Å; C1569-A1572 PolarHBondContact O-N 3.31Å; C1569-A1572 VanDerWaalsContact O-N 3.14Å; C1569-H1573 PolarHBondContact O-N 2.94Å; C1569-H1573 VanDerWaalsContact O-N 3.08Å
1570I86.7Confident86.1Confident84 Ų8445.7 Ų45.743%0.43125%0.245SC..Hα-helixtrans-61.6-38.9175.2-65.3169000110.4V1566 T1574 L1577 F1682V1566-I1570 HydrophobicContact CG1-CD1 4.01Å; V1566-I1570 WeakPolarHBondContact O-CG1 3.44Å; V1566-I1570 PolarHBondContact O-N 3.41Å; I1570-T1574 WeakPolarHBondContact O-CG2 3.38Å; I1570-L1577 HydrophobicContact CG2-CD1 4.03Å; I1570-F1682 HydrophobicContact CG2-CE1 4.14Å
1571G84Confident86.6Confident5 Ų546.4 Ų46.45%0.05225%0.246CC..Hα-helixtrans-66.9-33.5174.500000114.3V1567 N1568 C1569V1567-G1571 PolarHBondContact O-N 3.23Å; N1568-G1571 PolarHBondContact O-N 2.99Å; C1569-G1571 VanDerWaalsContact C-N 3.27Å; C1569-G1571 PolarHBondContact O-N 2.99Å
1572A83.4Confident86.9Confident30 Ų3044.6 Ų44.625%0.24824%0.239CC..Hα-helixtrans-72.9-45179.400000113H1492 N1568 C1569H1492-A1572 HydrophobicContact CB-CB 3.66Å; N1568-A1572 VanDerWaalsContact O-CB 3.31Å; N1568-A1572 WeakPolarHBondContact O-CB 3.45Å; N1568-A1572 PolarHBondContact O-N 3.48Å; C1569-A1572 PolarHBondContact O-N 3.31Å; C1569-A1572 VanDerWaalsContact O-N 3.14Å
1573H85.5Confident87.1Confident76 Ų7643 Ų4335%0.35223%0.23SC..  trans-107.742.9-170.5-64.3-63.5000113.7C1569 D1575 I1576 L1577C1569-H1573 PolarHBondContact O-N 2.94Å; C1569-H1573 VanDerWaalsContact O-N 3.08Å; H1573-D1575 VanDerWaalsContact C-N 3.29Å; H1573-D1575 PolarHBondContact O-N 3.39Å; H1573-I1576 HydrophobicContact CB-CD1 4.31Å; H1573-L1577 PolarHBondContact O-N 2.9Å
1574T88.9Confident87.3Confident8 Ų838.4 Ų38.45%0.04921%0.206CC..Hα-helixtrans-68.5-24-179.546.10000114.2I1570 C1578 F1682 H1683 M1686I1570-T1574 WeakPolarHBondContact O-CG2 3.38Å; T1574-C1578 PolarHBondContact O-N 3.11Å; T1574-C1578 PolarHBondContact O-SG 3.21Å; T1574-F1682 HydrophobicContact CG2-CD1 3.64Å; T1574-F1682 HydrophobicContact CG2-CE1 3.41Å; T1574-F1682 VanDerWaalsContact CG2-CE1 3.41Å; T1574-F1682 HydrophobicContact CG2-CZ 4.48Å; T1574-H1683 WeakPolarHBondContact CB-ND1 3.45Å; T1574-H1683 PolarHBondContact OG1-ND1 3.05Å; T1574-M1686 HydrophobicContact CG2-CG 4.14Å
1575D86.9Confident87.5Confident50 Ų5036.2 Ų36.227%0.26720%0.195SC..Hα-helixtrans-70.2-48175.357.8-23.2000112.1H1573 L1577 C1578 Y1579 W1617H1573-D1575 VanDerWaalsContact C-N 3.29Å; H1573-D1575 PolarHBondContact O-N 3.39Å; D1575-L1577 VanDerWaalsContact C-N 3.27Å; D1575-L1577 PolarHBondContact O-N 2.93Å; D1575-C1578 WeakPolarHBondContact O-CB 3.36Å; D1575-C1578 PolarHBondContact O-N 3.36Å; D1575-C1578 VanDerWaalsContact O-N 3.1Å; D1575-Y1579 PolarHBondContact O-N 3.26Å; D1575-W1617 HydrophobicContact CB-CH2 4.17Å; D1575-W1617 HydrophobicContact CB-CZ2 4.07Å
1576I85Confident87.7Confident92 Ų9236.3 Ų36.347%0.47220%0.195SC..Hα-helixtrans-60.6-39.3176.1-59.9176000110.4H1573 Y1579 F1580H1573-I1576 HydrophobicContact CB-CD1 4.31Å; I1576-Y1579 PolarHBondContact O-N 3.05Å; I1576-F1580 WeakPolarHBondContact O-CB 3.21Å; I1576-F1580 PolarHBondContact O-N 2.63Å
1577L86.5Confident87.7Confident57 Ų5734 Ų3430%0.29818%0.181SC..Hα-helixtrans-60.9-42.9174.1-71.8172.1000112.1I1570 H1573 D1575 F1580 F1581I1570-L1577 HydrophobicContact CG2-CD1 4.03Å; H1573-L1577 PolarHBondContact O-N 2.9Å; D1575-L1577 VanDerWaalsContact C-N 3.27Å; D1575-L1577 PolarHBondContact O-N 2.93Å; L1577-F1580 PolarHBondContact O-N 3.19Å; L1577-F1581 HydrophobicContact CB-CE2 4.43Å; L1577-F1581 WeakPolarHBondContact O-CD2 3.43Å; L1577-F1581 PolarHBondContact O-N 3.14Å
1578C91.5Very high87.6Confident0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-63.4-41.8176-660000112T1574 D1575 F1581 A1582 W1617 L1676 S1679 L1680T1574-C1578 PolarHBondContact O-N 3.11Å; T1574-C1578 PolarHBondContact O-SG 3.21Å; D1575-C1578 WeakPolarHBondContact O-CB 3.36Å; D1575-C1578 PolarHBondContact O-N 3.36Å; D1575-C1578 VanDerWaalsContact O-N 3.1Å; C1578-F1581 PolarHBondContact O-N 3.1Å; C1578-A1582 WeakPolarHBondContact O-CB 3.13Å; C1578-A1582 PolarHBondContact O-N 3.43Å; C1578-W1617 HydrophobicContact CB-CH2 4Å; C1578-W1617 HydrophobicContact CB-CZ3 3.7Å; C1578-L1676 WeakPolarHBondContact O-CD1 3.39Å; C1578-S1679 PolarHBondContact SG-OG 3.29Å; C1578-S1679 VanDerWaalsContact SG-OG 3.38Å; C1578-L1680 HydrophobicContact CB-CD2 4.15Å
1579Y90.2Very high87.4Confident6 Ų632.2 Ų32.22%0.02417%0.168CC..Hα-helixtrans-65.7-41.2176.4-59.4-27.1000112.3D1575 I1576 A1582 I1583 G1605 N1606 P1612 F1616 W1617 L1905D1575-Y1579 PolarHBondContact O-N 3.26Å; I1576-Y1579 PolarHBondContact O-N 3.05Å; Y1579-A1582 PolarHBondContact O-N 2.73Å; Y1579-I1583 WeakPolarHBondContact O-CG1 3.06Å; Y1579-I1583 PolarHBondContact O-N 3.02Å; Y1579-G1605 VanDerWaalsContact OH-C 3.25Å; Y1579-G1605 WeakPolarHBondContact OH-CA 3.23Å; Y1579-G1605 PolarHBondContact OH-O 2.67Å; Y1579-N1606 HydrophobicContact CE2-CB 4.43Å; Y1579-P1612 WeakPolarHBondContact OH-CG 3.23Å; Y1579-F1616 AromaticContact CE1-CE1 3.89Å; Y1579-F1616 HydrophobicContact CE1-CE1 3.89Å; Y1579-F1616 AromaticContact CE1-CZ 3.79Å; Y1579-F1616 HydrophobicContact CE1-CZ 3.79Å; Y1579-W1617 HydrophobicContact CD1-CH2 4.48Å; Y1579-W1617 AromaticContact CE1-CH2 3.81Å; Y1579-W1617 HydrophobicContact CE1-CH2 3.81Å; Y1579-W1617 HydrophobicContact CE1-CZ2 4.39Å; Y1579-L1905 HydrophobicContact CD2-CD2 4.47Å
1580F88.3Confident86.8Confident83 Ų8331.5 Ų31.536%0.36417%0.166SC..Hα-helixtrans-60.5-48.5175.2177.7-100.7000111.3I1576 L1577 A1582 I1583 M1584I1576-F1580 WeakPolarHBondContact O-CB 3.21Å; I1576-F1580 PolarHBondContact O-N 2.63Å; L1577-F1580 PolarHBondContact O-N 3.19Å; F1580-A1582 VanDerWaalsContact C-N 3.32Å; F1580-A1582 PolarHBondContact O-N 3.46Å; F1580-I1583 PolarHBondContact O-N 2.85Å; F1580-M1584 HydrophobicContact CD1-CG 4.01Å; F1580-M1584 HydrophobicContact CD2-CE 4.27Å; F1580-M1584 HydrophobicContact CE1-CG 3.57Å; F1580-M1584 HydrophobicContact CE1-SD 4.12Å; F1580-M1584 HydrophobicContact CE2-CE 3.69Å; F1580-M1584 HydrophobicContact CE2-CG 4.23Å; F1580-M1584 HydrophobicContact CE2-SD 4.06Å; F1580-M1584 HydrophobicContact CZ-CE 3.91Å; F1580-M1584 HydrophobicContact CZ-CG 3.69Å; F1580-M1584 HydrophobicContact CZ-SD 3.62Å; F1580-M1584 WeakPolarHBondContact O-CG 3.45Å; F1580-M1584 PolarHBondContact O-N 2.92Å
1581F91.5Very high86.4Confident45 Ų4527.6 Ų27.620%0.19715%0.146CC..Hα-helixtrans-67.3-29.8177.7-68.5-52.9000113.3L1577 C1578 M1584 T1585 W1672 V1675 L1676L1577-F1581 HydrophobicContact CB-CE2 4.43Å; L1577-F1581 WeakPolarHBondContact O-CD2 3.43Å; L1577-F1581 PolarHBondContact O-N 3.14Å; C1578-F1581 PolarHBondContact O-N 3.1Å; F1581-M1584 PolarHBondContact O-N 3.5Å; F1581-T1585 WeakPolarHBondContact O-CB 3.38Å; F1581-T1585 PolarHBondContact O-N 3.2Å; F1581-T1585 PolarHBondContact O-OG1 3.45Å; F1581-W1672 HydrophobicContact CD1-CZ3 4.48Å; F1581-V1675 HydrophobicContact CD1-CG1 3.74Å; F1581-V1675 HydrophobicContact CD2-CG1 4.27Å; F1581-V1675 HydrophobicContact CE1-CG1 3.65Å; F1581-V1675 HydrophobicContact CE2-CG1 4.19Å; F1581-V1675 HydrophobicContact CG-CG1 4.07Å; F1581-V1675 HydrophobicContact CZ-CG1 3.88Å; F1581-L1676 HydrophobicContact CB-CB 4.27Å; F1581-L1676 HydrophobicContact CB-CD1 3.8Å
1582A91.3Very high86.4Confident0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-64-43.1171.200000112C1578 Y1579 F1580 T1585 Q1586 L1597 M1620 L1676C1578-A1582 WeakPolarHBondContact O-CB 3.13Å; C1578-A1582 PolarHBondContact O-N 3.43Å; Y1579-A1582 PolarHBondContact O-N 2.73Å; F1580-A1582 VanDerWaalsContact C-N 3.32Å; F1580-A1582 PolarHBondContact O-N 3.46Å; A1582-T1585 PolarHBondContact O-N 3.49Å; A1582-Q1586 PolarHBondContact O-N 3.46Å; A1582-L1597 HydrophobicContact CB-CB 4.26Å; A1582-M1620 HydrophobicContact CB-CE 3.8Å; A1582-L1676 HydrophobicContact CB-CD1 4.36Å; A1582-L1676 HydrophobicContact CB-CD2 4.39Å
1583I90.5Very high86.6Confident4 Ų431.6 Ų31.62%0.02116%0.161CC..Hα-helixtrans-66.3-44.7174.7-66.2161.2000110.6Y1579 F1580 T1585 Q1586 V1587 P1598 Y1897 L1905Y1579-I1583 WeakPolarHBondContact O-CG1 3.06Å; Y1579-I1583 PolarHBondContact O-N 3.02Å; F1580-I1583 PolarHBondContact O-N 2.85Å; I1583-T1585 VanDerWaalsContact C-N 3.31Å; I1583-T1585 PolarHBondContact O-N 2.92Å; I1583-Q1586 PolarHBondContact O-N 3.43Å; I1583-V1587 WeakPolarHBondContact O-CG2 3.21Å; I1583-V1587 PolarHBondContact O-N 3.1Å; I1583-P1598 HydrophobicContact CG1-CB 4.14Å; I1583-Y1897 HydrophobicContact CG2-CD1 4.45Å; I1583-Y1897 HydrophobicContact CG2-CE1 4.02Å; I1583-L1905 HydrophobicContact CD1-CD1 3.8Å; I1583-L1905 HydrophobicContact CD1-CG 4.44Å
1584M88.2Confident86.8Confident17 Ų1728 Ų288%0.08415%0.145CC..Hα-helixtrans-59-41.2175.3-69-55.494.300112.4F1580 F1581 Q1586 V1587 M1588 W1672 V1898F1580-M1584 HydrophobicContact CD1-CG 4.01Å; F1580-M1584 HydrophobicContact CD2-CE 4.27Å; F1580-M1584 HydrophobicContact CE1-CG 3.57Å; F1580-M1584 HydrophobicContact CE1-SD 4.12Å; F1580-M1584 HydrophobicContact CE2-CE 3.69Å; F1580-M1584 HydrophobicContact CE2-CG 4.23Å; F1580-M1584 HydrophobicContact CE2-SD 4.06Å; F1580-M1584 HydrophobicContact CZ-CE 3.91Å; F1580-M1584 HydrophobicContact CZ-CG 3.69Å; F1580-M1584 HydrophobicContact CZ-SD 3.62Å; F1580-M1584 WeakPolarHBondContact O-CG 3.45Å; F1580-M1584 PolarHBondContact O-N 2.92Å; F1581-M1584 PolarHBondContact O-N 3.5Å; M1584-Q1586 VanDerWaalsContact C-N 3.32Å; M1584-Q1586 PolarHBondContact O-N 2.74Å; M1584-V1587 PolarHBondContact O-N 3.45Å; M1584-M1588 VanDerWaalsContact O-CG 3.28Å; M1584-M1588 WeakPolarHBondContact O-CG 3.18Å; M1584-M1588 PolarHBondContact O-N 2.89Å; M1584-W1672 HydrophobicContact CB-CE3 4.21Å; M1584-W1672 HydrophobicContact CB-CZ3 4.38Å; M1584-V1898 HydrophobicContact CE-CB 4.22Å; M1584-V1898 HydrophobicContact CE-CG1 3.73Å; M1584-V1898 HydrophobicContact CE-CG2 3.42Å; M1584-V1898 VanDerWaalsContact CE-CG2 3.42Å
1585T89.1Confident86.7Confident0 Ų029.4 Ų29.40%015%0.152CC..Hα-helixtrans-59.1-45.3178.7-59.10000110.4F1581 A1582 I1583 T1589 T1594 L1597 D1673F1581-T1585 WeakPolarHBondContact O-CB 3.38Å; F1581-T1585 PolarHBondContact O-N 3.2Å; F1581-T1585 PolarHBondContact O-OG1 3.45Å; A1582-T1585 PolarHBondContact O-N 3.49Å; I1583-T1585 VanDerWaalsContact C-N 3.31Å; I1583-T1585 PolarHBondContact O-N 2.92Å; T1585-T1589 WeakPolarHBondContact O-CB 3.38Å; T1585-T1589 WeakPolarHBondContact O-CG2 3.3Å; T1585-T1589 PolarHBondContact O-N 2.76Å; T1585-T1589 VanDerWaalsContact O-N 3.15Å; T1585-T1589 PolarHBondContact O-OG1 2.89Å; T1585-T1594 HydrophobicContact CG2-CG2 4.06Å; T1585-L1597 HydrophobicContact CG2-CD1 4.26Å; T1585-D1673 WeakPolarHBondContact CG2-OD1 3.21Å
1586Q89.4Confident86.9Confident1 Ų129 Ų291%0.00515%0.152CC..Hα-helixtrans-63.6-41.7175.1-178.860.815.900112.8A1582 I1583 M1584 M1588 G1590 G1591 T1594 P1598 F1876A1582-Q1586 PolarHBondContact O-N 3.46Å; I1583-Q1586 PolarHBondContact O-N 3.43Å; M1584-Q1586 VanDerWaalsContact C-N 3.32Å; M1584-Q1586 PolarHBondContact O-N 2.74Å; Q1586-M1588 VanDerWaalsContact C-N 3.35Å; Q1586-M1588 PolarHBondContact O-N 3.24Å; Q1586-G1590 WeakPolarHBondContact O-CA 3.39Å; Q1586-G1590 PolarHBondContact O-N 3.47Å; Q1586-G1591 PolarHBondContact NE2-O 3.14Å; Q1586-G1591 PolarHBondContact OE1-O 2.78Å; Q1586-G1591 VanDerWaalsContact OE1-O 3.11Å; Q1586-T1594 PolarHBondContact OE1-O 3.07Å; Q1586-T1594 PolarHBondContact OE1-OG1 3.34Å; Q1586-P1598 HydrophobicContact CB-CG 3.84Å; Q1586-P1598 HydrophobicContact CG-CG 4.01Å; Q1586-F1876 HydrophobicContact CG-CE1 4.37Å; Q1586-F1876 HydrophobicContact CG-CE2 4.12Å; Q1586-F1876 HydrophobicContact CG-CZ 3.65Å
1587V86.5Confident87.1Confident8 Ų824.8 Ų24.85%0.04813%0.13CC..Hα-helixtrans-62.6-40.6-178.6168.90000112.4I1583 M1584 Q1894 Y1897 V1898I1583-V1587 WeakPolarHBondContact O-CG2 3.21Å; I1583-V1587 PolarHBondContact O-N 3.1Å; M1584-V1587 PolarHBondContact O-N 3.45Å; V1587-Q1894 HydrophobicContact CG1-CB 3.81Å; V1587-Q1894 HydrophobicContact CG1-CG 3.85Å; V1587-Y1897 HydrophobicContact CG2-CD1 3.35Å; V1587-Y1897 HydrophobicContact CG2-CE1 3.74Å; V1587-Y1897 HydrophobicContact CG2-CG 4.4Å; V1587-V1898 HydrophobicContact CG1-CG2 4.32Å; V1587-V1898 HydrophobicContact CG2-CG2 3.72Å
1588M83.7Confident87.2Confident66 Ų6622 Ų2233%0.32512%0.116SC..Hα-helixtrans-84.2-27.5-174.3-62.7-69.2172.300113.2M1584 Q1586 R1666 W1672M1584-M1588 VanDerWaalsContact O-CG 3.28Å; M1584-M1588 WeakPolarHBondContact O-CG 3.18Å; M1584-M1588 PolarHBondContact O-N 2.89Å; Q1586-M1588 VanDerWaalsContact C-N 3.35Å; Q1586-M1588 PolarHBondContact O-N 3.24Å; M1588-R1666 PolarHBondContact O-NH1 3.42Å; M1588-W1672 HydrophobicContact CB-CG 4.26Å; M1588-W1672 HydrophobicContact CE-CZ2 4.23Å; M1588-W1672 HydrophobicContact CG-CD2 4.28Å; M1588-W1672 HydrophobicContact CG-CG 4.24Å; M1588-W1672 HydrophobicContact CG-CZ2 4.4Å
1589T79.9Confident87Confident14 Ų1424.2 Ų24.29%0.08613%0.127CC..Hα-helixtrans-99.9-28-177.860.90000113.2T1585 G1591 T1594 I1888T1585-T1589 WeakPolarHBondContact O-CB 3.38Å; T1585-T1589 WeakPolarHBondContact O-CG2 3.3Å; T1585-T1589 PolarHBondContact O-N 2.76Å; T1585-T1589 VanDerWaalsContact O-N 3.15Å; T1585-T1589 PolarHBondContact O-OG1 2.89Å; T1589-G1591 PolarHBondContact O-N 2.88Å; T1589-G1591 VanDerWaalsContact O-N 3.08Å; T1589-T1594 WeakPolarHBondContact OG1-CG2 3.47Å; T1589-T1594 PolarHBondContact OG1-OG1 2.96Å; T1589-I1888 WeakPolarHBondContact O-CD1 3.36Å
1590G75Confident86.9Confident16 Ų1625.6 Ų25.617%0.16513%0.134CC..  trans64.64.9175.700000116.2Q1586Q1586-G1590 WeakPolarHBondContact O-CA 3.39Å; Q1586-G1590 PolarHBondContact O-N 3.47Å
1591G79.4Confident87Confident1 Ų121.7 Ų21.71%0.0112%0.117CC..  trans-88.5158.8-166.800000115.3Q1586 T1589 I1593 T1594 L1595 F1661Q1586-G1591 PolarHBondContact NE2-O 3.14Å; Q1586-G1591 PolarHBondContact OE1-O 2.78Å; Q1586-G1591 VanDerWaalsContact OE1-O 3.11Å; T1589-G1591 PolarHBondContact O-N 2.88Å; T1589-G1591 VanDerWaalsContact O-N 3.08Å; G1591-I1593 VanDerWaalsContact C-N 3.33Å; G1591-T1594 PolarHBondContact O-OG1 3.49Å; G1591-L1595 PolarHBondContact O-N 3.06Å; G1591-F1661 WeakPolarHBondContact CA-O 3.38Å
1592L84.8Confident86.8Confident79 Ų7919.5 Ų19.541%0.41411%0.108SC..THydrogen-bonded Turntrans-69-28.3169.4-114.4144.3000112.9T1594 L1595 P1596 L1660 F1661L1592-T1594 VanDerWaalsContact C-N 3.33Å; L1592-L1595 HydrophobicContact CD2-CD2 4.46Å; L1592-L1595 WeakPolarHBondContact O-CB 3.3Å; L1592-L1595 PolarHBondContact O-N 2.79Å; L1592-P1596 WeakPolarHBondContact O-CD 3.25Å; L1592-L1660 WeakPolarHBondContact CB-O 3.41Å; L1592-L1660 HydrophobicContact CD1-CD1 3.83Å; L1592-L1660 HydrophobicContact CD1-CD2 4.42Å; L1592-L1660 HydrophobicContact CD1-CG 3.87Å; L1592-L1660 PolarHBondContact N-O 3.35Å; L1592-F1661 HydrophobicContact CB-CD1 4.21Å
1593I87.6Confident86.5Confident40 Ų4023.2 Ų23.221%0.20512%0.124CC..THydrogen-bonded Turntrans-69.3-32.2177.2-64.2-178.1000111.6G1591 P1596 Y1623 V1627 F1661 V1663G1591-I1593 VanDerWaalsContact C-N 3.33Å; I1593-P1596 WeakPolarHBondContact O-CD 3.38Å; I1593-Y1623 WeakPolarHBondContact O-CE1 3.5Å; I1593-Y1623 PolarHBondContact O-OH 2.93Å; I1593-V1627 HydrophobicContact CG2-CG1 4.49Å; I1593-V1627 HydrophobicContact CG2-CG2 3.85Å; I1593-F1661 HydrophobicContact CD1-CB 4.12Å; I1593-F1661 HydrophobicContact CD1-CD1 4.42Å; I1593-F1661 HydrophobicContact CG1-CB 4.21Å; I1593-F1661 HydrophobicContact CG1-CD1 4Å; I1593-F1661 WeakPolarHBondContact CG1-O 3.3Å; I1593-F1661 PolarHBondContact N-O 3.02Å; I1593-V1663 HydrophobicContact CD1-CG2 3.5Å; I1593-V1663 VanDerWaalsContact CD1-CG2 3.5Å
1594T88.3Confident86.3Confident2 Ų227.1 Ų27.11%0.01214%0.139CC..THydrogen-bonded Turntrans-87.2-18.7178.843.30000113T1585 Q1586 T1589 G1591 L1592 P1596 L1597 P1598T1585-T1594 HydrophobicContact CG2-CG2 4.06Å; Q1586-T1594 PolarHBondContact OE1-O 3.07Å; Q1586-T1594 PolarHBondContact OE1-OG1 3.34Å; T1589-T1594 WeakPolarHBondContact OG1-CG2 3.47Å; T1589-T1594 PolarHBondContact OG1-OG1 2.96Å; G1591-T1594 PolarHBondContact O-OG1 3.49Å; L1592-T1594 VanDerWaalsContact C-N 3.33Å; T1594-P1596 VanDerWaalsContact C-CD 3.43Å; T1594-P1596 VanDerWaalsContact C-N 3.34Å; T1594-L1597 HydrophobicContact CG2-CD1 4.5Å; T1594-L1597 WeakPolarHBondContact O-CB 3.38Å; T1594-L1597 PolarHBondContact O-N 3.27Å; T1594-P1598 VanDerWaalsContact O-CD 3.3Å; T1594-P1598 WeakPolarHBondContact O-CD 3.33Å
1595L87.6Confident86.1Confident36 Ų3626.3 Ų26.319%0.18814%0.135CC..THydrogen-bonded Turntrans-54-36-178.3-169.699.7000114.5G1591 L1592 L1597 P1598 L1599 F1876G1591-L1595 PolarHBondContact O-N 3.06Å; L1592-L1595 HydrophobicContact CD2-CD2 4.46Å; L1592-L1595 WeakPolarHBondContact O-CB 3.3Å; L1592-L1595 PolarHBondContact O-N 2.79Å; L1595-L1597 PolarHBondContact O-N 2.83Å; L1595-P1598 VanDerWaalsContact O-CD 3.23Å; L1595-P1598 WeakPolarHBondContact O-CD 3.07Å; L1595-P1598 WeakPolarHBondContact O-CG 2.94Å; L1595-L1599 HydrophobicContact CD2-CD1 3.75Å; L1595-L1599 HydrophobicContact CG-CD1 3.96Å; L1595-L1599 HydrophobicContact CG-CG 4.45Å; L1595-L1599 WeakPolarHBondContact O-CG 3.38Å; L1595-L1599 PolarHBondContact O-N 2.93Å; L1595-F1876 HydrophobicContact CD1-CD2 4.16Å; L1595-F1876 HydrophobicContact CD1-CE2 4.34Å
1596P90.3Very high85.8Confident43 Ų4327.2 Ų27.228%0.27914%0.139SC..Hα-helixtrans-60.1-27.4174.5-28.539000114.5L1592 I1593 T1594 L1599 M1600 Y1623L1592-P1596 WeakPolarHBondContact O-CD 3.25Å; I1593-P1596 WeakPolarHBondContact O-CD 3.38Å; T1594-P1596 VanDerWaalsContact C-CD 3.43Å; T1594-P1596 VanDerWaalsContact C-N 3.34Å; P1596-L1599 PolarHBondContact O-N 3.48Å; P1596-M1600 VanDerWaalsContact O-CB 3.3Å; P1596-M1600 WeakPolarHBondContact O-CB 3.47Å; P1596-M1600 VanDerWaalsContact O-CG 3.22Å; P1596-M1600 WeakPolarHBondContact O-CG 3.3Å; P1596-M1600 PolarHBondContact O-N 3.16Å; P1596-Y1623 HydrophobicContact CB-CE1 4.46Å
1597L90.1Very high85.5Confident2 Ų227.6 Ų27.61%0.0114%0.141CC..Hα-helixtrans-62.4-55.9-178.1-67.9164.3000113.1A1582 T1585 T1594 L1595 S1601 M1620 Y1623 T1624 L1676A1582-L1597 HydrophobicContact CB-CB 4.26Å; T1585-L1597 HydrophobicContact CG2-CD1 4.26Å; T1594-L1597 HydrophobicContact CG2-CD1 4.5Å; T1594-L1597 WeakPolarHBondContact O-CB 3.38Å; T1594-L1597 PolarHBondContact O-N 3.27Å; L1595-L1597 PolarHBondContact O-N 2.83Å; L1597-S1601 PolarHBondContact O-N 2.75Å; L1597-M1620 HydrophobicContact CD2-CG 4.47Å; L1597-Y1623 HydrophobicContact CD2-CD1 3.93Å; L1597-Y1623 HydrophobicContact CG-CD1 4.13Å; L1597-Y1623 HydrophobicContact CG-CE1 4.24Å; L1597-T1624 HydrophobicContact CD1-CG2 4.45Å; L1597-T1624 HydrophobicContact CD2-CG2 3.85Å; L1597-L1676 HydrophobicContact CD1-CD2 4.13Å; L1597-L1676 HydrophobicContact CD2-CD2 4.34Å
1598P87.2Confident85.2Confident0 Ų027.6 Ų27.60%014%0.142CC..Hα-helixtrans-67.9-32.817427.4-36000112.9I1583 Q1586 T1594 L1595 M1600 S1601 L1602I1583-P1598 HydrophobicContact CG1-CB 4.14Å; Q1586-P1598 HydrophobicContact CB-CG 3.84Å; Q1586-P1598 HydrophobicContact CG-CG 4.01Å; T1594-P1598 VanDerWaalsContact O-CD 3.3Å; T1594-P1598 WeakPolarHBondContact O-CD 3.33Å; L1595-P1598 VanDerWaalsContact O-CD 3.23Å; L1595-P1598 WeakPolarHBondContact O-CD 3.07Å; L1595-P1598 WeakPolarHBondContact O-CG 2.94Å; P1598-M1600 PolarHBondContact O-N 3.18Å; P1598-S1601 PolarHBondContact O-N 2.76Å; P1598-S1601 PolarHBondContact O-OG 3.09Å; P1598-L1602 WeakPolarHBondContact O-CB 3.35Å; P1598-L1602 VanDerWaalsContact O-CG 3.28Å; P1598-L1602 WeakPolarHBondContact O-CG 3.44Å; P1598-L1602 PolarHBondContact O-N 2.7Å
1599L88Confident84.5Confident45 Ų4527.1 Ų27.124%0.23614%0.141CC..Hα-helixtrans-65.1-40.5177.5-66.4179.6000111.8L1595 P1596 L1602 F1603 I1868L1595-L1599 HydrophobicContact CD2-CD1 3.75Å; L1595-L1599 HydrophobicContact CG-CD1 3.96Å; L1595-L1599 HydrophobicContact CG-CG 4.45Å; L1595-L1599 WeakPolarHBondContact O-CG 3.38Å; L1595-L1599 PolarHBondContact O-N 2.93Å; P1596-L1599 PolarHBondContact O-N 3.48Å; L1599-L1602 PolarHBondContact O-N 3.08Å; L1599-F1603 HydrophobicContact CB-CD2 4.37Å; L1599-F1603 HydrophobicContact CD2-CD2 4.4Å; L1599-F1603 HydrophobicContact CD2-CE2 3.93Å; L1599-F1603 WeakPolarHBondContact O-CB 3.28Å; L1599-F1603 PolarHBondContact O-N 3.06Å; L1599-I1868 HydrophobicContact CD2-CG2 4.17Å
1600M89.3Confident83.8Confident35 Ų3530 Ų3017%0.17216%0.16CC..Hα-helixtrans-62.9-39.9172.4-75.8176.964.900112P1596 P1598 W1604 G1605 F1616 T1619P1596-M1600 VanDerWaalsContact O-CB 3.3Å; P1596-M1600 WeakPolarHBondContact O-CB 3.47Å; P1596-M1600 VanDerWaalsContact O-CG 3.22Å; P1596-M1600 WeakPolarHBondContact O-CG 3.3Å; P1596-M1600 PolarHBondContact O-N 3.16Å; P1598-M1600 PolarHBondContact O-N 3.18Å; M1600-W1604 HydrophobicContact CE-CE3 4.36Å; M1600-W1604 HydrophobicContact CE-CZ3 4.36Å; M1600-W1604 WeakPolarHBondContact O-CA 3.38Å; M1600-W1604 WeakPolarHBondContact O-CB 3.43Å; M1600-W1604 PolarHBondContact O-N 2.74Å; M1600-G1605 PolarHBondContact O-N 2.89Å; M1600-F1616 HydrophobicContact CB-CE2 4.16Å; M1600-F1616 HydrophobicContact CE-CD2 4.35Å; M1600-F1616 HydrophobicContact CE-CE2 4.37Å; M1600-T1619 HydrophobicContact CE-CG2 3.93Å
1601S88.8Confident83.6Confident1 Ų132.8 Ų32.81%0.00717%0.165CC..Iπ-helixtrans-69.2-39.5178.372.40000112.8L1597 P1598 N1606L1597-S1601 PolarHBondContact O-N 2.75Å; P1598-S1601 PolarHBondContact O-N 2.76Å; P1598-S1601 PolarHBondContact O-OG 3.09Å; S1601-N1606 PolarHBondContact O-N 2.86Å
1602L87.7Confident83.6Confident0 Ų033.5 Ų33.50%017%0.17CC..Iπ-helixtrans-77.4-40.6-177.8-68176.1000113.7P1598 L1599 I1868 F1904 L1905P1598-L1602 WeakPolarHBondContact O-CB 3.35Å; P1598-L1602 VanDerWaalsContact O-CG 3.28Å; P1598-L1602 WeakPolarHBondContact O-CG 3.44Å; P1598-L1602 PolarHBondContact O-N 2.7Å; L1599-L1602 PolarHBondContact O-N 3.08Å; L1602-I1868 HydrophobicContact CB-CD1 4.27Å; L1602-I1868 HydrophobicContact CD1-CD1 4.4Å; L1602-F1904 HydrophobicContact CD2-CB 3.85Å; L1602-L1905 HydrophobicContact CD2-CD2 3.89Å; L1602-L1905 HydrophobicContact CD2-CG 4.01Å
1603F85Confident83.3Confident77 Ų7731.8 Ų31.834%0.33817%0.165SC..Iπ-helixtrans-93.3-27.6-177.7-67.8-48.4000114.6L1599 V1865 I1868L1599-F1603 HydrophobicContact CB-CD2 4.37Å; L1599-F1603 HydrophobicContact CD2-CD2 4.4Å; L1599-F1603 HydrophobicContact CD2-CE2 3.93Å; L1599-F1603 WeakPolarHBondContact O-CB 3.28Å; L1599-F1603 PolarHBondContact O-N 3.06Å; F1603-V1865 HydrophobicContact CE1-CG2 4.18Å; F1603-I1868 HydrophobicContact CD1-CD1 4.44Å; F1603-I1868 HydrophobicContact CE1-CB 4.41Å; F1603-I1868 HydrophobicContact CE1-CD1 3.86Å; F1603-I1868 HydrophobicContact CE1-CG2 4.18Å; F1603-I1868 HydrophobicContact CE2-CG2 4.16Å; F1603-I1868 HydrophobicContact CZ-CB 4.16Å; F1603-I1868 HydrophobicContact CZ-CD1 4.37Å; F1603-I1868 HydrophobicContact CZ-CG2 3.6Å
1604W86.5Confident83.1Confident87 Ų8734.9 Ų34.933%0.3318%0.176SC..Iπ-helixtrans-116.3-53-175.5-1717.4000112.7M1600 S1608 F1615 F1616M1600-W1604 HydrophobicContact CE-CE3 4.36Å; M1600-W1604 HydrophobicContact CE-CZ3 4.36Å; M1600-W1604 WeakPolarHBondContact O-CA 3.38Å; M1600-W1604 WeakPolarHBondContact O-CB 3.43Å; M1600-W1604 PolarHBondContact O-N 2.74Å; W1604-S1608 WeakPolarHBondContact O-CB 3.35Å; W1604-S1608 PolarHBondContact O-N 2.94Å; W1604-F1615 AromaticContact CH2-CD1 3.6Å; W1604-F1615 HydrophobicContact CH2-CD1 3.6Å; W1604-F1615 AromaticContact CH2-CE1 3.78Å; W1604-F1615 HydrophobicContact CH2-CE1 3.78Å; W1604-F1615 HydrophobicContact CZ2-CD1 4.04Å; W1604-F1616 HydrophobicContact CB-CD2 4.41Å; W1604-F1616 AromaticContact CD2-CD2 3.88Å; W1604-F1616 HydrophobicContact CD2-CD2 3.88Å; W1604-F1616 AromaticContact CE3-CD2 3.94Å; W1604-F1616 HydrophobicContact CE3-CD2 3.94Å; W1604-F1616 HydrophobicContact CG-CD2 4.09Å; W1604-F1616 HydrophobicContact CZ2-CB 4.49Å
1605G83.9Confident83Confident0 Ų041.3 Ų41.30%021%0.205CC..Iπ-helixtrans-55.8-62.4-175.800000112.2Y1579 M1600 S1608Y1579-G1605 VanDerWaalsContact OH-C 3.25Å; Y1579-G1605 WeakPolarHBondContact OH-CA 3.23Å; Y1579-G1605 PolarHBondContact OH-O 2.67Å; M1600-G1605 PolarHBondContact O-N 2.89Å; G1605-S1608 PolarHBondContact O-OG 2.95Å
1606N83.7Confident83.1Confident18 Ų1839.6 Ų39.610%0.09620%0.196CC..THydrogen-bonded Turntrans-80.6-23.9-171.1-159.224.8000114.9Y1579 S1601 S1608 L1905 A1908 R1912Y1579-N1606 HydrophobicContact CE2-CB 4.43Å; S1601-N1606 PolarHBondContact O-N 2.86Å; N1606-S1608 VanDerWaalsContact C-N 3.33Å; N1606-L1905 HydrophobicContact CB-CD2 4.18Å; N1606-L1905 PolarHBondContact ND2-O 2.85Å; N1606-A1908 HydrophobicContact CB-CB 4.18Å; N1606-R1912 PolarHBondContact O-NH1 2.97Å
1607L82.8Confident83.1Confident9 Ų938 Ų385%0.04718%0.184CC..THydrogen-bonded Turntrans-78-14.8175.1-72.1176.5000113.2F1776 L1780 L1861 A1908 I1911L1607-F1776 HydrophobicContact CB-CE1 4.46Å; L1607-F1776 HydrophobicContact CB-CZ 3.95Å; L1607-L1780 HydrophobicContact CD2-CD1 4.33Å; L1607-L1780 HydrophobicContact CD2-CD2 4.45Å; L1607-L1780 WeakPolarHBondContact O-CD1 3.45Å; L1607-L1861 HydrophobicContact CD1-CD1 4.4Å; L1607-A1908 HydrophobicContact CD2-CB 3.86Å; L1607-A1908 HydrophobicContact CG-CB 4.22Å; L1607-I1911 HydrophobicContact CD2-CB 4.27Å; L1607-I1911 HydrophobicContact CD2-CG2 4.1Å
1608S79Confident83.1Confident9 Ų939.7 Ų39.76%0.06320%0.195CC..SBendtrans-69.9137.6175.967.90000112.9W1604 G1605 N1606 P1612 R1912W1604-S1608 WeakPolarHBondContact O-CB 3.35Å; W1604-S1608 PolarHBondContact O-N 2.94Å; G1605-S1608 PolarHBondContact O-OG 2.95Å; N1606-S1608 VanDerWaalsContact C-N 3.33Å; S1608-P1612 VanDerWaalsContact OG-CA 3.26Å; S1608-P1612 WeakPolarHBondContact OG-CA 3.42Å; S1608-P1612 VanDerWaalsContact OG-N 3.16Å; S1608-R1912 VanDerWaalsContact O-CD 3.26Å; S1608-R1912 WeakPolarHBondContact O-CD 3.34Å
1609N69.3Low83.3Confident55 Ų5541.5 Ų41.529%0.29421%0.206SC..SBendtrans-124.1130178.3-173.8-10.3000109.3P1783 F1785 R1912N1609-P1783 WeakPolarHBondContact ND2-CB 3.44Å; N1609-F1785 PolarHBondContact ND2-O 3.16Å; N1609-R1912 HydrophobicContact CB-CG 4.03Å
1610P66.3Low83.4Confident75 Ų7539.5 Ų39.549%0.48720%0.195SC..SBendcis-86.3-12.9-1.834.3-35.9000114.6
1611R71.1Confident83.5Confident74 Ų7438 Ų3828%0.27919%0.187SC..SBendtrans-152.8157.6-178.369.9-174.7-168.8-172.69.6111.5L1692 K1694 D1695R1611-L1692 VanDerWaalsContact NH1-CD2 3.34Å; R1611-L1692 PolarHBondContact NH1-O 3.08Å; R1611-L1692 PolarHBondContact NH2-O 3.39Å; R1611-K1694 PolarHBondContact NH2-O 3.48Å; R1611-D1695 IonicContact CZ-OD1 2.69Å; R1611-D1695 IonicContact NE-OD1 3.56Å; R1611-D1695 IonicContact NH2-OD1 3.52Å; R1611-D1695 PolarHBondContact NH2-OD1 3.45Å
1612P77.9Confident83.6Confident16 Ų1640.4 Ų40.410%0.10420%0.202CC..  trans-63.7145.5171.7-15.427.4000111.5Y1579 S1608 F1616 W1617Y1579-P1612 WeakPolarHBondContact OH-CG 3.23Å; S1608-P1612 VanDerWaalsContact OG-CA 3.26Å; S1608-P1612 WeakPolarHBondContact OG-CA 3.42Å; S1608-P1612 VanDerWaalsContact OG-N 3.16Å; P1612-F1616 HydrophobicContact CB-CB 4.24Å; P1612-F1616 HydrophobicContact CB-CD1 3.56Å; P1612-F1616 HydrophobicContact CB-CE1 4.2Å; P1612-F1616 HydrophobicContact CB-CG 4.02Å; P1612-F1616 HydrophobicContact CG-CD1 4.36Å; P1612-W1617 HydrophobicContact CB-CZ2 4.44Å; P1612-W1617 HydrophobicContact CG-CZ2 4.01Å
1613S78.6Confident83.8Confident44 Ų4443.7 Ų43.731%0.30822%0.215SC..  trans-66.4158.6178.2700000112.2F1615 F1616 W1617S1613-F1615 PolarHBondContact O-N 3.2Å; S1613-F1615 PolarHBondContact OG-N 3.26Å; S1613-F1616 WeakPolarHBondContact O-CB 3.39Å; S1613-F1616 PolarHBondContact O-N 3.38Å; S1613-F1616 PolarHBondContact OG-N 3.44Å; S1613-W1617 PolarHBondContact O-N 3.02Å
1614K83.8Confident84.1Confident104 Ų10440 Ų4045%0.45220%0.199SC..Hα-helixtrans-53.5-36.3167.8176.2-167162.1-152.70111.8W1617 V1618 W1693K1614-W1617 PolarHBondContact O-N 3.14Å; K1614-V1618 HydrophobicContact CG-CG2 4.21Å; K1614-V1618 WeakPolarHBondContact O-CG2 3.24Å; K1614-V1618 PolarHBondContact O-N 2.03Å; K1614-W1693 HydrophobicContact CG-CZ2 4.21Å
1615F86.5Confident84.3Confident138 Ų13837.4 Ų37.461%0.60519%0.19SC*.Hα-helixtrans-64.8-39.1-178.4-176.9-114.3000112.1W1604 S1613 V1618 T1619W1604-F1615 AromaticContact CH2-CD1 3.6Å; W1604-F1615 HydrophobicContact CH2-CD1 3.6Å; W1604-F1615 AromaticContact CH2-CE1 3.78Å; W1604-F1615 HydrophobicContact CH2-CE1 3.78Å; W1604-F1615 HydrophobicContact CZ2-CD1 4.04Å; S1613-F1615 PolarHBondContact O-N 3.2Å; S1613-F1615 PolarHBondContact OG-N 3.26Å; F1615-V1618 PolarHBondContact O-N 2.73Å; F1615-T1619 WeakPolarHBondContact O-CB 3.36Å; F1615-T1619 PolarHBondContact O-N 2.96Å; F1615-T1619 PolarHBondContact O-OG1 3.01Å
1616F88.7Confident84.6Confident0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-55.9-53.5172.5169.9-94.6000111.5Y1579 M1600 W1604 P1612 S1613 V1618 T1619 M1620Y1579-F1616 AromaticContact CE1-CE1 3.89Å; Y1579-F1616 HydrophobicContact CE1-CE1 3.89Å; Y1579-F1616 AromaticContact CE1-CZ 3.79Å; Y1579-F1616 HydrophobicContact CE1-CZ 3.79Å; M1600-F1616 HydrophobicContact CB-CE2 4.16Å; M1600-F1616 HydrophobicContact CE-CD2 4.35Å; M1600-F1616 HydrophobicContact CE-CE2 4.37Å; W1604-F1616 HydrophobicContact CB-CD2 4.41Å; W1604-F1616 AromaticContact CD2-CD2 3.88Å; W1604-F1616 HydrophobicContact CD2-CD2 3.88Å; W1604-F1616 AromaticContact CE3-CD2 3.94Å; W1604-F1616 HydrophobicContact CE3-CD2 3.94Å; W1604-F1616 HydrophobicContact CG-CD2 4.09Å; W1604-F1616 HydrophobicContact CZ2-CB 4.49Å; P1612-F1616 HydrophobicContact CB-CB 4.24Å; P1612-F1616 HydrophobicContact CB-CD1 3.56Å; P1612-F1616 HydrophobicContact CB-CE1 4.2Å; P1612-F1616 HydrophobicContact CB-CG 4.02Å; P1612-F1616 HydrophobicContact CG-CD1 4.36Å; S1613-F1616 WeakPolarHBondContact O-CB 3.39Å; S1613-F1616 PolarHBondContact O-N 3.38Å; S1613-F1616 PolarHBondContact OG-N 3.44Å; F1616-V1618 PolarHBondContact O-N 3.14Å; F1616-T1619 PolarHBondContact O-N 3.36Å; F1616-M1620 HydrophobicContact CE1-SD 3.96Å; F1616-M1620 HydrophobicContact CZ-SD 3.85Å; F1616-M1620 WeakPolarHBondContact O-CB 3.46Å; F1616-M1620 PolarHBondContact O-N 3.37Å
1617W91.3Very high84.8Confident8 Ų840 Ų403%0.0321%0.209CC..Hα-helixtrans-67-36.1-178-66113.2000113.9D1575 C1578 Y1579 P1612 S1613 K1614 M1620 I1621 L1680 H1683 W1693D1575-W1617 HydrophobicContact CB-CH2 4.17Å; D1575-W1617 HydrophobicContact CB-CZ2 4.07Å; C1578-W1617 HydrophobicContact CB-CH2 4Å; C1578-W1617 HydrophobicContact CB-CZ3 3.7Å; Y1579-W1617 HydrophobicContact CD1-CH2 4.48Å; Y1579-W1617 AromaticContact CE1-CH2 3.81Å; Y1579-W1617 HydrophobicContact CE1-CH2 3.81Å; Y1579-W1617 HydrophobicContact CE1-CZ2 4.39Å; P1612-W1617 HydrophobicContact CB-CZ2 4.44Å; P1612-W1617 HydrophobicContact CG-CZ2 4.01Å; S1613-W1617 PolarHBondContact O-N 3.02Å; K1614-W1617 PolarHBondContact O-N 3.14Å; W1617-M1620 HydrophobicContact CE3-SD 4.11Å; W1617-M1620 HydrophobicContact CZ3-SD 3.89Å; W1617-M1620 PolarHBondContact O-N 3.35Å; W1617-I1621 WeakPolarHBondContact O-CG1 3.3Å; W1617-I1621 PolarHBondContact O-N 3.33Å; W1617-L1680 HydrophobicContact CE3-CD2 3.7Å; W1617-L1680 HydrophobicContact CZ3-CD2 3.75Å; W1617-H1683 AromaticContact CD2-CD2 3.58Å; W1617-H1683 AromaticContact CD2-NE2 3.7Å; W1617-H1683 AromaticContact CE2-CD2 3.56Å; W1617-H1683 AromaticContact CE2-NE2 3.15Å; W1617-H1683 AromaticContact CE3-CD2 3.7Å; W1617-H1683 AromaticContact CH2-CD2 3.83Å; W1617-H1683 AromaticContact CH2-NE2 3.75Å; W1617-H1683 AromaticContact CZ2-CD2 3.7Å; W1617-H1683 AromaticContact CZ2-CE1 3.99Å; W1617-H1683 AromaticContact CZ2-NE2 3.2Å; W1617-H1683 WeakPolarHBondContact CZ2-NE2 3.33Å; W1617-H1683 AromaticContact CZ3-CD2 3.82Å; W1617-H1683 AromaticContact NE1-NE2 3.5Å; W1617-W1693 HydrophobicContact CB-CH2 4.26Å; W1617-W1693 HydrophobicContact CB-CZ3 4.07Å
1618V89.9Confident85.1Confident39 Ų3940.3 Ų40.324%0.23621%0.211CC..Hα-helixtrans-66.8-43.5174.4172.30000110.8K1614 F1615 F1616 M1620 I1621 T1622 W1693K1614-V1618 HydrophobicContact CG-CG2 4.21Å; K1614-V1618 WeakPolarHBondContact O-CG2 3.24Å; K1614-V1618 PolarHBondContact O-N 2.03Å; F1615-V1618 PolarHBondContact O-N 2.73Å; F1616-V1618 PolarHBondContact O-N 3.14Å; V1618-M1620 VanDerWaalsContact C-N 3.32Å; V1618-M1620 PolarHBondContact O-N 2.91Å; V1618-I1621 PolarHBondContact O-N 2.9Å; V1618-T1622 HydrophobicContact CG1-CG2 4.41Å; V1618-T1622 WeakPolarHBondContact O-CB 3.11Å; V1618-T1622 WeakPolarHBondContact O-CG2 2.81Å; V1618-T1622 PolarHBondContact O-N 3.17Å; V1618-T1622 PolarHBondContact O-OG1 2.92Å; V1618-W1693 HydrophobicContact CG2-CH2 3.9Å; V1618-W1693 HydrophobicContact CG2-CZ2 3.72Å
1619T91Very high85.4Confident38 Ų3842.8 Ų42.823%0.23323%0.225CC..Hα-helixtrans-62.2-41.8176.2-52.50000110.6M1600 F1615 F1616 T1622 Y1623M1600-T1619 HydrophobicContact CE-CG2 3.93Å; F1615-T1619 WeakPolarHBondContact O-CB 3.36Å; F1615-T1619 PolarHBondContact O-N 2.96Å; F1615-T1619 PolarHBondContact O-OG1 3.01Å; F1616-T1619 PolarHBondContact O-N 3.36Å; T1619-T1622 WeakPolarHBondContact CA-OG1 3.5Å; T1619-T1622 PolarHBondContact O-N 2.89Å; T1619-T1622 PolarHBondContact O-OG1 3.22Å; T1619-Y1623 WeakPolarHBondContact O-CB 3.46Å; T1619-Y1623 PolarHBondContact O-N 3.48Å
1620M91Very high86.3Confident3 Ų344.1 Ų44.12%0.01523%0.232CC..Hα-helixtrans-64.4-42.4178.2-165.7171.7174.700112.6A1582 L1597 F1616 W1617 V1618 T1624 L1676 L1680A1582-M1620 HydrophobicContact CB-CE 3.8Å; L1597-M1620 HydrophobicContact CD2-CG 4.47Å; F1616-M1620 HydrophobicContact CE1-SD 3.96Å; F1616-M1620 HydrophobicContact CZ-SD 3.85Å; F1616-M1620 WeakPolarHBondContact O-CB 3.46Å; F1616-M1620 PolarHBondContact O-N 3.37Å; W1617-M1620 HydrophobicContact CE3-SD 4.11Å; W1617-M1620 HydrophobicContact CZ3-SD 3.89Å; W1617-M1620 PolarHBondContact O-N 3.35Å; V1618-M1620 VanDerWaalsContact C-N 3.32Å; V1618-M1620 PolarHBondContact O-N 2.91Å; M1620-T1624 WeakPolarHBondContact O-CG2 3.47Å; M1620-T1624 PolarHBondContact O-N 3.08Å; M1620-T1624 VanDerWaalsContact O-N 3.1Å; M1620-T1624 PolarHBondContact O-OG1 2.82Å; M1620-L1676 HydrophobicContact CE-CD1 4.03Å; M1620-L1680 HydrophobicContact CB-CD2 4.38Å; M1620-L1680 HydrophobicContact CE-CD2 3.99Å; M1620-L1680 HydrophobicContact CG-CD1 4.02Å; M1620-L1680 HydrophobicContact CG-CD2 3.89Å; M1620-L1680 HydrophobicContact SD-CD2 3.71Å
1621I90.9Very high87.3Confident2 Ų241 Ų411%0.0121%0.21CC..Hα-helixtrans-65.1-50.2174.4-69.8164.5000111.4W1162 W1617 V1618 Y1623 T1624 E1625 L1680 F1681 R1684W1162-I1621 HydrophobicContact CZ3-CG2 4.17Å; W1617-I1621 WeakPolarHBondContact O-CG1 3.3Å; W1617-I1621 PolarHBondContact O-N 3.33Å; V1618-I1621 PolarHBondContact O-N 2.9Å; I1621-Y1623 VanDerWaalsContact C-N 3.29Å; I1621-Y1623 PolarHBondContact O-N 3.31Å; I1621-T1624 PolarHBondContact O-N 2.91Å; I1621-T1624 PolarHBondContact O-OG1 2.87Å; I1621-E1625 HydrophobicContact CG2-CG 4.33Å; I1621-E1625 WeakPolarHBondContact O-CG 3.5Å; I1621-E1625 PolarHBondContact O-N 3.39Å; I1621-L1680 HydrophobicContact CD1-CB 4.37Å; I1621-L1680 HydrophobicContact CG1-CB 3.71Å; I1621-L1680 HydrophobicContact CG1-CD1 4.2Å; I1621-L1680 HydrophobicContact CG1-CG 4.37Å; I1621-F1681 HydrophobicContact CG2-CE2 4.09Å; I1621-F1681 HydrophobicContact CG2-CZ 4.26Å; I1621-R1684 HydrophobicContact CD1-CB 4.39Å
1622T90.7Very high88Confident52 Ų5237.6 Ų37.632%0.31920%0.198SC..Hα-helixtrans-65-34.7-177.748.60000111.9V1618 T1619 C1626V1618-T1622 HydrophobicContact CG1-CG2 4.41Å; V1618-T1622 WeakPolarHBondContact O-CB 3.11Å; V1618-T1622 WeakPolarHBondContact O-CG2 2.81Å; V1618-T1622 PolarHBondContact O-N 3.17Å; V1618-T1622 PolarHBondContact O-OG1 2.92Å; T1619-T1622 WeakPolarHBondContact CA-OG1 3.5Å; T1619-T1622 PolarHBondContact O-N 2.89Å; T1619-T1622 PolarHBondContact O-OG1 3.22Å; T1622-C1626 WeakPolarHBondContact O-CB 3.47Å; T1622-C1626 PolarHBondContact O-N 2.94Å; T1622-C1626 PolarHBondContact O-SG 3.06Å
1623Y92.4Very high88.4Confident69 Ų6939.6 Ų39.627%0.27121%0.21SC..Hα-helixtrans-66.5-43.2173.2-165.5-91.8000111.9I1593 P1596 L1597 T1619 I1621 C1626 V1627I1593-Y1623 WeakPolarHBondContact O-CE1 3.5Å; I1593-Y1623 PolarHBondContact O-OH 2.93Å; P1596-Y1623 HydrophobicContact CB-CE1 4.46Å; L1597-Y1623 HydrophobicContact CD2-CD1 3.93Å; L1597-Y1623 HydrophobicContact CG-CD1 4.13Å; L1597-Y1623 HydrophobicContact CG-CE1 4.24Å; T1619-Y1623 WeakPolarHBondContact O-CB 3.46Å; T1619-Y1623 PolarHBondContact O-N 3.48Å; I1621-Y1623 VanDerWaalsContact C-N 3.29Å; I1621-Y1623 PolarHBondContact O-N 3.31Å; Y1623-C1626 PolarHBondContact O-N 3.35Å; Y1623-V1627 HydrophobicContact CD1-CG2 3.76Å; Y1623-V1627 HydrophobicContact CE1-CG2 3.49Å; Y1623-V1627 VanDerWaalsContact CE1-CG2 3.49Å; Y1623-V1627 WeakPolarHBondContact O-CB 3.48Å; Y1623-V1627 VanDerWaalsContact O-CG2 3.28Å; Y1623-V1627 WeakPolarHBondContact O-CG2 3.42Å; Y1623-V1627 PolarHBondContact O-N 3.36Å
1624T91.7Very high88.8Confident0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-67.4-38.2176.454.30000112.7L1597 M1620 I1621 V1627 I1628 L1676 L1680L1597-T1624 HydrophobicContact CD1-CG2 4.45Å; L1597-T1624 HydrophobicContact CD2-CG2 3.85Å; M1620-T1624 WeakPolarHBondContact O-CG2 3.47Å; M1620-T1624 PolarHBondContact O-N 3.08Å; M1620-T1624 VanDerWaalsContact O-N 3.1Å; M1620-T1624 PolarHBondContact O-OG1 2.82Å; I1621-T1624 PolarHBondContact O-N 2.91Å; I1621-T1624 PolarHBondContact O-OG1 2.87Å; T1624-V1627 PolarHBondContact O-N 2.88Å; T1624-I1628 VanDerWaalsContact O-CG1 3.29Å; T1624-I1628 WeakPolarHBondContact O-CG1 2.99Å; T1624-I1628 PolarHBondContact O-N 2.71Å; T1624-L1676 HydrophobicContact CG2-CD2 3.6Å; T1624-L1676 HydrophobicContact CG2-CG 4.02Å; T1624-L1680 HydrophobicContact CG2-CD1 4.02Å
1625E90.1Very high88.8Confident32 Ų3233.9 Ų33.915%0.1518%0.182CC..Hα-helixtrans-60.3-45.4171.6-71.4173.4167.700111.1L1158 I1621 I1628 V1629 L1677 F1681L1158-E1625 HydrophobicContact CD2-CG 4.45Å; I1621-E1625 HydrophobicContact CG2-CG 4.33Å; I1621-E1625 WeakPolarHBondContact O-CG 3.5Å; I1621-E1625 PolarHBondContact O-N 3.39Å; E1625-I1628 PolarHBondContact O-N 3.31Å; E1625-V1629 WeakPolarHBondContact O-CG2 3.44Å; E1625-V1629 PolarHBondContact O-N 3.26Å; E1625-L1677 HydrophobicContact CG-CD1 3.68Å; E1625-F1681 WeakPolarHBondContact OE1-CE2 3.46Å; E1625-F1681 WeakPolarHBondContact OE1-CZ 3.35Å
1626C89.1Confident88.6Confident71 Ų7128.1 Ų28.148%0.4816%0.156SC..Hα-helixtrans-63.1-43.2175.1-68.60000112.4T1622 Y1623 I1628 V1629 I1630T1622-C1626 WeakPolarHBondContact O-CB 3.47Å; T1622-C1626 PolarHBondContact O-N 2.94Å; T1622-C1626 PolarHBondContact O-SG 3.06Å; Y1623-C1626 PolarHBondContact O-N 3.35Å; C1626-I1628 PolarHBondContact O-N 2.87Å; C1626-V1629 PolarHBondContact O-N 3.01Å; C1626-I1630 WeakPolarHBondContact O-CB 3.4Å; C1626-I1630 WeakPolarHBondContact O-CG1 3.37Å; C1626-I1630 PolarHBondContact O-N 3.26Å
1627V89Confident88Confident2 Ų230 Ų301%0.01217%0.172CC..Hα-helixtrans-63.4-40177.7168.60000111.4I1593 Y1623 T1624 K1631I1593-V1627 HydrophobicContact CG2-CG1 4.49Å; I1593-V1627 HydrophobicContact CG2-CG2 3.85Å; Y1623-V1627 HydrophobicContact CD1-CG2 3.76Å; Y1623-V1627 HydrophobicContact CE1-CG2 3.49Å; Y1623-V1627 VanDerWaalsContact CE1-CG2 3.49Å; Y1623-V1627 WeakPolarHBondContact O-CB 3.48Å; Y1623-V1627 VanDerWaalsContact O-CG2 3.28Å; Y1623-V1627 WeakPolarHBondContact O-CG2 3.42Å; Y1623-V1627 PolarHBondContact O-N 3.36Å; T1624-V1627 PolarHBondContact O-N 2.88Å; V1627-K1631 HydrophobicContact CG1-CD 3.83Å; V1627-K1631 HydrophobicContact CG1-CG 4.27Å; V1627-K1631 VanDerWaalsContact O-CB 3.25Å; V1627-K1631 WeakPolarHBondContact O-CB 3.14Å; V1627-K1631 VanDerWaalsContact O-CG 3.24Å; V1627-K1631 WeakPolarHBondContact O-CG 3.21Å; V1627-K1631 PolarHBondContact O-N 3.24Å
1628I88.1Confident87.4Confident15 Ų1533.6 Ų33.68%0.07719%0.188CC..Hα-helixtrans-63.5-46.6175.8-70.1164.4000110.8T1624 E1625 C1626 K1631 F1632 D1673 I1674 L1677T1624-I1628 VanDerWaalsContact O-CG1 3.29Å; T1624-I1628 WeakPolarHBondContact O-CG1 2.99Å; T1624-I1628 PolarHBondContact O-N 2.71Å; E1625-I1628 PolarHBondContact O-N 3.31Å; C1626-I1628 PolarHBondContact O-N 2.87Å; I1628-K1631 PolarHBondContact O-N 3.39Å; I1628-F1632 VanDerWaalsContact O-CB 3.32Å; I1628-F1632 WeakPolarHBondContact O-CB 3.25Å; I1628-F1632 PolarHBondContact O-N 2.93Å; I1628-D1673 HydrophobicContact CD1-CB 4.07Å; I1628-D1673 HydrophobicContact CG1-CB 3.66Å; I1628-I1674 HydrophobicContact CD1-CG1 4.28Å; I1628-L1677 HydrophobicContact CD1-CB 4.23Å; I1628-L1677 HydrophobicContact CD1-CD2 3.88Å; I1628-L1677 HydrophobicContact CD1-CG 4.47Å
1629V86.5Confident87Confident61 Ų6133.7 Ų33.737%0.3719%0.186SC..Hα-helixtrans-65.7-44.4179.1174.50000111.5E1625 C1626 F1632 V1633E1625-V1629 WeakPolarHBondContact O-CG2 3.44Å; E1625-V1629 PolarHBondContact O-N 3.26Å; C1626-V1629 PolarHBondContact O-N 3.01Å; V1629-F1632 PolarHBondContact O-N 3.42Å; V1629-V1633 HydrophobicContact CG1-CG2 4.47Å; V1629-V1633 WeakPolarHBondContact O-CG2 3.28Å; V1629-V1633 PolarHBondContact O-N 2.97Å
1630I87.1Confident86.5Confident83 Ų8336.7 Ų36.743%0.42621%0.207SC..Hα-helixtrans-61.4-48.3176.3-70.3165.6000110.3C1626 F1632 V1633 C1634C1626-I1630 WeakPolarHBondContact O-CB 3.4Å; C1626-I1630 WeakPolarHBondContact O-CG1 3.37Å; C1626-I1630 PolarHBondContact O-N 3.26Å; I1630-F1632 VanDerWaalsContact C-N 3.35Å; I1630-F1632 PolarHBondContact O-N 3.36Å; I1630-V1633 PolarHBondContact O-N 3.46Å; I1630-C1634 VanDerWaalsContact O-CB 3.3Å; I1630-C1634 WeakPolarHBondContact O-CB 3.42Å; I1630-C1634 PolarHBondContact O-N 2.91Å; I1630-C1634 PolarHBondContact O-SG 3.03Å
1631K87Confident86Confident9 Ų939.1 Ų39.14%0.03922%0.216CC..Hα-helixtrans-60-43.4177.6-76.5175.8173.1173.40111.9V1627 I1628 C1634 Q1635 F1669 D1673V1627-K1631 HydrophobicContact CG1-CD 3.83Å; V1627-K1631 HydrophobicContact CG1-CG 4.27Å; V1627-K1631 VanDerWaalsContact O-CB 3.25Å; V1627-K1631 WeakPolarHBondContact O-CB 3.14Å; V1627-K1631 VanDerWaalsContact O-CG 3.24Å; V1627-K1631 WeakPolarHBondContact O-CG 3.21Å; V1627-K1631 PolarHBondContact O-N 3.24Å; I1628-K1631 PolarHBondContact O-N 3.39Å; K1631-C1634 CarbonylContact O-C 3.55Å; K1631-C1634 PolarHBondContact O-N 2.98Å; K1631-Q1635 WeakPolarHBondContact O-CG 3.46Å; K1631-Q1635 PolarHBondContact O-N 3.22Å; K1631-Q1635 VanDerWaalsContact O-N 3.1Å; K1631-F1669 HydrophobicContact CB-CD2 3.86Å; K1631-F1669 HydrophobicContact CB-CE2 4.22Å; K1631-D1673 IonicContact NZ-OD1 2.71Å; K1631-D1673 PolarHBondContact NZ-OD1 2.71Å; K1631-D1673 IonicContact NZ-OD2 2.66Å; K1631-D1673 PolarHBondContact NZ-OD2 3.11Å
1632F86.6Confident85.5Confident3 Ų339.3 Ų39.31%0.01322%0.217CC..Hα-helixtrans-60.5-50.2176.8-178.2-84.7000111.6A1150 L1151 I1154 I1628 V1629 I1630 C1634 Q1635 F1636 F1669A1150-F1632 HydrophobicContact CB-CE2 4.46Å; A1150-F1632 HydrophobicContact CB-CZ 4.31Å; L1151-F1632 HydrophobicContact CB-CE1 3.96Å; L1151-F1632 HydrophobicContact CB-CZ 4.19Å; L1151-F1632 HydrophobicContact CD1-CD1 3.94Å; L1151-F1632 HydrophobicContact CD1-CE1 3.73Å; L1151-F1632 HydrophobicContact CG-CE1 4.44Å; I1154-F1632 HydrophobicContact CD1-CD2 3.57Å; I1154-F1632 HydrophobicContact CD1-CE2 3.65Å; I1154-F1632 HydrophobicContact CD1-CG 4.19Å; I1154-F1632 HydrophobicContact CD1-CZ 4.33Å; I1628-F1632 VanDerWaalsContact O-CB 3.32Å; I1628-F1632 WeakPolarHBondContact O-CB 3.25Å; I1628-F1632 PolarHBondContact O-N 2.93Å; V1629-F1632 PolarHBondContact O-N 3.42Å; I1630-F1632 VanDerWaalsContact C-N 3.35Å; I1630-F1632 PolarHBondContact O-N 3.36Å; F1632-C1634 PolarHBondContact O-N 2.91Å; F1632-Q1635 PolarHBondContact O-N 3.06Å; F1632-F1636 HydrophobicContact CD1-CE2 4.49Å; F1632-F1636 HydrophobicContact CE1-CE2 4.2Å; F1632-F1636 HydrophobicContact CE1-CZ 4.19Å; F1632-F1669 HydrophobicContact CB-CE2 4.25Å; F1632-F1669 HydrophobicContact CB-CZ 4.43Å; F1632-F1669 HydrophobicContact CD2-CZ 4.09Å
1633V85.9Confident84.9Confident59 Ų5938.7 Ų38.736%0.35822%0.215SC..Hα-helixtrans-61.3-33.3176.6172.30000111.6V1629 I1630 Q1635 F1636 M1639V1629-V1633 HydrophobicContact CG1-CG2 4.47Å; V1629-V1633 WeakPolarHBondContact O-CG2 3.28Å; V1629-V1633 PolarHBondContact O-N 2.97Å; I1630-V1633 PolarHBondContact O-N 3.46Å; V1633-Q1635 VanDerWaalsContact C-N 3.34Å; V1633-F1636 WeakPolarHBondContact O-CD2 3.43Å; V1633-M1639 HydrophobicContact CG1-CE 4.13Å; V1633-M1639 WeakPolarHBondContact O-CE 3.2Å
1634C86.5Confident84.2Confident21 Ų2141.1 Ų41.114%0.14223%0.231CC..Hα-helixtrans-78.9-8.7176.6-70.50000114.9I1630 K1631 F1632 Y1641 N1642 V1663I1630-C1634 VanDerWaalsContact O-CB 3.3Å; I1630-C1634 WeakPolarHBondContact O-CB 3.42Å; I1630-C1634 PolarHBondContact O-N 2.91Å; I1630-C1634 PolarHBondContact O-SG 3.03Å; K1631-C1634 CarbonylContact O-C 3.55Å; K1631-C1634 PolarHBondContact O-N 2.98Å; F1632-C1634 PolarHBondContact O-N 2.91Å; C1634-Y1641 VanDerWaalsContact CB-OH 3.31Å; C1634-Y1641 WeakPolarHBondContact CB-OH 3.43Å; C1634-Y1641 PolarHBondContact O-OH 3.26Å; C1634-N1642 PolarHBondContact O-ND2 3.5Å; C1634-V1663 HydrophobicContact CB-CG1 3.32Å
1635Q84.7Confident83.6Confident7 Ų746.4 Ų46.43%0.03326%0.264CS..Hα-helixtrans-80-20172.9-66.1-51.1-78.700113.3T1146 K1631 F1632 V1633 A1637 N1642 Q1665 R1666 F1669T1146-Q1635 HydrophobicContact CG2-CB 3.73Å; T1146-Q1635 HydrophobicContact CG2-CG 4.41Å; K1631-Q1635 WeakPolarHBondContact O-CG 3.46Å; K1631-Q1635 PolarHBondContact O-N 3.22Å; K1631-Q1635 VanDerWaalsContact O-N 3.1Å; F1632-Q1635 PolarHBondContact O-N 3.06Å; V1633-Q1635 VanDerWaalsContact C-N 3.34Å; Q1635-A1637 PolarHBondContact O-N 3.18Å; Q1635-N1642 PolarHBondContact O-ND2 2.93Å; Q1635-Q1665 VanDerWaalsContact OE1-CA 3.28Å; Q1635-R1666 PolarHBondContact OE1-O 2.93Å; Q1635-F1669 HydrophobicContact CG-CB 4.37Å; Q1635-F1669 HydrophobicContact CG-CD1 3.57Å; Q1635-F1669 HydrophobicContact CG-CD2 3.9Å; Q1635-F1669 HydrophobicContact CG-CE1 3.73Å; Q1635-F1669 HydrophobicContact CG-CE2 4.02Å; Q1635-F1669 HydrophobicContact CG-CG 3.67Å; Q1635-F1669 HydrophobicContact CG-CZ 3.94Å
1636F82.9Confident83.4Confident16 Ų1648.8 Ų48.87%0.0727%0.271CS..SBendtrans-55135.8-177.9-80-71.7000111.9T1146 L1228 F1632 V1633 F1638 M1639 N1642T1146-F1636 WeakPolarHBondContact O-CD1 3.42Å; T1146-F1636 WeakPolarHBondContact O-CE1 3.49Å; T1146-F1636 WeakPolarHBondContact O-CZ 3.28Å; L1228-F1636 HydrophobicContact CD1-CE1 4.16Å; L1228-F1636 HydrophobicContact CD1-CZ 4.25Å; F1632-F1636 HydrophobicContact CD1-CE2 4.49Å; F1632-F1636 HydrophobicContact CE1-CE2 4.2Å; F1632-F1636 HydrophobicContact CE1-CZ 4.19Å; V1633-F1636 WeakPolarHBondContact O-CD2 3.43Å; F1636-F1638 HydrophobicContact CB-CD1 3.69Å; F1636-F1638 HydrophobicContact CB-CE1 3.34Å; F1636-F1638 HydrophobicContact CB-CE2 4.39Å; F1636-F1638 HydrophobicContact CB-CG 4.35Å; F1636-F1638 HydrophobicContact CB-CZ 3.72Å; F1636-F1638 HydrophobicContact CD1-CD1 4.41Å; F1636-F1638 AromaticContact CD1-CE1 3.86Å; F1636-F1638 HydrophobicContact CD1-CE1 3.86Å; F1636-F1638 AromaticContact CD2-CE1 3.94Å; F1636-F1638 HydrophobicContact CD2-CE1 3.94Å; F1636-F1638 HydrophobicContact CD2-CZ 4.02Å; F1636-F1638 HydrophobicContact CG-CD1 4.2Å; F1636-F1638 AromaticContact CG-CE1 3.47Å; F1636-F1638 HydrophobicContact CG-CE1 3.47Å; F1636-F1638 VanDerWaalsContact CG-CE1 3.47Å; F1636-F1638 AromaticContact CG-CZ 3.95Å; F1636-F1638 HydrophobicContact CG-CZ 3.95Å; F1636-F1638 PolarHBondContact O-N 3.23Å; F1636-M1639 PolarHBondContact O-N 3.18Å; F1636-N1642 PolarHBondContact O-ND2 3.2Å
1637A75.4Confident82.8Confident41 Ų4150.7 Ų50.734%0.33927%0.268SS..THydrogen-bonded Turntrans-66.8-16.1-174.800000114.6Q1635 M1639Q1635-A1637 PolarHBondContact O-N 3.18Å; A1637-M1639 VanDerWaalsContact C-N 3.25Å; A1637-M1639 PolarHBondContact O-N 3.28Å
1638F78.8Confident82.4Confident83 Ų8355 Ų5536%0.36430%0.295SS..THydrogen-bonded Turntrans-74.1-11.3175.363.7-106.9000113.9I1224 F1636I1224-F1638 HydrophobicContact CG1-CB 4.31Å; F1636-F1638 HydrophobicContact CB-CD1 3.69Å; F1636-F1638 HydrophobicContact CB-CE1 3.34Å; F1636-F1638 HydrophobicContact CB-CE2 4.39Å; F1636-F1638 HydrophobicContact CB-CG 4.35Å; F1636-F1638 HydrophobicContact CB-CZ 3.72Å; F1636-F1638 HydrophobicContact CD1-CD1 4.41Å; F1636-F1638 AromaticContact CD1-CE1 3.86Å; F1636-F1638 HydrophobicContact CD1-CE1 3.86Å; F1636-F1638 AromaticContact CD2-CE1 3.94Å; F1636-F1638 HydrophobicContact CD2-CE1 3.94Å; F1636-F1638 HydrophobicContact CD2-CZ 4.02Å; F1636-F1638 HydrophobicContact CG-CD1 4.2Å; F1636-F1638 AromaticContact CG-CE1 3.47Å; F1636-F1638 HydrophobicContact CG-CE1 3.47Å; F1636-F1638 VanDerWaalsContact CG-CE1 3.47Å; F1636-F1638 AromaticContact CG-CZ 3.95Å; F1636-F1638 HydrophobicContact CG-CZ 3.95Å; F1636-F1638 PolarHBondContact O-N 3.23Å
1639M81.6Confident82.1Confident40 Ų4061.4 Ų61.420%0.19733%0.325CS..SBendtrans-69.5129.7175.8-66.8-64.8-172.900110.2V1633 F1636 A1637 Y1641 N1642V1633-M1639 HydrophobicContact CG1-CE 4.13Å; V1633-M1639 WeakPolarHBondContact O-CE 3.2Å; F1636-M1639 PolarHBondContact O-N 3.18Å; A1637-M1639 VanDerWaalsContact C-N 3.25Å; A1637-M1639 PolarHBondContact O-N 3.28Å; M1639-Y1641 VanDerWaalsContact C-N 3.27Å; M1639-Y1641 HydrophobicContact CB-CD1 4.43Å; M1639-Y1641 HydrophobicContact CB-CE1 3.88Å; M1639-Y1641 HydrophobicContact CB-CE2 4.09Å; M1639-Y1641 HydrophobicContact CG-CE1 4.37Å; M1639-Y1641 PolarHBondContact O-N 3.4Å; M1639-Y1641 VanDerWaalsContact O-N 3.14Å; M1639-N1642 HydrophobicContact CB-CB 4.43Å; M1639-N1642 WeakPolarHBondContact O-CB 3.28Å; M1639-N1642 PolarHBondContact O-N 3.38Å
1640P79.6Confident81.8Confident101 Ų10160.6 Ų60.666%0.65632%0.317SS*.G310 helixtrans-63.3-28.9-168.622.7-33.5000114N1642 S1643P1640-N1642 VanDerWaalsContact C-N 3.33Å; P1640-S1643 WeakPolarHBondContact O-CB 3.14Å; P1640-S1643 PolarHBondContact O-N 2.97Å; P1640-S1643 PolarHBondContact O-OG 2.71Å
1641Y82.2Confident81.2Confident54 Ų5463.1 Ų63.121%0.21233%0.327CS..G310 helixtrans-78.9-13.1176.457.5-100.1000114C1634 M1639 S1643 D1658 V1663C1634-Y1641 VanDerWaalsContact CB-OH 3.31Å; C1634-Y1641 WeakPolarHBondContact CB-OH 3.43Å; C1634-Y1641 PolarHBondContact O-OH 3.26Å; M1639-Y1641 VanDerWaalsContact C-N 3.27Å; M1639-Y1641 HydrophobicContact CB-CD1 4.43Å; M1639-Y1641 HydrophobicContact CB-CE1 3.88Å; M1639-Y1641 HydrophobicContact CB-CE2 4.09Å; M1639-Y1641 HydrophobicContact CG-CE1 4.37Å; M1639-Y1641 PolarHBondContact O-N 3.4Å; M1639-Y1641 VanDerWaalsContact O-N 3.14Å; Y1641-S1643 VanDerWaalsContact C-N 3.31Å; Y1641-D1658 HydrophobicContact CD2-CB 4.45Å; Y1641-V1663 HydrophobicContact CE2-CG1 4.45Å
1642N79.7Confident80.4Confident7 Ų770.7 Ų70.74%0.03736%0.364CS..G310 helixtrans-83.5-11.3173.1-71.3-19.3000112C1634 Q1635 F1636 M1639 P1640 R1647C1634-N1642 PolarHBondContact O-ND2 3.5Å; Q1635-N1642 PolarHBondContact O-ND2 2.93Å; F1636-N1642 PolarHBondContact O-ND2 3.2Å; M1639-N1642 HydrophobicContact CB-CB 4.43Å; M1639-N1642 WeakPolarHBondContact O-CB 3.28Å; M1639-N1642 PolarHBondContact O-N 3.38Å; P1640-N1642 VanDerWaalsContact C-N 3.33Å; N1642-R1647 PolarHBondContact O-NH2 2.81Å
1643S78.2Confident80Confident39 Ų3973.4 Ų73.427%0.27338%0.379SS..SBendtrans-55.7148.5175.378.30000111.3P1640 Y1641 T1645 W1646 R1647P1640-S1643 WeakPolarHBondContact O-CB 3.14Å; P1640-S1643 PolarHBondContact O-N 2.97Å; P1640-S1643 PolarHBondContact O-OG 2.71Å; Y1641-S1643 VanDerWaalsContact C-N 3.31Å; S1643-T1645 PolarHBondContact O-N 3.46Å; S1643-T1645 PolarHBondContact OG-OG1 2.68Å; S1643-W1646 PolarHBondContact O-N 3.46Å; S1643-W1646 WeakPolarHBondContact OG-CB 3.42Å; S1643-W1646 PolarHBondContact OG-N 2.96Å; S1643-W1646 VanDerWaalsContact OG-N 3.17Å; S1643-R1647 PolarHBondContact O-N 3.28Å
1644I77Confident79.4Confident120 Ų12071.4 Ų71.462%0.61537%0.367SS*.Hα-helixtrans-59.5-40178.2-61.6171000109.8R1647 T1648I1644-R1647 PolarHBondContact O-N 3.43Å; I1644-T1648 PolarHBondContact O-N 2.87Å; I1644-T1648 VanDerWaalsContact O-N 3.14Å; I1644-T1648 PolarHBondContact O-OG1 3.43Å; I1644-T1648 VanDerWaalsContact O-OG1 3.14Å
1645T80.5Confident78.9Confident110 Ų11074 Ų7468%0.67538%0.378SS*.Hα-helixtrans-59.9-49.6179.648.80000113.2S1643 R1647 T1648 E1649S1643-T1645 PolarHBondContact O-N 3.46Å; S1643-T1645 PolarHBondContact OG-OG1 2.68Å; T1645-R1647 VanDerWaalsContact C-N 3.33Å; T1645-R1647 PolarHBondContact O-N 2.87Å; T1645-T1648 PolarHBondContact O-N 2.93Å; T1645-E1649 PolarHBondContact O-N 2.75Å
1646W84.5Confident78.7Confident82 Ų8274 Ų7431%0.31138%0.379SS..Hα-helixtrans-61.5-43.3179.8179.2-87.1000111.8S1643 T1648 E1649 H1650S1643-W1646 PolarHBondContact O-N 3.46Å; S1643-W1646 WeakPolarHBondContact OG-CB 3.42Å; S1643-W1646 PolarHBondContact OG-N 2.96Å; S1643-W1646 VanDerWaalsContact OG-N 3.17Å; W1646-T1648 PolarHBondContact O-N 3.42Å; W1646-E1649 PolarHBondContact O-N 2.91Å; W1646-H1650 AromaticContact CD2-ND1 3.77Å; W1646-H1650 AromaticContact CE2-ND1 3.78Å; W1646-H1650 AromaticContact CE3-CE1 3.91Å; W1646-H1650 AromaticContact CH2-CE1 3.9Å; W1646-H1650 AromaticContact CZ3-CE1 3.84Å; W1646-H1650 PolarHBondContact O-N 3.2Å; W1646-H1650 PolarHBondContact O-ND1 3Å
1647R77.4Confident78.6Confident111 Ų11178.6 Ų78.642%0.41940%0.403SS..Hα-helixtrans-65.3-38.4-175.9-160.3-173.5-46.3-162.73.8112.5N1642 S1643 I1644 T1645 Q1651N1642-R1647 PolarHBondContact O-NH2 2.81Å; S1643-R1647 PolarHBondContact O-N 3.28Å; I1644-R1647 PolarHBondContact O-N 3.43Å; T1645-R1647 VanDerWaalsContact C-N 3.33Å; T1645-R1647 PolarHBondContact O-N 2.87Å; R1647-Q1651 WeakPolarHBondContact O-CB 3.32Å; R1647-Q1651 PolarHBondContact O-N 3.41Å
1648T79.7Confident78.9Confident93 Ų9377.6 Ų77.657%0.57139%0.392SS*.Hα-helixtrans-70.5-46176.8-58.20000111.6I1644 T1645 W1646 H1650 Q1651I1644-T1648 PolarHBondContact O-N 2.87Å; I1644-T1648 VanDerWaalsContact O-N 3.14Å; I1644-T1648 PolarHBondContact O-OG1 3.43Å; I1644-T1648 VanDerWaalsContact O-OG1 3.14Å; T1645-T1648 PolarHBondContact O-N 2.93Å; W1646-T1648 PolarHBondContact O-N 3.42Å; T1648-H1650 PolarHBondContact O-N 3.36Å; T1648-Q1651 PolarHBondContact O-N 3.27Å
1649E81.6Confident78.8Confident150 Ų15076 Ų7670%0.70139%0.385SS*.Hα-helixtrans-60.4-45.6-180-176.4176.8-154.900111.9T1645 W1646 Q1651T1645-E1649 PolarHBondContact O-N 2.75Å; W1646-E1649 PolarHBondContact O-N 2.91Å; E1649-Q1651 PolarHBondContact O-N 2.85Å
1650H81.6Confident78.8Confident43 Ų4376.1 Ų76.120%0.19939%0.387CS..THydrogen-bonded Turntrans-92.410.1-174.8-65.381000113.7W1646 T1648 M1652 D1653 K1659W1646-H1650 AromaticContact CD2-ND1 3.77Å; W1646-H1650 AromaticContact CE2-ND1 3.78Å; W1646-H1650 AromaticContact CE3-CE1 3.91Å; W1646-H1650 AromaticContact CH2-CE1 3.9Å; W1646-H1650 AromaticContact CZ3-CE1 3.84Å; W1646-H1650 PolarHBondContact O-N 3.2Å; W1646-H1650 PolarHBondContact O-ND1 3Å; T1648-H1650 PolarHBondContact O-N 3.36Å; H1650-M1652 PolarHBondContact O-N 3.12Å; H1650-D1653 PolarHBondContact O-N 3.04Å; H1650-K1659 PolarHBondContact O-NZ 3.5Å
1651Q74.5Confident79Confident136 Ų13676 Ų7664%0.63638%0.376SS*.THydrogen-bonded Turntrans-59.6-43.4-171.1-172.9172.8-13.700113.7R1647 T1648 E1649 K1659R1647-Q1651 WeakPolarHBondContact O-CB 3.32Å; R1647-Q1651 PolarHBondContact O-N 3.41Å; T1648-Q1651 PolarHBondContact O-N 3.27Å; E1649-Q1651 PolarHBondContact O-N 2.85Å; Q1651-K1659 PolarHBondContact O-NZ 3.29Å
1652M70.1Confident78.8Confident168 Ų16874.2 Ų74.283%0.82837%0.373SS*.THydrogen-bonded Turntrans-83.7-14.9-176.7-69.7-64.6-168.100114.5H1650 P1654H1650-M1652 PolarHBondContact O-N 3.12Å; M1652-P1654 VanDerWaalsContact O-CD 3.3Å; M1652-P1654 WeakPolarHBondContact O-CD 3.47Å
1653D77.7Confident78.8Confident61 Ų6174.6 Ų74.633%0.32638%0.376SS..  trans-81.8117179.9-172.52.3000110.8H1650 M1655 K1659H1650-D1653 PolarHBondContact O-N 3.04Å; D1653-M1655 PolarHBondContact O-N 2.78Å; D1653-M1655 PolarHBondContact OD1-N 3.37Å; D1653-K1659 PolarHBondContact O-NZ 2.8Å
1654P72.3Confident78.7Confident16 Ų1673.8 Ų73.810%0.10437%0.371CS..THydrogen-bonded Turntrans-72.1-14.9174.430.3-34.9000113.4M1652 P1880M1652-P1654 VanDerWaalsContact O-CD 3.3Å; M1652-P1654 WeakPolarHBondContact O-CD 3.47Å; P1654-P1880 HydrophobicContact CB-CB 4.1Å
1655M77Confident78.8Confident77 Ų7770.3 Ų70.338%0.37935%0.352SS..THydrogen-bonded Turntrans-100.48.2-174-61.4-65.5-7600113.8D1653D1653-M1655 PolarHBondContact O-N 2.78Å; D1653-M1655 PolarHBondContact OD1-N 3.37Å
1656S80.6Confident78.5Confident6 Ų669.7 Ų69.74%0.04234%0.337CS..  trans-61.2142.5176.573.20000111.6D1658 K1659 L1660S1656-D1658 VanDerWaalsContact C-N 3.28Å; S1656-D1658 VanDerWaalsContact CB-OD1 3.24Å; S1656-D1658 WeakPolarHBondContact CB-OD1 3.37Å; S1656-D1658 PolarHBondContact O-N 2.73Å; S1656-D1658 PolarHBondContact OG-OD1 3.2Å; S1656-K1659 PolarHBondContact O-N 2.83Å; S1656-K1659 WeakPolarHBondContact OG-CD 3.42Å; S1656-K1659 WeakPolarHBondContact OG-CE 3.47Å; S1656-K1659 WeakPolarHBondContact OG-CG 3.4Å; S1656-L1660 WeakPolarHBondContact O-CB 3.5Å; S1656-L1660 PolarHBondContact O-N 2.76Å
1657L81.6Confident78Confident112 Ų11272.4 Ų72.459%0.58636%0.357SS*.Hα-helixtrans-56.9-38-170.6-69.1174.9000113.5K1659 L1660 F1661L1657-K1659 PolarHBondContact O-N 3.31Å; L1657-L1660 PolarHBondContact O-N 3.49Å; L1657-F1661 HydrophobicContact CD2-CE2 4.38Å; L1657-F1661 VanDerWaalsContact O-CD2 3.31Å; L1657-F1661 WeakPolarHBondContact O-CD2 3.4Å; L1657-F1661 PolarHBondContact O-N 3.06Å
1658D80.4Confident78Confident21 Ų2171.1 Ų71.111%0.11237%0.365CS..Hα-helixtrans-64.8-36.3177.965.5-61.7000112.7Y1641 S1656 G1662 V1663 S1664Y1641-D1658 HydrophobicContact CD2-CB 4.45Å; S1656-D1658 VanDerWaalsContact C-N 3.28Å; S1656-D1658 VanDerWaalsContact CB-OD1 3.24Å; S1656-D1658 WeakPolarHBondContact CB-OD1 3.37Å; S1656-D1658 PolarHBondContact O-N 2.73Å; S1656-D1658 PolarHBondContact OG-OD1 3.2Å; D1658-G1662 PolarHBondContact O-N 2.94Å; D1658-V1663 PolarHBondContact O-N 3.33Å; D1658-S1664 PolarHBondContact O-N 3.28Å; D1658-S1664 WeakPolarHBondContact OD2-CB 3.39Å
1659K77.9Confident77.9Confident49 Ų4967.9 Ų67.921%0.21334%0.344CS..Hα-helixtrans-80-40.9176.3-64.2176.8-156.3162.90111.5H1650 Q1651 D1653 S1656 L1657 G1662H1650-K1659 PolarHBondContact O-NZ 3.5Å; Q1651-K1659 PolarHBondContact O-NZ 3.29Å; D1653-K1659 PolarHBondContact O-NZ 2.8Å; S1656-K1659 PolarHBondContact O-N 2.83Å; S1656-K1659 WeakPolarHBondContact OG-CD 3.42Å; S1656-K1659 WeakPolarHBondContact OG-CE 3.47Å; S1656-K1659 WeakPolarHBondContact OG-CG 3.4Å; L1657-K1659 PolarHBondContact O-N 3.31Å; K1659-G1662 PolarHBondContact O-N 3.46Å; K1659-G1662 VanDerWaalsContact O-N 3.14Å
1660L80.6Confident77.7Confident43 Ų4360.9 Ų60.923%0.22531%0.312CS..Hα-helixtrans-61.1-44.8179.2-176.265.9000111.6L1592 S1656 L1657 L1877L1592-L1660 WeakPolarHBondContact CB-O 3.41Å; L1592-L1660 HydrophobicContact CD1-CD1 3.83Å; L1592-L1660 HydrophobicContact CD1-CD2 4.42Å; L1592-L1660 HydrophobicContact CD1-CG 3.87Å; L1592-L1660 PolarHBondContact N-O 3.35Å; S1656-L1660 WeakPolarHBondContact O-CB 3.5Å; S1656-L1660 PolarHBondContact O-N 2.76Å; L1657-L1660 PolarHBondContact O-N 3.49Å; L1660-L1877 HydrophobicContact CD1-CD2 4.25Å
1661F83.9Confident77.7Confident99 Ų9963 Ų6343%0.43432%0.324SS..Hα-helixtrans-77-21.7174.5-75.6-65.9000113.5G1591 L1592 I1593 L1657 V1663G1591-F1661 WeakPolarHBondContact CA-O 3.38Å; L1592-F1661 HydrophobicContact CB-CD1 4.21Å; I1593-F1661 HydrophobicContact CD1-CB 4.12Å; I1593-F1661 HydrophobicContact CD1-CD1 4.42Å; I1593-F1661 HydrophobicContact CG1-CB 4.21Å; I1593-F1661 HydrophobicContact CG1-CD1 4Å; I1593-F1661 WeakPolarHBondContact CG1-O 3.3Å; I1593-F1661 PolarHBondContact N-O 3.02Å; L1657-F1661 HydrophobicContact CD2-CE2 4.38Å; L1657-F1661 VanDerWaalsContact O-CD2 3.31Å; L1657-F1661 WeakPolarHBondContact O-CD2 3.4Å; L1657-F1661 PolarHBondContact O-N 3.06Å; F1661-V1663 HydrophobicContact CB-CG2 3.77Å
1662G77.6Confident78.3Confident15 Ų1560.6 Ų60.616%0.15531%0.309CS..THydrogen-bonded Turntrans81.636.7-177.700000113.6D1658 K1659D1658-G1662 PolarHBondContact O-N 2.94Å; K1659-G1662 PolarHBondContact O-N 3.46Å; K1659-G1662 VanDerWaalsContact O-N 3.14Å
1663V81.1Confident79.1Confident15 Ų1552.6 Ų52.69%0.09127%0.27CS..  trans-115.5-3.3-168-178.60000112.8I1593 C1634 Y1641 D1658 F1661I1593-V1663 HydrophobicContact CD1-CG2 3.5Å; I1593-V1663 VanDerWaalsContact CD1-CG2 3.5Å; C1634-V1663 HydrophobicContact CB-CG1 3.32Å; Y1641-V1663 HydrophobicContact CE2-CG1 4.45Å; D1658-V1663 PolarHBondContact O-N 3.33Å; F1661-V1663 HydrophobicContact CB-CG2 3.77Å
1664S76.1Confident79.6Confident23 Ų2350.5 Ų50.516%0.16126%0.258CS..  trans-53143.317752.40000114.1D1658 R1666D1658-S1664 PolarHBondContact O-N 3.28Å; D1658-S1664 WeakPolarHBondContact OD2-CB 3.39Å; S1664-R1666 PolarHBondContact O-N 3.32Å
1665Q77.4Confident80.3Confident47 Ų4752.1 Ų52.122%0.2227%0.268CS..  trans-60.4128.9177.5-168.2-174.9-4.100111.3E1254 Q1635E1254-Q1665 PolarHBondContact OE1-NE2 3.05Å; Q1635-Q1665 VanDerWaalsContact OE1-CA 3.28Å
1666R75.8Confident81Confident96 Ų9648.5 Ų48.536%0.36225%0.25SC..  trans-151138178.2-65.9-174.8-177.4-175.8-0.5111.6M1588 Q1635 S1664 S1668 F1669M1588-R1666 PolarHBondContact O-NH1 3.42Å; Q1635-R1666 PolarHBondContact OE1-O 2.93Å; S1664-R1666 PolarHBondContact O-N 3.32Å; R1666-S1668 PolarHBondContact O-N 2.96Å; R1666-F1669 HydrophobicContact CB-CB 4.37Å; R1666-F1669 WeakPolarHBondContact O-CB 3.28Å; R1666-F1669 WeakPolarHBondContact O-CD1 3.48Å; R1666-F1669 PolarHBondContact O-N 2.93Å; R1666-F1669 VanDerWaalsContact O-N 3.12Å
1667D73.8Confident81.4Confident139 Ų13948.3 Ų48.374%0.74325%0.248SC*.THydrogen-bonded Turntrans-51.2-24.4176.2-59.741.8000114.8K1256K1256-D1667 IonicContact NZ-OD2 3.89Å
1668S76.2Confident81.7Confident84 Ų8445.5 Ų45.559%0.58723%0.231SC*.THydrogen-bonded Turntrans-129.439-178.1-60.90000112.9R1666 A1670R1666-S1668 PolarHBondContact O-N 2.96Å; S1668-A1670 VanDerWaalsContact C-N 3.3Å; S1668-A1670 PolarHBondContact O-N 3.41Å
1669F77.7Confident82.1Confident26 Ų2645.1 Ų45.111%0.11423%0.23CC..THydrogen-bonded Turntrans-55.2-31.6-171.367.9-87.3000116.3K1631 F1632 Q1635 R1666K1631-F1669 HydrophobicContact CB-CD2 3.86Å; K1631-F1669 HydrophobicContact CB-CE2 4.22Å; F1632-F1669 HydrophobicContact CB-CE2 4.25Å; F1632-F1669 HydrophobicContact CB-CZ 4.43Å; F1632-F1669 HydrophobicContact CD2-CZ 4.09Å; Q1635-F1669 HydrophobicContact CG-CB 4.37Å; Q1635-F1669 HydrophobicContact CG-CD1 3.57Å; Q1635-F1669 HydrophobicContact CG-CD2 3.9Å; Q1635-F1669 HydrophobicContact CG-CE1 3.73Å; Q1635-F1669 HydrophobicContact CG-CE2 4.02Å; Q1635-F1669 HydrophobicContact CG-CG 3.67Å; Q1635-F1669 HydrophobicContact CG-CZ 3.94Å; R1666-F1669 HydrophobicContact CB-CB 4.37Å; R1666-F1669 WeakPolarHBondContact O-CB 3.28Å; R1666-F1669 WeakPolarHBondContact O-CD1 3.48Å; R1666-F1669 PolarHBondContact O-N 2.93Å; R1666-F1669 VanDerWaalsContact O-N 3.12Å
1670A77.8Confident82.7Confident3 Ų342.8 Ų42.83%0.02522%0.22CC..THydrogen-bonded Turntrans-114.60-172.400000115.8S1668 W1672 D1673 I1674S1668-A1670 VanDerWaalsContact C-N 3.3Å; S1668-A1670 PolarHBondContact O-N 3.41Å; A1670-W1672 VanDerWaalsContact C-N 3.34Å; A1670-W1672 PolarHBondContact O-N 3.08Å; A1670-D1673 WeakPolarHBondContact CA-OD2 3.41Å; A1670-D1673 WeakPolarHBondContact O-CB 3.29Å; A1670-D1673 PolarHBondContact O-N 3.49Å; A1670-I1674 HydrophobicContact CB-CD1 3.82Å; A1670-I1674 HydrophobicContact CB-CG1 4.33Å; A1670-I1674 VanDerWaalsContact O-CD1 3.32Å; A1670-I1674 WeakPolarHBondContact O-CD1 3.48Å; A1670-I1674 WeakPolarHBondContact O-CG1 3.48Å; A1670-I1674 PolarHBondContact O-N 2.91Å
1671L81.7Confident83.1Confident88 Ų8841.2 Ų41.246%0.46121%0.212SC..Hα-helixtrans-56-44.6-167.6-177.3148.8000113.2I1674 V1675L1671-I1674 PolarHBondContact O-N 2.84Å; L1671-V1675 HydrophobicContact CD2-CG2 4.39Å; L1671-V1675 WeakPolarHBondContact O-CG2 3.38Å; L1671-V1675 PolarHBondContact O-N 2.91Å
1672W87.2Confident83.3Confident85 Ų8540.3 Ų40.332%0.32221%0.208SC..Hα-helixtrans-71.9-34.4178.9-67.7103.3000112.8F1581 M1584 M1588 A1670 I1674 V1675 L1676F1581-W1672 HydrophobicContact CD1-CZ3 4.48Å; M1584-W1672 HydrophobicContact CB-CE3 4.21Å; M1584-W1672 HydrophobicContact CB-CZ3 4.38Å; M1588-W1672 HydrophobicContact CB-CG 4.26Å; M1588-W1672 HydrophobicContact CE-CZ2 4.23Å; M1588-W1672 HydrophobicContact CG-CD2 4.28Å; M1588-W1672 HydrophobicContact CG-CG 4.24Å; M1588-W1672 HydrophobicContact CG-CZ2 4.4Å; A1670-W1672 VanDerWaalsContact C-N 3.34Å; A1670-W1672 PolarHBondContact O-N 3.08Å; W1672-I1674 VanDerWaalsContact C-N 3.3Å; W1672-I1674 PolarHBondContact O-N 3.11Å; W1672-V1675 PolarHBondContact O-N 3.26Å; W1672-L1676 WeakPolarHBondContact O-CB 3.33Å; W1672-L1676 PolarHBondContact O-N 3.36Å
1673D87.3Confident83.8Confident0 Ų040.1 Ų40.10%020%0.203CC..Hα-helixtrans-63.9-36.8173.2-49-90.8000111.2T1585 I1628 K1631 A1670 L1676 L1677T1585-D1673 WeakPolarHBondContact CG2-OD1 3.21Å; I1628-D1673 HydrophobicContact CD1-CB 4.07Å; I1628-D1673 HydrophobicContact CG1-CB 3.66Å; K1631-D1673 IonicContact NZ-OD1 2.71Å; K1631-D1673 PolarHBondContact NZ-OD1 2.71Å; K1631-D1673 IonicContact NZ-OD2 2.66Å; K1631-D1673 PolarHBondContact NZ-OD2 3.11Å; A1670-D1673 WeakPolarHBondContact CA-OD2 3.41Å; A1670-D1673 WeakPolarHBondContact O-CB 3.29Å; A1670-D1673 PolarHBondContact O-N 3.49Å; D1673-L1676 PolarHBondContact O-N 3.09Å; D1673-L1677 VanDerWaalsContact O-CB 3.31Å; D1673-L1677 WeakPolarHBondContact O-CB 3.41Å; D1673-L1677 PolarHBondContact O-N 3.39Å
1674I86.9Confident84.2Confident17 Ų1740 Ų409%0.08720%0.201CC..Hα-helixtrans-71.3-40.7176.7-64.6151.3000111.6L1139 I1143 I1628 A1670 L1671 W1672 L1676 L1677 F1678L1139-I1674 HydrophobicContact CD2-CG2 4.12Å; I1143-I1674 HydrophobicContact CD1-CD1 3.31Å; I1143-I1674 HydrophobicContact CD1-CG1 4.12Å; I1143-I1674 HydrophobicContact CD1-CG2 4.45Å; I1143-I1674 HydrophobicContact CG1-CD1 3.8Å; I1143-I1674 HydrophobicContact CG2-CD1 4.05Å; I1628-I1674 HydrophobicContact CD1-CG1 4.28Å; A1670-I1674 HydrophobicContact CB-CD1 3.82Å; A1670-I1674 HydrophobicContact CB-CG1 4.33Å; A1670-I1674 VanDerWaalsContact O-CD1 3.32Å; A1670-I1674 WeakPolarHBondContact O-CD1 3.48Å; A1670-I1674 WeakPolarHBondContact O-CG1 3.48Å; A1670-I1674 PolarHBondContact O-N 2.91Å; L1671-I1674 PolarHBondContact O-N 2.84Å; W1672-I1674 VanDerWaalsContact C-N 3.3Å; W1672-I1674 PolarHBondContact O-N 3.11Å; I1674-L1676 VanDerWaalsContact C-N 3.32Å; I1674-L1677 WeakPolarHBondContact O-CB 3.31Å; I1674-L1677 PolarHBondContact O-N 3.11Å; I1674-F1678 HydrophobicContact CG2-CD2 3.77Å; I1674-F1678 HydrophobicContact CG2-CE2 3.39Å; I1674-F1678 HydrophobicContact CG2-CZ 4.23Å; I1674-F1678 VanDerWaalsContact O-CD2 3.29Å; I1674-F1678 WeakPolarHBondContact O-CD2 3.45Å; I1674-F1678 PolarHBondContact O-N 3.46Å
1675V87.8Confident84.6Confident50 Ų5040.2 Ų40.230%0.30320%0.198SC..Hα-helixtrans-62.2-42.4172.8170.80000110.5F1581 L1671 W1672 F1678 S1679F1581-V1675 HydrophobicContact CD1-CG1 3.74Å; F1581-V1675 HydrophobicContact CD2-CG1 4.27Å; F1581-V1675 HydrophobicContact CE1-CG1 3.65Å; F1581-V1675 HydrophobicContact CE2-CG1 4.19Å; F1581-V1675 HydrophobicContact CG-CG1 4.07Å; F1581-V1675 HydrophobicContact CZ-CG1 3.88Å; L1671-V1675 HydrophobicContact CD2-CG2 4.39Å; L1671-V1675 WeakPolarHBondContact O-CG2 3.38Å; L1671-V1675 PolarHBondContact O-N 2.91Å; W1672-V1675 PolarHBondContact O-N 3.26Å; V1675-F1678 PolarHBondContact O-N 3.41Å; V1675-S1679 WeakPolarHBondContact O-CB 3.38Å; V1675-S1679 PolarHBondContact O-N 3.34Å
1676L91.1Very high84.9Confident0 Ų038.6 Ų38.60%019%0.191CC..Hα-helixtrans-62.6-44.2173.3179.958.9000111.5C1578 F1581 A1582 L1597 M1620 T1624 W1672 D1673 I1674 F1678 S1679 L1680C1578-L1676 WeakPolarHBondContact O-CD1 3.39Å; F1581-L1676 HydrophobicContact CB-CB 4.27Å; F1581-L1676 HydrophobicContact CB-CD1 3.8Å; A1582-L1676 HydrophobicContact CB-CD1 4.36Å; A1582-L1676 HydrophobicContact CB-CD2 4.39Å; L1597-L1676 HydrophobicContact CD1-CD2 4.13Å; L1597-L1676 HydrophobicContact CD2-CD2 4.34Å; M1620-L1676 HydrophobicContact CE-CD1 4.03Å; T1624-L1676 HydrophobicContact CG2-CD2 3.6Å; T1624-L1676 HydrophobicContact CG2-CG 4.02Å; W1672-L1676 WeakPolarHBondContact O-CB 3.33Å; W1672-L1676 PolarHBondContact O-N 3.36Å; D1673-L1676 PolarHBondContact O-N 3.09Å; I1674-L1676 VanDerWaalsContact C-N 3.32Å; L1676-F1678 PolarHBondContact O-N 3.01Å; L1676-S1679 WeakPolarHBondContact O-CB 3.46Å; L1676-S1679 PolarHBondContact O-N 2.87Å; L1676-L1680 HydrophobicContact CD1-CD1 4.17Å; L1676-L1680 HydrophobicContact CD1-CG 4.24Å; L1676-L1680 HydrophobicContact CG-CD1 3.97Å; L1676-L1680 HydrophobicContact CG-CG 4.5Å; L1676-L1680 WeakPolarHBondContact O-CB 3.12Å; L1676-L1680 VanDerWaalsContact O-CG 3.25Å; L1676-L1680 WeakPolarHBondContact O-CG 3.45Å; L1676-L1680 PolarHBondContact O-N 3.02Å
1677L90.4Very high85.2Confident2 Ų235.1 Ų35.11%0.0118%0.179CC..Hα-helixtrans-57-48.7175.7-17270.4000111.1L1158 E1625 I1628 D1673 I1674 L1680 F1681L1158-L1677 HydrophobicContact CD2-CD2 3.9Å; E1625-L1677 HydrophobicContact CG-CD1 3.68Å; I1628-L1677 HydrophobicContact CD1-CB 4.23Å; I1628-L1677 HydrophobicContact CD1-CD2 3.88Å; I1628-L1677 HydrophobicContact CD1-CG 4.47Å; D1673-L1677 VanDerWaalsContact O-CB 3.31Å; D1673-L1677 WeakPolarHBondContact O-CB 3.41Å; D1673-L1677 PolarHBondContact O-N 3.39Å; I1674-L1677 WeakPolarHBondContact O-CB 3.31Å; I1674-L1677 PolarHBondContact O-N 3.11Å; L1677-L1680 PolarHBondContact O-N 2.81Å; L1677-F1681 HydrophobicContact CD1-CD2 4.01Å; L1677-F1681 HydrophobicContact CD1-CE2 3.75Å; L1677-F1681 HydrophobicContact CG-CD2 3.96Å; L1677-F1681 HydrophobicContact CG-CE2 4.06Å; L1677-F1681 WeakPolarHBondContact O-CD2 3.44Å; L1677-F1681 PolarHBondContact O-N 3.22Å
1678F87.3Confident85.5Confident53 Ų5332.3 Ų32.323%0.23216%0.158CC..Hα-helixtrans-67.7-35.2176.8-69.5-45.5000113.4M1136 L1139 L1161 I1674 V1675 L1676 L1680 F1681 F1682M1136-F1678 HydrophobicContact CE-CD1 4.01Å; M1136-F1678 HydrophobicContact CE-CE1 3.15Å; M1136-F1678 HydrophobicContact CE-CE2 4.47Å; M1136-F1678 HydrophobicContact CE-CZ 3.43Å; M1136-F1678 VanDerWaalsContact CE-CZ 3.43Å; M1136-F1678 HydrophobicContact CG-CE1 4.16Å; M1136-F1678 HydrophobicContact CG-CE2 3.76Å; M1136-F1678 HydrophobicContact CG-CZ 3.55Å; M1136-F1678 HydrophobicContact SD-CD1 3.96Å; M1136-F1678 HydrophobicContact SD-CE1 3.54Å; M1136-F1678 VanDerWaalsContact SD-CE1 3.54Å; M1136-F1678 HydrophobicContact SD-CE2 4.11Å; M1136-F1678 HydrophobicContact SD-CG 4.46Å; M1136-F1678 HydrophobicContact SD-CZ 3.6Å; M1136-F1678 VanDerWaalsContact SD-CZ 3.6Å; L1139-F1678 HydrophobicContact CD2-CE1 4.29Å; L1139-F1678 HydrophobicContact CD2-CE2 4.05Å; L1139-F1678 HydrophobicContact CD2-CZ 3.44Å; L1139-F1678 VanDerWaalsContact CD2-CZ 3.44Å; L1161-F1678 HydrophobicContact CD1-CE1 4.27Å; L1161-F1678 HydrophobicContact CD2-CE1 4.13Å; I1674-F1678 HydrophobicContact CG2-CD2 3.77Å; I1674-F1678 HydrophobicContact CG2-CE2 3.39Å; I1674-F1678 HydrophobicContact CG2-CZ 4.23Å; I1674-F1678 VanDerWaalsContact O-CD2 3.29Å; I1674-F1678 WeakPolarHBondContact O-CD2 3.45Å; I1674-F1678 PolarHBondContact O-N 3.46Å; V1675-F1678 PolarHBondContact O-N 3.41Å; L1676-F1678 PolarHBondContact O-N 3.01Å; F1678-L1680 VanDerWaalsContact C-N 3.33Å; F1678-F1681 PolarHBondContact O-N 3.38Å; F1678-F1682 VanDerWaalsContact O-CB 3.22Å; F1678-F1682 WeakPolarHBondContact O-CB 3.48Å; F1678-F1682 PolarHBondContact O-N 2.99Å
1679S89Confident85.6Confident13 Ų1332 Ų329%0.09115%0.146CC..Hα-helixtrans-61.3-43.1171.9-168.80000111.3C1578 V1675 L1676 F1682 H1683C1578-S1679 PolarHBondContact SG-OG 3.29Å; C1578-S1679 VanDerWaalsContact SG-OG 3.38Å; V1675-S1679 WeakPolarHBondContact O-CB 3.38Å; V1675-S1679 PolarHBondContact O-N 3.34Å; L1676-S1679 WeakPolarHBondContact O-CB 3.46Å; L1676-S1679 PolarHBondContact O-N 2.87Å; S1679-F1682 PolarHBondContact O-N 2.9Å; S1679-H1683 WeakPolarHBondContact O-CB 3.29Å; S1679-H1683 PolarHBondContact O-N 3.2Å
1680L90.8Very high85.6Confident1 Ų132 Ų321%0.00515%0.147CC..Hα-helixtrans-67.6-40.5176.7-70.2165.7000112.8C1578 W1617 M1620 I1621 T1624 L1676 L1677 F1678 H1683 R1684C1578-L1680 HydrophobicContact CB-CD2 4.15Å; W1617-L1680 HydrophobicContact CE3-CD2 3.7Å; W1617-L1680 HydrophobicContact CZ3-CD2 3.75Å; M1620-L1680 HydrophobicContact CB-CD2 4.38Å; M1620-L1680 HydrophobicContact CE-CD2 3.99Å; M1620-L1680 HydrophobicContact CG-CD1 4.02Å; M1620-L1680 HydrophobicContact CG-CD2 3.89Å; M1620-L1680 HydrophobicContact SD-CD2 3.71Å; I1621-L1680 HydrophobicContact CD1-CB 4.37Å; I1621-L1680 HydrophobicContact CG1-CB 3.71Å; I1621-L1680 HydrophobicContact CG1-CD1 4.2Å; I1621-L1680 HydrophobicContact CG1-CG 4.37Å; T1624-L1680 HydrophobicContact CG2-CD1 4.02Å; L1676-L1680 HydrophobicContact CD1-CD1 4.17Å; L1676-L1680 HydrophobicContact CD1-CG 4.24Å; L1676-L1680 HydrophobicContact CG-CD1 3.97Å; L1676-L1680 HydrophobicContact CG-CG 4.5Å; L1676-L1680 WeakPolarHBondContact O-CB 3.12Å; L1676-L1680 VanDerWaalsContact O-CG 3.25Å; L1676-L1680 WeakPolarHBondContact O-CG 3.45Å; L1676-L1680 PolarHBondContact O-N 3.02Å; L1677-L1680 PolarHBondContact O-N 2.81Å; F1678-L1680 VanDerWaalsContact C-N 3.33Å; L1680-H1683 PolarHBondContact O-N 2.98Å; L1680-R1684 VanDerWaalsContact O-CB 3.26Å; L1680-R1684 WeakPolarHBondContact O-CB 3.44Å; L1680-R1684 PolarHBondContact O-N 3.3Å
1681F88.6Confident85.2Confident10 Ų1032 Ų324%0.04415%0.148CC..Hα-helixtrans-68.2-35.3173.6-89.7-79.6000112.3L1161 W1162 I1621 E1625 L1677 F1678 R1684 Y1685L1161-F1681 HydrophobicContact CB-CZ 4.48Å; L1161-F1681 HydrophobicContact CD2-CD1 4.31Å; L1161-F1681 HydrophobicContact CD2-CD2 3.53Å; L1161-F1681 HydrophobicContact CD2-CE1 4.3Å; L1161-F1681 HydrophobicContact CD2-CE2 3.52Å; L1161-F1681 HydrophobicContact CD2-CG 3.95Å; L1161-F1681 HydrophobicContact CD2-CZ 3.92Å; L1161-F1681 HydrophobicContact CG-CD1 4.01Å; L1161-F1681 HydrophobicContact CG-CD2 4.14Å; L1161-F1681 HydrophobicContact CG-CE1 4Å; L1161-F1681 HydrophobicContact CG-CE2 4.14Å; L1161-F1681 HydrophobicContact CG-CG 4.08Å; L1161-F1681 HydrophobicContact CG-CZ 4.07Å; L1161-F1681 WeakPolarHBondContact O-CE1 3.43Å; W1162-F1681 HydrophobicContact CE3-CZ 4.32Å; I1621-F1681 HydrophobicContact CG2-CE2 4.09Å; I1621-F1681 HydrophobicContact CG2-CZ 4.26Å; E1625-F1681 WeakPolarHBondContact OE1-CE2 3.46Å; E1625-F1681 WeakPolarHBondContact OE1-CZ 3.35Å; L1677-F1681 HydrophobicContact CD1-CD2 4.01Å; L1677-F1681 HydrophobicContact CD1-CE2 3.75Å; L1677-F1681 HydrophobicContact CG-CD2 3.96Å; L1677-F1681 HydrophobicContact CG-CE2 4.06Å; L1677-F1681 WeakPolarHBondContact O-CD2 3.44Å; L1677-F1681 PolarHBondContact O-N 3.22Å; F1678-F1681 PolarHBondContact O-N 3.38Å; F1681-R1684 PolarHBondContact O-N 3.42Å; F1681-Y1685 WeakPolarHBondContact O-CB 3.47Å; F1681-Y1685 PolarHBondContact O-N 2.88Å
1682F87.3Confident84.9Confident80 Ų8029 Ų2935%0.35113%0.132SC..Hα-helixtrans-67.4-43.5172.6-177.8-112.7000111.5I1570 T1574 F1678 S1679 Y1685 M1686I1570-F1682 HydrophobicContact CG2-CE1 4.14Å; T1574-F1682 HydrophobicContact CG2-CD1 3.64Å; T1574-F1682 HydrophobicContact CG2-CE1 3.41Å; T1574-F1682 VanDerWaalsContact CG2-CE1 3.41Å; T1574-F1682 HydrophobicContact CG2-CZ 4.48Å; F1678-F1682 VanDerWaalsContact O-CB 3.22Å; F1678-F1682 WeakPolarHBondContact O-CB 3.48Å; F1678-F1682 PolarHBondContact O-N 2.99Å; S1679-F1682 PolarHBondContact O-N 2.9Å; F1682-Y1685 HydrophobicContact CD2-CD1 4.2Å; F1682-Y1685 HydrophobicContact CE2-CD1 4.31Å; F1682-Y1685 WeakPolarHBondContact O-CB 3.37Å; F1682-Y1685 PolarHBondContact O-N 3.2Å; F1682-M1686 HydrophobicContact CD1-CG 4.46Å; F1682-M1686 HydrophobicContact CD2-CG 4.49Å; F1682-M1686 HydrophobicContact CE1-CG 4.1Å; F1682-M1686 HydrophobicContact CE2-CG 4.12Å; F1682-M1686 HydrophobicContact CE2-SD 4.28Å; F1682-M1686 HydrophobicContact CZ-CG 3.91Å; F1682-M1686 HydrophobicContact CZ-SD 4.16Å; F1682-M1686 WeakPolarHBondContact O-CG 3.43Å; F1682-M1686 PolarHBondContact O-N 3.07Å
1683H89.5Confident84.4Confident10 Ų1026.4 Ų26.45%0.04612%0.123CC..Hα-helixtrans-61-45.7172.7-175.664.9000111.3T1574 W1617 S1679 L1680 Y1685 M1686 L1687T1574-H1683 WeakPolarHBondContact CB-ND1 3.45Å; T1574-H1683 PolarHBondContact OG1-ND1 3.05Å; W1617-H1683 AromaticContact CD2-CD2 3.58Å; W1617-H1683 AromaticContact CD2-NE2 3.7Å; W1617-H1683 AromaticContact CE2-CD2 3.56Å; W1617-H1683 AromaticContact CE2-NE2 3.15Å; W1617-H1683 AromaticContact CE3-CD2 3.7Å; W1617-H1683 AromaticContact CH2-CD2 3.83Å; W1617-H1683 AromaticContact CH2-NE2 3.75Å; W1617-H1683 AromaticContact CZ2-CD2 3.7Å; W1617-H1683 AromaticContact CZ2-CE1 3.99Å; W1617-H1683 AromaticContact CZ2-NE2 3.2Å; W1617-H1683 WeakPolarHBondContact CZ2-NE2 3.33Å; W1617-H1683 AromaticContact CZ3-CD2 3.82Å; W1617-H1683 AromaticContact NE1-NE2 3.5Å; S1679-H1683 WeakPolarHBondContact O-CB 3.29Å; S1679-H1683 PolarHBondContact O-N 3.2Å; L1680-H1683 PolarHBondContact O-N 2.98Å; H1683-Y1685 VanDerWaalsContact C-N 3.32Å; H1683-Y1685 PolarHBondContact O-N 3.19Å; H1683-M1686 PolarHBondContact O-N 3.11Å; H1683-L1687 VanDerWaalsContact NE2-CD1 3.32Å; H1683-L1687 WeakPolarHBondContact NE2-CD1 3.02Å; H1683-L1687 WeakPolarHBondContact O-CB 3.22Å; H1683-L1687 WeakPolarHBondContact O-CG 3.49Å; H1683-L1687 PolarHBondContact O-N 3.39Å
1684R88.1Confident83.5Confident12 Ų1234.3 Ų34.35%0.04516%0.157CC..Hα-helixtrans-58-40.2172170.5177.1164.2161.8-3.2112.4W1162 I1621 L1680 F1681 R1688 W1693W1162-R1684 PolarHBondContact O-NH2 3.3Å; I1621-R1684 HydrophobicContact CD1-CB 4.39Å; L1680-R1684 VanDerWaalsContact O-CB 3.26Å; L1680-R1684 WeakPolarHBondContact O-CB 3.44Å; L1680-R1684 PolarHBondContact O-N 3.3Å; F1681-R1684 PolarHBondContact O-N 3.42Å; R1684-R1688 WeakPolarHBondContact O-CB 3.4Å; R1684-R1688 VanDerWaalsContact O-CG 3.27Å; R1684-R1688 WeakPolarHBondContact O-CG 3.38Å; R1684-R1688 PolarHBondContact O-N 3.05Å; R1684-W1693 HydrophobicContact CB-CE3 4.46Å; R1684-W1693 HydrophobicContact CB-CH2 4.43Å; R1684-W1693 HydrophobicContact CB-CZ3 4Å; R1684-W1693 HydrophobicContact CG-CE3 4.28Å; R1684-W1693 HydrophobicContact CG-CH2 4.1Å; R1684-W1693 HydrophobicContact CG-CZ2 4.47Å; R1684-W1693 HydrophobicContact CG-CZ3 3.99Å
1685Y85.1Confident81.9Confident28 Ų2838.7 Ų38.711%0.1118%0.181CC..Hα-helixtrans-65.1-47.7174.5167.6-120000111.4N1165 F1681 F1682 H1683 R1688 K1689N1165-Y1685 WeakPolarHBondContact ND2-CE2 3.36Å; F1681-Y1685 WeakPolarHBondContact O-CB 3.47Å; F1681-Y1685 PolarHBondContact O-N 2.88Å; F1682-Y1685 HydrophobicContact CD2-CD1 4.2Å; F1682-Y1685 HydrophobicContact CE2-CD1 4.31Å; F1682-Y1685 WeakPolarHBondContact O-CB 3.37Å; F1682-Y1685 PolarHBondContact O-N 3.2Å; H1683-Y1685 VanDerWaalsContact C-N 3.32Å; H1683-Y1685 PolarHBondContact O-N 3.19Å; Y1685-R1688 PolarHBondContact O-N 2.63Å; Y1685-K1689 WeakPolarHBondContact O-CB 3.48Å; Y1685-K1689 PolarHBondContact O-N 3.02Å
1686M84.4Confident80.3Confident13 Ų1337.5 Ų37.56%0.06418%0.176CC..Hα-helixtrans-64.2-44.1177.9-69.2-58.3-65.200112.4H1492 T1574 F1682 H1683 R1688 K1689 L1690H1492-M1686 WeakPolarHBondContact NE2-CE 3.25Å; T1574-M1686 HydrophobicContact CG2-CG 4.14Å; F1682-M1686 HydrophobicContact CD1-CG 4.46Å; F1682-M1686 HydrophobicContact CD2-CG 4.49Å; F1682-M1686 HydrophobicContact CE1-CG 4.1Å; F1682-M1686 HydrophobicContact CE2-CG 4.12Å; F1682-M1686 HydrophobicContact CE2-SD 4.28Å; F1682-M1686 HydrophobicContact CZ-CG 3.91Å; F1682-M1686 HydrophobicContact CZ-SD 4.16Å; F1682-M1686 WeakPolarHBondContact O-CG 3.43Å; F1682-M1686 PolarHBondContact O-N 3.07Å; H1683-M1686 PolarHBondContact O-N 3.11Å; M1686-R1688 VanDerWaalsContact C-N 3.29Å; M1686-R1688 PolarHBondContact O-N 3.03Å; M1686-K1689 PolarHBondContact O-N 3.42Å; M1686-K1689 HydrophobicContact SD-CD 4.38Å; M1686-L1690 WeakPolarHBondContact O-CB 3.29Å; M1686-L1690 WeakPolarHBondContact O-CG 3.23Å; M1686-L1690 PolarHBondContact O-N 3.41Å
1687L81.5Confident78.5Confident24 Ų2444.2 Ų44.213%0.12621%0.212CC..Hα-helixtrans-60-36.4172.8-72.4-177.2000112.2H1683 G1691 L1692 W1693H1683-L1687 VanDerWaalsContact NE2-CD1 3.32Å; H1683-L1687 WeakPolarHBondContact NE2-CD1 3.02Å; H1683-L1687 WeakPolarHBondContact O-CB 3.22Å; H1683-L1687 WeakPolarHBondContact O-CG 3.49Å; H1683-L1687 PolarHBondContact O-N 3.39Å; L1687-G1691 CarbonylContact O-C 3.48Å; L1687-G1691 PolarHBondContact O-N 3.26Å; L1687-G1691 VanDerWaalsContact O-N 3.09Å; L1687-L1692 HydrophobicContact CB-CB 4.46Å; L1687-L1692 HydrophobicContact CD2-CB 3.65Å; L1687-L1692 HydrophobicContact CD2-CD1 3.99Å; L1687-L1692 HydrophobicContact CD2-CG 4.49Å; L1687-L1692 PolarHBondContact O-N 2.96Å; L1687-W1693 HydrophobicContact CB-CB 4.23Å; L1687-W1693 HydrophobicContact CB-CE3 4.07Å; L1687-W1693 HydrophobicContact CD1-CE3 3.73Å; L1687-W1693 HydrophobicContact CD1-CZ3 4.1Å; L1687-W1693 PolarHBondContact O-N 3.28Å
1688R80Confident76.7Confident80 Ų8049 Ų4930%0.30224%0.237SC..Hα-helixtrans-72.1-43.6174.7-77.2178.6179.4-166.62.7112.2R1684 Y1685 M1686 L1690 G1691 W1693R1684-R1688 WeakPolarHBondContact O-CB 3.4Å; R1684-R1688 VanDerWaalsContact O-CG 3.27Å; R1684-R1688 WeakPolarHBondContact O-CG 3.38Å; R1684-R1688 PolarHBondContact O-N 3.05Å; Y1685-R1688 PolarHBondContact O-N 2.63Å; M1686-R1688 VanDerWaalsContact C-N 3.29Å; M1686-R1688 PolarHBondContact O-N 3.03Å; R1688-L1690 VanDerWaalsContact C-N 3.32Å; R1688-L1690 PolarHBondContact O-N 3.4Å; R1688-G1691 PolarHBondContact O-N 3.24Å; R1688-G1691 VanDerWaalsContact O-N 3.09Å; R1688-W1693 HydrophobicContact CG-CB 3.87Å; R1688-W1693 HydrophobicContact CG-CD2 4.47Å; R1688-W1693 HydrophobicContact CG-CG 3.92Å
1689K78.3Confident75.1Confident76 Ų7651.4 Ų51.433%0.3326%0.256SS..Hα-helixtrans-62-37.7178.8-174.9178-176.11790112.7Y1685 M1686Y1685-K1689 WeakPolarHBondContact O-CB 3.48Å; Y1685-K1689 PolarHBondContact O-N 3.02Å; M1686-K1689 PolarHBondContact O-N 3.42Å; M1686-K1689 HydrophobicContact SD-CD 4.38Å
1690L76.6Confident73.3Confident26 Ų2656.5 Ų56.514%0.13628%0.282CS..THydrogen-bonded Turntrans-84.9-11.5175-62.3171.2000113.1G1299 A1300 V1495 L1499 M1686 R1688 L1692G1299-L1690 CarbonylContact C-O 3.53Å; G1299-L1690 VanDerWaalsContact C-O 3.26Å; G1299-L1690 WeakPolarHBondContact CA-O 3.27Å; G1299-L1690 PolarHBondContact N-O 3.39Å; A1300-L1690 PolarHBondContact N-O 3.24Å; A1300-L1690 VanDerWaalsContact N-O 3.15Å; V1495-L1690 HydrophobicContact CG1-CD2 3.81Å; L1499-L1690 HydrophobicContact CD1-CD2 4.28Å; M1686-L1690 WeakPolarHBondContact O-CB 3.29Å; M1686-L1690 WeakPolarHBondContact O-CG 3.23Å; M1686-L1690 PolarHBondContact O-N 3.41Å; R1688-L1690 VanDerWaalsContact C-N 3.32Å; R1688-L1690 PolarHBondContact O-N 3.4Å; L1690-L1692 HydrophobicContact CB-CD1 3.83Å; L1690-L1692 HydrophobicContact CB-CG 4.08Å; L1690-L1692 HydrophobicContact CD1-CD1 3.94Å
1691G71.1Confident71.9Confident4 Ų457.9 Ų57.94%0.04129%0.291CS..THydrogen-bonded Turntrans79.613.1-178.700000115.8A1296 L1687 R1688A1296-G1691 WeakPolarHBondContact O-CA 3.33Å; L1687-G1691 CarbonylContact O-C 3.48Å; L1687-G1691 PolarHBondContact O-N 3.26Å; L1687-G1691 VanDerWaalsContact O-N 3.09Å; R1688-G1691 PolarHBondContact O-N 3.24Å; R1688-G1691 VanDerWaalsContact O-N 3.09Å
1692L74.7Confident70.6Confident25 Ų2559.7 Ų59.713%0.13130%0.299CS..THydrogen-bonded Turntrans-80.9-11.5-179.2-63.5163.2000113.7A1300 R1611 L1687 L1690 K1694A1300-L1692 HydrophobicContact CB-CD2 3.78Å; A1300-L1692 HydrophobicContact CB-CG 4.45Å; R1611-L1692 VanDerWaalsContact NH1-CD2 3.34Å; R1611-L1692 PolarHBondContact NH1-O 3.08Å; R1611-L1692 PolarHBondContact NH2-O 3.39Å; L1687-L1692 HydrophobicContact CB-CB 4.46Å; L1687-L1692 HydrophobicContact CD2-CB 3.65Å; L1687-L1692 HydrophobicContact CD2-CD1 3.99Å; L1687-L1692 HydrophobicContact CD2-CG 4.49Å; L1687-L1692 PolarHBondContact O-N 2.96Å; L1690-L1692 HydrophobicContact CB-CD1 3.83Å; L1690-L1692 HydrophobicContact CB-CG 4.08Å; L1690-L1692 HydrophobicContact CD1-CD1 3.94Å; L1692-K1694 VanDerWaalsContact C-N 3.33Å; L1692-K1694 PolarHBondContact O-N 3.47Å
1693W76.9Confident69Low31 Ų3161.8 Ų61.812%0.11732%0.318CS..THydrogen-bonded Turntrans-71.6-17.1-173.9-175.6-96.5000115.5K1614 W1617 V1618 R1684 L1687 R1688K1614-W1693 HydrophobicContact CG-CZ2 4.21Å; W1617-W1693 HydrophobicContact CB-CH2 4.26Å; W1617-W1693 HydrophobicContact CB-CZ3 4.07Å; V1618-W1693 HydrophobicContact CG2-CH2 3.9Å; V1618-W1693 HydrophobicContact CG2-CZ2 3.72Å; R1684-W1693 HydrophobicContact CB-CE3 4.46Å; R1684-W1693 HydrophobicContact CB-CH2 4.43Å; R1684-W1693 HydrophobicContact CB-CZ3 4Å; R1684-W1693 HydrophobicContact CG-CE3 4.28Å; R1684-W1693 HydrophobicContact CG-CH2 4.1Å; R1684-W1693 HydrophobicContact CG-CZ2 4.47Å; R1684-W1693 HydrophobicContact CG-CZ3 3.99Å; L1687-W1693 HydrophobicContact CB-CB 4.23Å; L1687-W1693 HydrophobicContact CB-CE3 4.07Å; L1687-W1693 HydrophobicContact CD1-CE3 3.73Å; L1687-W1693 HydrophobicContact CD1-CZ3 4.1Å; L1687-W1693 PolarHBondContact O-N 3.28Å; R1688-W1693 HydrophobicContact CG-CB 3.87Å; R1688-W1693 HydrophobicContact CG-CD2 4.47Å; R1688-W1693 HydrophobicContact CG-CG 3.92Å
1694K67.2Low66.7Low166 Ų16669.6 Ų69.672%0.72236%0.359SS*.SBendtrans-112150.5166.9-71.4-172.1176.7-172.80108.1R1611 L1692 A1696R1611-K1694 PolarHBondContact NH2-O 3.48Å; L1692-K1694 VanDerWaalsContact C-N 3.33Å; L1692-K1694 PolarHBondContact O-N 3.47Å; K1694-A1696 PolarHBondContact O-N 2.91Å
1695D55.4Low64.1Low109 Ų10977.7 Ų77.758%0.58340%0.395SS*.  trans-75.4109175.9-60.9-50.5000109R1611R1611-D1695 IonicContact CZ-OD1 2.69Å; R1611-D1695 IonicContact NE-OD1 3.56Å; R1611-D1695 IonicContact NH2-OD1 3.52Å; R1611-D1695 PolarHBondContact NH2-OD1 3.45Å
1696A53Low61.8Low25 Ų2585.2 Ų85.221%0.20743%0.431CS..  trans-71.7128163.100000107A1300 K1694 L1698A1300-A1696 HydrophobicContact CB-CB 4.49Å; K1694-A1696 PolarHBondContact O-N 2.91Å; A1696-L1698 PolarHBondContact O-N 3.41Å
1697N53.5Low59.2Low141 Ų14192.6 Ų92.675%0.75447%0.465SS*.  trans-53.5132.7178.2-102.6-6.7000110.1T1699N1697-T1699 HydrophobicContact CB-CG2 4.42Å; N1697-T1699 PolarHBondContact O-N 2.97Å; N1697-T1699 PolarHBondContact O-OG1 3.03Å
1698L52.9Low57Low103 Ų10397.5 Ų97.554%0.53950%0.498SS..  trans-76.946.9-178.3-77.9147.2000112A1696 F1785A1696-L1698 PolarHBondContact O-N 3.41Å; L1698-F1785 HydrophobicContact CD2-CE2 4.17Å
1699T53.6Low54.6Low103 Ų103104.6 Ų104.663%0.63253%0.525SS*.  trans-84.9142.4170.149.80000109.8N1697 T1701N1697-T1699 HydrophobicContact CB-CG2 4.42Å; N1697-T1699 PolarHBondContact O-N 2.97Å; N1697-T1699 PolarHBondContact O-OG1 3.03Å; T1699-T1701 PolarHBondContact O-N 3.21Å
1700D51.9Low52.7Low119 Ų119106.5 Ų106.564%0.63655%0.548SS*.  trans-50.7131.1-168.7-54.5-34000113.3
1701T60.4Low50.5Low31 Ų31110.2 Ų110.219%0.1958%0.583CS.*SBendtrans-90.5-15.5-160.9-2.80000114.4V1301 N1304 Q1305 E1308 T1699V1301-T1701 HydrophobicContact CG1-CG2 4.08Å; N1304-T1701 HydrophobicContact CB-CG2 3.93Å; Q1305-T1701 HydrophobicContact CG-CG2 3.8Å; Q1305-T1701 PolarHBondContact NE2-O 3.16Å; E1308-T1701 WeakPolarHBondContact OE2-CB 3.39Å; E1308-T1701 PolarHBondContact OE2-OG1 2.92Å; T1699-T1701 PolarHBondContact O-N 3.21Å
1702F60.4Low48.8Very low48 Ų48115.7 Ų115.721%0.21162%0.62CS.*SBendtrans-107.8120.7167.9-62.9-76000108.8Q1305 E1308 L1704Q1305-F1702 HydrophobicContact CB-CE1 4.12Å; Q1305-F1702 HydrophobicContact CB-CE2 4.09Å; Q1305-F1702 HydrophobicContact CB-CZ 3.61Å; Q1305-F1702 HydrophobicContact CG-CD1 4.43Å; Q1305-F1702 HydrophobicContact CG-CE1 3.97Å; Q1305-F1702 HydrophobicContact CG-CE2 4.21Å; Q1305-F1702 HydrophobicContact CG-CZ 3.86Å; Q1305-F1702 WeakPolarHBondContact O-CE2 3.12Å; Q1305-F1702 WeakPolarHBondContact O-CZ 3.35Å; E1308-F1702 HydrophobicContact CB-CE2 4.24Å; E1308-F1702 HydrophobicContact CG-CD2 4.33Å; E1308-F1702 HydrophobicContact CG-CE2 4.32Å; F1702-L1704 PolarHBondContact O-N 3.37Å
1703T54.6Low46.9Very low123 Ų123117.6 Ų117.676%0.75565%0.646SS**  trans-67.3120174.350.30000109.6K1705T1703-K1705 PolarHBondContact O-N 3.09Å
1704L41.7Very low44.7Very low175 Ų175121 Ų12192%0.91668%0.675SS**  trans-59.292.3175-77.2166.1000111.4F1702F1702-L1704 PolarHBondContact O-N 3.37Å
1705K32.8Very low43.1Very low182 Ų182120.2 Ų120.279%0.79168%0.678SS**  trans-144.579.8168-86.1-167.7173.6-177.30109.1T1703T1703-K1705 PolarHBondContact O-N 3.09Å
1706E36.9Very low42.1Very low186 Ų186121.8 Ų121.887%0.86969%0.692SS**  trans-174.272.7153-105.6159-151.900109.7
1707E30.3Very low41.1Very low167 Ų167124.3 Ų124.378%0.7872%0.721SS**  trans-74133.2140.7-81.6-168.2149.500107.3R1709E1707-R1709 PolarHBondContact O-N 3.22Å
1708P34.2Very low40Very low127 Ų127123.2 Ų123.283%0.82572%0.724SS**  trans-74.788.5178.930.8-33.9000109.7S1710P1708-S1710 PolarHBondContact O-N 3.04Å
1709R30.9Very low38.9Very low230 Ų230124.3 Ų124.387%0.86874%0.737SS**  trans-65.7108.7172.4-80.3-171.6174.9-178.3-2.1110.2E1707E1707-R1709 PolarHBondContact O-N 3.22Å
1710S37.6Very low37.8Very low115 Ų115129.7 Ų129.780%0.80475%0.752SS**  trans-55.2150.6168.143.80000111.7P1708 S1712P1708-S1710 PolarHBondContact O-N 3.04Å; S1710-S1712 PolarHBondContact O-N 3.41Å
1711A31.5Very low36.7Very low105 Ų105133.5 Ų133.587%0.86876%0.763SS**  trans-73.5126.4-174.500000112.7
1712S34.6Very low35.2Very low118 Ų118139.8 Ų139.883%0.82579%0.794SS**  trans-166147.3133.9670000112.2S1710S1710-S1712 PolarHBondContact O-N 3.41Å
1713G34.1Very low33.6Very low65 Ų65141.7 Ų141.767%0.6782%0.818SS**  trans77.785.5137.900000119.8
1714S32Very low32.3Very low103 Ų103144.9 Ų144.972%0.7282%0.824SS**  39.2122.6125.460.70000121.9
1715D33.6Very low31.6Very low150 Ų150143.5 Ų143.580%0.80281%0.813SS**  90.1145.2124.1-66.9-15.6000124
1716T33.9Very low31.4Very low141 Ų141140.9 Ų140.987%0.86582%0.815SS**  trans6881.1164.253.20000118.2
1717G30.8Very low30.8Very low79 Ų79139 Ų13981%0.81480%0.804SS**  trans-68.4167.8159.900000114.6
1718S30.5Very low30.7Very low118 Ų118137.8 Ų137.883%0.82581%0.807SS**  trans-150.8144.9139.258.50000109.6
1719P30.4Very low30.3Very low126 Ų126136.3 Ų136.382%0.81880%0.796SS**  trans-99.7131.2-166.735.3-31000112.8
1720K30.6Very low30.1Very low215 Ų215131 Ų13194%0.93579%0.789SS**  trans-130.9128.6164.9-94.3-178.4176.2175.50112.6
1721K28.2Very low29.7Very low200 Ų200131.4 Ų131.487%0.8779%0.787SS**  trans-76.6126.9-179.9-61.4165.4174175.30111.1
1722I29.8Very low29.5Very low163 Ų163134.3 Ų134.384%0.83678%0.782SS**  trans-144.3105.7139.4-53.8-177.9000103.8
1723A27Very low29.2Very low88 Ų88133.1 Ų133.173%0.72777%0.774SS**  cis70.165.849.600000113.9
1724Q26.3Very low28.9Very low189 Ų189136.9 Ų136.988%0.88378%0.779SS**  trans-153.4118.8148.6-111.2165.319.400111
1725E26.9Very low28.8Very low146 Ų146137.7 Ų137.768%0.68278%0.78SS**  trans-79.7138.8172.9-48.8165.3130.600109.6K1727E1725-K1727 VanDerWaalsContact C-N 3.27Å; E1725-K1727 HydrophobicContact CB-CG 4.15Å; E1725-K1727 PolarHBondContact O-N 3.3Å; E1725-K1727 WeakPolarHBondContact OE2-CE 3.3Å; E1725-K1727 VanDerWaalsContact OE2-CG 3.26Å; E1725-K1727 WeakPolarHBondContact OE2-CG 3.17Å
1726P28.6Very low28.7Very low127 Ų127138.1 Ų138.183%0.82578%0.781SS**  trans-78.487146.231.8-27.3000107.4V1728P1726-V1728 PolarHBondContact O-N 3Å
1727K25.8Very low28.5Very low148 Ų148140.3 Ų140.364%0.64378%0.781SS**  trans-52125.6171.6-74.4176.8178171.80109.5E1725 V1729E1725-K1727 VanDerWaalsContact C-N 3.27Å; E1725-K1727 HydrophobicContact CB-CG 4.15Å; E1725-K1727 PolarHBondContact O-N 3.3Å; E1725-K1727 WeakPolarHBondContact OE2-CE 3.3Å; E1725-K1727 VanDerWaalsContact OE2-CG 3.26Å; E1725-K1727 WeakPolarHBondContact OE2-CG 3.17Å; K1727-V1729 HydrophobicContact CB-CG2 3.7Å; K1727-V1729 PolarHBondContact O-N 3.17Å
1728V27Very low28.6Very low140 Ų140139.7 Ų139.785%0.84878%0.775SS**  trans-73.480.4161.2-178.50000107.3P1726 V1730P1726-V1728 PolarHBondContact O-N 3Å; V1728-V1730 PolarHBondContact O-N 2.72Å
1729V27Very low28.6Very low96 Ų96140.4 Ų140.458%0.58278%0.775SS**  trans-67.6118.2178.8178.20000108.9K1727 T1731K1727-V1729 HydrophobicContact CB-CG2 3.7Å; K1727-V1729 PolarHBondContact O-N 3.17Å; V1729-T1731 HydrophobicContact CG1-CG2 4.02Å; V1729-T1731 PolarHBondContact O-N 3.18Å
1730V26Very low28.5Very low118 Ų118140.1 Ų140.172%0.71578%0.776SS**  trans-84.695.3164.8178.60000107.3V1728V1728-V1730 PolarHBondContact O-N 2.72Å
1731T28.4Very low28.4Very low125 Ų125134 Ų13477%0.76777%0.774SS**  trans-89122.7169.714.80000110.4V1729V1729-T1731 HydrophobicContact CG1-CG2 4.02Å; V1729-T1731 PolarHBondContact O-N 3.18Å
1732Q27.7Very low28.4Very low165 Ų165128.1 Ų128.177%0.77177%0.77SS**  trans-96.2161.5168.2-62.7-179.2-97.500109.7
1733S28.7Very low28.2Very low93 Ų93128.6 Ų128.665%0.6577%0.769SS**  trans62.2112.5153.345.90000120.3
1734D28.7Very low28.3Very low144 Ų144132.4 Ų132.477%0.7778%0.775SS**  86127.8119.3-52.6-18.2000122.7
1735T29.2Very low28.4Very low121 Ų121128 Ų12874%0.74276%0.761SS**  trans43.6114.9142.161.40000120.4
1736L32.1Very low28.6Very low159 Ų159128.4 Ų128.483%0.83277%0.766SS**  178.6166.8102.3-100.7152.6000113
1737E29.7Very low28.7Very low186 Ų186127.6 Ų127.687%0.86976%0.761SS**  trans-77169.8177.7-56.5161.8131.900111.6
1738G31.7Very low28.9Very low67 Ų67125.5 Ų125.569%0.69177%0.765SS**  trans114.789.3156.200000117.3
1739T30.2Very low29.2Very low133 Ų133126.3 Ų126.382%0.81677%0.765SS**  trans26129132.5-8.20000121.7
1740S29.5Very low29.3Very low119 Ų119126.5 Ų126.583%0.83277%0.768SS**  trans75.8134.8144.870.20000121.4
1741G27.1Very low29.5Very low87 Ų87128.1 Ų128.190%0.89777%0.772SS**  trans93.1102.1158.900000115.9
1742G29.2Very low29.8Very low77 Ų77127.3 Ų127.379%0.79478%0.778SS**  trans166.739.1176.500000116
1743E25.1Very low29.8Very low172 Ų172125.6 Ų125.680%0.80478%0.779SS**  trans-68.1128.2172.6179.7174-163.800110.5V1745E1743-V1745 HydrophobicContact CG-CG2 3.62Å
1744I30.8Very low30Very low168 Ų168125.7 Ų125.786%0.86278%0.78SS**  trans-129.1111.8166.2-59-179.7000107.8
1745V28.2Very low30.1Very low98 Ų98125.6 Ų125.659%0.59478%0.779SS**  trans-125.8174.3-178.5-1800000107.4E1743E1743-V1745 HydrophobicContact CG-CG2 3.62Å
1746I29.8Very low30.2Very low153 Ų153128.1 Ų128.179%0.78579%0.785SS**  trans83.2143.1165.4-44.1171.4000114.1
1747P31.3Very low30.4Very low110 Ų110129.8 Ų129.871%0.71479%0.788SS**  cis-115147-4.31310.1000115.6
1748S29.6Very low30.4Very low105 Ų105129.9 Ų129.973%0.73479%0.789SS**  trans-62.6136.7142.339.80000110.6
1749D33.8Very low30.6Very low157 Ų157135 Ų13584%0.8480%0.799SS**  trans-105.7108.6162.7-154.2-5.1000108.9N1751D1749-N1751 PolarHBondContact O-N 3.12Å
1750P28.6Very low30.7Very low99 Ų99136.2 Ų136.264%0.64380%0.801SS**  trans-99.282.5-165.436.6-32.8000112.1
1751N29.9Very low30.9Very low152 Ų152136.6 Ų136.681%0.81380%0.802SS**  trans-158.930.7175.1-99.4-36.7000116.7D1749D1749-N1751 PolarHBondContact O-N 3.12Å
1752A34.2Very low31.5Very low108 Ų108141.2 Ų141.289%0.89380%0.8SS**  trans-107.861.2172.700000111.8
1753V29.3Very low32.1Very low129 Ų129142.9 Ų142.978%0.78280%0.797SS**  trans-94.3124.7177174.20000110
1754S32.4Very low32.9Very low96 Ų96140.7 Ų140.767%0.67180%0.798SS**  176.3117.4128.659.70000113.7
1755N29.7Very low33.4Very low141 Ų141139.9 Ų139.975%0.75479%0.794SS**  trans62.4102.3141.2-49.1-9.9000120.1
1756M32.6Very low34.3Very low175 Ų175140.8 Ų140.886%0.86280%0.801SS**  -175.7117110.5-100.1174.2-70.100113.1
1757E36.9Very low35.1Very low194 Ų194139.3 Ų139.391%0.90779%0.791SS**  trans53.3124151.6-63.1-179.9158.500121.8
1758E28.7Very low36Very low188 Ų188143.4 Ų143.488%0.87980%0.798SS**  trans-86.7148.5-176.4-61.8161.6135.700112.4
1759L36.8Very low36.9Very low173 Ų173148 Ų14891%0.90681%0.808SS**  trans-142.9123153-142.3101.9000108.5C1761L1759-C1761 PolarHBondContact O-N 2.96Å
1760D32.3Very low38.1Very low160 Ų160144.2 Ų144.286%0.85679%0.794SS**  trans-59.4121.9-165.2-67.7-57.1000114.5
1761C32.9Very low40.2Very low127 Ų127141.6 Ų141.686%0.85878%0.784SS**  trans-138.7115.3160.4-88.40000108.2L1759L1759-C1761 PolarHBondContact O-N 2.96Å
1762E38.7Very low42.5Very low183 Ų183139.9 Ų139.986%0.85578%0.782SS**PPolyproline II helixtrans-55.5145.9-179.2-73.2-178.5115.500112.4
1763P42.6Very low44.5Very low112 Ų112140.8 Ų140.873%0.72777%0.77SS**PPolyproline II helixtrans-60.9138.4171.427.2-34.2000110I1765P1763-I1765 PolarHBondContact O-N 3.23Å; P1763-I1765 VanDerWaalsContact O-N 3.08Å
1764P41.8Very low46.8Very low127 Ų127135.8 Ų135.883%0.82575%0.745SS**PPolyproline II helixtrans-62.8118.4-17925.5-33.5000110.1
1765I41Very low49Very low151 Ų151138 Ų13877%0.77474%0.738SS**PPolyproline II helixtrans-49.1128.8172.4-60.5164.4000107.9P1763 E1767P1763-I1765 PolarHBondContact O-N 3.23Å; P1763-I1765 VanDerWaalsContact O-N 3.08Å; I1765-E1767 PolarHBondContact O-N 3.41Å
1766P47.5Very low51.3Low116 Ų116133.9 Ų133.975%0.75371%0.714SS**PPolyproline II helixtrans-55.3125.3-176.220.2-32.5000110.7K1768P1766-K1768 PolarHBondContact O-N 3.33Å
1767E47.5Very low53.6Low123 Ų123128.8 Ų128.858%0.57569%0.689SS**  trans-51.7103.6-177-81.9-165.7148.900110.1I1765 Q1769 R1775 H1778I1765-E1767 PolarHBondContact O-N 3.41Å; E1767-Q1769 PolarHBondContact O-N 2.91Å; E1767-R1775 IonicContact OE2-NH2 2.87Å; E1767-H1778 IonicContact OE1-CE1 3.42Å; E1767-H1778 PolarHBondContact OE1-CE1 3.08Å; E1767-H1778 VanDerWaalsContact OE1-CE1 3.26Å; E1767-H1778 IonicContact OE1-ND1 2.81Å; E1767-H1778 PolarHBondContact OE1-ND1 3.18Å
1768K50Low55.7Low195 Ų195123.9 Ų123.985%0.84867%0.666SS**  trans-53.5126.3173.2-167.1173.9-172.1174.40107.8P1766 S1770P1766-K1768 PolarHBondContact O-N 3.33Å; K1768-S1770 VanDerWaalsContact C-N 3.33Å; K1768-S1770 PolarHBondContact O-N 3.35Å
1769Q48.5Very low58Low203 Ų203120.2 Ų120.295%0.94965%0.649SS**  trans-49.893.5-172.3-76.6-176.3-10.600111.9E1767E1767-Q1769 PolarHBondContact O-N 2.91Å
1770S57.8Low60Low77 Ų77112.4 Ų112.454%0.53861%0.608SS.*  trans-90.6136.8-177.9-165.30000108.2K1768 G1774K1768-S1770 VanDerWaalsContact C-N 3.33Å; K1768-S1770 PolarHBondContact O-N 3.35Å; S1770-G1774 WeakPolarHBondContact OG-CA 3.49Å
1771G74.2Confident62.1Low43 Ų43107.2 Ų107.244%0.44358%0.578SS.*  trans-56.8163.4177.700000111.8I1773 G1774 R1775G1771-I1773 PolarHBondContact O-N 2.98Å; G1771-G1774 WeakPolarHBondContact O-CA 3Å; G1771-G1774 PolarHBondContact O-N 2.93Å; G1771-R1775 PolarHBondContact O-N 3.44Å
1772P76.7Confident64Low117 Ų117107.9 Ų107.976%0.7657%0.568SS**Hα-helixtrans-54-32.4-176.720.9-33.1000113.1F1776P1772-F1776 WeakPolarHBondContact O-CB 3.44Å; P1772-F1776 PolarHBondContact O-N 3.43Å
1773I76.7Confident65.6Low127 Ų127100.5 Ų100.565%0.65154%0.536SS*.Hα-helixtrans-65.8-45.4173.7-60.2169.6000111.6G1771 F1776 I1777G1771-I1773 PolarHBondContact O-N 2.98Å; I1773-F1776 WeakPolarHBondContact O-CB 3.38Å; I1773-F1776 PolarHBondContact O-N 3.21Å; I1773-I1777 HydrophobicContact CG2-CD1 3.92Å; I1773-I1777 WeakPolarHBondContact O-CG1 3.43Å; I1773-I1777 PolarHBondContact O-N 3.26Å
1774G78.5Confident66.5Low24 Ų24102.5 Ų102.525%0.24753%0.533CS..Hα-helixtrans-69.4-37.1179.700000112.6S1770 G1771 I1777 H1778S1770-G1774 WeakPolarHBondContact OG-CA 3.49Å; G1771-G1774 WeakPolarHBondContact O-CA 3Å; G1771-G1774 PolarHBondContact O-N 2.93Å; G1774-I1777 PolarHBondContact O-N 3.44Å; G1774-H1778 WeakPolarHBondContact O-CB 3.37Å; G1774-H1778 PolarHBondContact O-N 3.32Å
1775R77.1Confident67.6Low141 Ų14199.3 Ų99.353%0.53251%0.507SS..Hα-helixtrans-62.9-40.9169.1176.8172.7-92176-5.4111.8E1767 G1771 H1778 Q1779E1767-R1775 IonicContact OE2-NH2 2.87Å; G1771-R1775 PolarHBondContact O-N 3.44Å; R1775-H1778 PolarHBondContact O-N 3.1Å; R1775-Q1779 WeakPolarHBondContact O-CB 3.41Å; R1775-Q1779 VanDerWaalsContact O-CG 3.28Å; R1775-Q1779 WeakPolarHBondContact O-CG 3.19Å; R1775-Q1779 PolarHBondContact O-N 3.11Å
1776F78.7Confident68.9Low56 Ų5696.7 Ų96.725%0.24649%0.487CS..Hα-helixtrans-63-43.3174.9175.5-102.4000112.2L1607 P1772 I1773 Q1779 L1780L1607-F1776 HydrophobicContact CB-CE1 4.46Å; L1607-F1776 HydrophobicContact CB-CZ 3.95Å; P1772-F1776 WeakPolarHBondContact O-CB 3.44Å; P1772-F1776 PolarHBondContact O-N 3.43Å; I1773-F1776 WeakPolarHBondContact O-CB 3.38Å; I1773-F1776 PolarHBondContact O-N 3.21Å; F1776-Q1779 PolarHBondContact O-N 3.34Å; F1776-L1780 WeakPolarHBondContact O-CB 3.33Å; F1776-L1780 PolarHBondContact O-N 3.4Å
1777I80.5Confident69.8Low67 Ų6794.3 Ų94.334%0.34446%0.464SS..Hα-helixtrans-65.4-39.6176.1-68.7168.5000111.2I1773 G1774 L1780 F1781I1773-I1777 HydrophobicContact CG2-CD1 3.92Å; I1773-I1777 WeakPolarHBondContact O-CG1 3.43Å; I1773-I1777 PolarHBondContact O-N 3.26Å; G1774-I1777 PolarHBondContact O-N 3.44Å; I1777-L1780 WeakPolarHBondContact O-CB 3.38Å; I1777-L1780 PolarHBondContact O-N 3.16Å; I1777-F1781 HydrophobicContact CG2-CD2 3.72Å; I1777-F1781 HydrophobicContact CG2-CE2 3.36Å; I1777-F1781 HydrophobicContact CG2-CZ 4.23Å; I1777-F1781 WeakPolarHBondContact O-CD2 3.49Å; I1777-F1781 PolarHBondContact O-N 3.44Å; I1777-F1781 VanDerWaalsContact O-N 3.07Å
1778H80.8Confident70.8Confident91 Ų9189.6 Ų89.642%0.42144%0.442SS..Hα-helixtrans-61.8-46.5174.4-169.7-132.3000111.4E1767 G1774 R1775 L1780 F1781 H1782E1767-H1778 IonicContact OE1-CE1 3.42Å; E1767-H1778 PolarHBondContact OE1-CE1 3.08Å; E1767-H1778 VanDerWaalsContact OE1-CE1 3.26Å; E1767-H1778 IonicContact OE1-ND1 2.81Å; E1767-H1778 PolarHBondContact OE1-ND1 3.18Å; G1774-H1778 WeakPolarHBondContact O-CB 3.37Å; G1774-H1778 PolarHBondContact O-N 3.32Å; R1775-H1778 PolarHBondContact O-N 3.1Å; H1778-L1780 VanDerWaalsContact C-N 3.28Å; H1778-L1780 PolarHBondContact O-N 2.85Å; H1778-F1781 PolarHBondContact O-N 3.47Å; H1778-H1782 AromaticContact CD2-CD2 3.74Å; H1778-H1782 AromaticContact NE2-CD2 3.82Å; H1778-H1782 PolarHBondContact O-N 3.39Å
1779Q76.6Confident71.7Confident111 Ų11183.9 Ų83.952%0.51942%0.415SS..Hα-helixtrans-64.6-27.7175.1-71.9174.1-8.900113.6R1775 F1776 P1783R1775-Q1779 WeakPolarHBondContact O-CB 3.41Å; R1775-Q1779 VanDerWaalsContact O-CG 3.28Å; R1775-Q1779 WeakPolarHBondContact O-CG 3.19Å; R1775-Q1779 PolarHBondContact O-N 3.11Å; F1776-Q1779 PolarHBondContact O-N 3.34Å; Q1779-P1783 WeakPolarHBondContact O-CA 3.38Å
1780L79.2Confident72.9Confident9 Ų976.5 Ų76.55%0.04738%0.382CS..Hα-helixtrans-72.6-42.7175.3177.763.8000112L1607 F1776 I1777 H1778 L1861 I1911L1607-L1780 HydrophobicContact CD2-CD1 4.33Å; L1607-L1780 HydrophobicContact CD2-CD2 4.45Å; L1607-L1780 WeakPolarHBondContact O-CD1 3.45Å; F1776-L1780 WeakPolarHBondContact O-CB 3.33Å; F1776-L1780 PolarHBondContact O-N 3.4Å; I1777-L1780 WeakPolarHBondContact O-CB 3.38Å; I1777-L1780 PolarHBondContact O-N 3.16Å; H1778-L1780 VanDerWaalsContact C-N 3.28Å; H1778-L1780 PolarHBondContact O-N 2.85Å; L1780-L1861 HydrophobicContact CD2-CD1 4.48Å; L1780-L1861 HydrophobicContact CD2-CD2 4.32Å; L1780-I1911 HydrophobicContact CD1-CG2 4.31Å; L1780-I1911 HydrophobicContact CD2-CG2 4.3Å; L1780-I1911 HydrophobicContact CG-CG2 4.48Å
1781F77.9Confident74Confident52 Ų5272.9 Ų72.923%0.22836%0.357CS..Hα-helixtrans-79.8-34179.4-65.5-44000113.2I1777 H1778 P1783 V1857 V1858 L1861I1777-F1781 HydrophobicContact CG2-CD2 3.72Å; I1777-F1781 HydrophobicContact CG2-CE2 3.36Å; I1777-F1781 HydrophobicContact CG2-CZ 4.23Å; I1777-F1781 WeakPolarHBondContact O-CD2 3.49Å; I1777-F1781 PolarHBondContact O-N 3.44Å; I1777-F1781 VanDerWaalsContact O-N 3.07Å; H1778-F1781 PolarHBondContact O-N 3.47Å; F1781-P1783 VanDerWaalsContact C-CD 3.45Å; F1781-P1783 WeakPolarHBondContact O-CD 3.29Å; F1781-V1857 HydrophobicContact CD1-CG1 4.42Å; F1781-V1857 HydrophobicContact CE1-CG1 4.31Å; F1781-V1858 HydrophobicContact CE1-CG2 4.17Å; F1781-V1858 HydrophobicContact CZ-CG2 4.02Å; F1781-L1861 HydrophobicContact CE1-CD2 4.14Å; F1781-L1861 HydrophobicContact CZ-CD2 3.73Å
1782H72.9Confident74.5Confident141 Ų14171.5 Ų71.565%0.65334%0.338SS*.SBendtrans-124.767.1-179-56.9-74.5000112.1H1778H1778-H1782 AromaticContact CD2-CD2 3.74Å; H1778-H1782 AromaticContact NE2-CD2 3.82Å; H1778-H1782 PolarHBondContact O-N 3.39Å
1783P71.9Confident74.6Confident27 Ų2767.9 Ų67.918%0.17532%0.315CS..  trans-72.9144.5177.531.2-35.6000111.7N1609 Q1779 F1781 F1785 R1786N1609-P1783 WeakPolarHBondContact ND2-CB 3.44Å; Q1779-P1783 WeakPolarHBondContact O-CA 3.38Å; F1781-P1783 VanDerWaalsContact C-CD 3.45Å; F1781-P1783 WeakPolarHBondContact O-CD 3.29Å; P1783-F1785 PolarHBondContact O-N 3.18Å; P1783-F1785 VanDerWaalsContact O-N 3.11Å; P1783-R1786 HydrophobicContact CG-CB 4.24Å; P1783-R1786 HydrophobicContact CG-CG 4.44Å
1784K61.4Low74.9Confident154 Ų15465.5 Ų65.567%0.6730%0.303SS*.SBendtrans-57.7-25.3172.3-164.6-174.5-179.8-167.20112.3
1785F64.2Low75.4Confident61 Ų6164.4 Ų64.427%0.26829%0.291SS..SBendtrans-132.2113.8-178.1-66.2-53.3000109.5M1311 N1609 L1698 P1783M1311-F1785 HydrophobicContact CE-CB 3.54Å; M1311-F1785 HydrophobicContact CE-CD1 3.85Å; M1311-F1785 HydrophobicContact CE-CG 4.12Å; M1311-F1785 HydrophobicContact SD-CB 4.37Å; M1311-F1785 HydrophobicContact SD-CD1 3.77Å; N1609-F1785 PolarHBondContact ND2-O 3.16Å; L1698-F1785 HydrophobicContact CD2-CE2 4.17Å; P1783-F1785 PolarHBondContact O-N 3.18Å; P1783-F1785 VanDerWaalsContact O-N 3.11Å
1786R67.7Low75.8Confident96 Ų9660.6 Ų60.636%0.36228%0.278SS..  trans-114.8116.4177.7-162.9179.9-147.6157.519.6111P1783 I1788 N1913P1783-R1786 HydrophobicContact CG-CB 4.24Å; P1783-R1786 HydrophobicContact CG-CG 4.44Å; R1786-I1788 HydrophobicContact CG-CG1 4.2Å; R1786-N1913 WeakPolarHBondContact CG-O 3.42Å; R1786-N1913 PolarHBondContact NE-O 2.89Å
1787Y67.2Low76.1Confident66 Ų6659.3 Ų59.326%0.25928%0.281SS..  trans-97.8112.1173-178.2-88.8000108.6Q1314 R1789 N1913Q1314-Y1787 VanDerWaalsContact NE2-CE2 3.32Å; Y1787-R1789 HydrophobicContact CD1-CB 4.35Å; Y1787-R1789 HydrophobicContact CE1-CB 4.07Å; Y1787-N1913 WeakPolarHBondContact O-CA 3.3Å; Y1787-N1913 WeakPolarHBondContact O-CB 3.32Å
1788I68.2Low76.6Confident24 Ų2457.2 Ų57.212%0.12327%0.27CS..  trans-92.2126.6-172.2-62165.2000109.7Q1318 R1786 P1916Q1318-I1788 VanDerWaalsContact OE1-CD1 3.26Å; R1786-I1788 HydrophobicContact CG-CG1 4.2Å; I1788-P1916 HydrophobicContact CG2-CB 4.11Å
1789R70Confident77Confident75 Ų7553 Ų5328%0.28325%0.251SS..  trans-152.2139.7177.7-178.5171.9176.5159-2109.8V1383 Y1787 L1791 Q1910V1383-R1789 HydrophobicContact CG2-CG 4.45Å; Y1787-R1789 HydrophobicContact CD1-CB 4.35Å; Y1787-R1789 HydrophobicContact CE1-CB 4.07Å; R1789-L1791 HydrophobicContact CG-CD2 4.07Å; R1789-L1791 HydrophobicContact CG-CG 4.31Å; R1789-Q1910 PolarHBondContact O-NE2 3.48Å; R1789-Q1910 VanDerWaalsContact O-NE2 3.15Å; R1789-Q1910 PolarHBondContact O-OE1 3.49Å; R1789-Q1910 VanDerWaalsContact O-OE1 3.12Å
1790D73.8Confident77.4Confident48 Ų4850 Ų5026%0.25724%0.24SC..  trans-90.7129.9167.9-177.728.9000110.9Y1792 P1793 P1916D1790-Y1792 VanDerWaalsContact OD1-CB 3.31Å; D1790-Y1792 WeakPolarHBondContact OD1-CB 3.4Å; D1790-Y1792 PolarHBondContact OD1-N 3.35Å; D1790-P1793 WeakPolarHBondContact OD2-CD 3.4Å; D1790-P1916 HydrophobicContact CB-CG 4.19Å
1791L80.9Confident77.9Confident1 Ų153.4 Ų53.41%0.00526%0.257CS..  trans-123.10.5177.5-56.4165000111.5R1789 I1794 M1795 V1906 W1909 Q1910R1789-L1791 HydrophobicContact CG-CD2 4.07Å; R1789-L1791 HydrophobicContact CG-CG 4.31Å; L1791-I1794 HydrophobicContact CD2-CD1 4.07Å; L1791-I1794 WeakPolarHBondContact O-CA 3.48Å; L1791-I1794 WeakPolarHBondContact O-CB 3.42Å; L1791-I1794 PolarHBondContact O-N 2.67Å; L1791-M1795 WeakPolarHBondContact O-CG 3.48Å; L1791-M1795 PolarHBondContact O-N 2.96Å; L1791-V1906 HydrophobicContact CB-CG1 3.78Å; L1791-V1906 HydrophobicContact CD1-CG1 4.21Å; L1791-V1906 HydrophobicContact CG-CG1 4.46Å; L1791-W1909 HydrophobicContact CD1-CB 3.92Å; L1791-W1909 HydrophobicContact CD1-CD2 3.49Å; L1791-W1909 VanDerWaalsContact CD1-CD2 3.49Å; L1791-W1909 HydrophobicContact CD1-CE3 3.47Å; L1791-W1909 VanDerWaalsContact CD1-CE3 3.47Å; L1791-W1909 HydrophobicContact CD1-CG 3.7Å; L1791-W1909 HydrophobicContact CD1-CZ3 4.16Å; L1791-W1909 HydrophobicContact CD2-CD2 4.47Å; L1791-W1909 HydrophobicContact CD2-CE3 3.89Å; L1791-W1909 HydrophobicContact CD2-CH2 4.13Å; L1791-W1909 HydrophobicContact CD2-CZ3 3.69Å; L1791-W1909 HydrophobicContact CG-CE3 4.35Å; L1791-Q1910 HydrophobicContact CD1-CB 4.25Å; L1791-Q1910 VanDerWaalsContact CG-OE1 3.31Å
1792Y84.5Confident78.4Confident13 Ų1351 Ų515%0.05125%0.247CC..Hα-helixtrans-55.1-41.8-176.6-179.6-90.3000113.8D1790 I1794 M1795 F1796 R1849 Y1852D1790-Y1792 VanDerWaalsContact OD1-CB 3.31Å; D1790-Y1792 WeakPolarHBondContact OD1-CB 3.4Å; D1790-Y1792 PolarHBondContact OD1-N 3.35Å; Y1792-I1794 PolarHBondContact O-N 2.99Å; Y1792-M1795 WeakPolarHBondContact O-CB 3.22Å; Y1792-M1795 PolarHBondContact O-N 2.93Å; Y1792-M1795 VanDerWaalsContact O-N 3.11Å; Y1792-F1796 HydrophobicContact CE1-CB 4.15Å; Y1792-F1796 PolarHBondContact O-N 3.46Å; Y1792-R1849 WeakPolarHBondContact OH-CA 3.17Å; Y1792-R1849 WeakPolarHBondContact OH-CB 3.23Å; Y1792-R1849 WeakPolarHBondContact OH-CD 3.39Å; Y1792-Y1852 VanDerWaalsContact CB-CD2 3.42Å; Y1792-Y1852 VanDerWaalsContact CB-CE2 3.4Å; Y1792-Y1852 HydrophobicContact CD1-CD1 4.04Å; Y1792-Y1852 HydrophobicContact CD1-CD2 4.2Å; Y1792-Y1852 HydrophobicContact CD1-CE1 4.17Å; Y1792-Y1852 HydrophobicContact CD1-CE2 4.31Å; Y1792-Y1852 HydrophobicContact CD1-CG 4.07Å; Y1792-Y1852 HydrophobicContact CD2-CD1 4.27Å; Y1792-Y1852 AromaticContact CD2-CD2 3.61Å; Y1792-Y1852 HydrophobicContact CD2-CD2 3.61Å; Y1792-Y1852 HydrophobicContact CD2-CE2 4.4Å; Y1792-Y1852 AromaticContact CD2-CG 3.53Å; Y1792-Y1852 HydrophobicContact CD2-CG 3.53Å; Y1792-Y1852 HydrophobicContact CE1-CD1 4.34Å; Y1792-Y1852 AromaticContact CE2-CG 4Å; Y1792-Y1852 HydrophobicContact CE2-CG 4Å; Y1792-Y1852 HydrophobicContact CG-CD1 4.04Å; Y1792-Y1852 AromaticContact CG-CD2 3.44Å; Y1792-Y1852 HydrophobicContact CG-CD2 3.44Å; Y1792-Y1852 VanDerWaalsContact CG-CD2 3.44Å; Y1792-Y1852 HydrophobicContact CG-CE1 4.35Å; Y1792-Y1852 AromaticContact CG-CE2 3.77Å; Y1792-Y1852 HydrophobicContact CG-CE2 3.77Å; Y1792-Y1852 AromaticContact CG-CG 3.58Å; Y1792-Y1852 HydrophobicContact CG-CG 3.58Å
1793P77.9Confident79.1Confident41 Ų4147.2 Ų47.227%0.26623%0.229SC..Hα-helixtrans-59.6-33.6175.3-26.536.3000113.8D1790 G1797 L1923D1790-P1793 WeakPolarHBondContact OD2-CD 3.4Å; P1793-G1797 PolarHBondContact O-N 2.92Å; P1793-L1923 HydrophobicContact CB-CB 3.93Å; P1793-L1923 HydrophobicContact CB-CD2 3.69Å; P1793-L1923 HydrophobicContact CB-CG 4.35Å; P1793-L1923 HydrophobicContact CG-CB 4.05Å; P1793-L1923 HydrophobicContact CG-CD2 4.43Å
1794I83.5Confident79.8Confident78 Ų7849.7 Ų49.740%0.424%0.24SC..Hα-helixtrans-71.3-43176.2-57.1176.8000109.5L1791 Y1792 G1797 I1798 V1906L1791-I1794 HydrophobicContact CD2-CD1 4.07Å; L1791-I1794 WeakPolarHBondContact O-CA 3.48Å; L1791-I1794 WeakPolarHBondContact O-CB 3.42Å; L1791-I1794 PolarHBondContact O-N 2.67Å; Y1792-I1794 PolarHBondContact O-N 2.99Å; I1794-G1797 PolarHBondContact O-N 2.86Å; I1794-I1798 HydrophobicContact CG2-CD1 3.96Å; I1794-I1798 VanDerWaalsContact O-CG1 3.26Å; I1794-I1798 WeakPolarHBondContact O-CG1 3.4Å; I1794-I1798 PolarHBondContact O-N 3.11Å; I1794-V1906 HydrophobicContact CB-CG1 4.44Å; I1794-V1906 HydrophobicContact CG2-CG1 4.25Å; I1794-V1906 HydrophobicContact CG2-CG2 4.42Å
1795M88.5Confident81Confident0 Ų044.1 Ų44.10%022%0.217CC..Hα-helixtrans-60.5-47.5177-64.1176.158.700111.9L1791 Y1792 I1798 D1799 K1860 Y1903 V1906 Q1910L1791-M1795 WeakPolarHBondContact O-CG 3.48Å; L1791-M1795 PolarHBondContact O-N 2.96Å; Y1792-M1795 WeakPolarHBondContact O-CB 3.22Å; Y1792-M1795 PolarHBondContact O-N 2.93Å; Y1792-M1795 VanDerWaalsContact O-N 3.11Å; M1795-I1798 PolarHBondContact O-N 3.01Å; M1795-D1799 PolarHBondContact O-N 3.25Å; M1795-K1860 VanDerWaalsContact CE-NZ 3.31Å; M1795-Y1903 HydrophobicContact CB-CD2 4.13Å; M1795-Y1903 HydrophobicContact CB-CE2 3.89Å; M1795-Y1903 HydrophobicContact CE-CE2 3.82Å; M1795-V1906 HydrophobicContact CG-CB 4.25Å; M1795-V1906 HydrophobicContact CG-CG1 3.57Å; M1795-V1906 HydrophobicContact SD-CG1 4.38Å; M1795-Q1910 HydrophobicContact SD-CB 4.09Å; M1795-Q1910 HydrophobicContact SD-CG 4.37Å
1796F86.7Confident81.9Confident61 Ų6141.3 Ų41.327%0.26821%0.205SC..Hα-helixtrans-61.6-43.2174.9178.1-103.1000112.1Y1792 I1798 D1799 V1800 I1845Y1792-F1796 HydrophobicContact CE1-CB 4.15Å; Y1792-F1796 PolarHBondContact O-N 3.46Å; F1796-I1798 VanDerWaalsContact C-N 3.32Å; F1796-I1798 PolarHBondContact O-N 3.29Å; F1796-D1799 PolarHBondContact O-N 3.47Å; F1796-D1799 VanDerWaalsContact O-N 3.16Å; F1796-V1800 HydrophobicContact CD1-CG2 4.21Å; F1796-V1800 HydrophobicContact CE1-CG2 3.74Å; F1796-V1800 HydrophobicContact CE2-CG2 4.09Å; F1796-V1800 HydrophobicContact CZ-CG2 3.68Å; F1796-V1800 WeakPolarHBondContact O-CG2 3.46Å; F1796-V1800 PolarHBondContact O-N 3.4Å; F1796-I1845 HydrophobicContact CD2-CG2 4.15Å; F1796-I1845 HydrophobicContact CE2-CG2 3.9Å
1797G84.2Confident82.4Confident29 Ų2939.6 Ų39.630%0.29921%0.205SC..Hα-helixtrans-59.3-40.7175.500000113.1P1793 I1794 V1800 I1801P1793-G1797 PolarHBondContact O-N 2.92Å; I1794-G1797 PolarHBondContact O-N 2.86Å; G1797-V1800 PolarHBondContact O-N 3.46Å; G1797-I1801 VanDerWaalsContact O-CG1 3.32Å; G1797-I1801 WeakPolarHBondContact O-CG1 3.42Å; G1797-I1801 PolarHBondContact O-N 2.82Å; G1797-I1801 VanDerWaalsContact O-N 3.09Å
1798I91Very high83.1Confident24 Ų2444.1 Ų44.112%0.12323%0.226CC..Hα-helixtrans-66.2-39175.4-65.3165.7000111.1I1794 M1795 F1796 I1801 C1802 I1899 V1906I1794-I1798 HydrophobicContact CG2-CD1 3.96Å; I1794-I1798 VanDerWaalsContact O-CG1 3.26Å; I1794-I1798 WeakPolarHBondContact O-CG1 3.4Å; I1794-I1798 PolarHBondContact O-N 3.11Å; M1795-I1798 PolarHBondContact O-N 3.01Å; F1796-I1798 VanDerWaalsContact C-N 3.32Å; F1796-I1798 PolarHBondContact O-N 3.29Å; I1798-I1801 WeakPolarHBondContact O-CB 3.48Å; I1798-I1801 PolarHBondContact O-N 3.18Å; I1798-C1802 PolarHBondContact O-N 3.36Å; I1798-C1802 PolarHBondContact O-SG 2.79Å; I1798-I1899 HydrophobicContact CG2-CG2 3.58Å; I1798-I1899 VanDerWaalsContact CG2-O 3.32Å; I1798-I1899 WeakPolarHBondContact CG2-O 3.18Å; I1798-V1906 HydrophobicContact CD1-CG2 4.02Å
1799D90Very high83.4Confident2 Ų243.4 Ų43.41%0.01123%0.225CC..Hα-helixtrans-71.7-32.6177.5-87.5-10.2000113.8M1795 F1796 I1801 C1802 F1803 I1845 K1900 Y1903M1795-D1799 PolarHBondContact O-N 3.25Å; F1796-D1799 PolarHBondContact O-N 3.47Å; F1796-D1799 VanDerWaalsContact O-N 3.16Å; D1799-I1801 VanDerWaalsContact C-N 3.32Å; D1799-C1802 WeakPolarHBondContact O-CB 3.39Å; D1799-C1802 PolarHBondContact O-N 2.93Å; D1799-F1803 WeakPolarHBondContact O-CB 3.09Å; D1799-F1803 PolarHBondContact O-N 3.16Å; D1799-I1845 HydrophobicContact CB-CD1 4.19Å; D1799-I1845 HydrophobicContact CB-CG1 3.95Å; D1799-K1900 IonicContact OD1-NZ 3.59Å; D1799-K1900 PolarHBondContact OD1-NZ 2.92Å; D1799-K1900 IonicContact OD2-NZ 2.66Å; D1799-K1900 PolarHBondContact OD2-NZ 3.43Å; D1799-Y1903 WeakPolarHBondContact OD2-CE2 3.48Å
1800V85.1Confident83.6Confident47 Ų4741.4 Ų41.429%0.28522%0.218SC..Hα-helixtrans-63.6-38.7168.3172.20000111F1796 G1797 F1803 L1804F1796-V1800 HydrophobicContact CD1-CG2 4.21Å; F1796-V1800 HydrophobicContact CE1-CG2 3.74Å; F1796-V1800 HydrophobicContact CE2-CG2 4.09Å; F1796-V1800 HydrophobicContact CZ-CG2 3.68Å; F1796-V1800 WeakPolarHBondContact O-CG2 3.46Å; F1796-V1800 PolarHBondContact O-N 3.4Å; G1797-V1800 PolarHBondContact O-N 3.46Å; V1800-F1803 WeakPolarHBondContact O-CB 3.49Å; V1800-F1803 PolarHBondContact O-N 3.46Å; V1800-L1804 HydrophobicContact CG1-CD1 4.36Å; V1800-L1804 WeakPolarHBondContact O-CG 3.29Å; V1800-L1804 PolarHBondContact O-N 3.03Å
1801I88.3Confident83.6Confident82 Ų8240.8 Ų40.842%0.42122%0.217SC..Hα-helixtrans-64.9-42.6173.5-66.9164.1000110.8G1797 I1798 D1799 F1803 L1804 I1805 I1899G1797-I1801 VanDerWaalsContact O-CG1 3.32Å; G1797-I1801 WeakPolarHBondContact O-CG1 3.42Å; G1797-I1801 PolarHBondContact O-N 2.82Å; G1797-I1801 VanDerWaalsContact O-N 3.09Å; I1798-I1801 WeakPolarHBondContact O-CB 3.48Å; I1798-I1801 PolarHBondContact O-N 3.18Å; D1799-I1801 VanDerWaalsContact C-N 3.32Å; I1801-F1803 VanDerWaalsContact C-N 3.32Å; I1801-F1803 PolarHBondContact O-N 3.12Å; I1801-L1804 PolarHBondContact O-N 2.73Å; I1801-I1805 HydrophobicContact CG2-CD1 3.85Å; I1801-I1805 HydrophobicContact CG2-CG1 4.47Å; I1801-I1805 WeakPolarHBondContact O-CG1 3.32Å; I1801-I1805 PolarHBondContact O-N 3.32Å; I1801-I1899 HydrophobicContact CG2-CD1 4.04Å; I1801-I1899 HydrophobicContact CG2-CG2 4.15Å
1802C89.5Confident83.3Confident1 Ų141.4 Ų41.41%0.00722%0.222CC..Hα-helixtrans-58.3-43.3172.8-66.50000111.9I1798 D1799 I1805 M1806 M1841I1798-C1802 PolarHBondContact O-N 3.36Å; I1798-C1802 PolarHBondContact O-SG 2.79Å; D1799-C1802 WeakPolarHBondContact O-CB 3.39Å; D1799-C1802 PolarHBondContact O-N 2.93Å; C1802-I1805 PolarHBondContact O-N 3.43Å; C1802-M1806 WeakPolarHBondContact O-CG 3.49Å; C1802-M1806 PolarHBondContact O-N 2.66Å; C1802-M1841 HydrophobicContact CB-CE 3.57Å
1803F87.3Confident82.8Confident61 Ų6140.9 Ų40.927%0.26822%0.22SC..Hα-helixtrans-60.8-45176.9-175.1-87.9000112.4D1799 V1800 I1801 M1806 T1807 L1838 T1842D1799-F1803 WeakPolarHBondContact O-CB 3.09Å; D1799-F1803 PolarHBondContact O-N 3.16Å; V1800-F1803 WeakPolarHBondContact O-CB 3.49Å; V1800-F1803 PolarHBondContact O-N 3.46Å; I1801-F1803 VanDerWaalsContact C-N 3.32Å; I1801-F1803 PolarHBondContact O-N 3.12Å; F1803-M1806 HydrophobicContact CD2-CE 4.44Å; F1803-M1806 PolarHBondContact O-N 3.39Å; F1803-T1807 WeakPolarHBondContact O-CB 3.28Å; F1803-T1807 PolarHBondContact O-N 2.75Å; F1803-T1807 PolarHBondContact O-OG1 3.01Å; F1803-L1838 HydrophobicContact CE2-CD1 4.35Å; F1803-L1838 HydrophobicContact CE2-CD2 3.76Å; F1803-L1838 HydrophobicContact CE2-CG 3.76Å; F1803-L1838 HydrophobicContact CZ-CD1 4.35Å; F1803-L1838 HydrophobicContact CZ-CD2 4.18Å; F1803-L1838 HydrophobicContact CZ-CG 4.23Å; F1803-T1842 HydrophobicContact CD2-CG2 4.36Å; F1803-T1842 HydrophobicContact CE2-CG2 3.79Å
1804L85.8Confident82.4Confident79 Ų7939.4 Ų39.441%0.41421%0.213SC..Hα-helixtrans-64.1-40.5175.5-69.9172.8000112.2V1800 I1801 T1807 F1808V1800-L1804 HydrophobicContact CG1-CD1 4.36Å; V1800-L1804 WeakPolarHBondContact O-CG 3.29Å; V1800-L1804 PolarHBondContact O-N 3.03Å; I1801-L1804 PolarHBondContact O-N 2.73Å; L1804-T1807 PolarHBondContact O-N 3.18Å; L1804-F1808 HydrophobicContact CB-CD2 4.28Å; L1804-F1808 HydrophobicContact CB-CE2 4.18Å; L1804-F1808 HydrophobicContact CD2-CE2 4.08Å; L1804-F1808 WeakPolarHBondContact O-CD2 3.39Å; L1804-F1808 PolarHBondContact O-N 3.32Å
1805I86.5Confident81.4Confident37 Ų3743.7 Ų43.719%0.1923%0.231CC..Hα-helixtrans-64-41.5178.4-73.3169.9000111.8I1801 C1802 G1809 V1892 A1895 I1899I1801-I1805 HydrophobicContact CG2-CD1 3.85Å; I1801-I1805 HydrophobicContact CG2-CG1 4.47Å; I1801-I1805 WeakPolarHBondContact O-CG1 3.32Å; I1801-I1805 PolarHBondContact O-N 3.32Å; C1802-I1805 PolarHBondContact O-N 3.43Å; I1805-G1809 WeakPolarHBondContact O-CA 3.41Å; I1805-G1809 PolarHBondContact O-N 3.4Å; I1805-V1892 HydrophobicContact CG2-CG1 4.03Å; I1805-A1895 HydrophobicContact CG2-CB 4.48Å; I1805-I1899 HydrophobicContact CD1-CD1 3.34Å
1806M82.9Confident79.9Confident2 Ų246 Ų461%0.0125%0.254CS..Hα-helixtrans-64-42.8173.5-66.6-177.8-6000111.9C1802 F1803 G1809 Y1810 F1813 L1834 M1837 M1841 L1896C1802-M1806 WeakPolarHBondContact O-CG 3.49Å; C1802-M1806 PolarHBondContact O-N 2.66Å; F1803-M1806 HydrophobicContact CD2-CE 4.44Å; F1803-M1806 PolarHBondContact O-N 3.39Å; M1806-G1809 CarbonylContact O-C 3.56Å; M1806-G1809 PolarHBondContact O-N 3.3Å; M1806-Y1810 PolarHBondContact O-N 3.47Å; M1806-F1813 HydrophobicContact CG-CZ 4.47Å; M1806-L1834 HydrophobicContact CB-CD1 4.35Å; M1806-L1834 WeakPolarHBondContact O-CD1 3.48Å; M1806-M1837 HydrophobicContact CG-CE 4.35Å; M1806-M1837 HydrophobicContact SD-CB 3.96Å; M1806-M1837 HydrophobicContact SD-CE 3.98Å; M1806-M1841 HydrophobicContact CE-CB 3.63Å; M1806-M1841 HydrophobicContact CE-CE 4.43Å; M1806-M1841 HydrophobicContact CE-CG 3.56Å; M1806-M1841 HydrophobicContact SD-CG 3.96Å; M1806-L1896 HydrophobicContact CG-CD1 3.5Å; M1806-L1896 VanDerWaalsContact CG-CD1 3.5Å; M1806-L1896 HydrophobicContact SD-CD1 3.98Å
1807T79.3Confident78.3Confident60 Ų6044.4 Ų44.437%0.36826%0.255SS..Hα-helixtrans-66.3-45.5-177-54.50000111.9F1803 L1804F1803-T1807 WeakPolarHBondContact O-CB 3.28Å; F1803-T1807 PolarHBondContact O-N 2.75Å; F1803-T1807 PolarHBondContact O-OG1 3.01Å; L1804-T1807 PolarHBondContact O-N 3.18Å
1808F80.8Confident77Confident161 Ų16146.9 Ų46.971%0.70627%0.268SS*.Hα-helixtrans-75.2-31.4175.9-67-54.6000112.8L1804 Y1810L1804-F1808 HydrophobicContact CB-CD2 4.28Å; L1804-F1808 HydrophobicContact CB-CE2 4.18Å; L1804-F1808 HydrophobicContact CD2-CE2 4.08Å; L1804-F1808 WeakPolarHBondContact O-CD2 3.39Å; L1804-F1808 PolarHBondContact O-N 3.32Å; F1808-Y1810 VanDerWaalsContact C-N 3.29Å; F1808-Y1810 PolarHBondContact O-N 3.37Å
1809G74.7Confident75.3Confident9 Ų948.1 Ų48.19%0.09329%0.287CS..THydrogen-bonded Turntrans-86.517.1-179.700000115.2I1805 M1806 S1811 A1812 F1813I1805-G1809 WeakPolarHBondContact O-CA 3.41Å; I1805-G1809 PolarHBondContact O-N 3.4Å; M1806-G1809 CarbonylContact O-C 3.56Å; M1806-G1809 PolarHBondContact O-N 3.3Å; G1809-S1811 PolarHBondContact O-N 3.36Å; G1809-S1811 VanDerWaalsContact O-N 3.1Å; G1809-A1812 WeakPolarHBondContact O-CB 3.48Å; G1809-A1812 PolarHBondContact O-N 3.31Å; G1809-F1813 WeakPolarHBondContact O-CD2 3.18Å
1810Y74.9Confident73.9Confident34 Ų3451.9 Ų51.913%0.13331%0.307CS..G310 helixtrans-51.5-36.8-172.180.4-78.7000114M1806 F1808 A1812 F1813 V1821 D1824M1806-Y1810 PolarHBondContact O-N 3.47Å; F1808-Y1810 VanDerWaalsContact C-N 3.29Å; F1808-Y1810 PolarHBondContact O-N 3.37Å; Y1810-A1812 PolarHBondContact O-N 3.41Å; Y1810-F1813 PolarHBondContact O-N 3.39Å; Y1810-V1821 HydrophobicContact CE1-CG2 3.63Å; Y1810-V1821 VanDerWaalsContact OH-CA 3.23Å; Y1810-V1821 WeakPolarHBondContact OH-CA 3.32Å; Y1810-V1821 PolarHBondContact OH-N 2.91Å; Y1810-V1821 VanDerWaalsContact OH-N 3.15Å; Y1810-D1824 HydrophobicContact CE2-CB 3.95Å; Y1810-D1824 VanDerWaalsContact CE2-OD2 3.31Å; Y1810-D1824 WeakPolarHBondContact CE2-OD2 3.33Å; Y1810-D1824 PolarHBondContact OH-OD2 3.38Å
1811S72.5Confident72.7Confident35 Ų3553.6 Ų53.625%0.24532%0.318CS..G310 helixtrans-67.8-19.3-179.6600000114.2G1809G1809-S1811 PolarHBondContact O-N 3.36Å; G1809-S1811 VanDerWaalsContact O-N 3.1Å
1812A74.6Confident71.3Confident13 Ų1354 Ų5411%0.10732%0.32CS..G310 helixtrans-87.8-8.3-17800000114.1G1809 Y1810 N1890 V1892G1809-A1812 WeakPolarHBondContact O-CB 3.48Å; G1809-A1812 PolarHBondContact O-N 3.31Å; Y1810-A1812 PolarHBondContact O-N 3.41Å; A1812-N1890 PolarHBondContact O-ND2 3.17Å; A1812-V1892 HydrophobicContact CB-CB 3.76Å; A1812-V1892 HydrophobicContact CB-CG1 4.47Å; A1812-V1892 HydrophobicContact CB-CG2 3.53Å
1813F75.8Confident70Confident2 Ų256.5 Ų56.51%0.00933%0.334CS..SBendtrans-100.2-10.9178.5-61.3-73.9000113.6M1806 G1809 Y1810 T1833 L1834 M1837 L1879 T1883 V1892 L1896M1806-F1813 HydrophobicContact CG-CZ 4.47Å; G1809-F1813 WeakPolarHBondContact O-CD2 3.18Å; Y1810-F1813 PolarHBondContact O-N 3.39Å; F1813-T1833 PolarHBondContact O-OG1 3.16Å; F1813-L1834 HydrophobicContact CD2-CD1 4.03Å; F1813-M1837 HydrophobicContact CD1-CE 4.15Å; F1813-M1837 HydrophobicContact CD1-SD 3.78Å; F1813-M1837 HydrophobicContact CE1-CE 3.56Å; F1813-M1837 HydrophobicContact CE1-SD 3.84Å; F1813-M1837 HydrophobicContact CG-SD 4.5Å; F1813-M1837 HydrophobicContact CZ-CE 3.93Å; F1813-L1879 HydrophobicContact CD1-CD1 4.06Å; F1813-L1879 HydrophobicContact CD1-CD2 4.25Å; F1813-L1879 HydrophobicContact CE1-CD2 4.3Å; F1813-T1883 WeakPolarHBondContact O-CG2 3.38Å; F1813-V1892 HydrophobicContact CE2-CG1 3.6Å; F1813-V1892 HydrophobicContact CZ-CB 4.49Å; F1813-V1892 HydrophobicContact CZ-CG1 3.6Å; F1813-L1896 HydrophobicContact CZ-CD1 4.21Å
1814G67.7Low68.9Low11 Ų1154.5 Ų54.511%0.11333%0.326CS..SBendtrans-100.8172.7175.700000113.5G1816G1814-G1816 PolarHBondContact O-N 3.3Å
1815E64.2Low67.8Low167 Ų16755.6 Ų55.678%0.7834%0.336SS*.SBendtrans-72.7-7-175.1-64.4-179.514900114.6
1816G57Low66.5Low48 Ų4858.9 Ų58.950%0.49535%0.348SS..  trans160.374.7172.200000115.3G1814G1814-G1816 PolarHBondContact O-N 3.3Å
1817G53.2Low65.6Low28 Ų2861.2 Ų61.229%0.28937%0.368SS..  trans-77.2145.8170.700000112.2G1819G1817-G1819 PolarHBondContact O-N 3.04Å; G1817-G1819 VanDerWaalsContact O-N 3.16Å
1818S55.1Low64.9Low81 Ų8163.3 Ų63.357%0.56639%0.385SS*.  trans-72.4-3.9-178.465.50000114.1N1820S1818-N1820 PolarHBondContact O-N 3.34Å; S1818-N1820 WeakPolarHBondContact OG-CB 3.32Å; S1818-N1820 PolarHBondContact OG-N 3.39Å
1819G57.1Low64.1Low51 Ų5164 Ų6453%0.52638%0.383SS..SBendtrans80.4-9.8-16900000113.3G1817G1817-G1819 PolarHBondContact O-N 3.04Å; G1817-G1819 VanDerWaalsContact O-N 3.16Å
1820N59.8Low63.6Low81 Ų8169.3 Ų69.343%0.43341%0.408SS..  trans-100.3105.1-176.8-163.615.2000110.8S1818 L1822 D1823 D1824S1818-N1820 PolarHBondContact O-N 3.34Å; S1818-N1820 WeakPolarHBondContact OG-CB 3.32Å; S1818-N1820 PolarHBondContact OG-N 3.39Å; N1820-L1822 PolarHBondContact O-N 2.66Å; N1820-D1823 HydrophobicContact CB-CB 4.45Å; N1820-D1823 WeakPolarHBondContact CB-OD2 3.35Å; N1820-D1823 PolarHBondContact ND2-OD2 2.96Å; N1820-D1823 PolarHBondContact O-N 3.46Å; N1820-D1824 PolarHBondContact O-N 3.26Å
1821V60.2Low63.4Low82 Ų8268.8 Ų68.850%0.49741%0.408SS..Hα-helixtrans-51.5-35-177.1-179.40000112Y1810 D1823 V1825Y1810-V1821 HydrophobicContact CE1-CG2 3.63Å; Y1810-V1821 VanDerWaalsContact OH-CA 3.23Å; Y1810-V1821 WeakPolarHBondContact OH-CA 3.32Å; Y1810-V1821 PolarHBondContact OH-N 2.91Å; Y1810-V1821 VanDerWaalsContact OH-N 3.15Å; V1821-D1823 VanDerWaalsContact C-N 3.3Å; V1821-D1823 PolarHBondContact O-N 2.93Å; V1821-V1825 HydrophobicContact CG1-CG2 4.12Å; V1821-V1825 VanDerWaalsContact O-CB 3.27Å; V1821-V1825 WeakPolarHBondContact O-CB 3.33Å; V1821-V1825 WeakPolarHBondContact O-CG2 3.34Å; V1821-V1825 PolarHBondContact O-N 3.36Å
1822L58.9Low63.7Low90 Ų9072.3 Ų72.347%0.47143%0.428SS..Hα-helixtrans-62-35.7177.9-114.380.8000113.2N1820 K1826 F2307N1820-L1822 PolarHBondContact O-N 2.66Å; L1822-K1826 WeakPolarHBondContact O-CB 3.49Å; L1822-K1826 WeakPolarHBondContact O-CD 3.37Å; L1822-K1826 WeakPolarHBondContact O-CG 3.46Å; L1822-K1826 PolarHBondContact O-N 3Å; L1822-F2307 HydrophobicContact CD2-CE2 4.31Å; L1822-F2307 HydrophobicContact CD2-CZ 4.3Å
1823D62.8Low63.9Low55 Ų5572.3 Ų72.329%0.29443%0.427SS..Hα-helixtrans-83.8-38.3-173.6-60-33.3000111.3N1820 V1821 V1825 K1826 A1827N1820-D1823 HydrophobicContact CB-CB 4.45Å; N1820-D1823 WeakPolarHBondContact CB-OD2 3.35Å; N1820-D1823 PolarHBondContact ND2-OD2 2.96Å; N1820-D1823 PolarHBondContact O-N 3.46Å; V1821-D1823 VanDerWaalsContact C-N 3.3Å; V1821-D1823 PolarHBondContact O-N 2.93Å; D1823-V1825 VanDerWaalsContact C-N 3.35Å; D1823-K1826 PolarHBondContact O-N 3.38Å; D1823-K1826 IonicContact OD1-NZ 3.54Å; D1823-K1826 PolarHBondContact OD1-NZ 3.38Å; D1823-A1827 WeakPolarHBondContact O-CB 3.32Å; D1823-A1827 PolarHBondContact O-N 3Å
1824D63.2Low64.1Low19 Ų1973 Ų7310%0.10243%0.43CS..Hα-helixtrans-67.2-35.3172.4-68.2-39000111.6Y1810 N1820 A1827 S1828 R1829Y1810-D1824 HydrophobicContact CE2-CB 3.95Å; Y1810-D1824 VanDerWaalsContact CE2-OD2 3.31Å; Y1810-D1824 WeakPolarHBondContact CE2-OD2 3.33Å; Y1810-D1824 PolarHBondContact OH-OD2 3.38Å; N1820-D1824 PolarHBondContact O-N 3.26Å; D1824-A1827 PolarHBondContact O-N 3.01Å; D1824-S1828 PolarHBondContact O-N 3.43Å; D1824-S1828 VanDerWaalsContact O-N 3.09Å; D1824-R1829 PolarHBondContact O-N 3.1Å
1825V62.8Low64.7Low102 Ų10275.9 Ų75.962%0.61845%0.446SS*.Hα-helixtrans-68.6-41.1170.9169.70000112V1821 D1823 A1827 S1828V1821-V1825 HydrophobicContact CG1-CG2 4.12Å; V1821-V1825 VanDerWaalsContact O-CB 3.27Å; V1821-V1825 WeakPolarHBondContact O-CB 3.33Å; V1821-V1825 WeakPolarHBondContact O-CG2 3.34Å; V1821-V1825 PolarHBondContact O-N 3.36Å; D1823-V1825 VanDerWaalsContact C-N 3.35Å; V1825-A1827 VanDerWaalsContact C-N 3.29Å; V1825-A1827 PolarHBondContact O-N 3.22Å; V1825-S1828 PolarHBondContact O-N 3.11Å
1826K59.6Low65.6Low106 Ų10671.5 Ų71.546%0.46143%0.43SS..Hα-helixtrans-59.1-42.1172.3-77.1166.1-153.3165.60111.4L1822 D1823 S1828L1822-K1826 WeakPolarHBondContact O-CB 3.49Å; L1822-K1826 WeakPolarHBondContact O-CD 3.37Å; L1822-K1826 WeakPolarHBondContact O-CG 3.46Å; L1822-K1826 PolarHBondContact O-N 3Å; D1823-K1826 PolarHBondContact O-N 3.38Å; D1823-K1826 IonicContact OD1-NZ 3.54Å; D1823-K1826 PolarHBondContact OD1-NZ 3.38Å; K1826-S1828 PolarHBondContact O-N 3.13Å
1827A63.9Low66.9Low51 Ų5170.1 Ų70.142%0.42141%0.411SS..THydrogen-bonded Turntrans-76.3-7179.700000113.7D1823 D1824 V1825 R1829D1823-A1827 WeakPolarHBondContact O-CB 3.32Å; D1823-A1827 PolarHBondContact O-N 3Å; D1824-A1827 PolarHBondContact O-N 3.01Å; V1825-A1827 VanDerWaalsContact C-N 3.29Å; V1825-A1827 PolarHBondContact O-N 3.22Å; A1827-R1829 HydrophobicContact CB-CB 4.2Å; A1827-R1829 HydrophobicContact CB-CG 3.73Å; A1827-R1829 PolarHBondContact O-N 2.85Å; A1827-R1829 VanDerWaalsContact O-N 3.17Å
1828S64.3Low68.4Low103 Ų10371.4 Ų71.472%0.7241%0.411SS*.THydrogen-bonded Turntrans53.726.5-170.6-55.30000113.6D1824 V1825 K1826 I1830D1824-S1828 PolarHBondContact O-N 3.43Å; D1824-S1828 VanDerWaalsContact O-N 3.09Å; V1825-S1828 PolarHBondContact O-N 3.11Å; K1826-S1828 PolarHBondContact O-N 3.13Å; S1828-I1830 PolarHBondContact O-N 3.1Å
1829R63Low69.9Low176 Ų17671.1 Ų71.166%0.66441%0.406SS*.  trans-90.774.1-176-72.6179.8-176.8-176.80.7110.8D1824 A1827 P1831D1824-R1829 PolarHBondContact O-N 3.1Å; A1827-R1829 HydrophobicContact CB-CB 4.2Å; A1827-R1829 HydrophobicContact CB-CG 3.73Å; A1827-R1829 PolarHBondContact O-N 2.85Å; A1827-R1829 VanDerWaalsContact O-N 3.17Å; R1829-P1831 WeakPolarHBondContact O-CD 3.42Å
1830I65.6Low71.3Confident121 Ų12170.6 Ų70.662%0.62140%0.4SS*.  trans-84.2119.3166.4-54.7177.8000107.8S1828 V1832 L1834 V1835S1828-I1830 PolarHBondContact O-N 3.1Å; I1830-V1832 PolarHBondContact O-N 3.47Å; I1830-L1834 HydrophobicContact CG2-CD2 4.39Å; I1830-V1835 HydrophobicContact CG2-CG2 3.61Å
1831P70.8Confident72.6Confident22 Ų2267.7 Ų67.714%0.14338%0.384CS..  trans-60.7128.4-180-24.134.7000111.7R1829 T1833 L1834 V1835R1829-P1831 WeakPolarHBondContact O-CD 3.42Å; P1831-T1833 WeakPolarHBondContact CB-OG1 3.42Å; P1831-T1833 PolarHBondContact O-N 3.27Å; P1831-L1834 HydrophobicContact CB-CB 4.09Å; P1831-L1834 WeakPolarHBondContact O-CB 3.2Å; P1831-L1834 PolarHBondContact O-N 3.38Å; P1831-V1835 PolarHBondContact O-N 3.31Å
1832V77.4Confident73.9Confident109 Ų10966.1 Ų66.166%0.66138%0.375SS*.Hα-helixtrans-59.4-37.9179.2-178.30000111I1830 L1834 V1835 V1836I1830-V1832 PolarHBondContact O-N 3.47Å; V1832-L1834 VanDerWaalsContact C-N 3.32Å; V1832-L1834 PolarHBondContact O-N 3.09Å; V1832-V1835 PolarHBondContact O-N 3.49Å; V1832-V1836 HydrophobicContact CG1-CG2 4.42Å; V1832-V1836 WeakPolarHBondContact O-CG2 3.42Å; V1832-V1836 PolarHBondContact O-N 3.24Å
1833T79.9Confident75.3Confident13 Ų1366.3 Ų66.38%0.0838%0.376CS..Hα-helixtrans-51.7-46.1171.245.60000112.6F1813 P1831 M1837 M1882F1813-T1833 PolarHBondContact O-OG1 3.16Å; P1831-T1833 WeakPolarHBondContact CB-OG1 3.42Å; P1831-T1833 PolarHBondContact O-N 3.27Å; T1833-M1837 WeakPolarHBondContact O-CB 3.38Å; T1833-M1837 VanDerWaalsContact O-CG 3.24Å; T1833-M1837 WeakPolarHBondContact O-CG 3.29Å; T1833-M1837 PolarHBondContact O-N 2.93Å; T1833-M1882 HydrophobicContact CG2-CE 3.73Å; T1833-M1882 HydrophobicContact CG2-SD 4.05Å
1834L79.7Confident76.5Confident16 Ų1664 Ų648%0.08436%0.364CS..Hα-helixtrans-65.7-44.4177.917873.8000111.7M1806 F1813 I1830 P1831 V1832 V1836 M1837 L1838M1806-L1834 HydrophobicContact CB-CD1 4.35Å; M1806-L1834 WeakPolarHBondContact O-CD1 3.48Å; F1813-L1834 HydrophobicContact CD2-CD1 4.03Å; I1830-L1834 HydrophobicContact CG2-CD2 4.39Å; P1831-L1834 HydrophobicContact CB-CB 4.09Å; P1831-L1834 WeakPolarHBondContact O-CB 3.2Å; P1831-L1834 PolarHBondContact O-N 3.38Å; V1832-L1834 VanDerWaalsContact C-N 3.32Å; V1832-L1834 PolarHBondContact O-N 3.09Å; L1834-V1836 PolarHBondContact O-N 3.3Å; L1834-M1837 PolarHBondContact O-N 3.37Å; L1834-L1838 WeakPolarHBondContact O-CB 3.41Å; L1834-L1838 PolarHBondContact O-N 2.87Å
1835V81Confident77.7Confident72 Ų7264.5 Ų64.544%0.43637%0.367SS..Hα-helixtrans-61.7-46179.9-178.80000110.4I1830 P1831 V1832 M1837 L1838 V1839I1830-V1835 HydrophobicContact CG2-CG2 3.61Å; P1831-V1835 PolarHBondContact O-N 3.31Å; V1832-V1835 PolarHBondContact O-N 3.49Å; V1835-M1837 VanDerWaalsContact C-N 3.35Å; V1835-M1837 PolarHBondContact O-N 2.88Å; V1835-L1838 PolarHBondContact O-N 3.44Å; V1835-V1839 HydrophobicContact CG1-CG2 4.46Å; V1835-V1839 WeakPolarHBondContact O-CB 3.21Å; V1835-V1839 WeakPolarHBondContact O-CG2 3.25Å; V1835-V1839 PolarHBondContact O-N 2.92Å
1836V83.3Confident79Confident75 Ų7562 Ų6246%0.45535%0.349SS..Hα-helixtrans-61.2-42.6176.1173.30000111.2V1832 L1834 G1840 W1874V1832-V1836 HydrophobicContact CG1-CG2 4.42Å; V1832-V1836 WeakPolarHBondContact O-CG2 3.42Å; V1832-V1836 PolarHBondContact O-N 3.24Å; L1834-V1836 PolarHBondContact O-N 3.3Å; V1836-G1840 PolarHBondContact O-N 3.41Å; V1836-W1874 HydrophobicContact CG1-CH2 3.99Å; V1836-W1874 HydrophobicContact CG1-CZ2 4.29Å
1837M82.6Confident80.4Confident19 Ų1960.8 Ų60.89%0.09435%0.347CS..Hα-helixtrans-67.8-40178-74.2178.363.300113.1M1806 F1813 T1833 L1834 V1835 G1840 M1841 W1874 L1896M1806-M1837 HydrophobicContact CG-CE 4.35Å; M1806-M1837 HydrophobicContact SD-CB 3.96Å; M1806-M1837 HydrophobicContact SD-CE 3.98Å; F1813-M1837 HydrophobicContact CD1-CE 4.15Å; F1813-M1837 HydrophobicContact CD1-SD 3.78Å; F1813-M1837 HydrophobicContact CE1-CE 3.56Å; F1813-M1837 HydrophobicContact CE1-SD 3.84Å; F1813-M1837 HydrophobicContact CG-SD 4.5Å; F1813-M1837 HydrophobicContact CZ-CE 3.93Å; T1833-M1837 WeakPolarHBondContact O-CB 3.38Å; T1833-M1837 VanDerWaalsContact O-CG 3.24Å; T1833-M1837 WeakPolarHBondContact O-CG 3.29Å; T1833-M1837 PolarHBondContact O-N 2.93Å; L1834-M1837 PolarHBondContact O-N 3.37Å; V1835-M1837 VanDerWaalsContact C-N 3.35Å; V1835-M1837 PolarHBondContact O-N 2.88Å; M1837-G1840 PolarHBondContact O-N 2.95Å; M1837-M1841 WeakPolarHBondContact O-CB 3.32Å; M1837-M1841 WeakPolarHBondContact O-CG 3.4Å; M1837-M1841 PolarHBondContact O-N 3.12Å; M1837-W1874 HydrophobicContact CG-CZ2 4.27Å; M1837-W1874 PolarHBondContact SD-NE1 3.27Å; M1837-L1896 HydrophobicContact CE-CD1 3.59Å
1838L84.7Confident81.6Confident56 Ų5658.5 Ų58.529%0.29333%0.328SS..Hα-helixtrans-67.9-47.3179.7-165.5158.9000110.7F1803 L1834 V1835 M1841 T1842F1803-L1838 HydrophobicContact CE2-CD1 4.35Å; F1803-L1838 HydrophobicContact CE2-CD2 3.76Å; F1803-L1838 HydrophobicContact CE2-CG 3.76Å; F1803-L1838 HydrophobicContact CZ-CD1 4.35Å; F1803-L1838 HydrophobicContact CZ-CD2 4.18Å; F1803-L1838 HydrophobicContact CZ-CG 4.23Å; L1834-L1838 WeakPolarHBondContact O-CB 3.41Å; L1834-L1838 PolarHBondContact O-N 2.87Å; V1835-L1838 PolarHBondContact O-N 3.44Å; L1838-M1841 PolarHBondContact O-N 3.47Å; L1838-T1842 HydrophobicContact CD2-CG2 4.17Å; L1838-T1842 PolarHBondContact O-N 3.35Å; L1838-T1842 PolarHBondContact O-OG1 3.3Å
1839V86.4Confident82.8Confident75 Ų7555.6 Ų55.646%0.45530%0.301SS..Hα-helixtrans-63.9-41.8174.8174.50000111.3V1835 M1841 T1842 L1843V1835-V1839 HydrophobicContact CG1-CG2 4.46Å; V1835-V1839 WeakPolarHBondContact O-CB 3.21Å; V1835-V1839 WeakPolarHBondContact O-CG2 3.25Å; V1835-V1839 PolarHBondContact O-N 2.92Å; V1839-M1841 VanDerWaalsContact C-N 3.31Å; V1839-M1841 PolarHBondContact O-N 3.28Å; V1839-T1842 PolarHBondContact O-N 2.77Å; V1839-T1842 PolarHBondContact O-OG1 3.4Å; V1839-T1842 VanDerWaalsContact O-OG1 3.05Å; V1839-L1843 HydrophobicContact CG1-CD1 4.02Å; V1839-L1843 WeakPolarHBondContact O-CB 3.21Å; V1839-L1843 VanDerWaalsContact O-CG 3.3Å; V1839-L1843 WeakPolarHBondContact O-CG 3.37Å; V1839-L1843 PolarHBondContact O-N 3.14Å; V1839-L1843 VanDerWaalsContact O-N 3.07Å
1840G86.8Confident84Confident39 Ų3947.9 Ų47.940%0.40228%0.275SS..Hα-helixtrans-60.6-39.3175.900000112.8V1836 M1837 A1844V1836-G1840 PolarHBondContact O-N 3.41Å; M1837-G1840 PolarHBondContact O-N 2.95Å; G1840-A1844 VanDerWaalsContact O-CB 3.32Å; G1840-A1844 WeakPolarHBondContact O-CB 3.48Å; G1840-A1844 PolarHBondContact O-N 3.37Å
1841M88Confident85.1Confident21 Ų2143.7 Ų43.710%0.10325%0.254CS..Hα-helixtrans-77.9-34.2179.1-79.9-74.5-6400113.9C1802 M1806 M1837 L1838 V1839 A1844 I1845C1802-M1841 HydrophobicContact CB-CE 3.57Å; M1806-M1841 HydrophobicContact CE-CB 3.63Å; M1806-M1841 HydrophobicContact CE-CE 4.43Å; M1806-M1841 HydrophobicContact CE-CG 3.56Å; M1806-M1841 HydrophobicContact SD-CG 3.96Å; M1837-M1841 WeakPolarHBondContact O-CB 3.32Å; M1837-M1841 WeakPolarHBondContact O-CG 3.4Å; M1837-M1841 PolarHBondContact O-N 3.12Å; L1838-M1841 PolarHBondContact O-N 3.47Å; V1839-M1841 VanDerWaalsContact C-N 3.31Å; V1839-M1841 PolarHBondContact O-N 3.28Å; M1841-A1844 PolarHBondContact O-N 3.05Å; M1841-I1845 VanDerWaalsContact O-CG1 3.29Å; M1841-I1845 WeakPolarHBondContact O-CG1 3.42Å; M1841-I1845 PolarHBondContact O-N 3.29Å
1842T86.6Confident85.8Confident49 Ų4943.1 Ų43.130%0.30125%0.249SC..Hα-helixtrans-65.3-41.7171.953.70000111F1803 L1838 V1839 I1845 I1846F1803-T1842 HydrophobicContact CD2-CG2 4.36Å; F1803-T1842 HydrophobicContact CE2-CG2 3.79Å; L1838-T1842 HydrophobicContact CD2-CG2 4.17Å; L1838-T1842 PolarHBondContact O-N 3.35Å; L1838-T1842 PolarHBondContact O-OG1 3.3Å; V1839-T1842 PolarHBondContact O-N 2.77Å; V1839-T1842 PolarHBondContact O-OG1 3.4Å; V1839-T1842 VanDerWaalsContact O-OG1 3.05Å; T1842-I1845 PolarHBondContact O-N 3.4Å; T1842-I1846 WeakPolarHBondContact O-CD1 3.46Å; T1842-I1846 VanDerWaalsContact O-CG1 3.28Å; T1842-I1846 WeakPolarHBondContact O-CG1 3.37Å; T1842-I1846 PolarHBondContact O-N 3.12Å
1843L88.2Confident86.1Confident93 Ų9339.6 Ų39.649%0.48723%0.226SC..Hα-helixtrans-61.5-43171.8-70172000112V1839 I1845 I1846 I1847V1839-L1843 HydrophobicContact CG1-CD1 4.02Å; V1839-L1843 WeakPolarHBondContact O-CB 3.21Å; V1839-L1843 VanDerWaalsContact O-CG 3.3Å; V1839-L1843 WeakPolarHBondContact O-CG 3.37Å; V1839-L1843 PolarHBondContact O-N 3.14Å; V1839-L1843 VanDerWaalsContact O-N 3.07Å; L1843-I1845 PolarHBondContact O-N 2.92Å; L1843-I1846 PolarHBondContact O-N 3.49Å; L1843-I1847 WeakPolarHBondContact O-CB 3.48Å; L1843-I1847 VanDerWaalsContact O-CG1 3.28Å; L1843-I1847 WeakPolarHBondContact O-CG1 3.35Å; L1843-I1847 PolarHBondContact O-N 3.17Å
1844A88.7Confident86.4Confident6 Ų646.2 Ų46.25%0.0525%0.25CC..Hα-helixtrans-60.5-41.4176.700000112.7G1840 M1841 I1847 D1848 Y1863 M1867G1840-A1844 VanDerWaalsContact O-CB 3.32Å; G1840-A1844 WeakPolarHBondContact O-CB 3.48Å; G1840-A1844 PolarHBondContact O-N 3.37Å; M1841-A1844 PolarHBondContact O-N 3.05Å; A1844-I1847 PolarHBondContact O-N 2.85Å; A1844-D1848 WeakPolarHBondContact O-CB 3.19Å; A1844-D1848 PolarHBondContact O-N 3.13Å; A1844-Y1863 PolarHBondContact O-OH 3.27Å; A1844-M1867 HydrophobicContact CB-CE 4.28Å
1845I89Confident86.6Confident30 Ų3049 Ų4915%0.15426%0.261CS..Hα-helixtrans-64.5-42.3175.7-70164.6000111.3F1796 D1799 M1841 T1842 L1843 D1848 R1849F1796-I1845 HydrophobicContact CD2-CG2 4.15Å; F1796-I1845 HydrophobicContact CE2-CG2 3.9Å; D1799-I1845 HydrophobicContact CB-CD1 4.19Å; D1799-I1845 HydrophobicContact CB-CG1 3.95Å; M1841-I1845 VanDerWaalsContact O-CG1 3.29Å; M1841-I1845 WeakPolarHBondContact O-CG1 3.42Å; M1841-I1845 PolarHBondContact O-N 3.29Å; T1842-I1845 PolarHBondContact O-N 3.4Å; L1843-I1845 PolarHBondContact O-N 2.92Å; I1845-D1848 PolarHBondContact O-N 3.48Å; I1845-R1849 PolarHBondContact O-N 2.96Å
1846I89.1Confident86.9Confident49 Ų4947.7 Ų47.725%0.25126%0.255SS..Hα-helixtrans-63.8-45.7177.2-67.4164.4000110.6T1842 L1843 D1848 R1849 A1850 I1952 W1956T1842-I1846 WeakPolarHBondContact O-CD1 3.46Å; T1842-I1846 VanDerWaalsContact O-CG1 3.28Å; T1842-I1846 WeakPolarHBondContact O-CG1 3.37Å; T1842-I1846 PolarHBondContact O-N 3.12Å; L1843-I1846 PolarHBondContact O-N 3.49Å; I1846-D1848 PolarHBondContact O-N 2.86Å; I1846-R1849 PolarHBondContact O-N 3.39Å; I1846-A1850 WeakPolarHBondContact O-CB 3.47Å; I1846-A1850 PolarHBondContact O-N 3.44Å; I1846-I1952 HydrophobicContact CG1-CD1 4.03Å; I1846-W1956 HydrophobicContact CG2-CH2 3.49Å; I1846-W1956 VanDerWaalsContact CG2-CH2 3.49Å; I1846-W1956 HydrophobicContact CG2-CZ2 4.35Å; I1846-W1956 HydrophobicContact CG2-CZ3 4.08Å
1847I89.8Confident86.9Confident82 Ų8245.3 Ų45.342%0.42124%0.241SC..Hα-helixtrans-63-40.9177.4-68.5165.4000111L1843 A1844 A1850 L1851 Y1863L1843-I1847 WeakPolarHBondContact O-CB 3.48Å; L1843-I1847 VanDerWaalsContact O-CG1 3.28Å; L1843-I1847 WeakPolarHBondContact O-CG1 3.35Å; L1843-I1847 PolarHBondContact O-N 3.17Å; A1844-I1847 PolarHBondContact O-N 2.85Å; I1847-A1850 PolarHBondContact O-N 2.76Å; I1847-L1851 HydrophobicContact CG2-CD1 4.06Å; I1847-L1851 HydrophobicContact CG2-CG 4.43Å; I1847-L1851 WeakPolarHBondContact O-CB 3.36Å; I1847-L1851 WeakPolarHBondContact O-CG 3.47Å; I1847-L1851 PolarHBondContact O-N 2.89Å; I1847-Y1863 HydrophobicContact CG2-CD2 3.94Å; I1847-Y1863 HydrophobicContact CG2-CE2 4.03Å
1848D89.6Confident87.1Confident2 Ų248.2 Ų48.21%0.01126%0.26CS..Hα-helixtrans-64.4-45.1176.9-164.17.6000111.9A1844 I1845 I1846 A1850 L1851 Y1852 K1860 Y1903A1844-D1848 WeakPolarHBondContact O-CB 3.19Å; A1844-D1848 PolarHBondContact O-N 3.13Å; I1845-D1848 PolarHBondContact O-N 3.48Å; I1846-D1848 PolarHBondContact O-N 2.86Å; D1848-A1850 VanDerWaalsContact C-N 3.31Å; D1848-A1850 PolarHBondContact O-N 3.25Å; D1848-L1851 PolarHBondContact O-N 3.09Å; D1848-Y1852 WeakPolarHBondContact O-CB 3.48Å; D1848-Y1852 PolarHBondContact O-N 3.31Å; D1848-K1860 IonicContact OD1-NZ 3.71Å; D1848-K1860 PolarHBondContact OD1-NZ 3.45Å; D1848-K1860 IonicContact OD2-NZ 3.08Å; D1848-K1860 PolarHBondContact OD2-NZ 2.89Å; D1848-K1860 VanDerWaalsContact OD2-NZ 3.13Å; D1848-Y1903 PolarHBondContact OD2-OH 2.8Å
1849R88.5Confident87.3Confident42 Ų4246.5 Ų46.516%0.15826%0.255CS..Hα-helixtrans-61.2-39.7175.5-173.850.5170.4-168.2-2111.9Y1792 I1845 I1846 Y1852 L1853 I1952 D1953Y1792-R1849 WeakPolarHBondContact OH-CA 3.17Å; Y1792-R1849 WeakPolarHBondContact OH-CB 3.23Å; Y1792-R1849 WeakPolarHBondContact OH-CD 3.39Å; I1845-R1849 PolarHBondContact O-N 2.96Å; I1846-R1849 PolarHBondContact O-N 3.39Å; R1849-Y1852 PolarHBondContact O-N 3.03Å; R1849-L1853 HydrophobicContact CG-CD1 4.13Å; R1849-L1853 WeakPolarHBondContact O-CG 3.22Å; R1849-L1853 PolarHBondContact O-N 3.33Å; R1849-I1952 HydrophobicContact CB-CG2 4.22Å; R1849-I1952 HydrophobicContact CG-CG2 3.39Å; R1849-D1953 IonicContact CZ-OD1 3.34Å; R1849-D1953 IonicContact NE-OD1 3.45Å; R1849-D1953 PolarHBondContact NE-OD1 3.25Å; R1849-D1953 IonicContact NH2-OD1 3.46Å; R1849-D1953 PolarHBondContact NH2-OD1 3.03Å; R1849-D1953 IonicContact NH2-OD2 3.16Å; R1849-D1953 PolarHBondContact NH2-OD2 3.31Å
1850A87.3Confident87.4Confident15 Ų1542.9 Ų42.912%0.12423%0.233CC..Hα-helixtrans-64.6-43.6175.200000112.5I1846 I1847 D1848 L1853 R1854 W1956I1846-A1850 WeakPolarHBondContact O-CB 3.47Å; I1846-A1850 PolarHBondContact O-N 3.44Å; I1847-A1850 PolarHBondContact O-N 2.76Å; D1848-A1850 VanDerWaalsContact C-N 3.31Å; D1848-A1850 PolarHBondContact O-N 3.25Å; A1850-L1853 PolarHBondContact O-N 3.3Å; A1850-R1854 WeakPolarHBondContact O-CB 3.49Å; A1850-R1854 WeakPolarHBondContact O-CG 3.28Å; A1850-R1854 PolarHBondContact O-N 2.94Å; A1850-W1956 HydrophobicContact CB-CD2 3.71Å; A1850-W1956 HydrophobicContact CB-CE3 4.2Å; A1850-W1956 HydrophobicContact CB-CG 4.12Å; A1850-W1956 HydrophobicContact CB-CH2 4.44Å; A1850-W1956 HydrophobicContact CB-CZ2 3.91Å
1851L88.8Confident87.5Confident32 Ų3242.4 Ų42.417%0.16822%0.221CC..Hα-helixtrans-64.8-37.9176.4-74.2173.1000112.4I1847 D1848 K1855 S1856 K1860 Y1863I1847-L1851 HydrophobicContact CG2-CD1 4.06Å; I1847-L1851 HydrophobicContact CG2-CG 4.43Å; I1847-L1851 WeakPolarHBondContact O-CB 3.36Å; I1847-L1851 WeakPolarHBondContact O-CG 3.47Å; I1847-L1851 PolarHBondContact O-N 2.89Å; D1848-L1851 PolarHBondContact O-N 3.09Å; L1851-K1855 PolarHBondContact O-N 3.47Å; L1851-S1856 PolarHBondContact O-N 3.44Å; L1851-K1860 HydrophobicContact CD1-CD 4.5Å; L1851-Y1863 HydrophobicContact CD1-CD2 4.38Å; L1851-Y1863 HydrophobicContact CD1-CG 4Å
1852Y87.4Confident87.7Confident10 Ų1046.1 Ų46.14%0.03924%0.24CC..Hα-helixtrans-63.5-52.5173.4171.8-100.4000111.9Y1792 D1848 R1849 R1854 K1855 Y1915 C1919Y1792-Y1852 VanDerWaalsContact CB-CD2 3.42Å; Y1792-Y1852 VanDerWaalsContact CB-CE2 3.4Å; Y1792-Y1852 HydrophobicContact CD1-CD1 4.04Å; Y1792-Y1852 HydrophobicContact CD1-CD2 4.2Å; Y1792-Y1852 HydrophobicContact CD1-CE1 4.17Å; Y1792-Y1852 HydrophobicContact CD1-CE2 4.31Å; Y1792-Y1852 HydrophobicContact CD1-CG 4.07Å; Y1792-Y1852 HydrophobicContact CD2-CD1 4.27Å; Y1792-Y1852 AromaticContact CD2-CD2 3.61Å; Y1792-Y1852 HydrophobicContact CD2-CD2 3.61Å; Y1792-Y1852 HydrophobicContact CD2-CE2 4.4Å; Y1792-Y1852 AromaticContact CD2-CG 3.53Å; Y1792-Y1852 HydrophobicContact CD2-CG 3.53Å; Y1792-Y1852 HydrophobicContact CE1-CD1 4.34Å; Y1792-Y1852 AromaticContact CE2-CG 4Å; Y1792-Y1852 HydrophobicContact CE2-CG 4Å; Y1792-Y1852 HydrophobicContact CG-CD1 4.04Å; Y1792-Y1852 AromaticContact CG-CD2 3.44Å; Y1792-Y1852 HydrophobicContact CG-CD2 3.44Å; Y1792-Y1852 VanDerWaalsContact CG-CD2 3.44Å; Y1792-Y1852 HydrophobicContact CG-CE1 4.35Å; Y1792-Y1852 AromaticContact CG-CE2 3.77Å; Y1792-Y1852 HydrophobicContact CG-CE2 3.77Å; Y1792-Y1852 AromaticContact CG-CG 3.58Å; Y1792-Y1852 HydrophobicContact CG-CG 3.58Å; D1848-Y1852 WeakPolarHBondContact O-CB 3.48Å; D1848-Y1852 PolarHBondContact O-N 3.31Å; R1849-Y1852 PolarHBondContact O-N 3.03Å; Y1852-R1854 VanDerWaalsContact C-N 3.28Å; Y1852-R1854 PolarHBondContact O-N 3.29Å; Y1852-K1855 WeakPolarHBondContact O-CA 3.44Å; Y1852-K1855 PolarHBondContact O-N 2.97Å; Y1852-Y1915 HydrophobicContact CD2-CD1 4.02Å; Y1852-Y1915 AromaticContact CD2-CE1 3.78Å; Y1852-Y1915 HydrophobicContact CD2-CE1 3.78Å; Y1852-Y1915 HydrophobicContact CE2-CD1 4.34Å; Y1852-Y1915 HydrophobicContact CE2-CE1 4.47Å; Y1852-C1919 HydrophobicContact CE1-CB 4.43Å
1853L82.8Confident87.9Confident35 Ų3544.7 Ų44.718%0.18323%0.23CC..Hα-helixtrans-63.1-34.3179.8-69.4171.9000112.2R1849 A1850 K1855 W1956R1849-L1853 HydrophobicContact CG-CD1 4.13Å; R1849-L1853 WeakPolarHBondContact O-CG 3.22Å; R1849-L1853 PolarHBondContact O-N 3.33Å; A1850-L1853 PolarHBondContact O-N 3.3Å; L1853-K1855 VanDerWaalsContact C-N 3.3Å; L1853-K1855 PolarHBondContact O-N 3.49Å; L1853-W1956 HydrophobicContact CB-CB 4.06Å; L1853-W1956 HydrophobicContact CD1-CB 3.77Å
1854R85.1Confident88Confident152 Ų15240.4 Ų40.457%0.57421%0.207SC*.THydrogen-bonded Turntrans-78.8-4.2171.5-70.5-64.3-159.6-160.91.6114.5A1850 Y1852 S1856 D1958A1850-R1854 WeakPolarHBondContact O-CB 3.49Å; A1850-R1854 WeakPolarHBondContact O-CG 3.28Å; A1850-R1854 PolarHBondContact O-N 2.94Å; Y1852-R1854 VanDerWaalsContact C-N 3.28Å; Y1852-R1854 PolarHBondContact O-N 3.29Å; R1854-S1856 PolarHBondContact O-N 2.93Å; R1854-S1856 VanDerWaalsContact O-N 3.14Å; R1854-D1958 IonicContact NH1-OD1 3.64Å
1855K84.7Confident87.9Confident74 Ų7443.3 Ų43.332%0.32222%0.224SC..THydrogen-bonded Turntrans54.628178-55.5174.9-173175.90114.3L1851 Y1852 L1853 V1857 E1917 C1919 E2366L1851-K1855 PolarHBondContact O-N 3.47Å; Y1852-K1855 WeakPolarHBondContact O-CA 3.44Å; Y1852-K1855 PolarHBondContact O-N 2.97Å; L1853-K1855 VanDerWaalsContact C-N 3.3Å; L1853-K1855 PolarHBondContact O-N 3.49Å; K1855-V1857 PolarHBondContact O-N 3.48Å; K1855-E1917 PolarHBondContact NZ-O 3.43Å; K1855-C1919 VanDerWaalsContact CE-SG 3.54Å; K1855-E2366 IonicContact NZ-OE1 3.3Å
1856S86.7Confident88Confident45 Ų4547.3 Ų47.332%0.31525%0.245SC..  trans-89.998.5-171.1-175.20000113.5L1851 R1854 G1859 K1860L1851-S1856 PolarHBondContact O-N 3.44Å; R1854-S1856 PolarHBondContact O-N 2.93Å; R1854-S1856 VanDerWaalsContact O-N 3.14Å; S1856-G1859 PolarHBondContact O-N 2.93Å; S1856-G1859 PolarHBondContact OG-N 3.31Å; S1856-K1860 WeakPolarHBondContact O-CB 3.15Å; S1856-K1860 PolarHBondContact O-N 2.63Å
1857V84.5Confident88Confident26 Ų2646.6 Ų46.616%0.15824%0.241CC..Hα-helixtrans-65.3-37.3177.2-175.10000112.2F1781 K1855 K1860 L1861 I1911 Y1915F1781-V1857 HydrophobicContact CD1-CG1 4.42Å; F1781-V1857 HydrophobicContact CE1-CG1 4.31Å; K1855-V1857 PolarHBondContact O-N 3.48Å; V1857-K1860 PolarHBondContact O-N 3.38Å; V1857-L1861 PolarHBondContact O-N 3.4Å; V1857-I1911 HydrophobicContact CG1-CG2 4.12Å; V1857-Y1915 HydrophobicContact CG2-CD2 3.82Å; V1857-Y1915 HydrophobicContact CG2-CE2 4.21Å
1858V87Confident88Confident80 Ų8042.8 Ų42.849%0.48522%0.222SC..Hα-helixtrans-65.7-47.3177.6177.20000110.9F1781 K1860 L1861 I1862F1781-V1858 HydrophobicContact CE1-CG2 4.17Å; F1781-V1858 HydrophobicContact CZ-CG2 4.02Å; V1858-K1860 PolarHBondContact O-N 3.38Å; V1858-L1861 PolarHBondContact O-N 2.85Å; V1858-I1862 HydrophobicContact CG1-CD1 4.14Å; V1858-I1862 WeakPolarHBondContact O-CG1 3.47Å; V1858-I1862 PolarHBondContact O-N 3.41Å; V1858-I1862 VanDerWaalsContact O-N 3.1Å
1859G88Confident87.9Confident19 Ų1944.9 Ų44.920%0.19624%0.239CC..Hα-helixtrans-59.9-37.5174.600000111.9S1856 I1862 Y1863S1856-G1859 PolarHBondContact O-N 2.93Å; S1856-G1859 PolarHBondContact OG-N 3.31Å; G1859-I1862 PolarHBondContact O-N 3.06Å; G1859-Y1863 VanDerWaalsContact O-CB 3.28Å; G1859-Y1863 WeakPolarHBondContact O-CB 3.43Å; G1859-Y1863 PolarHBondContact O-N 3.08Å
1860K89.8Confident87.9Confident0 Ų048.1 Ų48.10%026%0.255CS..Hα-helixtrans-67-39176.5-169.565.8-173.3177.30113.6M1795 D1848 L1851 S1856 V1857 V1858 Y1863 Q1864 Y1903 S1907 I1911 Y1915M1795-K1860 VanDerWaalsContact CE-NZ 3.31Å; D1848-K1860 IonicContact OD1-NZ 3.71Å; D1848-K1860 PolarHBondContact OD1-NZ 3.45Å; D1848-K1860 IonicContact OD2-NZ 3.08Å; D1848-K1860 PolarHBondContact OD2-NZ 2.89Å; D1848-K1860 VanDerWaalsContact OD2-NZ 3.13Å; L1851-K1860 HydrophobicContact CD1-CD 4.5Å; S1856-K1860 WeakPolarHBondContact O-CB 3.15Å; S1856-K1860 PolarHBondContact O-N 2.63Å; V1857-K1860 PolarHBondContact O-N 3.38Å; V1858-K1860 PolarHBondContact O-N 3.38Å; K1860-Y1863 HydrophobicContact CD-CD1 4.26Å; K1860-Q1864 WeakPolarHBondContact O-CB 3.45Å; K1860-Q1864 PolarHBondContact O-N 3.49Å; K1860-Y1903 PolarHBondContact NZ-OH 2.91Å; K1860-S1907 WeakPolarHBondContact CE-OG 3.08Å; K1860-I1911 HydrophobicContact CB-CG1 4.46Å; K1860-I1911 HydrophobicContact CG-CD1 4.16Å; K1860-I1911 HydrophobicContact CG-CG1 3.96Å; K1860-Y1915 WeakPolarHBondContact CG-OH 3.35Å
1861L88.9Confident87.9Confident28 Ų2848 Ų4815%0.14725%0.252CS..Hα-helixtrans-65-45.9175-178.265.3000111.7L1607 L1780 F1781 V1857 V1858 Y1863 Q1864 V1865 I1911L1607-L1861 HydrophobicContact CD1-CD1 4.4Å; L1780-L1861 HydrophobicContact CD2-CD1 4.48Å; L1780-L1861 HydrophobicContact CD2-CD2 4.32Å; F1781-L1861 HydrophobicContact CE1-CD2 4.14Å; F1781-L1861 HydrophobicContact CZ-CD2 3.73Å; V1857-L1861 PolarHBondContact O-N 3.4Å; V1858-L1861 PolarHBondContact O-N 2.85Å; L1861-Y1863 PolarHBondContact O-N 2.85Å; L1861-Q1864 PolarHBondContact O-N 3.5Å; L1861-V1865 WeakPolarHBondContact O-CG2 3.32Å; L1861-V1865 PolarHBondContact O-N 3.15Å; L1861-I1911 HydrophobicContact CB-CD1 4.3Å; L1861-I1911 HydrophobicContact CD1-CD1 4.15Å
1862I90.2Very high87.8Confident99 Ų9947.2 Ų47.251%0.50825%0.248SC..Hα-helixtrans-59.5-48.2176.5-65.2168.2000110.1V1858 G1859 Q1864 V1865 L1866V1858-I1862 HydrophobicContact CG1-CD1 4.14Å; V1858-I1862 WeakPolarHBondContact O-CG1 3.47Å; V1858-I1862 PolarHBondContact O-N 3.41Å; V1858-I1862 VanDerWaalsContact O-N 3.1Å; G1859-I1862 PolarHBondContact O-N 3.06Å; I1862-Q1864 VanDerWaalsContact C-N 3.34Å; I1862-Q1864 PolarHBondContact O-N 3.07Å; I1862-V1865 PolarHBondContact O-N 2.95Å; I1862-L1866 HydrophobicContact CG2-CD1 3.92Å; I1862-L1866 HydrophobicContact CG2-CG 4.46Å; I1862-L1866 WeakPolarHBondContact O-CG 3.38Å; I1862-L1866 PolarHBondContact O-N 3.44Å
1863Y90.9Very high87.8Confident20 Ų2051.2 Ų51.28%0.07827%0.269CS..Hα-helixtrans-57.1-43.9175.1172.3-94.9000112.3A1844 I1847 L1851 G1859 K1860 L1861 L1866 M1867 Y1903A1844-Y1863 PolarHBondContact O-OH 3.27Å; I1847-Y1863 HydrophobicContact CG2-CD2 3.94Å; I1847-Y1863 HydrophobicContact CG2-CE2 4.03Å; L1851-Y1863 HydrophobicContact CD1-CD2 4.38Å; L1851-Y1863 HydrophobicContact CD1-CG 4Å; G1859-Y1863 VanDerWaalsContact O-CB 3.28Å; G1859-Y1863 WeakPolarHBondContact O-CB 3.43Å; G1859-Y1863 PolarHBondContact O-N 3.08Å; K1860-Y1863 HydrophobicContact CD-CD1 4.26Å; L1861-Y1863 PolarHBondContact O-N 2.85Å; Y1863-L1866 PolarHBondContact O-N 2.73Å; Y1863-M1867 HydrophobicContact CD1-CG 4.37Å; Y1863-M1867 HydrophobicContact CD2-CG 4.01Å; Y1863-M1867 HydrophobicContact CE1-CG 4.05Å; Y1863-M1867 HydrophobicContact CE2-CG 3.66Å; Y1863-M1867 HydrophobicContact CE2-SD 4.24Å; Y1863-M1867 HydrophobicContact CG-CG 4.36Å; Y1863-M1867 VanDerWaalsContact O-CB 3.31Å; Y1863-M1867 WeakPolarHBondContact O-CB 3.45Å; Y1863-M1867 VanDerWaalsContact O-CG 3.26Å; Y1863-M1867 WeakPolarHBondContact O-CG 3.36Å; Y1863-M1867 PolarHBondContact O-N 3.36Å; Y1863-Y1903 HydrophobicContact CE1-CE1 4.43Å; Y1863-Y1903 WeakPolarHBondContact CE1-OH 3.39Å
1864Q90.1Very high87.9Confident3 Ų351.8 Ų51.81%0.01427%0.268CS..Hα-helixtrans-64.4-43.3178.3176.2154.8-13.300112.6K1860 L1861 I1862 I1868 F1904 S1907 I1911K1860-Q1864 WeakPolarHBondContact O-CB 3.45Å; K1860-Q1864 PolarHBondContact O-N 3.49Å; L1861-Q1864 PolarHBondContact O-N 3.5Å; I1862-Q1864 VanDerWaalsContact C-N 3.34Å; I1862-Q1864 PolarHBondContact O-N 3.07Å; Q1864-I1868 HydrophobicContact CG-CD1 3.63Å; Q1864-I1868 HydrophobicContact CG-CG1 4.35Å; Q1864-I1868 WeakPolarHBondContact O-CB 3.38Å; Q1864-I1868 VanDerWaalsContact O-CG1 3.23Å; Q1864-I1868 WeakPolarHBondContact O-CG1 3.4Å; Q1864-I1868 PolarHBondContact O-N 3.42Å; Q1864-F1904 HydrophobicContact CG-CD1 4.43Å; Q1864-F1904 PolarHBondContact NE2-O 3.03Å; Q1864-F1904 VanDerWaalsContact NE2-O 3.08Å; Q1864-S1907 VanDerWaalsContact OE1-C 3.3Å; Q1864-S1907 PolarHBondContact OE1-OG 2.98Å; Q1864-I1911 HydrophobicContact CB-CD1 4.2Å; Q1864-I1911 VanDerWaalsContact OE1-CD1 3.25Å
1865V88.7Confident87.9Confident67 Ų6745 Ų4541%0.40624%0.243SC..Hα-helixtrans-62.5-47.4177.21730000111F1603 L1861 I1862 I1868 A1869F1603-V1865 HydrophobicContact CE1-CG2 4.18Å; L1861-V1865 WeakPolarHBondContact O-CG2 3.32Å; L1861-V1865 PolarHBondContact O-N 3.15Å; I1862-V1865 PolarHBondContact O-N 2.95Å; V1865-I1868 PolarHBondContact O-N 2.67Å; V1865-A1869 PolarHBondContact O-N 3.45Å; V1865-A1869 VanDerWaalsContact O-N 3.08Å
1866L90.6Very high87.8Confident114 Ų11442.9 Ų42.960%0.59723%0.234SC*.Hα-helixtrans-62.3-44.8178.6-69.6174.1000112.1I1862 Y1863 A1869 F1870I1862-L1866 HydrophobicContact CG2-CD1 3.92Å; I1862-L1866 HydrophobicContact CG2-CG 4.46Å; I1862-L1866 WeakPolarHBondContact O-CG 3.38Å; I1862-L1866 PolarHBondContact O-N 3.44Å; Y1863-L1866 PolarHBondContact O-N 2.73Å; L1866-A1869 PolarHBondContact O-N 2.95Å; L1866-F1870 VanDerWaalsContact O-CB 3.31Å; L1866-F1870 WeakPolarHBondContact O-CB 3.45Å; L1866-F1870 PolarHBondContact O-N 3.19Å
1867M88.7Confident87.7Confident34 Ų3444.1 Ų44.117%0.16724%0.237CC..Hα-helixtrans-70.1-34.2-179.4-71.9-61.1-66.500113.1A1844 Y1863 L1871 F1904A1844-M1867 HydrophobicContact CB-CE 4.28Å; Y1863-M1867 HydrophobicContact CD1-CG 4.37Å; Y1863-M1867 HydrophobicContact CD2-CG 4.01Å; Y1863-M1867 HydrophobicContact CE1-CG 4.05Å; Y1863-M1867 HydrophobicContact CE2-CG 3.66Å; Y1863-M1867 HydrophobicContact CE2-SD 4.24Å; Y1863-M1867 HydrophobicContact CG-CG 4.36Å; Y1863-M1867 VanDerWaalsContact O-CB 3.31Å; Y1863-M1867 WeakPolarHBondContact O-CB 3.45Å; Y1863-M1867 VanDerWaalsContact O-CG 3.26Å; Y1863-M1867 WeakPolarHBondContact O-CG 3.36Å; Y1863-M1867 PolarHBondContact O-N 3.36Å; M1867-L1871 WeakPolarHBondContact O-CB 3.32Å; M1867-L1871 PolarHBondContact O-N 2.96Å; M1867-F1904 HydrophobicContact CB-CE1 3.69Å; M1867-F1904 HydrophobicContact CB-CZ 3.84Å
1868I90Very high87.7Confident1 Ų145 Ų451%0.00524%0.242CC..Hα-helixtrans-64.9-47.7173.1-72.8168.6000110.1L1599 L1602 F1603 Q1864 V1865 L1871 H1872 F1904L1599-I1868 HydrophobicContact CD2-CG2 4.17Å; L1602-I1868 HydrophobicContact CB-CD1 4.27Å; L1602-I1868 HydrophobicContact CD1-CD1 4.4Å; F1603-I1868 HydrophobicContact CD1-CD1 4.44Å; F1603-I1868 HydrophobicContact CE1-CB 4.41Å; F1603-I1868 HydrophobicContact CE1-CD1 3.86Å; F1603-I1868 HydrophobicContact CE1-CG2 4.18Å; F1603-I1868 HydrophobicContact CE2-CG2 4.16Å; F1603-I1868 HydrophobicContact CZ-CB 4.16Å; F1603-I1868 HydrophobicContact CZ-CD1 4.37Å; F1603-I1868 HydrophobicContact CZ-CG2 3.6Å; Q1864-I1868 HydrophobicContact CG-CD1 3.63Å; Q1864-I1868 HydrophobicContact CG-CG1 4.35Å; Q1864-I1868 WeakPolarHBondContact O-CB 3.38Å; Q1864-I1868 VanDerWaalsContact O-CG1 3.23Å; Q1864-I1868 WeakPolarHBondContact O-CG1 3.4Å; Q1864-I1868 PolarHBondContact O-N 3.42Å; V1865-I1868 PolarHBondContact O-N 2.67Å; I1868-L1871 PolarHBondContact O-N 3.22Å; I1868-H1872 PolarHBondContact O-N 3.06Å; I1868-H1872 VanDerWaalsContact O-N 3.1Å; I1868-H1872 PolarHBondContact O-ND1 3.25Å; I1868-F1904 HydrophobicContact CD1-CB 4.34Å; I1868-F1904 HydrophobicContact CD1-CD1 4.35Å; I1868-F1904 HydrophobicContact CD1-CG 4.18Å; I1868-F1904 HydrophobicContact CG1-CB 4.36Å; I1868-F1904 HydrophobicContact CG1-CD1 3.81Å; I1868-F1904 HydrophobicContact CG1-CD2 3.69Å; I1868-F1904 HydrophobicContact CG1-CE1 3.95Å; I1868-F1904 HydrophobicContact CG1-CE2 3.82Å; I1868-F1904 HydrophobicContact CG1-CG 3.7Å; I1868-F1904 HydrophobicContact CG1-CZ 3.95Å
1869A87.9Confident87.5Confident46 Ų4641.4 Ų41.438%0.3822%0.221SC..Hα-helixtrans-61.7-48.9178.500000111.6V1865 L1866 L1871 H1872 I1873V1865-A1869 PolarHBondContact O-N 3.45Å; V1865-A1869 VanDerWaalsContact O-N 3.08Å; L1866-A1869 PolarHBondContact O-N 2.95Å; A1869-L1871 PolarHBondContact O-N 2.87Å; A1869-H1872 PolarHBondContact O-N 3.26Å; A1869-I1873 WeakPolarHBondContact O-CG1 3.47Å; A1869-I1873 PolarHBondContact O-N 2.89Å; A1869-I1873 VanDerWaalsContact O-N 3.1Å
1870F88.2Confident87.2Confident111 Ų11140.8 Ų40.849%0.48721%0.213SC..Hα-helixtrans-56.4-48176.6178.2-101.2000111.8L1866 I1873 W1874L1866-F1870 VanDerWaalsContact O-CB 3.31Å; L1866-F1870 WeakPolarHBondContact O-CB 3.45Å; L1866-F1870 PolarHBondContact O-N 3.19Å; F1870-I1873 PolarHBondContact O-N 3.48Å; F1870-W1874 HydrophobicContact CE1-CB 4.42Å; F1870-W1874 HydrophobicContact CE1-CG 4.44Å; F1870-W1874 HydrophobicContact CE2-CD2 4.43Å; F1870-W1874 AromaticContact CE2-CE3 3.77Å; F1870-W1874 HydrophobicContact CE2-CE3 3.77Å; F1870-W1874 HydrophobicContact CE2-CZ3 4.3Å; F1870-W1874 HydrophobicContact CZ-CB 4.46Å; F1870-W1874 AromaticContact CZ-CD2 3.92Å; F1870-W1874 HydrophobicContact CZ-CD2 3.92Å; F1870-W1874 AromaticContact CZ-CE3 3.65Å; F1870-W1874 HydrophobicContact CZ-CE3 3.65Å; F1870-W1874 HydrophobicContact CZ-CG 4.29Å; F1870-W1874 HydrophobicContact CZ-CZ3 4.21Å; F1870-W1874 WeakPolarHBondContact O-CB 3.47Å; F1870-W1874 PolarHBondContact O-N 3.01Å
1871L86.9Confident86.9Confident13 Ų1344.7 Ų44.77%0.06823%0.234CC..Hα-helixtrans-66.2-40.2-177.4178.9138.8000113.2M1867 I1868 A1869 W1874 V1875 L1896 Y1897 K1900 F1904M1867-L1871 WeakPolarHBondContact O-CB 3.32Å; M1867-L1871 PolarHBondContact O-N 2.96Å; I1868-L1871 PolarHBondContact O-N 3.22Å; A1869-L1871 PolarHBondContact O-N 2.87Å; L1871-W1874 PolarHBondContact O-N 3.01Å; L1871-V1875 HydrophobicContact CG-CG2 4.26Å; L1871-V1875 WeakPolarHBondContact O-CB 3.44Å; L1871-V1875 WeakPolarHBondContact O-CG2 3.43Å; L1871-V1875 PolarHBondContact O-N 3.24Å; L1871-L1896 HydrophobicContact CD1-CD2 4.33Å; L1871-Y1897 HydrophobicContact CD2-CD2 3.35Å; L1871-Y1897 HydrophobicContact CD2-CE2 3.5Å; L1871-Y1897 VanDerWaalsContact CD2-CE2 3.5Å; L1871-Y1897 HydrophobicContact CD2-CG 4.38Å; L1871-Y1897 HydrophobicContact CG-CD2 4.46Å; L1871-K1900 HydrophobicContact CD1-CB 3.67Å; L1871-K1900 HydrophobicContact CD1-CG 3.47Å; L1871-K1900 VanDerWaalsContact CD1-CG 3.47Å; L1871-F1904 HydrophobicContact CB-CE2 4.36Å; L1871-F1904 HydrophobicContact CD1-CE2 4.09Å; L1871-F1904 HydrophobicContact CD1-CZ 4.49Å; L1871-F1904 HydrophobicContact CD2-CE2 4.28Å; L1871-F1904 HydrophobicContact CG-CE2 4.49Å
1872H86.8Confident86.6Confident15 Ų1547.8 Ų47.87%0.06925%0.249CC..Hα-helixtrans-66.9-43.1177.2-73.678.5000111.5I1868 A1869 F1876 Y1897I1868-H1872 PolarHBondContact O-N 3.06Å; I1868-H1872 VanDerWaalsContact O-N 3.1Å; I1868-H1872 PolarHBondContact O-ND1 3.25Å; A1869-H1872 PolarHBondContact O-N 3.26Å; H1872-F1876 HydrophobicContact CB-CD2 4.46Å; H1872-F1876 AromaticContact CD2-CE2 3.92Å; H1872-F1876 WeakPolarHBondContact O-CB 3.4Å; H1872-F1876 WeakPolarHBondContact O-CD2 3.47Å; H1872-F1876 PolarHBondContact O-N 2.98Å; H1872-F1876 VanDerWaalsContact O-N 3.14Å; H1872-Y1897 AromaticContact CD2-CE2 3.97Å; H1872-Y1897 AromaticContact NE2-CE2 3.72Å; H1872-Y1897 AromaticContact NE2-CZ 3.7Å; H1872-Y1897 PolarHBondContact NE2-OH 3.21Å
1873I86.8Confident86Confident94 Ų9443.5 Ų43.548%0.48223%0.227SC..Hα-helixtrans-64.9-44.7176.2-66.1167.3000110.4A1869 F1870 L1877 V1878A1869-I1873 WeakPolarHBondContact O-CG1 3.47Å; A1869-I1873 PolarHBondContact O-N 2.89Å; A1869-I1873 VanDerWaalsContact O-N 3.1Å; F1870-I1873 PolarHBondContact O-N 3.48Å; I1873-L1877 WeakPolarHBondContact O-CA 3.45Å; I1873-L1877 WeakPolarHBondContact O-CB 3.49Å; I1873-L1877 PolarHBondContact O-N 3.48Å; I1873-V1878 HydrophobicContact CG2-CG2 4.16Å; I1873-V1878 PolarHBondContact O-N 3Å
1874W86.4Confident85.4Confident47 Ų4750.4 Ų50.418%0.17825%0.253CS..Iπ-helixtrans-66.5-47.5-177.3-166.6-92.3000112.4V1836 M1837 F1870 L1871 V1878 L1879V1836-W1874 HydrophobicContact CG1-CH2 3.99Å; V1836-W1874 HydrophobicContact CG1-CZ2 4.29Å; M1837-W1874 HydrophobicContact CG-CZ2 4.27Å; M1837-W1874 PolarHBondContact SD-NE1 3.27Å; F1870-W1874 HydrophobicContact CE1-CB 4.42Å; F1870-W1874 HydrophobicContact CE1-CG 4.44Å; F1870-W1874 HydrophobicContact CE2-CD2 4.43Å; F1870-W1874 AromaticContact CE2-CE3 3.77Å; F1870-W1874 HydrophobicContact CE2-CE3 3.77Å; F1870-W1874 HydrophobicContact CE2-CZ3 4.3Å; F1870-W1874 HydrophobicContact CZ-CB 4.46Å; F1870-W1874 AromaticContact CZ-CD2 3.92Å; F1870-W1874 HydrophobicContact CZ-CD2 3.92Å; F1870-W1874 AromaticContact CZ-CE3 3.65Å; F1870-W1874 HydrophobicContact CZ-CE3 3.65Å; F1870-W1874 HydrophobicContact CZ-CG 4.29Å; F1870-W1874 HydrophobicContact CZ-CZ3 4.21Å; F1870-W1874 WeakPolarHBondContact O-CB 3.47Å; F1870-W1874 PolarHBondContact O-N 3.01Å; L1871-W1874 PolarHBondContact O-N 3.01Å; W1874-V1878 HydrophobicContact CD2-CB 4.43Å; W1874-V1878 HydrophobicContact CD2-CG1 4.4Å; W1874-V1878 HydrophobicContact CE3-CB 4.26Å; W1874-V1878 HydrophobicContact CE3-CG1 4.07Å; W1874-V1878 HydrophobicContact CE3-CG2 4.37Å; W1874-V1878 HydrophobicContact CH2-CG1 4.45Å; W1874-V1878 HydrophobicContact CZ3-CG1 4.1Å; W1874-L1879 VanDerWaalsContact O-CB 3.22Å; W1874-L1879 WeakPolarHBondContact O-CB 3.48Å; W1874-L1879 PolarHBondContact O-N 3.18Å
1875V84.5Confident84.7Confident8 Ų855.4 Ų55.45%0.04827%0.272CS..Iπ-helixtrans-77.5-37.1-174.5175.90000113L1871 P1880 Y1897L1871-V1875 HydrophobicContact CG-CG2 4.26Å; L1871-V1875 WeakPolarHBondContact O-CB 3.44Å; L1871-V1875 WeakPolarHBondContact O-CG2 3.43Å; L1871-V1875 PolarHBondContact O-N 3.24Å; V1875-P1880 WeakPolarHBondContact O-CD 3.38Å; V1875-P1880 WeakPolarHBondContact O-CG 3.5Å; V1875-Y1897 HydrophobicContact CG1-CD2 4.34Å
1876F83.1Confident83.9Confident30 Ų3054.1 Ų54.113%0.13227%0.266CS..Iπ-helixtrans-96.9-22.4-175.5-62-64.4000114.7Q1586 L1595 H1872 A1887 Y1897Q1586-F1876 HydrophobicContact CG-CE1 4.37Å; Q1586-F1876 HydrophobicContact CG-CE2 4.12Å; Q1586-F1876 HydrophobicContact CG-CZ 3.65Å; L1595-F1876 HydrophobicContact CD1-CD2 4.16Å; L1595-F1876 HydrophobicContact CD1-CE2 4.34Å; H1872-F1876 HydrophobicContact CB-CD2 4.46Å; H1872-F1876 AromaticContact CD2-CE2 3.92Å; H1872-F1876 WeakPolarHBondContact O-CB 3.4Å; H1872-F1876 WeakPolarHBondContact O-CD2 3.47Å; H1872-F1876 PolarHBondContact O-N 2.98Å; H1872-F1876 VanDerWaalsContact O-N 3.14Å; F1876-A1887 HydrophobicContact CD1-CB 4.09Å; F1876-A1887 HydrophobicContact CE1-CB 4.46Å; F1876-Y1897 AromaticContact CE2-CD2 3.95Å; F1876-Y1897 HydrophobicContact CE2-CD2 3.95Å; F1876-Y1897 AromaticContact CE2-CE2 3.39Å; F1876-Y1897 HydrophobicContact CE2-CE2 3.39Å; F1876-Y1897 AromaticContact CE2-CZ 3.84Å; F1876-Y1897 AromaticContact CZ-CD2 3.98Å; F1876-Y1897 HydrophobicContact CZ-CD2 3.98Å; F1876-Y1897 HydrophobicContact CZ-CE1 4.35Å; F1876-Y1897 AromaticContact CZ-CE2 3.7Å; F1876-Y1897 HydrophobicContact CZ-CE2 3.7Å; F1876-Y1897 HydrophobicContact CZ-CG 4.48Å; F1876-Y1897 AromaticContact CZ-CZ 3.89Å
1877L83.6Confident83.1Confident71 Ų7149.5 Ų49.537%0.37224%0.244SC..Iπ-helixtrans-115.6-53.9-178.3-55.2174.4000112.7L1660 I1873 N1881L1660-L1877 HydrophobicContact CD1-CD2 4.25Å; I1873-L1877 WeakPolarHBondContact O-CA 3.45Å; I1873-L1877 WeakPolarHBondContact O-CB 3.49Å; I1873-L1877 PolarHBondContact O-N 3.48Å; L1877-N1881 WeakPolarHBondContact O-CB 3.12Å; L1877-N1881 PolarHBondContact O-N 3.24Å
1878V85.4Confident82.5Confident44 Ų4449.8 Ų49.827%0.26725%0.246SC..Iπ-helixtrans-72.4-52.7-173.6-177.40000111.7I1873 W1874 N1881 M1882I1873-V1878 HydrophobicContact CG2-CG2 4.16Å; I1873-V1878 PolarHBondContact O-N 3Å; W1874-V1878 HydrophobicContact CD2-CB 4.43Å; W1874-V1878 HydrophobicContact CD2-CG1 4.4Å; W1874-V1878 HydrophobicContact CE3-CB 4.26Å; W1874-V1878 HydrophobicContact CE3-CG1 4.07Å; W1874-V1878 HydrophobicContact CE3-CG2 4.37Å; W1874-V1878 HydrophobicContact CH2-CG1 4.45Å; W1874-V1878 HydrophobicContact CZ3-CG1 4.1Å; V1878-N1881 PolarHBondContact O-N 2.78Å; V1878-M1882 HydrophobicContact CG1-CG 4.22Å; V1878-M1882 HydrophobicContact CG1-SD 3.78Å; V1878-M1882 WeakPolarHBondContact O-CG 3.49Å; V1878-M1882 PolarHBondContact O-N 3.2Å
1879L82.9Confident81.9Confident6 Ų652.8 Ų52.83%0.03127%0.267CS..Hα-helixtrans-63.5-41.9-175.3-172.771.8000113F1813 W1874 M1882 T1883 A1893F1813-L1879 HydrophobicContact CD1-CD1 4.06Å; F1813-L1879 HydrophobicContact CD1-CD2 4.25Å; F1813-L1879 HydrophobicContact CE1-CD2 4.3Å; W1874-L1879 VanDerWaalsContact O-CB 3.22Å; W1874-L1879 WeakPolarHBondContact O-CB 3.48Å; W1874-L1879 PolarHBondContact O-N 3.18Å; L1879-M1882 PolarHBondContact O-N 2.85Å; L1879-T1883 HydrophobicContact CD1-CG2 3.74Å; L1879-T1883 HydrophobicContact CG-CG2 4.19Å; L1879-T1883 WeakPolarHBondContact O-CB 3.47Å; L1879-T1883 WeakPolarHBondContact O-CG2 3.49Å; L1879-T1883 PolarHBondContact O-N 2.93Å; L1879-T1883 PolarHBondContact O-OG1 3.07Å; L1879-A1893 HydrophobicContact CD2-CB 3.72Å
1880P81.8Confident81.6Confident6 Ų651 Ų514%0.03925%0.251CS..Hα-helixtrans-67.6-35.2177.1-2438.2000113P1654 V1875 R1884 R1885 A1887P1654-P1880 HydrophobicContact CB-CB 4.1Å; V1875-P1880 WeakPolarHBondContact O-CD 3.38Å; V1875-P1880 WeakPolarHBondContact O-CG 3.5Å; P1880-R1884 VanDerWaalsContact O-CA 3.27Å; P1880-R1884 WeakPolarHBondContact O-CA 3.46Å; P1880-R1884 PolarHBondContact O-N 3.31Å; P1880-R1885 VanDerWaalsContact CA-O 3.27Å; P1880-R1885 WeakPolarHBondContact CA-O 3.43Å; P1880-R1885 WeakPolarHBondContact CB-O 3.27Å; P1880-A1887 HydrophobicContact CG-CB 4.14Å
1881N83.3Confident81.4Confident82 Ų8252.3 Ų52.344%0.43926%0.258SS..Hα-helixtrans-66.6-46.3174.9-172.330000111.5L1877 V1878L1877-N1881 WeakPolarHBondContact O-CB 3.12Å; L1877-N1881 PolarHBondContact O-N 3.24Å; V1878-N1881 PolarHBondContact O-N 2.78Å
1882M81.8Confident81.4Confident93 Ų9353.2 Ų53.246%0.45826%0.264SS..Hα-helixtrans-70.1-38.6179.4-69.9-172.377.400113.8T1833 V1878 L1879T1833-M1882 HydrophobicContact CG2-CE 3.73Å; T1833-M1882 HydrophobicContact CG2-SD 4.05Å; V1878-M1882 HydrophobicContact CG1-CG 4.22Å; V1878-M1882 HydrophobicContact CG1-SD 3.78Å; V1878-M1882 WeakPolarHBondContact O-CG 3.49Å; V1878-M1882 PolarHBondContact O-N 3.2Å; L1879-M1882 PolarHBondContact O-N 2.85Å
1883T78Confident81.2Confident8 Ų852.7 Ų52.75%0.04926%0.262CS..Hα-helixtrans-91.3-7.5-177.160.80000113.8F1813 L1879 R1885F1813-T1883 WeakPolarHBondContact O-CG2 3.38Å; L1879-T1883 HydrophobicContact CD1-CG2 3.74Å; L1879-T1883 HydrophobicContact CG-CG2 4.19Å; L1879-T1883 WeakPolarHBondContact O-CB 3.47Å; L1879-T1883 WeakPolarHBondContact O-CG2 3.49Å; L1879-T1883 PolarHBondContact O-N 2.93Å; L1879-T1883 PolarHBondContact O-OG1 3.07Å; T1883-R1885 PolarHBondContact O-N 2.94Å; T1883-R1885 PolarHBondContact OG1-N 3.24Å
1884R77.7Confident81.2Confident165 Ų16549.3 Ų49.362%0.62324%0.244SC*.SBendtrans52.717.9-168.6-59.4-63.2-173.6164.3-0.5114.5P1880P1880-R1884 VanDerWaalsContact O-CA 3.27Å; P1880-R1884 WeakPolarHBondContact O-CA 3.46Å; P1880-R1884 PolarHBondContact O-N 3.31Å
1885R74.9Confident81.2Confident108 Ų10848.8 Ų48.841%0.40825%0.25SS..SBendtrans-113.3129.2177.8-68179.6-175.5-168.21.5109.7P1880 T1883P1880-R1885 VanDerWaalsContact CA-O 3.27Å; P1880-R1885 WeakPolarHBondContact CA-O 3.43Å; P1880-R1885 WeakPolarHBondContact CB-O 3.27Å; T1883-R1885 PolarHBondContact O-N 2.94Å; T1883-R1885 PolarHBondContact OG1-N 3.24Å
1886S73.1Confident81.4Confident41 Ų4149.2 Ų49.229%0.28725%0.252SS..  trans-57.3144.7174.4740000111.2I1888 S1889 N1890S1886-I1888 PolarHBondContact O-N 3.39Å; S1886-S1889 PolarHBondContact N-OG 3.12Å; S1886-S1889 PolarHBondContact O-N 2.98Å; S1886-S1889 PolarHBondContact O-OG 3.43Å; S1886-S1889 PolarHBondContact OG-N 3.43Å; S1886-S1889 PolarHBondContact OG-OG 2.9Å; S1886-S1889 VanDerWaalsContact OG-OG 3.1Å; S1886-N1890 PolarHBondContact O-N 2.94Å
1887A73.7Confident81.7Confident16 Ų1647.9 Ų47.913%0.13225%0.246CC..G310 helixtrans-56.5-26.6176.300000112.6F1876 P1880 S1889 N1890 Q1894F1876-A1887 HydrophobicContact CD1-CB 4.09Å; F1876-A1887 HydrophobicContact CE1-CB 4.46Å; P1880-A1887 HydrophobicContact CG-CB 4.14Å; A1887-S1889 VanDerWaalsContact C-N 3.32Å; A1887-S1889 PolarHBondContact O-N 3.03Å; A1887-N1890 PolarHBondContact O-N 3.27Å; A1887-Q1894 PolarHBondContact O-NE2 3.23Å
1888I76.4Confident81.9Confident41 Ų4145.7 Ų45.721%0.2124%0.236CC..G310 helixtrans-73.8-22178.6-52.4168.6000112T1589 S1886 Q1894T1589-I1888 WeakPolarHBondContact O-CD1 3.36Å; S1886-I1888 PolarHBondContact O-N 3.39Å; I1888-Q1894 VanDerWaalsContact CA-NE2 3.31Å; I1888-Q1894 PolarHBondContact O-NE2 3.28Å
1889S77.7Confident82.2Confident63 Ų6345.7 Ų45.744%0.44123%0.234SC..G310 helixtrans-91.2-10.8172.9570000114.5S1886 A1887S1886-S1889 PolarHBondContact N-OG 3.12Å; S1886-S1889 PolarHBondContact O-N 2.98Å; S1886-S1889 PolarHBondContact O-OG 3.43Å; S1886-S1889 PolarHBondContact OG-N 3.43Å; S1886-S1889 PolarHBondContact OG-OG 2.9Å; S1886-S1889 VanDerWaalsContact OG-OG 3.1Å; A1887-S1889 VanDerWaalsContact C-N 3.32Å; A1887-S1889 PolarHBondContact O-N 3.03Å
1890N81.2Confident82.6Confident9 Ų945.6 Ų45.65%0.04823%0.233CC..  trans-102.786.4-175.2-167.6-25.6000112A1812 S1886 A1887 V1892 A1893 Q1894A1812-N1890 PolarHBondContact O-ND2 3.17Å; S1886-N1890 PolarHBondContact O-N 2.94Å; A1887-N1890 PolarHBondContact O-N 3.27Å; N1890-V1892 PolarHBondContact O-N 3.41Å; N1890-V1892 PolarHBondContact OD1-N 2.89Å; N1890-A1893 HydrophobicContact CB-CB 3.95Å; N1890-A1893 PolarHBondContact O-N 3.34Å; N1890-A1893 VanDerWaalsContact O-N 3.14Å; N1890-A1893 PolarHBondContact OD1-N 3.38Å; N1890-A1893 VanDerWaalsContact OD1-N 3.11Å; N1890-Q1894 WeakPolarHBondContact O-CG 3.32Å; N1890-Q1894 PolarHBondContact O-N 3.23Å
1891H84.2Confident83Confident138 Ų13845.3 Ų45.364%0.63923%0.231SC*.Hα-helixtrans-59.6-28.8-178.7-62.5-48.8000114.7Q1894 A1895H1891-Q1894 PolarHBondContact ND1-OE1 3.22Å; H1891-Q1894 PolarHBondContact O-N 2.68Å; H1891-A1895 WeakPolarHBondContact O-CB 3.47Å; H1891-A1895 PolarHBondContact O-N 3.17Å
1892V85.6Confident83.2Confident33 Ų3343.6 Ų43.620%0.223%0.225CC..Hα-helixtrans-70.8-44.5176.2-179.10000110.2I1805 A1812 F1813 N1890 Q1894 A1895 L1896I1805-V1892 HydrophobicContact CG2-CG1 4.03Å; A1812-V1892 HydrophobicContact CB-CB 3.76Å; A1812-V1892 HydrophobicContact CB-CG1 4.47Å; A1812-V1892 HydrophobicContact CB-CG2 3.53Å; F1813-V1892 HydrophobicContact CE2-CG1 3.6Å; F1813-V1892 HydrophobicContact CZ-CB 4.49Å; F1813-V1892 HydrophobicContact CZ-CG1 3.6Å; N1890-V1892 PolarHBondContact O-N 3.41Å; N1890-V1892 PolarHBondContact OD1-N 2.89Å; V1892-Q1894 VanDerWaalsContact C-N 3.3Å; V1892-Q1894 PolarHBondContact O-N 2.87Å; V1892-A1895 PolarHBondContact O-N 3.03Å; V1892-L1896 WeakPolarHBondContact O-CB 3.33Å; V1892-L1896 PolarHBondContact O-N 3.4Å
1893A83.1Confident83.7Confident3 Ų339.1 Ų39.13%0.02520%0.204CC..Hα-helixtrans-63.4-36.3174.300000112.1L1879 N1890 Y1897L1879-A1893 HydrophobicContact CD2-CB 3.72Å; N1890-A1893 HydrophobicContact CB-CB 3.95Å; N1890-A1893 PolarHBondContact O-N 3.34Å; N1890-A1893 VanDerWaalsContact O-N 3.14Å; N1890-A1893 PolarHBondContact OD1-N 3.38Å; N1890-A1893 VanDerWaalsContact OD1-N 3.11Å; A1893-Y1897 WeakPolarHBondContact O-CB 3.27Å; A1893-Y1897 PolarHBondContact O-N 3.25Å
1894Q86.3Confident84.3Confident23 Ų2338.8 Ų38.811%0.10720%0.201CC..Hα-helixtrans-62.3-51.1172.8-67.5166.15.900111.7V1587 A1887 I1888 N1890 H1891 V1892 L1896 Y1897 V1898V1587-Q1894 HydrophobicContact CG1-CB 3.81Å; V1587-Q1894 HydrophobicContact CG1-CG 3.85Å; A1887-Q1894 PolarHBondContact O-NE2 3.23Å; I1888-Q1894 VanDerWaalsContact CA-NE2 3.31Å; I1888-Q1894 PolarHBondContact O-NE2 3.28Å; N1890-Q1894 WeakPolarHBondContact O-CG 3.32Å; N1890-Q1894 PolarHBondContact O-N 3.23Å; H1891-Q1894 PolarHBondContact ND1-OE1 3.22Å; H1891-Q1894 PolarHBondContact O-N 2.68Å; V1892-Q1894 VanDerWaalsContact C-N 3.3Å; V1892-Q1894 PolarHBondContact O-N 2.87Å; Q1894-L1896 VanDerWaalsContact C-N 3.3Å; Q1894-L1896 PolarHBondContact O-N 3.34Å; Q1894-Y1897 PolarHBondContact O-N 3.12Å; Q1894-V1898 WeakPolarHBondContact O-CG2 3.45Å; Q1894-V1898 PolarHBondContact O-N 3.48Å
1895A86.7Confident84.8Confident37 Ų3732.2 Ų32.231%0.30618%0.178SC..Hα-helixtrans-59.4-42178.600000111.8I1805 H1891 V1892 V1898 I1899I1805-A1895 HydrophobicContact CG2-CB 4.48Å; H1891-A1895 WeakPolarHBondContact O-CB 3.47Å; H1891-A1895 PolarHBondContact O-N 3.17Å; V1892-A1895 PolarHBondContact O-N 3.03Å; A1895-V1898 PolarHBondContact O-N 3.37Å; A1895-I1899 WeakPolarHBondContact O-CB 3.33Å; A1895-I1899 WeakPolarHBondContact O-CG1 3.48Å; A1895-I1899 PolarHBondContact O-N 3.38Å
1896L88.6Confident85.5Confident17 Ų1728.2 Ų28.29%0.08917%0.166CC..Hα-helixtrans-61.8-47.5174.4-173.3155.8000111.6M1806 F1813 M1837 L1871 V1892 Q1894 V1898 I1899 K1900M1806-L1896 HydrophobicContact CG-CD1 3.5Å; M1806-L1896 VanDerWaalsContact CG-CD1 3.5Å; M1806-L1896 HydrophobicContact SD-CD1 3.98Å; F1813-L1896 HydrophobicContact CZ-CD1 4.21Å; M1837-L1896 HydrophobicContact CE-CD1 3.59Å; L1871-L1896 HydrophobicContact CD1-CD2 4.33Å; V1892-L1896 WeakPolarHBondContact O-CB 3.33Å; V1892-L1896 PolarHBondContact O-N 3.4Å; Q1894-L1896 VanDerWaalsContact C-N 3.3Å; Q1894-L1896 PolarHBondContact O-N 3.34Å; L1896-V1898 PolarHBondContact O-N 3.41Å; L1896-I1899 PolarHBondContact O-N 2.94Å; L1896-K1900 VanDerWaalsContact O-CB 3.24Å; L1896-K1900 WeakPolarHBondContact O-CB 3.44Å; L1896-K1900 PolarHBondContact O-N 2.91Å
1897Y89.3Confident86.3Confident1 Ų126.2 Ų26.20%0.00415%0.152CC..Hα-helixtrans-60.2-44.1177.3179.7-86.9000112I1583 V1587 L1871 H1872 V1875 F1876 A1893 Q1894 S1901I1583-Y1897 HydrophobicContact CG2-CD1 4.45Å; I1583-Y1897 HydrophobicContact CG2-CE1 4.02Å; V1587-Y1897 HydrophobicContact CG2-CD1 3.35Å; V1587-Y1897 HydrophobicContact CG2-CE1 3.74Å; V1587-Y1897 HydrophobicContact CG2-CG 4.4Å; L1871-Y1897 HydrophobicContact CD2-CD2 3.35Å; L1871-Y1897 HydrophobicContact CD2-CE2 3.5Å; L1871-Y1897 VanDerWaalsContact CD2-CE2 3.5Å; L1871-Y1897 HydrophobicContact CD2-CG 4.38Å; L1871-Y1897 HydrophobicContact CG-CD2 4.46Å; H1872-Y1897 AromaticContact CD2-CE2 3.97Å; H1872-Y1897 AromaticContact NE2-CE2 3.72Å; H1872-Y1897 AromaticContact NE2-CZ 3.7Å; H1872-Y1897 PolarHBondContact NE2-OH 3.21Å; V1875-Y1897 HydrophobicContact CG1-CD2 4.34Å; F1876-Y1897 AromaticContact CE2-CD2 3.95Å; F1876-Y1897 HydrophobicContact CE2-CD2 3.95Å; F1876-Y1897 AromaticContact CE2-CE2 3.39Å; F1876-Y1897 HydrophobicContact CE2-CE2 3.39Å; F1876-Y1897 AromaticContact CE2-CZ 3.84Å; F1876-Y1897 AromaticContact CZ-CD2 3.98Å; F1876-Y1897 HydrophobicContact CZ-CD2 3.98Å; F1876-Y1897 HydrophobicContact CZ-CE1 4.35Å; F1876-Y1897 AromaticContact CZ-CE2 3.7Å; F1876-Y1897 HydrophobicContact CZ-CE2 3.7Å; F1876-Y1897 HydrophobicContact CZ-CG 4.48Å; F1876-Y1897 AromaticContact CZ-CZ 3.89Å; A1893-Y1897 WeakPolarHBondContact O-CB 3.27Å; A1893-Y1897 PolarHBondContact O-N 3.25Å; Q1894-Y1897 PolarHBondContact O-N 3.12Å; Y1897-S1901 WeakPolarHBondContact O-CB 3.44Å; Y1897-S1901 PolarHBondContact O-N 3.23Å; Y1897-S1901 PolarHBondContact O-OG 2.83Å
1898V89.3Confident86.9Confident26 Ų2625.5 Ų25.516%0.15815%0.146CC..Hα-helixtrans-62.1-51.4178171.50000111.2M1584 V1587 Q1894 A1895 L1896 S1901 C1902M1584-V1898 HydrophobicContact CE-CB 4.22Å; M1584-V1898 HydrophobicContact CE-CG1 3.73Å; M1584-V1898 HydrophobicContact CE-CG2 3.42Å; M1584-V1898 VanDerWaalsContact CE-CG2 3.42Å; V1587-V1898 HydrophobicContact CG1-CG2 4.32Å; V1587-V1898 HydrophobicContact CG2-CG2 3.72Å; Q1894-V1898 WeakPolarHBondContact O-CG2 3.45Å; Q1894-V1898 PolarHBondContact O-N 3.48Å; A1895-V1898 PolarHBondContact O-N 3.37Å; L1896-V1898 PolarHBondContact O-N 3.41Å; V1898-S1901 WeakPolarHBondContact O-CB 3.35Å; V1898-S1901 PolarHBondContact O-N 2.65Å; V1898-C1902 PolarHBondContact O-N 2.98Å; V1898-C1902 PolarHBondContact O-SG 3.02Å
1899I91.2Very high87.4Confident44 Ų4426.8 Ų26.823%0.22615%0.148CC..Hα-helixtrans-72.1-36.4-173.6-68.7171.3000110.8I1798 I1801 I1805 A1895 L1896 S1901 C1902 Y1903I1798-I1899 HydrophobicContact CG2-CG2 3.58Å; I1798-I1899 VanDerWaalsContact CG2-O 3.32Å; I1798-I1899 WeakPolarHBondContact CG2-O 3.18Å; I1801-I1899 HydrophobicContact CG2-CD1 4.04Å; I1801-I1899 HydrophobicContact CG2-CG2 4.15Å; I1805-I1899 HydrophobicContact CD1-CD1 3.34Å; A1895-I1899 WeakPolarHBondContact O-CB 3.33Å; A1895-I1899 WeakPolarHBondContact O-CG1 3.48Å; A1895-I1899 PolarHBondContact O-N 3.38Å; L1896-I1899 PolarHBondContact O-N 2.94Å; I1899-S1901 VanDerWaalsContact C-N 3.33Å; I1899-C1902 WeakPolarHBondContact O-CB 3.49Å; I1899-C1902 PolarHBondContact O-N 3.12Å; I1899-Y1903 PolarHBondContact O-N 3.26Å
1900K90.7Very high87.9Confident3 Ų323.9 Ų23.91%0.01313%0.128CC..Hα-helixtrans-71.3-27171.9-159.864.8171.2172.50112.3D1799 L1871 L1896 Y1903 F1904D1799-K1900 IonicContact OD1-NZ 3.59Å; D1799-K1900 PolarHBondContact OD1-NZ 2.92Å; D1799-K1900 IonicContact OD2-NZ 2.66Å; D1799-K1900 PolarHBondContact OD2-NZ 3.43Å; L1871-K1900 HydrophobicContact CD1-CB 3.67Å; L1871-K1900 HydrophobicContact CD1-CG 3.47Å; L1871-K1900 VanDerWaalsContact CD1-CG 3.47Å; L1896-K1900 VanDerWaalsContact O-CB 3.24Å; L1896-K1900 WeakPolarHBondContact O-CB 3.44Å; L1896-K1900 PolarHBondContact O-N 2.91Å; K1900-Y1903 HydrophobicContact CD-CD1 4.02Å; K1900-Y1903 HydrophobicContact CD-CG 4.11Å; K1900-Y1903 WeakPolarHBondContact O-CB 3.31Å; K1900-Y1903 PolarHBondContact O-N 3.07Å; K1900-F1904 HydrophobicContact CG-CE2 4Å; K1900-F1904 HydrophobicContact CG-CZ 4.03Å; K1900-F1904 WeakPolarHBondContact O-CD2 3.4Å; K1900-F1904 WeakPolarHBondContact O-CG 3.27Å; K1900-F1904 PolarHBondContact O-N 3.01Å
1901S89.8Confident88.1Confident0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-68.1-37.7167.8-61.20000112Y1897 V1898 I1899 Y1903 F1904 L1905Y1897-S1901 WeakPolarHBondContact O-CB 3.44Å; Y1897-S1901 PolarHBondContact O-N 3.23Å; Y1897-S1901 PolarHBondContact O-OG 2.83Å; V1898-S1901 WeakPolarHBondContact O-CB 3.35Å; V1898-S1901 PolarHBondContact O-N 2.65Å; I1899-S1901 VanDerWaalsContact C-N 3.33Å; S1901-Y1903 VanDerWaalsContact C-N 3.35Å; S1901-F1904 PolarHBondContact O-N 2.98Å; S1901-L1905 WeakPolarHBondContact O-CG 3.29Å; S1901-L1905 PolarHBondContact O-N 3.21Å
1902C88.9Confident88Confident46 Ų4619.7 Ų19.731%0.31111%0.106SC..Hα-helixtrans-62.3-40.8169.2-67.10000111.8V1898 I1899 F1904 L1905 V1906V1898-C1902 PolarHBondContact O-N 2.98Å; V1898-C1902 PolarHBondContact O-SG 3.02Å; I1899-C1902 WeakPolarHBondContact O-CB 3.49Å; I1899-C1902 PolarHBondContact O-N 3.12Å; C1902-F1904 VanDerWaalsContact C-N 3.34Å; C1902-F1904 PolarHBondContact O-N 3.07Å; C1902-L1905 PolarHBondContact O-N 2.96Å; C1902-V1906 WeakPolarHBondContact O-CG2 3.39Å; C1902-V1906 PolarHBondContact O-N 3.26Å
1903Y91.7Very high87.7Confident0 Ų018.3 Ų18.30%010%0.097CC..Hα-helixtrans-57.1-44.9170169.6-84.7000111.5M1795 D1799 D1848 K1860 Y1863 I1899 K1900 S1901 L1905 V1906 S1907M1795-Y1903 HydrophobicContact CB-CD2 4.13Å; M1795-Y1903 HydrophobicContact CB-CE2 3.89Å; M1795-Y1903 HydrophobicContact CE-CE2 3.82Å; D1799-Y1903 WeakPolarHBondContact OD2-CE2 3.48Å; D1848-Y1903 PolarHBondContact OD2-OH 2.8Å; K1860-Y1903 PolarHBondContact NZ-OH 2.91Å; Y1863-Y1903 HydrophobicContact CE1-CE1 4.43Å; Y1863-Y1903 WeakPolarHBondContact CE1-OH 3.39Å; I1899-Y1903 PolarHBondContact O-N 3.26Å; K1900-Y1903 HydrophobicContact CD-CD1 4.02Å; K1900-Y1903 HydrophobicContact CD-CG 4.11Å; K1900-Y1903 WeakPolarHBondContact O-CB 3.31Å; K1900-Y1903 PolarHBondContact O-N 3.07Å; S1901-Y1903 VanDerWaalsContact C-N 3.35Å; Y1903-L1905 VanDerWaalsContact C-N 3.35Å; Y1903-L1905 PolarHBondContact O-N 3.2Å; Y1903-V1906 PolarHBondContact O-N 3.17Å; Y1903-S1907 WeakPolarHBondContact O-CB 3Å; Y1903-S1907 PolarHBondContact O-N 3Å
1904F91Very high87.4Confident0 Ų018.1 Ų18.10%010%0.096CC..Hα-helixtrans-67-31.9177.3-63.8-46.1000113.4L1602 Q1864 M1867 I1868 L1871 K1900 S1901 C1902 A1908L1602-F1904 HydrophobicContact CD2-CB 3.85Å; Q1864-F1904 HydrophobicContact CG-CD1 4.43Å; Q1864-F1904 PolarHBondContact NE2-O 3.03Å; Q1864-F1904 VanDerWaalsContact NE2-O 3.08Å; M1867-F1904 HydrophobicContact CB-CE1 3.69Å; M1867-F1904 HydrophobicContact CB-CZ 3.84Å; I1868-F1904 HydrophobicContact CD1-CB 4.34Å; I1868-F1904 HydrophobicContact CD1-CD1 4.35Å; I1868-F1904 HydrophobicContact CD1-CG 4.18Å; I1868-F1904 HydrophobicContact CG1-CB 4.36Å; I1868-F1904 HydrophobicContact CG1-CD1 3.81Å; I1868-F1904 HydrophobicContact CG1-CD2 3.69Å; I1868-F1904 HydrophobicContact CG1-CE1 3.95Å; I1868-F1904 HydrophobicContact CG1-CE2 3.82Å; I1868-F1904 HydrophobicContact CG1-CG 3.7Å; I1868-F1904 HydrophobicContact CG1-CZ 3.95Å; L1871-F1904 HydrophobicContact CB-CE2 4.36Å; L1871-F1904 HydrophobicContact CD1-CE2 4.09Å; L1871-F1904 HydrophobicContact CD1-CZ 4.49Å; L1871-F1904 HydrophobicContact CD2-CE2 4.28Å; L1871-F1904 HydrophobicContact CG-CE2 4.49Å; K1900-F1904 HydrophobicContact CG-CE2 4Å; K1900-F1904 HydrophobicContact CG-CZ 4.03Å; K1900-F1904 WeakPolarHBondContact O-CD2 3.4Å; K1900-F1904 WeakPolarHBondContact O-CG 3.27Å; K1900-F1904 PolarHBondContact O-N 3.01Å; S1901-F1904 PolarHBondContact O-N 2.98Å; C1902-F1904 VanDerWaalsContact C-N 3.34Å; C1902-F1904 PolarHBondContact O-N 3.07Å; F1904-A1908 VanDerWaalsContact O-CB 3.28Å; F1904-A1908 WeakPolarHBondContact O-CB 3.07Å; F1904-A1908 PolarHBondContact O-N 3.13Å
1905L88.5Confident87.1Confident27 Ų2718.4 Ų18.414%0.14110%0.096CC..Hα-helixtrans-67.5-44.5171.5-72.4172.7000111.9Y1579 I1583 L1602 N1606 S1901 C1902 Y1903 A1908 W1909Y1579-L1905 HydrophobicContact CD2-CD2 4.47Å; I1583-L1905 HydrophobicContact CD1-CD1 3.8Å; I1583-L1905 HydrophobicContact CD1-CG 4.44Å; L1602-L1905 HydrophobicContact CD2-CD2 3.89Å; L1602-L1905 HydrophobicContact CD2-CG 4.01Å; N1606-L1905 HydrophobicContact CB-CD2 4.18Å; N1606-L1905 PolarHBondContact ND2-O 2.85Å; S1901-L1905 WeakPolarHBondContact O-CG 3.29Å; S1901-L1905 PolarHBondContact O-N 3.21Å; C1902-L1905 PolarHBondContact O-N 2.96Å; Y1903-L1905 VanDerWaalsContact C-N 3.35Å; Y1903-L1905 PolarHBondContact O-N 3.2Å; L1905-A1908 PolarHBondContact O-N 3.03Å; L1905-W1909 WeakPolarHBondContact O-CB 3.36Å; L1905-W1909 PolarHBondContact O-N 3.08Å
1906V88.3Confident86.4Confident24 Ų2416.9 Ų16.915%0.1458%0.083CC..Hα-helixtrans-67.5-38.3175.8179.20000111L1791 I1794 M1795 I1798 C1902 Y1903 W1909 Q1910L1791-V1906 HydrophobicContact CB-CG1 3.78Å; L1791-V1906 HydrophobicContact CD1-CG1 4.21Å; L1791-V1906 HydrophobicContact CG-CG1 4.46Å; I1794-V1906 HydrophobicContact CB-CG1 4.44Å; I1794-V1906 HydrophobicContact CG2-CG1 4.25Å; I1794-V1906 HydrophobicContact CG2-CG2 4.42Å; M1795-V1906 HydrophobicContact CG-CB 4.25Å; M1795-V1906 HydrophobicContact CG-CG1 3.57Å; M1795-V1906 HydrophobicContact SD-CG1 4.38Å; I1798-V1906 HydrophobicContact CD1-CG2 4.02Å; C1902-V1906 WeakPolarHBondContact O-CG2 3.39Å; C1902-V1906 PolarHBondContact O-N 3.26Å; Y1903-V1906 PolarHBondContact O-N 3.17Å; V1906-W1909 WeakPolarHBondContact O-CB 3.37Å; V1906-W1909 PolarHBondContact O-N 2.93Å; V1906-Q1910 PolarHBondContact O-N 3.43Å
1907S89.5Confident85.4Confident0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-64.3-43.8174.7-176.20000112.2K1860 Q1864 Y1903 W1909 Q1910 I1911K1860-S1907 WeakPolarHBondContact CE-OG 3.08Å; Q1864-S1907 VanDerWaalsContact OE1-C 3.3Å; Q1864-S1907 PolarHBondContact OE1-OG 2.98Å; Y1903-S1907 WeakPolarHBondContact O-CB 3Å; Y1903-S1907 PolarHBondContact O-N 3Å; S1907-W1909 VanDerWaalsContact C-N 3.3Å; S1907-W1909 PolarHBondContact O-N 2.96Å; S1907-Q1910 WeakPolarHBondContact O-CB 3.28Å; S1907-Q1910 PolarHBondContact O-N 2.97Å; S1907-I1911 WeakPolarHBondContact O-CG1 3.38Å; S1907-I1911 PolarHBondContact O-N 3.41Å
1908A87.6Confident84.2Confident0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-62.4-38.5173.500000111.6N1606 L1607 F1904 L1905 I1911 R1912N1606-A1908 HydrophobicContact CB-CB 4.18Å; L1607-A1908 HydrophobicContact CD2-CB 3.86Å; L1607-A1908 HydrophobicContact CG-CB 4.22Å; F1904-A1908 VanDerWaalsContact O-CB 3.28Å; F1904-A1908 WeakPolarHBondContact O-CB 3.07Å; F1904-A1908 PolarHBondContact O-N 3.13Å; L1905-A1908 PolarHBondContact O-N 3.03Å; A1908-I1911 PolarHBondContact O-N 3.47Å; A1908-R1912 WeakPolarHBondContact O-CB 3.28Å; A1908-R1912 PolarHBondContact O-N 2.89Å
1909W86.4Confident83Confident69 Ų6924.3 Ų24.326%0.26112%0.119SC..Hα-helixtrans-65.1-39.9174-172.718.9000111.6L1791 L1905 V1906 S1907 R1912 N1913L1791-W1909 HydrophobicContact CD1-CB 3.92Å; L1791-W1909 HydrophobicContact CD1-CD2 3.49Å; L1791-W1909 VanDerWaalsContact CD1-CD2 3.49Å; L1791-W1909 HydrophobicContact CD1-CE3 3.47Å; L1791-W1909 VanDerWaalsContact CD1-CE3 3.47Å; L1791-W1909 HydrophobicContact CD1-CG 3.7Å; L1791-W1909 HydrophobicContact CD1-CZ3 4.16Å; L1791-W1909 HydrophobicContact CD2-CD2 4.47Å; L1791-W1909 HydrophobicContact CD2-CE3 3.89Å; L1791-W1909 HydrophobicContact CD2-CH2 4.13Å; L1791-W1909 HydrophobicContact CD2-CZ3 3.69Å; L1791-W1909 HydrophobicContact CG-CE3 4.35Å; L1905-W1909 WeakPolarHBondContact O-CB 3.36Å; L1905-W1909 PolarHBondContact O-N 3.08Å; V1906-W1909 WeakPolarHBondContact O-CB 3.37Å; V1906-W1909 PolarHBondContact O-N 2.93Å; S1907-W1909 VanDerWaalsContact C-N 3.3Å; S1907-W1909 PolarHBondContact O-N 2.96Å; W1909-R1912 PolarHBondContact O-N 3.23Å; W1909-N1913 VanDerWaalsContact CD1-OD1 3.23Å; W1909-N1913 PolarHBondContact NE1-ND2 3.18Å; W1909-N1913 PolarHBondContact NE1-OD1 3.39Å; W1909-N1913 WeakPolarHBondContact O-CB 3.27Å; W1909-N1913 PolarHBondContact O-N 3Å; W1909-N1913 PolarHBondContact O-ND2 3.45Å; W1909-N1913 PolarHBondContact O-OD1 3.09Å
1910Q87.3Confident81.5Confident1 Ų124.5 Ų24.51%0.00512%0.12CC..Hα-helixtrans-63.3-41.8173.7-171.160.335.900112.1R1789 L1791 M1795 V1906 S1907 N1913 G1914 Y1915R1789-Q1910 PolarHBondContact O-NE2 3.48Å; R1789-Q1910 VanDerWaalsContact O-NE2 3.15Å; R1789-Q1910 PolarHBondContact O-OE1 3.49Å; R1789-Q1910 VanDerWaalsContact O-OE1 3.12Å; L1791-Q1910 HydrophobicContact CD1-CB 4.25Å; L1791-Q1910 VanDerWaalsContact CG-OE1 3.31Å; M1795-Q1910 HydrophobicContact SD-CB 4.09Å; M1795-Q1910 HydrophobicContact SD-CG 4.37Å; V1906-Q1910 PolarHBondContact O-N 3.43Å; S1907-Q1910 WeakPolarHBondContact O-CB 3.28Å; S1907-Q1910 PolarHBondContact O-N 2.97Å; Q1910-N1913 PolarHBondContact O-N 3.14Å; Q1910-G1914 PolarHBondContact NE2-O 2.96Å; Q1910-G1914 WeakPolarHBondContact O-CA 3.32Å; Q1910-G1914 PolarHBondContact O-N 3.37Å; Q1910-Y1915 HydrophobicContact CG-CD1 4.19Å; Q1910-Y1915 HydrophobicContact CG-CE1 3.68Å; Q1910-Y1915 VanDerWaalsContact NE2-CD1 3.33Å
1911I86.5Confident80Confident4 Ų426.4 Ų26.42%0.02114%0.14CC..Hα-helixtrans-63.8-44.8175.6-67.4170000110.8L1607 L1780 V1857 K1860 L1861 Q1864 S1907 A1908 N1913 G1914L1607-I1911 HydrophobicContact CD2-CB 4.27Å; L1607-I1911 HydrophobicContact CD2-CG2 4.1Å; L1780-I1911 HydrophobicContact CD1-CG2 4.31Å; L1780-I1911 HydrophobicContact CD2-CG2 4.3Å; L1780-I1911 HydrophobicContact CG-CG2 4.48Å; V1857-I1911 HydrophobicContact CG1-CG2 4.12Å; K1860-I1911 HydrophobicContact CB-CG1 4.46Å; K1860-I1911 HydrophobicContact CG-CD1 4.16Å; K1860-I1911 HydrophobicContact CG-CG1 3.96Å; L1861-I1911 HydrophobicContact CB-CD1 4.3Å; L1861-I1911 HydrophobicContact CD1-CD1 4.15Å; Q1864-I1911 HydrophobicContact CB-CD1 4.2Å; Q1864-I1911 VanDerWaalsContact OE1-CD1 3.25Å; S1907-I1911 WeakPolarHBondContact O-CG1 3.38Å; S1907-I1911 PolarHBondContact O-N 3.41Å; A1908-I1911 PolarHBondContact O-N 3.47Å; I1911-N1913 VanDerWaalsContact C-N 3.3Å; I1911-N1913 PolarHBondContact O-N 3.17Å; I1911-G1914 PolarHBondContact O-N 3.44Å
1912R81.8Confident78.8Confident55 Ų5527.7 Ų27.721%0.20815%0.147CC..Hα-helixtrans-61.1-37.6178.5-172.2-178.670.9-164.83.9112.7N1606 S1608 N1609 A1908 W1909N1606-R1912 PolarHBondContact O-NH1 2.97Å; S1608-R1912 VanDerWaalsContact O-CD 3.26Å; S1608-R1912 WeakPolarHBondContact O-CD 3.34Å; N1609-R1912 HydrophobicContact CB-CG 4.03Å; A1908-R1912 WeakPolarHBondContact O-CB 3.28Å; A1908-R1912 PolarHBondContact O-N 2.89Å; W1909-R1912 PolarHBondContact O-N 3.23Å
1913N78.8Confident77.6Confident4 Ų430.4 Ų30.42%0.02116%0.158CC..Hα-helixtrans-81.3-40.3-179.4-65-5.2000112.1R1786 Y1787 W1909 Q1910 I1911R1786-N1913 WeakPolarHBondContact CG-O 3.42Å; R1786-N1913 PolarHBondContact NE-O 2.89Å; Y1787-N1913 WeakPolarHBondContact O-CA 3.3Å; Y1787-N1913 WeakPolarHBondContact O-CB 3.32Å; W1909-N1913 VanDerWaalsContact CD1-OD1 3.23Å; W1909-N1913 PolarHBondContact NE1-ND2 3.18Å; W1909-N1913 PolarHBondContact NE1-OD1 3.39Å; W1909-N1913 WeakPolarHBondContact O-CB 3.27Å; W1909-N1913 PolarHBondContact O-N 3Å; W1909-N1913 PolarHBondContact O-ND2 3.45Å; W1909-N1913 PolarHBondContact O-OD1 3.09Å; Q1910-N1913 PolarHBondContact O-N 3.14Å; I1911-N1913 VanDerWaalsContact C-N 3.3Å; I1911-N1913 PolarHBondContact O-N 3.17Å
1914G78.3Confident76.4Confident0 Ų032.5 Ų32.50%017%0.169CC..  trans87.9165-166.700000113Q1910 I1911Q1910-G1914 PolarHBondContact NE2-O 2.96Å; Q1910-G1914 WeakPolarHBondContact O-CA 3.32Å; Q1910-G1914 PolarHBondContact O-N 3.37Å; I1911-G1914 PolarHBondContact O-N 3.44Å
1915Y78.3Confident75.3Confident28 Ų2832.7 Ų32.711%0.1117%0.17CC..  trans-82.1148.1173.1-65.5-68.5000111.2Y1852 V1857 K1860 Q1910Y1852-Y1915 HydrophobicContact CD2-CD1 4.02Å; Y1852-Y1915 AromaticContact CD2-CE1 3.78Å; Y1852-Y1915 HydrophobicContact CD2-CE1 3.78Å; Y1852-Y1915 HydrophobicContact CE2-CD1 4.34Å; Y1852-Y1915 HydrophobicContact CE2-CE1 4.47Å; V1857-Y1915 HydrophobicContact CG2-CD2 3.82Å; V1857-Y1915 HydrophobicContact CG2-CE2 4.21Å; K1860-Y1915 WeakPolarHBondContact CG-OH 3.35Å; Q1910-Y1915 HydrophobicContact CG-CD1 4.19Å; Q1910-Y1915 HydrophobicContact CG-CE1 3.68Å; Q1910-Y1915 VanDerWaalsContact NE2-CD1 3.33Å
1916P73.5Confident74.2Confident5 Ų534.9 Ų34.93%0.03218%0.18CC..  trans-69.7156.2169.632.5-36.5000111.4F1382 I1788 D1790 L1918F1382-P1916 HydrophobicContact CD2-CB 4.38Å; F1382-P1916 HydrophobicContact CE2-CB 4.48Å; I1788-P1916 HydrophobicContact CG2-CB 4.11Å; D1790-P1916 HydrophobicContact CB-CG 4.19Å; P1916-L1918 WeakPolarHBondContact CG-O 3.26Å
1917E65.9Low73.3Confident148 Ų14836.8 Ų36.869%0.69219%0.194SC*.SBendtrans-71.4-29.6178.4-65.9-172.7164.600112.9K1855K1855-E1917 PolarHBondContact NZ-O 3.43Å
1918L65.6Low72.7Confident28 Ų2838.4 Ų38.415%0.14720%0.2CC..  trans-107.3134.7172-92.5100.4000111.3I1325 F1382 P1916 I1920 E2366I1325-L1918 HydrophobicContact CD1-CD1 3.6Å; I1325-L1918 HydrophobicContact CD1-CD2 3.4Å; I1325-L1918 VanDerWaalsContact CD1-CD2 3.4Å; I1325-L1918 HydrophobicContact CD1-CG 4.13Å; I1325-L1918 HydrophobicContact CG1-CD2 4.39Å; F1382-L1918 HydrophobicContact CE1-CB 4.48Å; F1382-L1918 WeakPolarHBondContact CE2-O 3.46Å; F1382-L1918 HydrophobicContact CZ-CB 3.72Å; P1916-L1918 WeakPolarHBondContact CG-O 3.26Å; L1918-I1920 HydrophobicContact CD2-CD1 3.86Å; L1918-I1920 HydrophobicContact CD2-CG1 4.19Å; L1918-E2366 WeakPolarHBondContact CD2-OE2 3.32Å; L1918-E2366 WeakPolarHBondContact CG-OE2 3.39Å
1919C63.6Low72Confident24 Ų2439.8 Ų39.816%0.16222%0.215CC..  trans-123.220.7-178-74.80000113.1Y1852 K1855 G1921 E2366Y1852-C1919 HydrophobicContact CE1-CB 4.43Å; K1855-C1919 VanDerWaalsContact CE-SG 3.54Å; C1919-G1921 PolarHBondContact O-N 2.73Å; C1919-E2366 PolarHBondContact N-OE1 3.39Å
1920I58.7Low71.5Confident48 Ų4840.8 Ų40.825%0.24622%0.223CC..  trans-71.3121.2-178.6-49.2-178.5000111.2L1918 Y2362 L2363 E2366L1918-I1920 HydrophobicContact CD2-CD1 3.86Å; L1918-I1920 HydrophobicContact CD2-CG1 4.19Å; I1920-Y2362 HydrophobicContact CG2-CG 4.49Å; I1920-L2363 HydrophobicContact CD1-CB 4.41Å; I1920-E2366 HydrophobicContact CD1-CB 4.25Å; I1920-E2366 HydrophobicContact CD1-CG 4.03Å; I1920-E2366 HydrophobicContact CG1-CG 3.8Å; I1920-E2366 WeakPolarHBondContact CG1-OE2 3.24Å
1921G60.4Low70.8Confident43 Ų4346 Ų4644%0.44326%0.256SS..  trans131137.7167.300000113.4C1919C1919-G1921 PolarHBondContact O-N 2.73Å
1922N63.8Low70.6Confident28 Ų2847.3 Ų47.315%0.1526%0.262CS..  trans-81.9131.9161.6176.53.5000107L1924 T1925 H1926 R1949N1922-L1924 PolarHBondContact O-N 2.88Å; N1922-L1924 PolarHBondContact OD1-N 3.39Å; N1922-T1925 HydrophobicContact CB-CG2 4.18Å; N1922-T1925 WeakPolarHBondContact O-CA 3.4Å; N1922-T1925 PolarHBondContact O-N 2.91Å; N1922-T1925 PolarHBondContact O-OG1 3.21Å; N1922-T1925 VanDerWaalsContact O-OG1 3.11Å; N1922-H1926 PolarHBondContact O-CD2 2.9Å; N1922-H1926 VanDerWaalsContact O-CD2 3.23Å; N1922-H1926 PolarHBondContact O-N 2.77Å; N1922-R1949 PolarHBondContact ND2-NH1 2.68Å
1923L63.9Low70.7Confident103 Ų10346.1 Ų46.154%0.53926%0.259SS..G310 helixtrans-48.9-39.5177.3-17667.9000111.9P1793 T1925 H1926P1793-L1923 HydrophobicContact CB-CB 3.93Å; P1793-L1923 HydrophobicContact CB-CD2 3.69Å; P1793-L1923 HydrophobicContact CB-CG 4.35Å; P1793-L1923 HydrophobicContact CG-CB 4.05Å; P1793-L1923 HydrophobicContact CG-CD2 4.43Å; L1923-T1925 PolarHBondContact O-N 3.02Å; L1923-H1926 PolarHBondContact O-N 3.41Å
1924L66.2Low70.9Confident44 Ų4450 Ų5023%0.2328%0.279CS..G310 helixtrans-66-15.8179-58.4177.4000114.1N1922 N1932 A1935 F1936 F1939 F1977N1922-L1924 PolarHBondContact O-N 2.88Å; N1922-L1924 PolarHBondContact OD1-N 3.39Å; L1924-N1932 WeakPolarHBondContact O-CB 3.31Å; L1924-N1932 PolarHBondContact O-ND2 3.04Å; L1924-A1935 HydrophobicContact CD2-CB 3.8Å; L1924-F1936 HydrophobicContact CB-CB 4.49Å; L1924-F1936 HydrophobicContact CB-CD2 4.34Å; L1924-F1939 HydrophobicContact CD1-CB 3.79Å; L1924-F1939 HydrophobicContact CD1-CD2 3.99Å; L1924-F1939 HydrophobicContact CD1-CG 3.97Å; L1924-F1977 WeakPolarHBondContact O-CZ 3.45Å
1925T68.8Low71Confident4 Ų451.6 Ų51.63%0.02529%0.293CS..G310 helixtrans-1123.2-178.268.50000115N1922 L1923 F1936 Y1973 F1977N1922-T1925 HydrophobicContact CB-CG2 4.18Å; N1922-T1925 WeakPolarHBondContact O-CA 3.4Å; N1922-T1925 PolarHBondContact O-N 2.91Å; N1922-T1925 PolarHBondContact O-OG1 3.21Å; N1922-T1925 VanDerWaalsContact O-OG1 3.11Å; L1923-T1925 PolarHBondContact O-N 3.02Å; T1925-F1936 HydrophobicContact CG2-CD2 3.74Å; T1925-F1936 HydrophobicContact CG2-CE2 3.7Å; T1925-F1936 HydrophobicContact CG2-CG 4.43Å; T1925-F1936 HydrophobicContact CG2-CZ 4.36Å; T1925-Y1973 VanDerWaalsContact CB-OH 3.32Å; T1925-Y1973 WeakPolarHBondContact CB-OH 3.41Å; T1925-Y1973 HydrophobicContact CG2-CE1 4.17Å; T1925-Y1973 PolarHBondContact OG1-OH 3.48Å; T1925-F1977 VanDerWaalsContact CA-CE2 3.41Å; T1925-F1977 HydrophobicContact CG2-CD1 3.99Å; T1925-F1977 HydrophobicContact CG2-CD2 3.94Å; T1925-F1977 HydrophobicContact CG2-CE1 3.93Å; T1925-F1977 HydrophobicContact CG2-CE2 3.9Å; T1925-F1977 HydrophobicContact CG2-CG 4Å; T1925-F1977 HydrophobicContact CG2-CZ 3.89Å
1926H64.9Low71.4Confident72 Ų7250.5 Ų50.533%0.33329%0.289SS..SBendtrans-70.4-32.1175.5-82.8-90.7000113.9N1922 L1923N1922-H1926 PolarHBondContact O-CD2 2.9Å; N1922-H1926 VanDerWaalsContact O-CD2 3.23Å; N1922-H1926 PolarHBondContact O-N 2.77Å; L1923-H1926 PolarHBondContact O-N 3.41Å
1927S69.8Low71.9Confident64 Ų6454.8 Ų54.845%0.44831%0.307SS..SBendtrans-125.4144.5176.766.30000112.8G1929 N1932S1927-G1929 VanDerWaalsContact C-N 3.3Å; S1927-G1929 PolarHBondContact O-N 2.94Å; S1927-N1932 VanDerWaalsContact O-CB 3.32Å; S1927-N1932 WeakPolarHBondContact O-CB 3.5Å; S1927-N1932 PolarHBondContact O-ND2 2.98Å; S1927-N1932 PolarHBondContact OG-ND2 3.4Å
1928Y75.7Confident72.7Confident35 Ų3551.6 Ų51.614%0.13730%0.297CS..  trans-93.240.6-169.8-53.1-65.1000113P1378 F1977 K1980 Q1984 L2355P1378-Y1928 HydrophobicContact CB-CE2 4.36Å; P1378-Y1928 HydrophobicContact CG-CE2 4Å; Y1928-F1977 AromaticContact CD1-CD2 3.9Å; Y1928-F1977 HydrophobicContact CD1-CD2 3.9Å; Y1928-F1977 AromaticContact CD1-CE2 3.55Å; Y1928-F1977 HydrophobicContact CD1-CE2 3.55Å; Y1928-F1977 AromaticContact CE1-CD2 3.78Å; Y1928-F1977 HydrophobicContact CE1-CD2 3.78Å; Y1928-F1977 AromaticContact CE1-CE2 3.7Å; Y1928-F1977 HydrophobicContact CE1-CE2 3.7Å; Y1928-K1980 HydrophobicContact CD1-CB 4.23Å; Y1928-K1980 HydrophobicContact CD1-CG 3.48Å; Y1928-K1980 VanDerWaalsContact CD1-CG 3.48Å; Y1928-K1980 HydrophobicContact CD2-CG 4.12Å; Y1928-K1980 HydrophobicContact CE1-CG 3.89Å; Y1928-K1980 HydrophobicContact CE2-CG 4.46Å; Y1928-K1980 HydrophobicContact CG-CG 3.63Å; Y1928-Q1984 VanDerWaalsContact O-CB 3.31Å; Y1928-Q1984 WeakPolarHBondContact O-CB 3.44Å; Y1928-Q1984 WeakPolarHBondContact O-CG 3.38Å; Y1928-L2355 HydrophobicContact CE1-CD2 3.83Å; Y1928-L2355 WeakPolarHBondContact OH-CD2 3.2Å
1929G73.5Confident73.5Confident29 Ų2951.3 Ų51.330%0.29930%0.295SS..  trans-89.1162.9-176.700000114.7S1927 T1931 N1932 M1933S1927-G1929 VanDerWaalsContact C-N 3.3Å; S1927-G1929 PolarHBondContact O-N 2.94Å; G1929-T1931 VanDerWaalsContact C-N 3.31Å; G1929-T1931 PolarHBondContact O-N 3.5Å; G1929-N1932 PolarHBondContact O-N 3.09Å; G1929-N1932 VanDerWaalsContact O-N 3.15Å; G1929-M1933 PolarHBondContact O-N 2.92Å
1930M75.8Confident74.4Confident90 Ų9053.2 Ų53.244%0.44330%0.302SS..Hα-helixtrans-57-42.2174.2-178.3-179.2176.500112.3N1932 M1933 I1934 F1985M1930-N1932 VanDerWaalsContact C-N 3.31Å; M1930-N1932 PolarHBondContact O-N 3.13Å; M1930-M1933 PolarHBondContact O-N 3.46Å; M1930-I1934 HydrophobicContact CE-CD1 3.91Å; M1930-I1934 HydrophobicContact CG-CD1 3.99Å; M1930-I1934 WeakPolarHBondContact O-CG1 3.37Å; M1930-I1934 PolarHBondContact O-N 3.44Å; M1930-F1985 HydrophobicContact CB-CD2 4.12Å; M1930-F1985 HydrophobicContact CG-CD2 4.32Å; M1930-F1985 HydrophobicContact SD-CD2 4.05Å; M1930-F1985 HydrophobicContact SD-CE2 3.71Å
1931T73.3Confident75.5Confident111 Ų11157.3 Ų57.368%0.68132%0.324SS*.Hα-helixtrans-59.2-42.9176.9-46.60000111.5G1929 I1934 A1935G1929-T1931 VanDerWaalsContact C-N 3.31Å; G1929-T1931 PolarHBondContact O-N 3.5Å; T1931-I1934 PolarHBondContact O-N 3.2Å; T1931-A1935 WeakPolarHBondContact O-CB 3.43Å; T1931-A1935 PolarHBondContact O-N 3.33Å
1932N81.7Confident76.5Confident30 Ų3058.7 Ų58.716%0.1632%0.321CS..Hα-helixtrans-70.4-41.3179.4-7525.4000111.6L1924 S1927 G1929 M1930 I1934 A1935 F1936 F1977L1924-N1932 WeakPolarHBondContact O-CB 3.31Å; L1924-N1932 PolarHBondContact O-ND2 3.04Å; S1927-N1932 VanDerWaalsContact O-CB 3.32Å; S1927-N1932 WeakPolarHBondContact O-CB 3.5Å; S1927-N1932 PolarHBondContact O-ND2 2.98Å; S1927-N1932 PolarHBondContact OG-ND2 3.4Å; G1929-N1932 PolarHBondContact O-N 3.09Å; G1929-N1932 VanDerWaalsContact O-N 3.15Å; M1930-N1932 VanDerWaalsContact C-N 3.31Å; M1930-N1932 PolarHBondContact O-N 3.13Å; N1932-I1934 VanDerWaalsContact C-N 3.29Å; N1932-I1934 PolarHBondContact O-N 3.19Å; N1932-A1935 PolarHBondContact O-N 3.18Å; N1932-F1936 WeakPolarHBondContact O-CB 3.44Å; N1932-F1936 PolarHBondContact O-N 3.13Å; N1932-F1977 HydrophobicContact CB-CZ 4.49Å
1933M84.1Confident77.3Confident30 Ų3062.2 Ų62.215%0.14835%0.345CS..Hα-helixtrans-56.7-43.7171.8-173.5-17756.600111.8G1929 M1930 K1937 C1981G1929-M1933 PolarHBondContact O-N 2.92Å; M1930-M1933 PolarHBondContact O-N 3.46Å; M1933-K1937 HydrophobicContact CG-CD 4.39Å; M1933-K1937 WeakPolarHBondContact O-CB 3.11Å; M1933-K1937 VanDerWaalsContact O-CG 3.3Å; M1933-K1937 WeakPolarHBondContact O-CG 3.35Å; M1933-K1937 PolarHBondContact O-N 3.02Å; M1933-C1981 HydrophobicContact CB-CB 3.73Å; M1933-C1981 HydrophobicContact CG-CB 4.05Å; M1933-C1981 HydrophobicContact SD-CB 4.22Å
1934I84.2Confident78.3Confident86 Ų8664.7 Ų64.744%0.44135%0.352SS..Hα-helixtrans-67.8-49.5178.5-68167.5000110.4M1930 T1931 N1932 F1936 K1937 V1938M1930-I1934 HydrophobicContact CE-CD1 3.91Å; M1930-I1934 HydrophobicContact CG-CD1 3.99Å; M1930-I1934 WeakPolarHBondContact O-CG1 3.37Å; M1930-I1934 PolarHBondContact O-N 3.44Å; T1931-I1934 PolarHBondContact O-N 3.2Å; N1932-I1934 VanDerWaalsContact C-N 3.29Å; N1932-I1934 PolarHBondContact O-N 3.19Å; I1934-F1936 VanDerWaalsContact C-N 3.31Å; I1934-F1936 PolarHBondContact O-N 3.28Å; I1934-K1937 PolarHBondContact O-N 3.37Å; I1934-V1938 HydrophobicContact CG2-CG2 4.49Å; I1934-V1938 WeakPolarHBondContact O-CG2 3.46Å; I1934-V1938 PolarHBondContact O-N 3.31Å
1935A80.2Confident79Confident34 Ų3464.4 Ų64.428%0.28135%0.351SS..Hα-helixtrans-62.6-37.5179.900000112.3L1924 T1931 N1932 V1938 F1939L1924-A1935 HydrophobicContact CD2-CB 3.8Å; T1931-A1935 WeakPolarHBondContact O-CB 3.43Å; T1931-A1935 PolarHBondContact O-N 3.33Å; N1932-A1935 PolarHBondContact O-N 3.18Å; A1935-V1938 PolarHBondContact O-N 2.93Å; A1935-F1939 WeakPolarHBondContact O-CB 3.43Å; A1935-F1939 PolarHBondContact O-N 2.85Å
1936F85.6Confident79.8Confident5 Ų565.5 Ų65.52%0.02236%0.355CS..Hα-helixtrans-70-39.6174.7-173.2-106.2000112.5L1924 T1925 N1932 I1934 F1939 M1940 A1974 F1977L1924-F1936 HydrophobicContact CB-CB 4.49Å; L1924-F1936 HydrophobicContact CB-CD2 4.34Å; T1925-F1936 HydrophobicContact CG2-CD2 3.74Å; T1925-F1936 HydrophobicContact CG2-CE2 3.7Å; T1925-F1936 HydrophobicContact CG2-CG 4.43Å; T1925-F1936 HydrophobicContact CG2-CZ 4.36Å; N1932-F1936 WeakPolarHBondContact O-CB 3.44Å; N1932-F1936 PolarHBondContact O-N 3.13Å; I1934-F1936 VanDerWaalsContact C-N 3.31Å; I1934-F1936 PolarHBondContact O-N 3.28Å; F1936-F1939 HydrophobicContact CD2-CD1 4.48Å; F1936-F1939 HydrophobicContact CE2-CD1 4.46Å; F1936-F1939 WeakPolarHBondContact O-CB 3.26Å; F1936-F1939 PolarHBondContact O-N 3.04Å; F1936-M1940 HydrophobicContact CD1-CE 3.99Å; F1936-M1940 HydrophobicContact CD1-SD 4.29Å; F1936-M1940 HydrophobicContact CE1-CE 3.83Å; F1936-M1940 HydrophobicContact CE1-CG 4.22Å; F1936-M1940 HydrophobicContact CE1-SD 3.64Å; F1936-M1940 HydrophobicContact CZ-CG 4.31Å; F1936-M1940 HydrophobicContact CZ-SD 4.03Å; F1936-M1940 WeakPolarHBondContact O-CG 3.45Å; F1936-M1940 PolarHBondContact O-N 2.88Å; F1936-A1974 HydrophobicContact CE1-CB 3.82Å; F1936-A1974 HydrophobicContact CZ-CB 3.68Å; F1936-F1977 HydrophobicContact CB-CD1 4.46Å; F1936-F1977 HydrophobicContact CB-CE1 3.89Å; F1936-F1977 AromaticContact CD1-CD1 3.53Å; F1936-F1977 HydrophobicContact CD1-CD1 3.53Å; F1936-F1977 AromaticContact CD1-CE1 3.84Å; F1936-F1977 HydrophobicContact CD1-CE1 3.84Å; F1936-F1977 HydrophobicContact CD2-CE1 4.45Å; F1936-F1977 AromaticContact CE1-CD1 3.81Å; F1936-F1977 HydrophobicContact CE1-CD1 3.81Å; F1936-F1977 AromaticContact CG-CD1 3.92Å; F1936-F1977 HydrophobicContact CG-CD1 3.92Å; F1936-F1977 AromaticContact CG-CE1 3.8Å; F1936-F1977 HydrophobicContact CG-CE1 3.8Å; F1936-F1977 HydrophobicContact CZ-CD1 4.43Å
1937K84.9Confident80.8Confident95 Ų9567 Ų6741%0.41336%0.362SS..Hα-helixtrans-65.2-37.9171.1-76.4-177.8-178.9-175.60112.4M1933 I1934 M1940 N1941 N1978M1933-K1937 HydrophobicContact CG-CD 4.39Å; M1933-K1937 WeakPolarHBondContact O-CB 3.11Å; M1933-K1937 VanDerWaalsContact O-CG 3.3Å; M1933-K1937 WeakPolarHBondContact O-CG 3.35Å; M1933-K1937 PolarHBondContact O-N 3.02Å; I1934-K1937 PolarHBondContact O-N 3.37Å; K1937-M1940 HydrophobicContact CG-CE 4.29Å; K1937-M1940 PolarHBondContact O-N 3.23Å; K1937-N1941 WeakPolarHBondContact O-CB 3.39Å; K1937-N1941 PolarHBondContact O-N 3.33Å; K1937-N1941 PolarHBondContact O-ND2 3.47Å; K1937-N1941 VanDerWaalsContact O-ND2 3.12Å; K1937-N1978 WeakPolarHBondContact CE-OD1 3.34Å; K1937-N1978 WeakPolarHBondContact CG-OD1 3.48Å
1938V82.4Confident81.5Confident81 Ų8168.4 Ų68.449%0.49136%0.364SS..Hα-helixtrans-62.5-47.5172169.90000110.2I1934 A1935 M1940 N1941 I1942I1934-V1938 HydrophobicContact CG2-CG2 4.49Å; I1934-V1938 WeakPolarHBondContact O-CG2 3.46Å; I1934-V1938 PolarHBondContact O-N 3.31Å; A1935-V1938 PolarHBondContact O-N 2.93Å; V1938-M1940 VanDerWaalsContact C-N 3.33Å; V1938-M1940 PolarHBondContact O-N 3.45Å; V1938-N1941 PolarHBondContact O-N 2.87Å; V1938-I1942 HydrophobicContact CG1-CD1 4.48Å; V1938-I1942 WeakPolarHBondContact O-CG1 3.37Å; V1938-I1942 PolarHBondContact O-N 3.05Å; V1938-I1942 VanDerWaalsContact O-N 3.16Å
1939F82.8Confident82Confident22 Ų2268.9 Ų68.910%0.09637%0.366CS..Hα-helixtrans-54.4-44.5175.8173.9-87.2000112.7L1924 A1935 F1936 L1945 F1946L1924-F1939 HydrophobicContact CD1-CB 3.79Å; L1924-F1939 HydrophobicContact CD1-CD2 3.99Å; L1924-F1939 HydrophobicContact CD1-CG 3.97Å; A1935-F1939 WeakPolarHBondContact O-CB 3.43Å; A1935-F1939 PolarHBondContact O-N 2.85Å; F1936-F1939 HydrophobicContact CD2-CD1 4.48Å; F1936-F1939 HydrophobicContact CE2-CD1 4.46Å; F1936-F1939 WeakPolarHBondContact O-CB 3.26Å; F1936-F1939 PolarHBondContact O-N 3.04Å; F1939-L1945 HydrophobicContact CD2-CD2 3.67Å; F1939-L1945 HydrophobicContact CE1-CD2 4.42Å; F1939-L1945 HydrophobicContact CE2-CD2 3.16Å; F1939-L1945 HydrophobicContact CG-CD2 4.47Å; F1939-L1945 HydrophobicContact CZ-CD2 3.56Å; F1939-F1946 HydrophobicContact CE1-CD2 4.2Å
1940M81.8Confident82.7Confident63 Ų6367.5 Ų67.531%0.3135%0.352SS..Hα-helixtrans-70.6-26.9175.5-68.7-167.1-58.300114F1936 K1937 V1938 A1974 N1978F1936-M1940 HydrophobicContact CD1-CE 3.99Å; F1936-M1940 HydrophobicContact CD1-SD 4.29Å; F1936-M1940 HydrophobicContact CE1-CE 3.83Å; F1936-M1940 HydrophobicContact CE1-CG 4.22Å; F1936-M1940 HydrophobicContact CE1-SD 3.64Å; F1936-M1940 HydrophobicContact CZ-CG 4.31Å; F1936-M1940 HydrophobicContact CZ-SD 4.03Å; F1936-M1940 WeakPolarHBondContact O-CG 3.45Å; F1936-M1940 PolarHBondContact O-N 2.88Å; K1937-M1940 HydrophobicContact CG-CE 4.29Å; K1937-M1940 PolarHBondContact O-N 3.23Å; V1938-M1940 VanDerWaalsContact C-N 3.33Å; V1938-M1940 PolarHBondContact O-N 3.45Å; M1940-A1974 HydrophobicContact SD-CB 3.77Å; M1940-N1978 WeakPolarHBondContact CE-ND2 3.01Å
1941N81.5Confident83.3Confident134 Ų13464.8 Ų64.872%0.71734%0.343SS*.Hα-helixtrans-82.7-10.4179-73.5-26.9000113.5K1937 V1938K1937-N1941 WeakPolarHBondContact O-CB 3.39Å; K1937-N1941 PolarHBondContact O-N 3.33Å; K1937-N1941 PolarHBondContact O-ND2 3.47Å; K1937-N1941 VanDerWaalsContact O-ND2 3.12Å; V1938-N1941 PolarHBondContact O-N 2.87Å
1942I81.6Confident84Confident73 Ų7360.4 Ų60.437%0.37432%0.315SS..SBendtrans-75.3120.5175.1-64.7164.3000108.3V1938 L1945V1938-I1942 HydrophobicContact CG1-CD1 4.48Å; V1938-I1942 WeakPolarHBondContact O-CG1 3.37Å; V1938-I1942 PolarHBondContact O-N 3.05Å; V1938-I1942 VanDerWaalsContact O-N 3.16Å; I1942-L1945 HydrophobicContact CB-CB 4Å; I1942-L1945 HydrophobicContact CB-CD1 4.25Å; I1942-L1945 HydrophobicContact CD1-CD1 4.08Å; I1942-L1945 HydrophobicContact CG2-CB 3.68Å; I1942-L1945 HydrophobicContact CG2-CD1 3.77Å; I1942-L1945 HydrophobicContact CG2-CG 4.38Å; I1942-L1945 PolarHBondContact O-N 2.8Å
1943P81.2Confident84.2Confident102 Ų10259.5 Ų59.566%0.66231%0.31SS*.THydrogen-bonded Turntrans-60.5140.9-175.125.7-35.1000111.3L1945P1943-L1945 PolarHBondContact O-N 2.88Å
1944F83.5Confident84.5Confident154 Ų15462.3 Ų62.368%0.67532%0.32SS*.THydrogen-bonded Turntrans59-13.2-176.4-47.5-67000116.6E1947 L1948F1944-E1947 PolarHBondContact O-N 3.31Å; F1944-L1948 WeakPolarHBondContact O-CA 3.49Å; F1944-L1948 WeakPolarHBondContact O-CB 3.43Å; F1944-L1948 PolarHBondContact O-N 3.27Å
1945L82.7Confident84.8Confident39 Ų3962 Ų6220%0.20432%0.321CS..Hα-helixtrans-70.8-43.5-172.2-165.5158.6000112.1F1939 I1942 P1943 R1949F1939-L1945 HydrophobicContact CD2-CD2 3.67Å; F1939-L1945 HydrophobicContact CE1-CD2 4.42Å; F1939-L1945 HydrophobicContact CE2-CD2 3.16Å; F1939-L1945 HydrophobicContact CG-CD2 4.47Å; F1939-L1945 HydrophobicContact CZ-CD2 3.56Å; I1942-L1945 HydrophobicContact CB-CB 4Å; I1942-L1945 HydrophobicContact CB-CD1 4.25Å; I1942-L1945 HydrophobicContact CD1-CD1 4.08Å; I1942-L1945 HydrophobicContact CG2-CB 3.68Å; I1942-L1945 HydrophobicContact CG2-CD1 3.77Å; I1942-L1945 HydrophobicContact CG2-CG 4.38Å; I1942-L1945 PolarHBondContact O-N 2.8Å; P1943-L1945 PolarHBondContact O-N 2.88Å; L1945-R1949 VanDerWaalsContact O-CB 3.29Å; L1945-R1949 WeakPolarHBondContact O-CB 3.38Å; L1945-R1949 PolarHBondContact O-N 3.18Å
1946F84.7Confident85.1Confident26 Ų2663.9 Ų63.911%0.11432%0.322CS..Hα-helixtrans-60.2-49.7172.3176.4-102.7000111.3F1939 R1949 T1950 E1970 N1971F1939-F1946 HydrophobicContact CE1-CD2 4.2Å; F1946-R1949 PolarHBondContact O-N 3.02Å; F1946-T1950 HydrophobicContact CD2-CG2 4.49Å; F1946-T1950 HydrophobicContact CE1-CG2 4.32Å; F1946-T1950 HydrophobicContact CE2-CG2 4.11Å; F1946-T1950 HydrophobicContact CZ-CG2 4.03Å; F1946-T1950 WeakPolarHBondContact O-CG2 3.4Å; F1946-T1950 PolarHBondContact O-N 2.75Å; F1946-T1950 PolarHBondContact O-OG1 2.88Å; F1946-E1970 HydrophobicContact CZ-CB 4.12Å; F1946-N1971 VanDerWaalsContact CE1-OD1 3.27Å; F1946-N1971 WeakPolarHBondContact CE1-OD1 3.26Å; F1946-N1971 WeakPolarHBondContact CZ-OD1 3.16Å
1947E85.7Confident85.1Confident103 Ų10365.8 Ų65.848%0.48133%0.334SS..Hα-helixtrans-66.2-41.5-177.1-57.7174.7164.800113.1F1944 T1950 A1951 F1967F1944-E1947 PolarHBondContact O-N 3.31Å; E1947-T1950 PolarHBondContact O-OG1 3.34Å; E1947-T1950 VanDerWaalsContact O-OG1 3.07Å; E1947-A1951 WeakPolarHBondContact O-CB 3.43Å; E1947-A1951 PolarHBondContact O-N 2.77Å; E1947-F1967 HydrophobicContact CB-CE1 4.13Å; E1947-F1967 HydrophobicContact CB-CZ 4.26Å; E1947-F1967 HydrophobicContact CG-CE1 4.24Å
1948L85.1Confident85.1Confident95 Ų9564.5 Ų64.550%0.49733%0.331SS..Hα-helixtrans-65.9-43.9175.3-176.468.3000109.5F1944 A1951 I1952F1944-L1948 WeakPolarHBondContact O-CA 3.49Å; F1944-L1948 WeakPolarHBondContact O-CB 3.43Å; F1944-L1948 PolarHBondContact O-N 3.27Å; L1948-A1951 PolarHBondContact O-N 2.95Å; L1948-I1952 HydrophobicContact CD1-CD1 4.1Å; L1948-I1952 HydrophobicContact CD1-CG1 4.29Å; L1948-I1952 HydrophobicContact CD2-CD1 4.28Å; L1948-I1952 HydrophobicContact CG-CD1 3.72Å; L1948-I1952 HydrophobicContact CG-CG1 4.26Å; L1948-I1952 WeakPolarHBondContact O-CB 3.39Å; L1948-I1952 WeakPolarHBondContact O-CG1 3.37Å; L1948-I1952 PolarHBondContact O-N 2.88Å
1949R86.2Confident85.4Confident45 Ų4562.1 Ų62.117%0.1732%0.317CS..Hα-helixtrans-59.6-50.5175.4178.8-170.8158.3-146.4-22.2111.3N1922 L1945 F1946 A1951 I1952 D1953 E1970N1922-R1949 PolarHBondContact ND2-NH1 2.68Å; L1945-R1949 VanDerWaalsContact O-CB 3.29Å; L1945-R1949 WeakPolarHBondContact O-CB 3.38Å; L1945-R1949 PolarHBondContact O-N 3.18Å; F1946-R1949 PolarHBondContact O-N 3.02Å; R1949-A1951 VanDerWaalsContact C-N 3.3Å; R1949-A1951 PolarHBondContact O-N 3.18Å; R1949-I1952 PolarHBondContact O-N 3.1Å; R1949-D1953 WeakPolarHBondContact CG-OD2 3.29Å; R1949-D1953 IonicContact CZ-OD2 2.74Å; R1949-D1953 IonicContact NE-OD2 3.66Å; R1949-D1953 PolarHBondContact NE-OD2 2.93Å; R1949-D1953 IonicContact NH2-OD2 2.81Å; R1949-D1953 WeakPolarHBondContact O-CB 3.34Å; R1949-D1953 PolarHBondContact O-N 3.23Å; R1949-E1970 IonicContact NH2-OE2 3.55Å
1950T86.9Confident85.6Confident0 Ų062.8 Ų62.80%032%0.324CS..Hα-helixtrans-64.7-36.4-17751.60000111.7F1946 E1947 W1954 F1966 F1967 E1970F1946-T1950 HydrophobicContact CD2-CG2 4.49Å; F1946-T1950 HydrophobicContact CE1-CG2 4.32Å; F1946-T1950 HydrophobicContact CE2-CG2 4.11Å; F1946-T1950 HydrophobicContact CZ-CG2 4.03Å; F1946-T1950 WeakPolarHBondContact O-CG2 3.4Å; F1946-T1950 PolarHBondContact O-N 2.75Å; F1946-T1950 PolarHBondContact O-OG1 2.88Å; E1947-T1950 PolarHBondContact O-OG1 3.34Å; E1947-T1950 VanDerWaalsContact O-OG1 3.07Å; T1950-W1954 VanDerWaalsContact O-CB 3.28Å; T1950-W1954 WeakPolarHBondContact O-CB 3.17Å; T1950-W1954 PolarHBondContact O-N 3.41Å; T1950-F1966 WeakPolarHBondContact O-CE1 3.1Å; T1950-F1967 WeakPolarHBondContact OG1-CE1 3.39Å; T1950-F1967 WeakPolarHBondContact OG1-CZ 3.44Å; T1950-E1970 HydrophobicContact CG2-CB 3.9Å; T1950-E1970 HydrophobicContact CG2-CG 3.81Å
1951A88.7Confident85.8Confident32 Ų3260 Ų6026%0.26431%0.311SS..Hα-helixtrans-64.8-47.1171.900000112.6E1947 L1948 R1949 W1954 T1955E1947-A1951 WeakPolarHBondContact O-CB 3.43Å; E1947-A1951 PolarHBondContact O-N 2.77Å; L1948-A1951 PolarHBondContact O-N 2.95Å; R1949-A1951 VanDerWaalsContact C-N 3.3Å; R1949-A1951 PolarHBondContact O-N 3.18Å; A1951-W1954 PolarHBondContact O-N 3.02Å; A1951-T1955 WeakPolarHBondContact O-CG2 3.46Å; A1951-T1955 PolarHBondContact O-N 3.33Å; A1951-T1955 PolarHBondContact O-OG1 3.01Å
1952I88.1Confident86.1Confident20 Ų2056.2 Ų56.210%0.10329%0.293CS..Hα-helixtrans-57.4-53.3175.6-76.8-179.4000110.5I1846 R1849 L1948 R1949 W1954 T1955 W1956I1846-I1952 HydrophobicContact CG1-CD1 4.03Å; R1849-I1952 HydrophobicContact CB-CG2 4.22Å; R1849-I1952 HydrophobicContact CG-CG2 3.39Å; L1948-I1952 HydrophobicContact CD1-CD1 4.1Å; L1948-I1952 HydrophobicContact CD1-CG1 4.29Å; L1948-I1952 HydrophobicContact CD2-CD1 4.28Å; L1948-I1952 HydrophobicContact CG-CD1 3.72Å; L1948-I1952 HydrophobicContact CG-CG1 4.26Å; L1948-I1952 WeakPolarHBondContact O-CB 3.39Å; L1948-I1952 WeakPolarHBondContact O-CG1 3.37Å; L1948-I1952 PolarHBondContact O-N 2.88Å; R1949-I1952 PolarHBondContact O-N 3.1Å; I1952-W1954 VanDerWaalsContact C-N 3.29Å; I1952-W1954 PolarHBondContact O-N 3.01Å; I1952-T1955 PolarHBondContact O-N 3.03Å; I1952-T1955 PolarHBondContact O-OG1 3.06Å; I1952-W1956 HydrophobicContact CB-CE3 4.28Å; I1952-W1956 HydrophobicContact CB-CZ3 3.92Å; I1952-W1956 HydrophobicContact CG1-CZ3 3.87Å; I1952-W1956 HydrophobicContact CG2-CE3 3.74Å; I1952-W1956 HydrophobicContact CG2-CZ3 3.65Å; I1952-W1956 PolarHBondContact O-N 3.48Å
1953D86.8Confident86.5Confident10 Ų1055.3 Ų55.35%0.05329%0.289CS..Hα-helixtrans-62.2-37.3-178.1-71.2-9.8000110.5R1849 R1949 T1957 F1966R1849-D1953 IonicContact CZ-OD1 3.34Å; R1849-D1953 IonicContact NE-OD1 3.45Å; R1849-D1953 PolarHBondContact NE-OD1 3.25Å; R1849-D1953 IonicContact NH2-OD1 3.46Å; R1849-D1953 PolarHBondContact NH2-OD1 3.03Å; R1849-D1953 IonicContact NH2-OD2 3.16Å; R1849-D1953 PolarHBondContact NH2-OD2 3.31Å; R1949-D1953 WeakPolarHBondContact CG-OD2 3.29Å; R1949-D1953 IonicContact CZ-OD2 2.74Å; R1949-D1953 IonicContact NE-OD2 3.66Å; R1949-D1953 PolarHBondContact NE-OD2 2.93Å; R1949-D1953 IonicContact NH2-OD2 2.81Å; R1949-D1953 WeakPolarHBondContact O-CB 3.34Å; R1949-D1953 PolarHBondContact O-N 3.23Å; D1953-T1957 WeakPolarHBondContact O-CB 3.32Å; D1953-T1957 PolarHBondContact O-N 3.47Å; D1953-T1957 VanDerWaalsContact O-N 3.09Å; D1953-T1957 PolarHBondContact O-OG1 2.82Å; D1953-F1966 HydrophobicContact CB-CZ 4.34Å
1954W90.4Very high86.9Confident90 Ų9058.4 Ų58.434%0.34129%0.292SS..Hα-helixtrans-65.6-38.1171.217882.4000113.6T1950 A1951 I1952 M1961 L1963 F1966T1950-W1954 VanDerWaalsContact O-CB 3.28Å; T1950-W1954 WeakPolarHBondContact O-CB 3.17Å; T1950-W1954 PolarHBondContact O-N 3.41Å; A1951-W1954 PolarHBondContact O-N 3.02Å; I1952-W1954 VanDerWaalsContact C-N 3.29Å; I1952-W1954 PolarHBondContact O-N 3.01Å; W1954-M1961 PolarHBondContact NE1-O 3.5Å; W1954-L1963 HydrophobicContact CB-CD1 4.18Å; W1954-L1963 HydrophobicContact CD2-CB 4.35Å; W1954-L1963 HydrophobicContact CD2-CD1 3.66Å; W1954-L1963 HydrophobicContact CE3-CD1 3.68Å; W1954-L1963 HydrophobicContact CG-CD1 3.88Å; W1954-L1963 HydrophobicContact CZ2-CB 4.23Å; W1954-L1963 HydrophobicContact CZ3-CD1 4.32Å; W1954-F1966 HydrophobicContact CB-CD1 4.14Å; W1954-F1966 HydrophobicContact CB-CD2 4.37Å; W1954-F1966 HydrophobicContact CB-CE1 4.2Å; W1954-F1966 HydrophobicContact CB-CE2 4.39Å; W1954-F1966 HydrophobicContact CB-CG 4.24Å; W1954-F1966 HydrophobicContact CB-CZ 4.31Å; W1954-F1966 AromaticContact CD1-CD2 3.86Å; W1954-F1966 AromaticContact CD1-CG 3.93Å; W1954-F1966 HydrophobicContact CG-CG 4.45Å
1955T89.7Confident87.2Confident78 Ų7851.6 Ų51.648%0.47926%0.263SS..Hα-helixtrans-72.7-25.6-178.851.60000115.4A1951 I1952A1951-T1955 WeakPolarHBondContact O-CG2 3.46Å; A1951-T1955 PolarHBondContact O-N 3.33Å; A1951-T1955 PolarHBondContact O-OG1 3.01Å; I1952-T1955 PolarHBondContact O-N 3.03Å; I1952-T1955 PolarHBondContact O-OG1 3.06Å
1956W87.3Confident87.6Confident75 Ų7549.9 Ų49.928%0.28425%0.254SS..Hα-helixtrans-113.3-6.9-177.6-72.5-66.9000115.1I1846 A1850 L1853 I1952I1846-W1956 HydrophobicContact CG2-CH2 3.49Å; I1846-W1956 VanDerWaalsContact CG2-CH2 3.49Å; I1846-W1956 HydrophobicContact CG2-CZ2 4.35Å; I1846-W1956 HydrophobicContact CG2-CZ3 4.08Å; A1850-W1956 HydrophobicContact CB-CD2 3.71Å; A1850-W1956 HydrophobicContact CB-CE3 4.2Å; A1850-W1956 HydrophobicContact CB-CG 4.12Å; A1850-W1956 HydrophobicContact CB-CH2 4.44Å; A1850-W1956 HydrophobicContact CB-CZ2 3.91Å; L1853-W1956 HydrophobicContact CB-CB 4.06Å; L1853-W1956 HydrophobicContact CD1-CB 3.77Å; I1952-W1956 HydrophobicContact CB-CE3 4.28Å; I1952-W1956 HydrophobicContact CB-CZ3 3.92Å; I1952-W1956 HydrophobicContact CG1-CZ3 3.87Å; I1952-W1956 HydrophobicContact CG2-CE3 3.74Å; I1952-W1956 HydrophobicContact CG2-CZ3 3.65Å; I1952-W1956 PolarHBondContact O-N 3.48Å
1957T84.3Confident87.9Confident45 Ų4550.6 Ų50.628%0.27626%0.257SS..SBendtrans-97.7132.7172.5-48.30000109.8D1953 T1959 R2365D1953-T1957 WeakPolarHBondContact O-CB 3.32Å; D1953-T1957 PolarHBondContact O-N 3.47Å; D1953-T1957 VanDerWaalsContact O-N 3.09Å; D1953-T1957 PolarHBondContact O-OG1 2.82Å; T1957-T1959 PolarHBondContact O-N 3.17Å; T1957-R2365 HydrophobicContact CG2-CG 4.19Å
1958D86.2Confident88.1Confident68 Ų6849 Ų4936%0.36425%0.251SS..  trans-68.2116.8172.1-50.9-28.7000108.5R1854 K2368 F2370R1854-D1958 IonicContact NH1-OD1 3.64Å; D1958-K2368 WeakPolarHBondContact OD2-CE 3.33Å; D1958-K2368 IonicContact OD2-NZ 2.69Å; D1958-K2368 PolarHBondContact OD2-NZ 3.36Å; D1958-F2370 HydrophobicContact CB-CE1 4.46Å; D1958-F2370 HydrophobicContact CB-CZ 3.92Å; D1958-F2370 WeakPolarHBondContact O-CE1 3.2Å
1959T88.1Confident88.2Confident31 Ų3144.4 Ų44.419%0.1923%0.228CC..  trans-149.6155178.7176.50000110.2T1957 M1961 F1966 E2373T1957-T1959 PolarHBondContact O-N 3.17Å; T1959-M1961 PolarHBondContact OG1-N 3.39Å; T1959-F1966 HydrophobicContact CG2-CD2 4.25Å; T1959-F1966 HydrophobicContact CG2-CE2 4.36Å; T1959-E2373 VanDerWaalsContact OG1-CD 3.29Å; T1959-E2373 PolarHBondContact OG1-OE1 3.23Å; T1959-E2373 PolarHBondContact OG1-OE2 3Å
1960S86.7Confident88.4Confident36 Ų3642.7 Ų42.725%0.25222%0.221SC..  trans-97.9-6.5176.666.20000114.6F2370 E2373 Q2374S1960-F2370 PolarHBondContact OG-O 2.71Å; S1960-E2373 PolarHBondContact N-OE2 3.35Å; S1960-E2373 PolarHBondContact OG-OE2 2.76Å; S1960-Q2374 VanDerWaalsContact CB-NE2 3.33Å; S1960-Q2374 WeakPolarHBondContact OG-CG 3.46Å; S1960-Q2374 PolarHBondContact OG-NE2 3.38Å
1961M85.6Confident88.5Confident5 Ų546.3 Ų46.33%0.02524%0.241CC..SBendtrans-76.6137179.6-60.2-167.8-169.700111.8W1954 T1959 F1966 M1969 I2361 E2373 F2377W1954-M1961 PolarHBondContact NE1-O 3.5Å; T1959-M1961 PolarHBondContact OG1-N 3.39Å; M1961-F1966 HydrophobicContact CB-CB 4.48Å; M1961-M1969 HydrophobicContact SD-CB 4.46Å; M1961-I2361 HydrophobicContact CE-CG2 3.7Å; M1961-E2373 HydrophobicContact CE-CG 3.48Å; M1961-E2373 VanDerWaalsContact CE-CG 3.48Å; M1961-E2373 HydrophobicContact CG-CG 4.34Å; M1961-F2377 HydrophobicContact CE-CB 3.55Å; M1961-F2377 HydrophobicContact CE-CD1 4.32Å; M1961-F2377 HydrophobicContact CE-CD2 3.96Å; M1961-F2377 HydrophobicContact CE-CG 3.69Å; M1961-F2377 HydrophobicContact SD-CD1 4.28Å; M1961-F2377 HydrophobicContact SD-CD2 4.17Å; M1961-F2377 HydrophobicContact SD-CE2 4.44Å; M1961-F2377 HydrophobicContact SD-CG 4.08Å
1962P89.5Confident88.5Confident54 Ų5447.3 Ų47.335%0.35124%0.239SC..  trans-68152.1167.731-33.6000110.5Y1354 F1964 D1965 F1966Y1354-P1962 HydrophobicContact CD1-CG 4.38Å; Y1354-P1962 HydrophobicContact CE1-CG 3.61Å; Y1354-P1962 WeakPolarHBondContact OH-CD 3.46Å; P1962-F1964 VanDerWaalsContact C-N 3.35Å; P1962-F1964 PolarHBondContact O-N 3.33Å; P1962-F1964 VanDerWaalsContact O-N 3.14Å; P1962-D1965 HydrophobicContact CG-CB 4.04Å; P1962-D1965 WeakPolarHBondContact CG-OD2 3.41Å; P1962-D1965 PolarHBondContact O-N 3.16Å; P1962-F1966 PolarHBondContact O-N 2.87Å; P1962-F1966 VanDerWaalsContact O-N 3.09Å
1963L88.5Confident88.5Confident54 Ų5447.1 Ų47.128%0.28324%0.238SC..Hα-helixtrans-44.5-51.4-173.2-175.968.3000114W1954 D1965 F1966 F1967W1954-L1963 HydrophobicContact CB-CD1 4.18Å; W1954-L1963 HydrophobicContact CD2-CB 4.35Å; W1954-L1963 HydrophobicContact CD2-CD1 3.66Å; W1954-L1963 HydrophobicContact CE3-CD1 3.68Å; W1954-L1963 HydrophobicContact CG-CD1 3.88Å; W1954-L1963 HydrophobicContact CZ2-CB 4.23Å; W1954-L1963 HydrophobicContact CZ3-CD1 4.32Å; L1963-D1965 VanDerWaalsContact C-N 3.27Å; L1963-D1965 PolarHBondContact O-N 3.26Å; L1963-F1966 WeakPolarHBondContact O-CB 3.45Å; L1963-F1966 PolarHBondContact O-N 3.29Å; L1963-F1967 HydrophobicContact CD1-CD2 4.04Å; L1963-F1967 HydrophobicContact CD1-CE2 3.81Å; L1963-F1967 HydrophobicContact CD2-CE2 4.48Å; L1963-F1967 HydrophobicContact CG-CD2 3.97Å; L1963-F1967 HydrophobicContact CG-CE2 3.96Å; L1963-F1967 WeakPolarHBondContact O-CD2 3.44Å; L1963-F1967 PolarHBondContact O-N 3.12Å
1964F89.4Confident88.6Confident166 Ų16646.9 Ų46.973%0.72824%0.237SC*.Hα-helixtrans-63.8-29.4-178-66.6-66.2000114P1962 F1967 N1968P1962-F1964 VanDerWaalsContact C-N 3.35Å; P1962-F1964 PolarHBondContact O-N 3.33Å; P1962-F1964 VanDerWaalsContact O-N 3.14Å; F1964-F1967 WeakPolarHBondContact O-CB 3.46Å; F1964-N1968 VanDerWaalsContact O-CG 3.23Å; F1964-N1968 PolarHBondContact O-N 2.92Å; F1964-N1968 PolarHBondContact O-ND2 3Å; F1964-N1968 VanDerWaalsContact O-ND2 3.1Å
1965D90.1Very high88.4Confident11 Ų1146 Ų466%0.05924%0.236CC..Hα-helixtrans-82.4-32.2177.9-75.4-36000112.2Y1354 K1358 P1962 L1963 F1967 N1968 M1969 F2377Y1354-D1965 WeakPolarHBondContact OH-CB 3.45Å; Y1354-D1965 PolarHBondContact OH-OD2 2.88Å; Y1354-D1965 VanDerWaalsContact OH-OD2 3.05Å; K1358-D1965 WeakPolarHBondContact CE-OD1 3.3Å; K1358-D1965 WeakPolarHBondContact CE-OD2 3.28Å; K1358-D1965 IonicContact NZ-OD1 2.79Å; K1358-D1965 PolarHBondContact NZ-OD1 3.41Å; K1358-D1965 IonicContact NZ-OD2 3.86Å; K1358-D1965 PolarHBondContact NZ-OD2 3.36Å; P1962-D1965 HydrophobicContact CG-CB 4.04Å; P1962-D1965 WeakPolarHBondContact CG-OD2 3.41Å; P1962-D1965 PolarHBondContact O-N 3.16Å; L1963-D1965 VanDerWaalsContact C-N 3.27Å; L1963-D1965 PolarHBondContact O-N 3.26Å; D1965-F1967 VanDerWaalsContact C-N 3.35Å; D1965-N1968 PolarHBondContact O-N 3.48Å; D1965-N1968 PolarHBondContact OD1-ND2 3.35Å; D1965-M1969 WeakPolarHBondContact O-CB 3.33Å; D1965-M1969 PolarHBondContact O-N 3.42Å; D1965-F2377 HydrophobicContact CB-CE1 3.62Å; D1965-F2377 HydrophobicContact CB-CZ 3.68Å; D1965-F2377 WeakPolarHBondContact O-CZ 3.49Å
1966F90.7Very high88.4Confident3 Ų342.3 Ų42.31%0.01321%0.213CC..Hα-helixtrans-59.5-45.1165.2-169.7-79.7000111.3T1950 D1953 W1954 T1959 M1961 P1962 L1963 N1968 M1969 E1970T1950-F1966 WeakPolarHBondContact O-CE1 3.1Å; D1953-F1966 HydrophobicContact CB-CZ 4.34Å; W1954-F1966 HydrophobicContact CB-CD1 4.14Å; W1954-F1966 HydrophobicContact CB-CD2 4.37Å; W1954-F1966 HydrophobicContact CB-CE1 4.2Å; W1954-F1966 HydrophobicContact CB-CE2 4.39Å; W1954-F1966 HydrophobicContact CB-CG 4.24Å; W1954-F1966 HydrophobicContact CB-CZ 4.31Å; W1954-F1966 AromaticContact CD1-CD2 3.86Å; W1954-F1966 AromaticContact CD1-CG 3.93Å; W1954-F1966 HydrophobicContact CG-CG 4.45Å; T1959-F1966 HydrophobicContact CG2-CD2 4.25Å; T1959-F1966 HydrophobicContact CG2-CE2 4.36Å; M1961-F1966 HydrophobicContact CB-CB 4.48Å; P1962-F1966 PolarHBondContact O-N 2.87Å; P1962-F1966 VanDerWaalsContact O-N 3.09Å; L1963-F1966 WeakPolarHBondContact O-CB 3.45Å; L1963-F1966 PolarHBondContact O-N 3.29Å; F1966-N1968 VanDerWaalsContact C-N 3.35Å; F1966-N1968 PolarHBondContact O-N 3.16Å; F1966-M1969 PolarHBondContact O-N 2.84Å; F1966-E1970 HydrophobicContact CD1-CG 4.11Å; F1966-E1970 HydrophobicContact CE1-CG 3.87Å; F1966-E1970 PolarHBondContact O-N 3.3Å
1967F91.7Very high88.5Confident42 Ų4238.7 Ų38.718%0.18420%0.2CC..Hα-helixtrans-58.7-41.5172.3-95.2-85.7000112.8E1947 T1950 L1963 F1964 D1965 N1971E1947-F1967 HydrophobicContact CB-CE1 4.13Å; E1947-F1967 HydrophobicContact CB-CZ 4.26Å; E1947-F1967 HydrophobicContact CG-CE1 4.24Å; T1950-F1967 WeakPolarHBondContact OG1-CE1 3.39Å; T1950-F1967 WeakPolarHBondContact OG1-CZ 3.44Å; L1963-F1967 HydrophobicContact CD1-CD2 4.04Å; L1963-F1967 HydrophobicContact CD1-CE2 3.81Å; L1963-F1967 HydrophobicContact CD2-CE2 4.48Å; L1963-F1967 HydrophobicContact CG-CD2 3.97Å; L1963-F1967 HydrophobicContact CG-CE2 3.96Å; L1963-F1967 WeakPolarHBondContact O-CD2 3.44Å; L1963-F1967 PolarHBondContact O-N 3.12Å; F1964-F1967 WeakPolarHBondContact O-CB 3.46Å; D1965-F1967 VanDerWaalsContact C-N 3.35Å; F1967-N1971 WeakPolarHBondContact O-CB 3.42Å; F1967-N1971 VanDerWaalsContact O-CG 3.26Å; F1967-N1971 PolarHBondContact O-N 3.24Å; F1967-N1971 PolarHBondContact O-ND2 3.22Å; F1967-N1971 VanDerWaalsContact O-ND2 3.16Å
1968N89.8Confident88.7Confident68 Ų6837.6 Ų37.636%0.36419%0.192SC..Hα-helixtrans-64.5-43176.1-70.7-34.9000112F1964 D1965 F1966 N1971 F1972F1964-N1968 VanDerWaalsContact O-CG 3.23Å; F1964-N1968 PolarHBondContact O-N 2.92Å; F1964-N1968 PolarHBondContact O-ND2 3Å; F1964-N1968 VanDerWaalsContact O-ND2 3.1Å; D1965-N1968 PolarHBondContact O-N 3.48Å; D1965-N1968 PolarHBondContact OD1-ND2 3.35Å; F1966-N1968 VanDerWaalsContact C-N 3.35Å; F1966-N1968 PolarHBondContact O-N 3.16Å; N1968-N1971 PolarHBondContact O-N 3.14Å; N1968-F1972 HydrophobicContact CB-CE2 4.26Å; N1968-F1972 WeakPolarHBondContact O-CD2 3.24Å; N1968-F1972 WeakPolarHBondContact O-CG 3.37Å; N1968-F1972 PolarHBondContact O-N 3.29Å
1969M88.6Confident88.8Confident0 Ų034.9 Ų34.90%018%0.178CC..Hα-helixtrans-58.9-49.9176.9-173.1-79.9-174.400111.7M1961 D1965 F1966 N1971 F1972 Y1973 I2361 Y2362 F2377M1961-M1969 HydrophobicContact SD-CB 4.46Å; D1965-M1969 WeakPolarHBondContact O-CB 3.33Å; D1965-M1969 PolarHBondContact O-N 3.42Å; F1966-M1969 PolarHBondContact O-N 2.84Å; M1969-N1971 PolarHBondContact O-N 3.01Å; M1969-F1972 PolarHBondContact O-N 3.18Å; M1969-Y1973 PolarHBondContact O-N 3.46Å; M1969-I2361 HydrophobicContact CE-CB 3.73Å; M1969-I2361 HydrophobicContact CE-CD1 4.44Å; M1969-I2361 HydrophobicContact CE-CG2 3.53Å; M1969-I2361 HydrophobicContact CG-CG2 4.47Å; M1969-Y2362 HydrophobicContact CE-CD1 3.86Å; M1969-Y2362 HydrophobicContact CE-CD2 4.16Å; M1969-Y2362 HydrophobicContact CE-CE1 3.58Å; M1969-Y2362 HydrophobicContact CE-CE2 3.9Å; M1969-Y2362 HydrophobicContact CE-CG 4.13Å; M1969-Y2362 HydrophobicContact SD-CE1 3.92Å; M1969-F2377 HydrophobicContact CB-CD2 4.18Å; M1969-F2377 HydrophobicContact CB-CE2 3.8Å; M1969-F2377 HydrophobicContact CG-CD2 4.31Å; M1969-F2377 HydrophobicContact CG-CE2 4.42Å
1970E88.7Confident88.8Confident8 Ų834.8 Ų34.84%0.03718%0.175CC..Hα-helixtrans-63.1-39.3177.5-72.5-81.1171.100111.9F1946 R1949 T1950 F1966 Y1973 A1974 Y2362F1946-E1970 HydrophobicContact CZ-CB 4.12Å; R1949-E1970 IonicContact NH2-OE2 3.55Å; T1950-E1970 HydrophobicContact CG2-CB 3.9Å; T1950-E1970 HydrophobicContact CG2-CG 3.81Å; F1966-E1970 HydrophobicContact CD1-CG 4.11Å; F1966-E1970 HydrophobicContact CE1-CG 3.87Å; F1966-E1970 PolarHBondContact O-N 3.3Å; E1970-Y1973 PolarHBondContact O-N 3.01Å; E1970-A1974 VanDerWaalsContact O-CB 3.28Å; E1970-A1974 WeakPolarHBondContact O-CB 3.37Å; E1970-A1974 PolarHBondContact O-N 3.35Å; E1970-Y2362 PolarHBondContact OE1-OH 2.67Å; E1970-Y2362 PolarHBondContact OE2-OH 3.47Å
1971N89Confident88.9Confident77 Ų7733.1 Ų33.141%0.41216%0.163SC..Hα-helixtrans-62.8-42174.3-80-31.3000112.6F1946 F1967 N1968 M1969 A1974 H1975F1946-N1971 VanDerWaalsContact CE1-OD1 3.27Å; F1946-N1971 WeakPolarHBondContact CE1-OD1 3.26Å; F1946-N1971 WeakPolarHBondContact CZ-OD1 3.16Å; F1967-N1971 WeakPolarHBondContact O-CB 3.42Å; F1967-N1971 VanDerWaalsContact O-CG 3.26Å; F1967-N1971 PolarHBondContact O-N 3.24Å; F1967-N1971 PolarHBondContact O-ND2 3.22Å; F1967-N1971 VanDerWaalsContact O-ND2 3.16Å; N1968-N1971 PolarHBondContact O-N 3.14Å; M1969-N1971 PolarHBondContact O-N 3.01Å; N1971-A1974 PolarHBondContact O-N 3.13Å; N1971-H1975 PolarHBondContact O-N 3.49Å
1972F89.2Confident89Confident53 Ų5334.5 Ų34.523%0.23218%0.175CC..Hα-helixtrans-64.1-48.5175.3-66.7-46.6000111.4N1968 M1969 A1974 H1975 I1976 L2380 F2384N1968-F1972 HydrophobicContact CB-CE2 4.26Å; N1968-F1972 WeakPolarHBondContact O-CD2 3.24Å; N1968-F1972 WeakPolarHBondContact O-CG 3.37Å; N1968-F1972 PolarHBondContact O-N 3.29Å; M1969-F1972 PolarHBondContact O-N 3.18Å; F1972-A1974 VanDerWaalsContact C-N 3.3Å; F1972-A1974 PolarHBondContact O-N 3.16Å; F1972-H1975 PolarHBondContact O-N 2.88Å; F1972-H1975 VanDerWaalsContact O-N 3.13Å; F1972-I1976 HydrophobicContact CB-CD1 4.47Å; F1972-I1976 WeakPolarHBondContact O-CD1 3.41Å; F1972-I1976 VanDerWaalsContact O-CG1 3.26Å; F1972-I1976 WeakPolarHBondContact O-CG1 3.3Å; F1972-I1976 PolarHBondContact O-N 2.91Å; F1972-L2380 HydrophobicContact CB-CD2 4.42Å; F1972-L2380 HydrophobicContact CD2-CD2 4.14Å; F1972-F2384 HydrophobicContact CB-CE2 3.86Å; F1972-F2384 HydrophobicContact CB-CZ 4.31Å; F1972-F2384 AromaticContact CD1-CD2 3.76Å; F1972-F2384 HydrophobicContact CD1-CD2 3.76Å; F1972-F2384 HydrophobicContact CD1-CE1 4.4Å; F1972-F2384 AromaticContact CD1-CE2 3.57Å; F1972-F2384 HydrophobicContact CD1-CE2 3.57Å; F1972-F2384 HydrophobicContact CD1-CG 4.26Å; F1972-F2384 AromaticContact CD1-CZ 3.91Å; F1972-F2384 HydrophobicContact CD1-CZ 3.91Å; F1972-F2384 HydrophobicContact CD2-CD2 4.23Å; F1972-F2384 HydrophobicContact CD2-CE2 4.21Å; F1972-F2384 HydrophobicContact CE1-CB 4.46Å; F1972-F2384 HydrophobicContact CE1-CD1 4.49Å; F1972-F2384 AromaticContact CE1-CD2 3.83Å; F1972-F2384 HydrophobicContact CE1-CD2 3.83Å; F1972-F2384 HydrophobicContact CE1-CE2 4.13Å; F1972-F2384 HydrophobicContact CE1-CG 4.02Å; F1972-F2384 HydrophobicContact CE2-CD2 4.29Å; F1972-F2384 AromaticContact CG-CD2 3.99Å; F1972-F2384 HydrophobicContact CG-CD2 3.99Å; F1972-F2384 AromaticContact CG-CE2 3.63Å; F1972-F2384 HydrophobicContact CG-CE2 3.63Å; F1972-F2384 HydrophobicContact CG-CZ 4.27Å; F1972-F2384 HydrophobicContact CZ-CD2 4.1Å; F1972-F2384 HydrophobicContact CZ-CG 4.44Å
1973Y89.4Confident88.9Confident16 Ų1634.8 Ų34.86%0.06317%0.169CC..Hα-helixtrans-56.3-45.3176.5175.4-108.4000111.6T1925 M1969 E1970 H1975 I1976 F1977 L2355 C2358 L2359 Y2362T1925-Y1973 VanDerWaalsContact CB-OH 3.32Å; T1925-Y1973 WeakPolarHBondContact CB-OH 3.41Å; T1925-Y1973 HydrophobicContact CG2-CE1 4.17Å; T1925-Y1973 PolarHBondContact OG1-OH 3.48Å; M1969-Y1973 PolarHBondContact O-N 3.46Å; E1970-Y1973 PolarHBondContact O-N 3.01Å; Y1973-H1975 VanDerWaalsContact C-N 3.35Å; Y1973-H1975 PolarHBondContact O-N 3.27Å; Y1973-I1976 PolarHBondContact O-N 3.1Å; Y1973-F1977 VanDerWaalsContact O-CB 3.24Å; Y1973-F1977 WeakPolarHBondContact O-CB 3.17Å; Y1973-F1977 PolarHBondContact O-N 2.93Å; Y1973-L2355 HydrophobicContact CD2-CD1 3.95Å; Y1973-L2355 HydrophobicContact CE2-CD1 3.58Å; Y1973-C2358 HydrophobicContact CD2-CB 3.69Å; Y1973-C2358 HydrophobicContact CG-CB 4.46Å; Y1973-L2359 HydrophobicContact CE2-CD2 4.43Å; Y1973-Y2362 HydrophobicContact CD1-CE2 4.22Å; Y1973-Y2362 WeakPolarHBondContact CD1-OH 3.4Å; Y1973-Y2362 AromaticContact CD2-CE2 3.97Å; Y1973-Y2362 HydrophobicContact CD2-CE2 3.97Å; Y1973-Y2362 HydrophobicContact CE1-CE2 4.33Å; Y1973-Y2362 HydrophobicContact CE2-CE2 4.06Å; Y1973-Y2362 HydrophobicContact CG-CE2 4.05Å
1974A87.7Confident88.6Confident4 Ų436.5 Ų36.53%0.03318%0.176CC..Hα-helixtrans-60.7-39.9176.700000113F1936 M1940 E1970 N1971 F1972 N1978F1936-A1974 HydrophobicContact CE1-CB 3.82Å; F1936-A1974 HydrophobicContact CZ-CB 3.68Å; M1940-A1974 HydrophobicContact SD-CB 3.77Å; E1970-A1974 VanDerWaalsContact O-CB 3.28Å; E1970-A1974 WeakPolarHBondContact O-CB 3.37Å; E1970-A1974 PolarHBondContact O-N 3.35Å; N1971-A1974 PolarHBondContact O-N 3.13Å; F1972-A1974 VanDerWaalsContact C-N 3.3Å; F1972-A1974 PolarHBondContact O-N 3.16Å; A1974-N1978 PolarHBondContact O-N 2.93Å; A1974-N1978 PolarHBondContact O-ND2 3.41Å
1975H87.2Confident88.3Confident71 Ų7132.2 Ų32.233%0.32916%0.157SC..Hα-helixtrans-69.4-46.9177-164.1-83.7000111.9N1971 F1972 Y1973 F1977 N1978 I1979 F2345N1971-H1975 PolarHBondContact O-N 3.49Å; F1972-H1975 PolarHBondContact O-N 2.88Å; F1972-H1975 VanDerWaalsContact O-N 3.13Å; Y1973-H1975 VanDerWaalsContact C-N 3.35Å; Y1973-H1975 PolarHBondContact O-N 3.27Å; H1975-F1977 PolarHBondContact O-N 3.26Å; H1975-N1978 PolarHBondContact O-N 3.18Å; H1975-I1979 WeakPolarHBondContact O-CG1 3.35Å; H1975-I1979 PolarHBondContact O-N 3.41Å; H1975-F2345 PolarHBondContact CE1-O 3.43Å
1976I89.2Confident87.9Confident1 Ų136.7 Ų36.71%0.00518%0.177CC..Hα-helixtrans-60.3-45.4178.1-65.6158.2000110.9F1972 Y1973 N1978 I1979 K1980 A2351 L2354 L2355 C2358 F2384F1972-I1976 HydrophobicContact CB-CD1 4.47Å; F1972-I1976 WeakPolarHBondContact O-CD1 3.41Å; F1972-I1976 VanDerWaalsContact O-CG1 3.26Å; F1972-I1976 WeakPolarHBondContact O-CG1 3.3Å; F1972-I1976 PolarHBondContact O-N 2.91Å; Y1973-I1976 PolarHBondContact O-N 3.1Å; I1976-N1978 VanDerWaalsContact C-N 3.32Å; I1976-N1978 PolarHBondContact O-N 2.99Å; I1976-I1979 PolarHBondContact O-N 2.91Å; I1976-I1979 VanDerWaalsContact O-N 3.12Å; I1976-K1980 PolarHBondContact O-N 3.45Å; I1976-A2351 HydrophobicContact CG2-CB 4.35Å; I1976-L2354 HydrophobicContact CD1-CB 3.73Å; I1976-L2354 HydrophobicContact CG1-CB 3.99Å; I1976-L2354 HydrophobicContact CG1-CD1 4.14Å; I1976-L2354 HydrophobicContact CG2-CB 3.94Å; I1976-L2355 HydrophobicContact CG2-CB 3.81Å; I1976-L2355 HydrophobicContact CG2-CD1 4.15Å; I1976-C2358 VanDerWaalsContact CD1-SG 3.54Å; I1976-F2384 HydrophobicContact CD1-CE2 4.3Å; I1976-F2384 HydrophobicContact CD1-CZ 3.97Å; I1976-F2384 HydrophobicContact CG1-CZ 4.21Å
1977F88.4Confident87.2Confident0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-57.6-42.9177.9175.2-98.7000112.5L1924 T1925 Y1928 N1932 F1936 Y1973 H1975 I1979 K1980 C1981L1924-F1977 WeakPolarHBondContact O-CZ 3.45Å; T1925-F1977 VanDerWaalsContact CA-CE2 3.41Å; T1925-F1977 HydrophobicContact CG2-CD1 3.99Å; T1925-F1977 HydrophobicContact CG2-CD2 3.94Å; T1925-F1977 HydrophobicContact CG2-CE1 3.93Å; T1925-F1977 HydrophobicContact CG2-CE2 3.9Å; T1925-F1977 HydrophobicContact CG2-CG 4Å; T1925-F1977 HydrophobicContact CG2-CZ 3.89Å; Y1928-F1977 AromaticContact CD1-CD2 3.9Å; Y1928-F1977 HydrophobicContact CD1-CD2 3.9Å; Y1928-F1977 AromaticContact CD1-CE2 3.55Å; Y1928-F1977 HydrophobicContact CD1-CE2 3.55Å; Y1928-F1977 AromaticContact CE1-CD2 3.78Å; Y1928-F1977 HydrophobicContact CE1-CD2 3.78Å; Y1928-F1977 AromaticContact CE1-CE2 3.7Å; Y1928-F1977 HydrophobicContact CE1-CE2 3.7Å; N1932-F1977 HydrophobicContact CB-CZ 4.49Å; F1936-F1977 HydrophobicContact CB-CD1 4.46Å; F1936-F1977 HydrophobicContact CB-CE1 3.89Å; F1936-F1977 AromaticContact CD1-CD1 3.53Å; F1936-F1977 HydrophobicContact CD1-CD1 3.53Å; F1936-F1977 AromaticContact CD1-CE1 3.84Å; F1936-F1977 HydrophobicContact CD1-CE1 3.84Å; F1936-F1977 HydrophobicContact CD2-CE1 4.45Å; F1936-F1977 AromaticContact CE1-CD1 3.81Å; F1936-F1977 HydrophobicContact CE1-CD1 3.81Å; F1936-F1977 AromaticContact CG-CD1 3.92Å; F1936-F1977 HydrophobicContact CG-CD1 3.92Å; F1936-F1977 AromaticContact CG-CE1 3.8Å; F1936-F1977 HydrophobicContact CG-CE1 3.8Å; F1936-F1977 HydrophobicContact CZ-CD1 4.43Å; Y1973-F1977 VanDerWaalsContact O-CB 3.24Å; Y1973-F1977 WeakPolarHBondContact O-CB 3.17Å; Y1973-F1977 PolarHBondContact O-N 2.93Å; H1975-F1977 PolarHBondContact O-N 3.26Å; F1977-I1979 VanDerWaalsContact C-N 3.32Å; F1977-I1979 PolarHBondContact O-N 3.36Å; F1977-K1980 PolarHBondContact O-N 3.48Å; F1977-C1981 VanDerWaalsContact CE1-SG 3.55Å; F1977-C1981 WeakPolarHBondContact CZ-SG 3.39Å; F1977-C1981 PolarHBondContact O-N 2.82Å; F1977-C1981 PolarHBondContact O-SG 3.18Å
1978N88.5Confident86.3Confident21 Ų2139.1 Ų39.111%0.11221%0.205CC..Hα-helixtrans-62.9-37.1176.9-83.8-71.7000112.5K1937 M1940 A1974 H1975 I1976 A1982K1937-N1978 WeakPolarHBondContact CE-OD1 3.34Å; K1937-N1978 WeakPolarHBondContact CG-OD1 3.48Å; M1940-N1978 WeakPolarHBondContact CE-ND2 3.01Å; A1974-N1978 PolarHBondContact O-N 2.93Å; A1974-N1978 PolarHBondContact O-ND2 3.41Å; H1975-N1978 PolarHBondContact O-N 3.18Å; I1976-N1978 VanDerWaalsContact C-N 3.32Å; I1976-N1978 PolarHBondContact O-N 2.99Å; N1978-A1982 PolarHBondContact O-N 2.79Å
1979I89Confident85.8Confident11 Ų1138.9 Ų38.96%0.05620%0.2CC..Hα-helixtrans-68.4-45.8175.9-61.4164.4000110.3H1975 I1976 F1977 C1981 A1982 R1983 F2345 L2348 A2351H1975-I1979 WeakPolarHBondContact O-CG1 3.35Å; H1975-I1979 PolarHBondContact O-N 3.41Å; I1976-I1979 PolarHBondContact O-N 2.91Å; I1976-I1979 VanDerWaalsContact O-N 3.12Å; F1977-I1979 VanDerWaalsContact C-N 3.32Å; F1977-I1979 PolarHBondContact O-N 3.36Å; I1979-C1981 VanDerWaalsContact C-N 3.29Å; I1979-C1981 PolarHBondContact O-N 3.33Å; I1979-A1982 WeakPolarHBondContact O-CB 3.43Å; I1979-A1982 PolarHBondContact O-N 3.1Å; I1979-R1983 HydrophobicContact CG2-CG 4.3Å; I1979-R1983 WeakPolarHBondContact O-CG 3.28Å; I1979-R1983 PolarHBondContact O-N 2.87Å; I1979-F2345 WeakPolarHBondContact CD1-O 3.34Å; I1979-L2348 HydrophobicContact CD1-CD1 4.05Å; I1979-L2348 HydrophobicContact CG2-CB 4.46Å; I1979-A2351 HydrophobicContact CB-CB 4.34Å; I1979-A2351 HydrophobicContact CG2-CB 3.96Å
1980K88.3Confident85.1Confident30 Ų3040.2 Ų40.213%0.1321%0.208CC..Hα-helixtrans-56.1-44.7176.317954.1163.9-174.90111.6Y1928 I1976 F1977 A1982 R1983 Q1984 D2352 L2355Y1928-K1980 HydrophobicContact CD1-CB 4.23Å; Y1928-K1980 HydrophobicContact CD1-CG 3.48Å; Y1928-K1980 VanDerWaalsContact CD1-CG 3.48Å; Y1928-K1980 HydrophobicContact CD2-CG 4.12Å; Y1928-K1980 HydrophobicContact CE1-CG 3.89Å; Y1928-K1980 HydrophobicContact CE2-CG 4.46Å; Y1928-K1980 HydrophobicContact CG-CG 3.63Å; I1976-K1980 PolarHBondContact O-N 3.45Å; F1977-K1980 PolarHBondContact O-N 3.48Å; K1980-A1982 PolarHBondContact O-N 3.46Å; K1980-R1983 PolarHBondContact O-N 2.75Å; K1980-Q1984 WeakPolarHBondContact O-CB 3.49Å; K1980-Q1984 PolarHBondContact O-N 2.87Å; K1980-D2352 WeakPolarHBondContact CD-OD1 3.4Å; K1980-D2352 WeakPolarHBondContact CE-OD1 3.41Å; K1980-D2352 IonicContact NZ-OD1 3.83Å; K1980-D2352 PolarHBondContact NZ-OD1 3.49Å; K1980-D2352 IonicContact NZ-OD2 3.61Å; K1980-D2352 PolarHBondContact NZ-OD2 2.91Å; K1980-L2355 HydrophobicContact CB-CD2 4.39Å; K1980-L2355 HydrophobicContact CG-CD2 4.09Å
1981C89Confident84.4Confident0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-63.9-37.5174.8-63.30000113.2M1933 F1977 I1979 F1985M1933-C1981 HydrophobicContact CB-CB 3.73Å; M1933-C1981 HydrophobicContact CG-CB 4.05Å; M1933-C1981 HydrophobicContact SD-CB 4.22Å; F1977-C1981 VanDerWaalsContact CE1-SG 3.55Å; F1977-C1981 WeakPolarHBondContact CZ-SG 3.39Å; F1977-C1981 PolarHBondContact O-N 2.82Å; F1977-C1981 PolarHBondContact O-SG 3.18Å; I1979-C1981 VanDerWaalsContact C-N 3.29Å; I1979-C1981 PolarHBondContact O-N 3.33Å; C1981-F1985 WeakPolarHBondContact O-CB 3.49Å; C1981-F1985 PolarHBondContact O-N 3.2Å
1982A86.8Confident83.5Confident34 Ų3441.6 Ų41.628%0.28123%0.229SC..Hα-helixtrans-65.3-44.7176.700000111.8N1978 I1979 K1980 F1985 E1986N1978-A1982 PolarHBondContact O-N 2.79Å; I1979-A1982 WeakPolarHBondContact O-CB 3.43Å; I1979-A1982 PolarHBondContact O-N 3.1Å; K1980-A1982 PolarHBondContact O-N 3.46Å; A1982-F1985 WeakPolarHBondContact O-CB 3.44Å; A1982-F1985 PolarHBondContact O-N 2.97Å; A1982-E1986 WeakPolarHBondContact O-CG 3.33Å; A1982-E1986 PolarHBondContact O-N 3.46Å
1983R87.4Confident82.7Confident61 Ų6151.1 Ų51.123%0.2326%0.263CS..Hα-helixtrans-66.9-37.3176.1-59.7-54.2177.1-152.5-4.4112.2I1979 K1980 F1985 E1986 A1987 E2347 L2348I1979-R1983 HydrophobicContact CG2-CG 4.3Å; I1979-R1983 WeakPolarHBondContact O-CG 3.28Å; I1979-R1983 PolarHBondContact O-N 2.87Å; K1980-R1983 PolarHBondContact O-N 2.75Å; R1983-F1985 VanDerWaalsContact C-N 3.34Å; R1983-F1985 PolarHBondContact O-N 2.95Å; R1983-E1986 WeakPolarHBondContact CD-OE2 3.49Å; R1983-E1986 IonicContact CZ-OE2 3.64Å; R1983-E1986 IonicContact NE-OE2 2.77Å; R1983-E1986 IonicContact NH1-OE1 3.6Å; R1983-E1986 PolarHBondContact NH1-OE1 3.37Å; R1983-E1986 IonicContact NH1-OE2 2.74Å; R1983-E1986 PolarHBondContact NH1-OE2 2.85Å; R1983-E1986 PolarHBondContact O-N 2.95Å; R1983-A1987 PolarHBondContact O-N 2.97Å; R1983-E2347 IonicContact CZ-OE2 2.63Å; R1983-E2347 IonicContact NH2-OE2 3.42Å; R1983-E2347 PolarHBondContact NH2-OE2 3.49Å; R1983-L2348 PolarHBondContact NE-O 2.81Å; R1983-L2348 PolarHBondContact NH2-O 3.19Å
1984Q82.7Confident81.8Confident90 Ų9054.2 Ų54.242%0.42130%0.3SS..Hα-helixtrans-65.9-35.7173.5-167.367.123.300112.3Y1928 K1980 A1987 A1988Y1928-Q1984 VanDerWaalsContact O-CB 3.31Å; Y1928-Q1984 WeakPolarHBondContact O-CB 3.44Å; Y1928-Q1984 WeakPolarHBondContact O-CG 3.38Å; K1980-Q1984 WeakPolarHBondContact O-CB 3.49Å; K1980-Q1984 PolarHBondContact O-N 2.87Å; Q1984-A1987 PolarHBondContact O-N 3.45Å; Q1984-A1988 WeakPolarHBondContact O-CB 3.38Å; Q1984-A1988 PolarHBondContact O-N 3.16Å
1985F83.1Confident80.9Confident76 Ų7658.2 Ų58.233%0.33332%0.32SS..Hα-helixtrans-66-41.7172.6170.8-95.7000112.1M1930 C1981 A1982 R1983 A1987 A1988 Y1989M1930-F1985 HydrophobicContact CB-CD2 4.12Å; M1930-F1985 HydrophobicContact CG-CD2 4.32Å; M1930-F1985 HydrophobicContact SD-CD2 4.05Å; M1930-F1985 HydrophobicContact SD-CE2 3.71Å; C1981-F1985 WeakPolarHBondContact O-CB 3.49Å; C1981-F1985 PolarHBondContact O-N 3.2Å; A1982-F1985 WeakPolarHBondContact O-CB 3.44Å; A1982-F1985 PolarHBondContact O-N 2.97Å; R1983-F1985 VanDerWaalsContact C-N 3.34Å; R1983-F1985 PolarHBondContact O-N 2.95Å; F1985-A1987 VanDerWaalsContact C-N 3.29Å; F1985-A1987 PolarHBondContact O-N 2.96Å; F1985-A1988 PolarHBondContact O-N 3.31Å; F1985-Y1989 AromaticContact CD2-CD2 3.45Å; F1985-Y1989 HydrophobicContact CD2-CD2 3.45Å; F1985-Y1989 VanDerWaalsContact CD2-CD2 3.45Å; F1985-Y1989 AromaticContact CD2-CE2 3.76Å; F1985-Y1989 HydrophobicContact CD2-CE2 3.76Å; F1985-Y1989 AromaticContact CE2-CD2 3.37Å; F1985-Y1989 HydrophobicContact CE2-CD2 3.37Å; F1985-Y1989 AromaticContact CE2-CE2 3.72Å; F1985-Y1989 HydrophobicContact CE2-CE2 3.72Å; F1985-Y1989 HydrophobicContact CE2-CG 4.12Å; F1985-Y1989 HydrophobicContact CG-CD2 4.31Å; F1985-Y1989 HydrophobicContact CZ-CD2 4.16Å; F1985-Y1989 PolarHBondContact O-N 2.97Å
1986E81.7Confident80.1Confident105 Ų10559.9 Ų59.949%0.49134%0.337SS..Hα-helixtrans-61.6-36.3174.5-72173.4163.800112.3A1982 R1983A1982-E1986 WeakPolarHBondContact O-CG 3.33Å; A1982-E1986 PolarHBondContact O-N 3.46Å; R1983-E1986 WeakPolarHBondContact CD-OE2 3.49Å; R1983-E1986 IonicContact CZ-OE2 3.64Å; R1983-E1986 IonicContact NE-OE2 2.77Å; R1983-E1986 IonicContact NH1-OE1 3.6Å; R1983-E1986 PolarHBondContact NH1-OE1 3.37Å; R1983-E1986 IonicContact NH1-OE2 2.74Å; R1983-E1986 PolarHBondContact NH1-OE2 2.85Å; R1983-E1986 PolarHBondContact O-N 2.95Å
1987A76.8Confident79.4Confident55 Ų5567.7 Ų67.746%0.45537%0.371SS..Hα-helixtrans-69.4-44.6173.400000112.8R1983 Q1984 F1985 Y1989R1983-A1987 PolarHBondContact O-N 2.97Å; Q1984-A1987 PolarHBondContact O-N 3.45Å; F1985-A1987 VanDerWaalsContact C-N 3.29Å; F1985-A1987 PolarHBondContact O-N 2.96Å; A1987-Y1989 VanDerWaalsContact C-N 3.33Å; A1987-Y1989 PolarHBondContact O-N 3.33Å
1988A72.8Confident78.5Confident40 Ų4068.6 Ų68.633%0.33138%0.38SS..Hα-helixtrans-72.2-21.7-177.400000114.5Q1984 F1985Q1984-A1988 WeakPolarHBondContact O-CB 3.38Å; Q1984-A1988 PolarHBondContact O-N 3.16Å; F1985-A1988 PolarHBondContact O-N 3.31Å
1989Y77.6Confident78Confident64 Ų6474.4 Ų74.425%0.25140%0.404SS..SBendtrans-127.968.5179.9-62.9-82.1000111.3Q1400 Y1403 F1985 A1987 A1991Q1400-Y1989 HydrophobicContact CG-CE1 4.26Å; Y1403-Y1989 HydrophobicContact CD1-CD1 4.1Å; Y1403-Y1989 HydrophobicContact CD2-CD1 4.18Å; Y1403-Y1989 AromaticContact CG-CD1 3.86Å; Y1403-Y1989 HydrophobicContact CG-CD1 3.86Å; Y1403-Y1989 PolarHBondContact OH-O 2.74Å; F1985-Y1989 AromaticContact CD2-CD2 3.45Å; F1985-Y1989 HydrophobicContact CD2-CD2 3.45Å; F1985-Y1989 VanDerWaalsContact CD2-CD2 3.45Å; F1985-Y1989 AromaticContact CD2-CE2 3.76Å; F1985-Y1989 HydrophobicContact CD2-CE2 3.76Å; F1985-Y1989 AromaticContact CE2-CD2 3.37Å; F1985-Y1989 HydrophobicContact CE2-CD2 3.37Å; F1985-Y1989 AromaticContact CE2-CE2 3.72Å; F1985-Y1989 HydrophobicContact CE2-CE2 3.72Å; F1985-Y1989 HydrophobicContact CE2-CG 4.12Å; F1985-Y1989 HydrophobicContact CG-CD2 4.31Å; F1985-Y1989 HydrophobicContact CZ-CD2 4.16Å; F1985-Y1989 PolarHBondContact O-N 2.97Å; A1987-Y1989 VanDerWaalsContact C-N 3.33Å; A1987-Y1989 PolarHBondContact O-N 3.33Å; Y1989-A1991 PolarHBondContact O-N 3.4Å
1990P75.1Confident77.2Confident27 Ų2777.4 Ų77.418%0.17542%0.42CS..PPolyproline II helixtrans-62.6132.7-173.925.7-34.5000111.7A1432 L1433A1432-P1990 HydrophobicContact CB-CG 4.19Å; L1433-P1990 HydrophobicContact CD1-CB 4.26Å; L1433-P1990 HydrophobicContact CD1-CG 4.47Å
1991A72.5Confident76.4Confident77 Ų7779.3 Ų79.364%0.63643%0.434SS*.PPolyproline II helixtrans-99.3128.4175.500000110.7Y1989 R1993Y1989-A1991 PolarHBondContact O-N 3.4Å; A1991-R1993 PolarHBondContact O-N 3.1Å
1992P70.5Confident76Confident38 Ų3885.3 Ų85.325%0.24746%0.46CS..PPolyproline II helixtrans-67.6132.7-178.727.2-35.4000111.7V1436 I1995V1436-P1992 HydrophobicContact CG1-CG 3.91Å; P1992-I1995 HydrophobicContact CB-CD1 3.81Å; P1992-I1995 HydrophobicContact CB-CG1 4.14Å; P1992-I1995 HydrophobicContact CG-CB 4.17Å; P1992-I1995 HydrophobicContact CG-CD1 3.65Å; P1992-I1995 HydrophobicContact CG-CG1 4.06Å
1993R73.3Confident75.7Confident252 Ų25291.7 Ų91.795%0.95148%0.478SS*.THydrogen-bonded Turntrans-65.7133.4-179-173.6177.9179.4-177.3-0.5111A1991A1991-R1993 PolarHBondContact O-N 3.1Å
1994G70.3Confident75.1Confident81 Ų8195 Ų9584%0.83550%0.498SS*.THydrogen-bonded Turntrans87.5-4.6173.900000115.8
1995I68.5Low74.8Confident89 Ų8997.6 Ų97.646%0.45651%0.512SS..PPolyproline II helixtrans-90.1135.4179-56-164.3000110.4P1992P1992-I1995 HydrophobicContact CB-CD1 3.81Å; P1992-I1995 HydrophobicContact CB-CG1 4.14Å; P1992-I1995 HydrophobicContact CG-CB 4.17Å; P1992-I1995 HydrophobicContact CG-CD1 3.65Å; P1992-I1995 HydrophobicContact CG-CG1 4.06Å
1996P71.5Confident74.7Confident106 Ų10695.4 Ų95.469%0.68851%0.511SS*.PPolyproline II helixtrans-66.3135.7175.527.3-35000111.4G1998P1996-G1998 PolarHBondContact O-N 3.03Å
1997K72.6Confident74.7Confident165 Ų16596.5 Ų96.572%0.71751%0.514SS*.PPolyproline II helixtrans-52.7125.7172.7-72.2-166.9177.1-1730110.6K2002K1997-K2002 VanDerWaalsContact O-CE 3.26Å; K1997-K2002 WeakPolarHBondContact O-CE 3.32Å
1998G69.9Low74.8Confident18 Ų1897.3 Ų97.319%0.18652%0.515CS..PPolyproline II helixtrans-51.8148.7-176.600000113.4P1996 L2000 V2001P1996-G1998 PolarHBondContact O-N 3.03Å; G1998-L2000 VanDerWaalsContact C-N 3.29Å; G1998-L2000 PolarHBondContact O-N 3.25Å; G1998-V2001 PolarHBondContact O-N 2.92Å
1999K78.5Confident75.1Confident143 Ų143100.6 Ų100.662%0.62253%0.526SS*.Hα-helixtrans-63.3-38.4-169.6-67.3169.2-173.1159.60111.6D1409 V2001 K2002 Y2003D1409-K1999 PolarHBondContact OD1-N 2.74Å; K1999-V2001 PolarHBondContact O-N 3.34Å; K1999-K2002 PolarHBondContact O-N 3.33Å; K1999-Y2003 HydrophobicContact CB-CE2 4.4Å; K1999-Y2003 WeakPolarHBondContact O-CD2 3.36Å; K1999-Y2003 PolarHBondContact O-N 3Å
2000L71.4Confident75.4Confident75 Ų75102.7 Ų102.739%0.39354%0.54SS..Hα-helixtrans-61.2-42.4-178.6-171.7145.9000112.4L1410 G1998 K2002 Y2003 M2004L1410-L2000 HydrophobicContact CD1-CD1 4.05Å; G1998-L2000 VanDerWaalsContact C-N 3.29Å; G1998-L2000 PolarHBondContact O-N 3.25Å; L2000-K2002 VanDerWaalsContact C-N 3.32Å; L2000-K2002 PolarHBondContact O-N 3.36Å; L2000-Y2003 PolarHBondContact O-N 3.48Å; L2000-M2004 HydrophobicContact CD2-CG 3.77Å; L2000-M2004 HydrophobicContact CG-CG 4.24Å; L2000-M2004 WeakPolarHBondContact O-CB 3.2Å; L2000-M2004 VanDerWaalsContact O-CG 3.31Å; L2000-M2004 WeakPolarHBondContact O-CG 3.5Å; L2000-M2004 PolarHBondContact O-N 3.26Å
2001V73.1Confident75.9Confident69 Ų69104.7 Ų104.742%0.41855%0.549SS..Hα-helixtrans-62.4-39.4178.71800000111.3G1998 K1999 M2005G1998-V2001 PolarHBondContact O-N 2.92Å; K1999-V2001 PolarHBondContact O-N 3.34Å; V2001-M2005 WeakPolarHBondContact O-CB 3.47Å; V2001-M2005 PolarHBondContact O-N 3.18Å
2002K79Confident76.1Confident126 Ų126103 Ų10355%0.54854%0.538SS..Hα-helixtrans-63.9-44.6177.5-65.2179.3179.5172.90112K1997 K1999 L2000 G2006K1997-K2002 VanDerWaalsContact O-CE 3.26Å; K1997-K2002 WeakPolarHBondContact O-CE 3.32Å; K1999-K2002 PolarHBondContact O-N 3.33Å; L2000-K2002 VanDerWaalsContact C-N 3.32Å; L2000-K2002 PolarHBondContact O-N 3.36Å; K2002-G2006 PolarHBondContact O-N 2.66Å
2003Y80.7Confident76.6Confident168 Ų168104.5 Ų104.566%0.65955%0.547SS*.Hα-helixtrans-68.8-45.8177.5-69.5-63.3000112K1999 L2000 M2005 G2006 F2007K1999-Y2003 HydrophobicContact CB-CE2 4.4Å; K1999-Y2003 WeakPolarHBondContact O-CD2 3.36Å; K1999-Y2003 PolarHBondContact O-N 3Å; L2000-Y2003 PolarHBondContact O-N 3.48Å; Y2003-M2005 VanDerWaalsContact C-N 3.3Å; Y2003-M2005 PolarHBondContact O-N 2.96Å; Y2003-G2006 PolarHBondContact O-N 2.66Å; Y2003-F2007 WeakPolarHBondContact O-CB 3.43Å; Y2003-F2007 PolarHBondContact O-N 3.5Å
2004M75.2Confident77.1Confident132 Ų13295.9 Ų95.965%0.6552%0.522SS*.Hα-helixtrans-64.2-31.1-179.3-71-62-68.500113.4L2000 P2008L2000-M2004 HydrophobicContact CD2-CG 3.77Å; L2000-M2004 HydrophobicContact CG-CG 4.24Å; L2000-M2004 WeakPolarHBondContact O-CB 3.2Å; L2000-M2004 VanDerWaalsContact O-CG 3.31Å; L2000-M2004 WeakPolarHBondContact O-CG 3.5Å; L2000-M2004 PolarHBondContact O-N 3.26Å; M2004-P2008 WeakPolarHBondContact O-CD 3.38Å; M2004-P2008 VanDerWaalsContact O-CG 3.26Å; M2004-P2008 WeakPolarHBondContact O-CG 3.33Å
2005M77.7Confident77.5Confident143 Ų14397 Ų9770%0.70451%0.508SS*.Hα-helixtrans-85.2-44.4175.8-170.2178.2-179.300112.6V2001 Y2003 I2009V2001-M2005 WeakPolarHBondContact O-CB 3.47Å; V2001-M2005 PolarHBondContact O-N 3.18Å; Y2003-M2005 VanDerWaalsContact C-N 3.3Å; Y2003-M2005 PolarHBondContact O-N 2.96Å; M2005-I2009 VanDerWaalsContact O-CD1 3.31Å; M2005-I2009 WeakPolarHBondContact O-CD1 3.48Å; M2005-I2009 WeakPolarHBondContact O-CG1 3.25Å
2006G79.5Confident77.9Confident31 Ų3197 Ų9732%0.3251%0.505SS..Hα-helixtrans-81.6-40.2-172.600000114.9K2002 Y2003 I2009 I2010K2002-G2006 PolarHBondContact O-N 2.66Å; Y2003-G2006 PolarHBondContact O-N 2.66Å; G2006-I2009 PolarHBondContact O-N 3.21Å; G2006-I2010 WeakPolarHBondContact O-CG1 3.26Å; G2006-I2010 PolarHBondContact O-N 3.2Å
2007F82.9Confident78.3Confident128 Ų12895.2 Ų95.256%0.56149%0.489SS*.Hα-helixtrans-68-41.7-172.7-173.8-112.6000113.6Y2003 I2009 I2010 I2011Y2003-F2007 WeakPolarHBondContact O-CB 3.43Å; Y2003-F2007 PolarHBondContact O-N 3.5Å; F2007-I2009 VanDerWaalsContact C-N 3.34Å; F2007-I2009 PolarHBondContact O-N 3.38Å; F2007-I2010 PolarHBondContact O-N 2.73Å; F2007-I2011 HydrophobicContact CD1-CD1 3.84Å; F2007-I2011 HydrophobicContact CE1-CD1 3.32Å; F2007-I2011 HydrophobicContact CE1-CG1 4.36Å; F2007-I2011 HydrophobicContact CE2-CD1 4.12Å; F2007-I2011 HydrophobicContact CE2-CG1 4.46Å; F2007-I2011 HydrophobicContact CG-CD1 4.45Å; F2007-I2011 HydrophobicContact CZ-CD1 3.49Å; F2007-I2011 VanDerWaalsContact CZ-CD1 3.49Å; F2007-I2011 HydrophobicContact CZ-CG1 4.29Å; F2007-I2011 PolarHBondContact O-N 2.88Å
2008P79.2Confident78.8Confident72 Ų7292.9 Ų92.947%0.46848%0.479SS..Hα-helixtrans-65.2-35.1176.7-23.736.7000113.3M2004 I2011 G2012M2004-P2008 WeakPolarHBondContact O-CD 3.38Å; M2004-P2008 VanDerWaalsContact O-CG 3.26Å; M2004-P2008 WeakPolarHBondContact O-CG 3.33Å; P2008-I2011 PolarHBondContact O-N 3.41Å; P2008-G2012 PolarHBondContact O-N 2.87Å
2009I78.9Confident78.9Confident108 Ų10895 Ų9555%0.55449%0.491SS*.Hα-helixtrans-63.2-45176-62.9175000110M2005 G2006 F2007 G2012 V2013M2005-I2009 VanDerWaalsContact O-CD1 3.31Å; M2005-I2009 WeakPolarHBondContact O-CD1 3.48Å; M2005-I2009 WeakPolarHBondContact O-CG1 3.25Å; G2006-I2009 PolarHBondContact O-N 3.21Å; F2007-I2009 VanDerWaalsContact C-N 3.34Å; F2007-I2009 PolarHBondContact O-N 3.38Å; I2009-G2012 PolarHBondContact O-N 3.45Å; I2009-V2013 WeakPolarHBondContact O-CG2 3.18Å; I2009-V2013 PolarHBondContact O-N 2.9Å
2010I83.8Confident78.4Confident109 Ų10990.7 Ų90.756%0.55948%0.477SS*.Hα-helixtrans-62.6-47.2176.8-66.4165.6000110.9G2006 F2007 G2012 V2013 V2014G2006-I2010 WeakPolarHBondContact O-CG1 3.26Å; G2006-I2010 PolarHBondContact O-N 3.2Å; F2007-I2010 PolarHBondContact O-N 2.73Å; I2010-G2012 PolarHBondContact O-N 3.06Å; I2010-V2013 PolarHBondContact O-N 3.09Å; I2010-V2014 HydrophobicContact CG2-CG2 4.49Å; I2010-V2014 WeakPolarHBondContact O-CG2 3.07Å; I2010-V2014 PolarHBondContact O-N 3.28Å
2011I84.9Confident78.4Confident68 Ų6890.7 Ų90.735%0.34948%0.478SS..Hα-helixtrans-61.3-44.2178-76.5-177.1000111.7F2007 P2008 V2013 V2014 I2015F2007-I2011 HydrophobicContact CD1-CD1 3.84Å; F2007-I2011 HydrophobicContact CE1-CD1 3.32Å; F2007-I2011 HydrophobicContact CE1-CG1 4.36Å; F2007-I2011 HydrophobicContact CE2-CD1 4.12Å; F2007-I2011 HydrophobicContact CE2-CG1 4.46Å; F2007-I2011 HydrophobicContact CG-CD1 4.45Å; F2007-I2011 HydrophobicContact CZ-CD1 3.49Å; F2007-I2011 VanDerWaalsContact CZ-CD1 3.49Å; F2007-I2011 HydrophobicContact CZ-CG1 4.29Å; F2007-I2011 PolarHBondContact O-N 2.88Å; P2008-I2011 PolarHBondContact O-N 3.41Å; I2011-V2013 VanDerWaalsContact C-N 3.32Å; I2011-V2013 PolarHBondContact O-N 3.31Å; I2011-V2014 PolarHBondContact O-N 3.26Å; I2011-I2015 HydrophobicContact CG2-CD1 3.54Å; I2011-I2015 HydrophobicContact CG2-CG1 4.12Å; I2011-I2015 WeakPolarHBondContact O-CG1 3.22Å; I2011-I2015 PolarHBondContact O-N 3.28Å
2012G77.1Confident78.3Confident41 Ų4192.3 Ų92.342%0.42348%0.483SS..Hα-helixtrans-58-44.2179.100000112.4P2008 I2009 I2010 F2016P2008-G2012 PolarHBondContact O-N 2.87Å; I2009-G2012 PolarHBondContact O-N 3.45Å; I2010-G2012 PolarHBondContact O-N 3.06Å; G2012-F2016 WeakPolarHBondContact O-CB 3.47Å; G2012-F2016 PolarHBondContact O-N 3.03Å
2013V80.9Confident77.6Confident70 Ų7091.4 Ų91.442%0.42448%0.484SS..Hα-helixtrans-64.2-43.2175.3173.70000111.7I2009 I2010 I2011 F2016 I2017I2009-V2013 WeakPolarHBondContact O-CG2 3.18Å; I2009-V2013 PolarHBondContact O-N 2.9Å; I2010-V2013 PolarHBondContact O-N 3.09Å; I2011-V2013 VanDerWaalsContact C-N 3.32Å; I2011-V2013 PolarHBondContact O-N 3.31Å; V2013-F2016 PolarHBondContact O-N 3.35Å; V2013-I2017 HydrophobicContact CG1-CD1 3.83Å; V2013-I2017 WeakPolarHBondContact O-CG1 3.47Å; V2013-I2017 PolarHBondContact O-N 2.73Å; V2013-I2017 VanDerWaalsContact O-N 3.11Å
2014V83.1Confident76.9Confident71 Ų7190.1 Ų90.143%0.4348%0.478SS..Hα-helixtrans-64.8-46.2179.3170.30000111.7I2010 I2011 F2016 I2017 F2018I2010-V2014 HydrophobicContact CG2-CG2 4.49Å; I2010-V2014 WeakPolarHBondContact O-CG2 3.07Å; I2010-V2014 PolarHBondContact O-N 3.28Å; I2011-V2014 PolarHBondContact O-N 3.26Å; V2014-F2016 VanDerWaalsContact C-N 3.32Å; V2014-F2016 PolarHBondContact O-N 2.91Å; V2014-I2017 PolarHBondContact O-N 3.49Å; V2014-F2018 HydrophobicContact CG1-CD2 3.83Å; V2014-F2018 HydrophobicContact CG1-CE2 4.14Å; V2014-F2018 WeakPolarHBondContact O-CD2 3.36Å; V2014-F2018 PolarHBondContact O-N 3.39Å; V2014-F2018 VanDerWaalsContact O-N 3.09Å
2015I79.8Confident76.6Confident105 Ų10587.3 Ų87.354%0.53847%0.471SS..Hα-helixtrans-60.7-43.8176.9-69.3174.2000110.2I2011 I2017 F2018 S2019I2011-I2015 HydrophobicContact CG2-CD1 3.54Å; I2011-I2015 HydrophobicContact CG2-CG1 4.12Å; I2011-I2015 WeakPolarHBondContact O-CG1 3.22Å; I2011-I2015 PolarHBondContact O-N 3.28Å; I2015-I2017 VanDerWaalsContact C-N 3.35Å; I2015-I2017 PolarHBondContact O-N 3.38Å; I2015-F2018 PolarHBondContact O-N 3.23Å; I2015-S2019 WeakPolarHBondContact O-CB 3.45Å; I2015-S2019 PolarHBondContact O-N 2.95Å
2016F77.2Confident75.9Confident88 Ų8885.5 Ų85.539%0.38646%0.464SS..Hα-helixtrans-62.9-39.4-179.1-167.2-91.3000113G2012 V2013 V2014 P2020 V2323 V2327G2012-F2016 WeakPolarHBondContact O-CB 3.47Å; G2012-F2016 PolarHBondContact O-N 3.03Å; V2013-F2016 PolarHBondContact O-N 3.35Å; V2014-F2016 VanDerWaalsContact C-N 3.32Å; V2014-F2016 PolarHBondContact O-N 2.91Å; F2016-P2020 WeakPolarHBondContact O-CD 3.45Å; F2016-V2323 HydrophobicContact CE1-CG1 3.91Å; F2016-V2323 HydrophobicContact CZ-CG1 3.49Å; F2016-V2323 VanDerWaalsContact CZ-CG1 3.49Å; F2016-V2327 HydrophobicContact CD1-CB 4.39Å; F2016-V2327 HydrophobicContact CD1-CG1 4.04Å; F2016-V2327 HydrophobicContact CE1-CB 3.64Å; F2016-V2327 HydrophobicContact CE1-CG1 3.77Å; F2016-V2327 HydrophobicContact CE1-CG2 3.58Å; F2016-V2327 HydrophobicContact CE2-CG2 4.14Å; F2016-V2327 HydrophobicContact CZ-CB 3.95Å; F2016-V2327 HydrophobicContact CZ-CG1 4.2Å; F2016-V2327 HydrophobicContact CZ-CG2 3.31Å
2017I79.8Confident74.9Confident70 Ų7086.2 Ų86.236%0.35946%0.46SS..Hα-helixtrans-70-43.5178.2-67.9166.7000111.6V2013 V2014 I2015V2013-I2017 HydrophobicContact CG1-CD1 3.83Å; V2013-I2017 WeakPolarHBondContact O-CG1 3.47Å; V2013-I2017 PolarHBondContact O-N 2.73Å; V2013-I2017 VanDerWaalsContact O-N 3.11Å; V2014-I2017 PolarHBondContact O-N 3.49Å; I2015-I2017 VanDerWaalsContact C-N 3.35Å; I2015-I2017 PolarHBondContact O-N 3.38Å
2018F81.2Confident73.7Confident115 Ų11584.7 Ų84.750%0.50446%0.458SS..Hα-helixtrans-90.3-22.5-173.3-72.7-66.1000115.2V2014 I2015 L2021 L2022V2014-F2018 HydrophobicContact CG1-CD2 3.83Å; V2014-F2018 HydrophobicContact CG1-CE2 4.14Å; V2014-F2018 WeakPolarHBondContact O-CD2 3.36Å; V2014-F2018 PolarHBondContact O-N 3.39Å; V2014-F2018 VanDerWaalsContact O-N 3.09Å; I2015-F2018 PolarHBondContact O-N 3.23Å; F2018-L2021 HydrophobicContact CD1-CD1 4.24Å; F2018-L2021 WeakPolarHBondContact O-CB 3.39Å; F2018-L2021 PolarHBondContact O-N 2.93Å; F2018-L2021 VanDerWaalsContact O-N 3.12Å; F2018-L2022 PolarHBondContact O-N 2.82Å
2019S72Confident72.9Confident63 Ų6389.3 Ų89.344%0.44147%0.473SS..Hα-helixtrans-55-44.5-175.9172.60000113.7I2015 L2021 L2022 L2023I2015-S2019 WeakPolarHBondContact O-CB 3.45Å; I2015-S2019 PolarHBondContact O-N 2.95Å; S2019-L2021 PolarHBondContact O-N 3.49Å; S2019-L2022 PolarHBondContact O-N 2.94Å; S2019-L2023 WeakPolarHBondContact O-CB 3.5Å; S2019-L2023 PolarHBondContact O-N 3.4Å
2020P68.1Low72.1Confident52 Ų5288.4 Ų88.434%0.33847%0.469SS..Hα-helixtrans-65.9-34.8177.3-22.334.8000113.9F2016 W2024 Y2320F2016-P2020 WeakPolarHBondContact O-CD 3.45Å; P2020-W2024 PolarHBondContact O-N 3.02Å; P2020-W2024 VanDerWaalsContact O-N 3.07Å; P2020-Y2320 HydrophobicContact CB-CD2 3.68Å; P2020-Y2320 HydrophobicContact CB-CE2 4Å; P2020-Y2320 HydrophobicContact CG-CD2 3.99Å; P2020-Y2320 HydrophobicContact CG-CE2 4.16Å
2021L71.3Confident71.2Confident76 Ų7684.4 Ų84.440%0.39845%0.454SS..Hα-helixtrans-67.8-43.2176.5-80.9157.8000111.6F2018 S2019 W2024 S2025F2018-L2021 HydrophobicContact CD1-CD1 4.24Å; F2018-L2021 WeakPolarHBondContact O-CB 3.39Å; F2018-L2021 PolarHBondContact O-N 2.93Å; F2018-L2021 VanDerWaalsContact O-N 3.12Å; S2019-L2021 PolarHBondContact O-N 3.49Å; L2021-W2024 PolarHBondContact O-N 2.85Å; L2021-S2025 PolarHBondContact O-N 3.42Å; L2021-S2025 VanDerWaalsContact O-N 3.14Å
2022L71Confident70.3Confident103 Ų10384.1 Ų84.154%0.53946%0.456SS..Hα-helixtrans-64.5-43.4175.8-111.1162.6000111.7F2018 S2019 W2024 S2025 L2026F2018-L2022 PolarHBondContact O-N 2.82Å; S2019-L2022 PolarHBondContact O-N 2.94Å; L2022-W2024 VanDerWaalsContact C-N 3.32Å; L2022-W2024 PolarHBondContact O-N 3.49Å; L2022-S2025 PolarHBondContact O-N 2.88Å; L2022-S2025 PolarHBondContact O-OG 3.4Å; L2022-L2026 HydrophobicContact CD2-CD1 4.15Å; L2022-L2026 WeakPolarHBondContact O-CD1 3.29Å; L2022-L2026 WeakPolarHBondContact O-CG 3.45Å; L2022-L2026 PolarHBondContact O-N 3.2Å
2023L65.4Low70Confident106 Ų10684.8 Ų84.856%0.55545%0.449SS*.Hα-helixtrans-59.9-43.8176.3-160.583.4000110.8S2019 L2026 L2027S2019-L2023 WeakPolarHBondContact O-CB 3.5Å; S2019-L2023 PolarHBondContact O-N 3.4Å; L2023-L2026 PolarHBondContact O-N 3.49Å; L2023-L2027 HydrophobicContact CD2-CD1 3.92Å; L2023-L2027 HydrophobicContact CG-CD1 3.74Å; L2023-L2027 HydrophobicContact CG-CG 4.3Å; L2023-L2027 WeakPolarHBondContact O-CB 3.37Å; L2023-L2027 VanDerWaalsContact O-CG 3.22Å; L2023-L2027 WeakPolarHBondContact O-CG 3.32Å; L2023-L2027 PolarHBondContact O-N 3.34Å
2024W66.6Low69.5Low141 Ų14182.3 Ų82.353%0.53444%0.435SS..Hα-helixtrans-65.3-41.3179.5-176.643.2000113.3P2020 L2021 L2022 L2026P2020-W2024 PolarHBondContact O-N 3.02Å; P2020-W2024 VanDerWaalsContact O-N 3.07Å; L2021-W2024 PolarHBondContact O-N 2.85Å; L2022-W2024 VanDerWaalsContact C-N 3.32Å; L2022-W2024 PolarHBondContact O-N 3.49Å; W2024-L2026 VanDerWaalsContact C-N 3.3Å; W2024-L2026 PolarHBondContact O-N 3.13Å
2025S67.8Low68.9Low74 Ų7483.6 Ų83.652%0.51744%0.437SS..Hα-helixtrans-69-28.8179.2780000113.2L2021 L2022L2021-S2025 PolarHBondContact O-N 3.42Å; L2021-S2025 VanDerWaalsContact O-N 3.14Å; L2022-S2025 PolarHBondContact O-N 2.88Å; L2022-S2025 PolarHBondContact O-OG 3.4Å
2026L64Low68.8Low105 Ų10579.1 Ų79.155%0.5542%0.415SS..Hα-helixtrans-80.6-39178.3-69.5167.2000112.5L2022 L2023 W2024 N2028L2022-L2026 HydrophobicContact CD2-CD1 4.15Å; L2022-L2026 WeakPolarHBondContact O-CD1 3.29Å; L2022-L2026 WeakPolarHBondContact O-CG 3.45Å; L2022-L2026 PolarHBondContact O-N 3.2Å; L2023-L2026 PolarHBondContact O-N 3.49Å; W2024-L2026 VanDerWaalsContact C-N 3.3Å; W2024-L2026 PolarHBondContact O-N 3.13Å; L2026-N2028 VanDerWaalsContact C-N 3.35Å; L2026-N2028 PolarHBondContact O-N 2.88Å
2027L58.1Low68.8Low45 Ų4580.7 Ų80.724%0.23642%0.424CS..Hα-helixtrans-70.7-24.2-175-74.8174.5000114.5L2023 Q2029 I2030 L2308 F2312L2023-L2027 HydrophobicContact CD2-CD1 3.92Å; L2023-L2027 HydrophobicContact CG-CD1 3.74Å; L2023-L2027 HydrophobicContact CG-CG 4.3Å; L2023-L2027 WeakPolarHBondContact O-CB 3.37Å; L2023-L2027 VanDerWaalsContact O-CG 3.22Å; L2023-L2027 WeakPolarHBondContact O-CG 3.32Å; L2023-L2027 PolarHBondContact O-N 3.34Å; L2027-Q2029 PolarHBondContact O-N 3.08Å; L2027-Q2029 VanDerWaalsContact O-N 3.09Å; L2027-I2030 HydrophobicContact CD2-CD1 4.03Å; L2027-L2308 HydrophobicContact CD1-CD2 4.16Å; L2027-L2308 HydrophobicContact CD2-CD2 4.14Å; L2027-F2312 HydrophobicContact CB-CZ 4.48Å
2028N57.9Low68.9Low97 Ų9780.4 Ų80.452%0.51942%0.42SS..THydrogen-bonded Turntrans-67.7-5-178.8-81.1-6.4000114.8L2026L2026-N2028 VanDerWaalsContact C-N 3.35Å; L2026-N2028 PolarHBondContact O-N 2.88Å
2029Q61Low69.3Low168 Ų16874.9 Ų74.979%0.78540%0.396SS*.THydrogen-bonded Turntrans-100.21-175.1-64.8-171.9-3200114.8L2027L2027-Q2029 PolarHBondContact O-N 3.08Å; L2027-Q2029 VanDerWaalsContact O-N 3.09Å
2030I62.7Low70.1Confident89 Ų8972.4 Ų72.446%0.45638%0.378SS..  trans-11155.2-160.3-39.9176.2000112.7L2027L2027-I2030 HydrophobicContact CD2-CD1 4.03Å
2031G64.7Low71.2Confident25 Ų2570 Ų7026%0.25836%0.362SS..PPolyproline II helixtrans-98.6136.2175.500000113A2303G2031-A2303 WeakPolarHBondContact CA-O 3.14Å
2032T67.5Low72.2Confident62 Ų6271 Ų7138%0.3836%0.361SS..BIsolated β-bridgetrans-102147.3-175.947.10000112.7R2302 A2303T2032-R2302 CarbonylContact O-C 3.59Å; T2032-R2302 VanDerWaalsContact O-CA 3.26Å; T2032-R2302 WeakPolarHBondContact O-CA 3.48Å; T2032-R2302 WeakPolarHBondContact O-CB 3.34Å; T2032-A2303 PolarHBondContact N-O 3.06Å; T2032-A2303 PolarHBondContact O-N 2.95Å; T2032-A2303 PolarHBondContact OG1-O 3.03Å
2033I69.3Low73Confident56 Ų5666.1 Ų66.129%0.28734%0.335SS..PPolyproline II helixtrans-84.7132.9169.6-95.6171.2000109M2035 E2109 D2110 R2302I2033-M2035 HydrophobicContact CG2-CE 4.41Å; I2033-M2035 HydrophobicContact CG2-CG 3.86Å; I2033-E2109 HydrophobicContact CD1-CB 3.57Å; I2033-D2110 WeakPolarHBondContact CD1-OD1 3.39Å; I2033-D2110 WeakPolarHBondContact CG1-OD1 3.39Å; I2033-R2302 HydrophobicContact CG1-CG 4.32Å
2034S70.6Confident74Confident18 Ų1861.9 Ų61.913%0.12631%0.314CS..  trans-118.897.8167.239.90000109R2154S2034-R2154 PolarHBondContact OG-NH1 2.84Å
2035M71.5Confident74.9Confident97 Ų9755.4 Ų55.448%0.47829%0.29SS..  trans-66139178.3-68.2-176.8173.600110.4I2033 M2068 P2155I2033-M2035 HydrophobicContact CG2-CE 4.41Å; I2033-M2035 HydrophobicContact CG2-CG 3.86Å; M2035-M2068 HydrophobicContact CE-SD 4.04Å; M2035-P2155 WeakPolarHBondContact O-CD 3.05Å
2036P77.4Confident75.5Confident11 Ų1155.5 Ų55.57%0.07128%0.282CS..  trans-67.4133173.829-34.2000110.5K2038 V2039 L2066 L2112 F2152 T2153 I2300P2036-K2038 VanDerWaalsContact C-N 3.34Å; P2036-V2039 HydrophobicContact CB-CG2 4.29Å; P2036-V2039 HydrophobicContact CG-CG2 4.31Å; P2036-L2066 HydrophobicContact CG-CD2 4.17Å; P2036-L2112 HydrophobicContact CG-CD2 3.55Å; P2036-F2152 HydrophobicContact CB-CD1 4.12Å; P2036-F2152 HydrophobicContact CG-CD1 4.07Å; P2036-T2153 CarbonylContact C-O 3.43Å; P2036-T2153 VanDerWaalsContact CA-O 3.28Å; P2036-T2153 WeakPolarHBondContact CA-O 3.32Å; P2036-I2300 HydrophobicContact CG-CD1 4.49Å
2037E77.1Confident76.2Confident121 Ų12154 Ų5457%0.56529%0.292SS*.SBendtrans-67.7-38.9179.1-178.2-178.4164.300111.2T2153E2037-T2153 PolarHBondContact N-O 2.9Å
2038K82.6Confident77.5Confident64 Ų6453.8 Ų53.828%0.27829%0.289SS..EExtended strand (participates in β ladder)trans-153.2158.7175.456.8173176.6179.10111.6P2036 E2055 A2056 T2153P2036-K2038 VanDerWaalsContact C-N 3.34Å; K2038-E2055 HydrophobicContact CB-CG 4.08Å; K2038-E2055 HydrophobicContact CD-CG 3.93Å; K2038-E2055 WeakPolarHBondContact CD-OE1 3.32Å; K2038-E2055 WeakPolarHBondContact CD-OE2 3.44Å; K2038-E2055 VanDerWaalsContact NZ-CD 3.34Å; K2038-E2055 IonicContact NZ-OE1 3.68Å; K2038-E2055 PolarHBondContact NZ-OE1 3.31Å; K2038-E2055 IonicContact NZ-OE2 2.67Å; K2038-E2055 PolarHBondContact NZ-OE2 2.87Å; K2038-A2056 WeakPolarHBondContact CA-O 3.23Å; K2038-T2153 HydrophobicContact CG-CG2 4.35Å; K2038-T2153 WeakPolarHBondContact CG-OG1 3.23Å; K2038-T2153 PolarHBondContact O-N 2.96Å; K2038-T2153 VanDerWaalsContact O-N 3.07Å; K2038-T2153 PolarHBondContact O-OG1 2.63Å
2039V88.5Confident78.8Confident0 Ų051 Ų510%028%0.276CS..EExtended strand (participates in β ladder)trans-130.2122.2173.1-171.10000108.1P2036 A2056 L2066 V2114 F2116 L2150 E2151 F2152P2036-V2039 HydrophobicContact CB-CG2 4.29Å; P2036-V2039 HydrophobicContact CG-CG2 4.31Å; V2039-A2056 PolarHBondContact N-O 3.48Å; V2039-A2056 VanDerWaalsContact N-O 3.09Å; V2039-A2056 PolarHBondContact O-N 2.97Å; V2039-L2066 HydrophobicContact CG2-CD2 3.86Å; V2039-V2114 HydrophobicContact CB-CG1 3.99Å; V2039-V2114 HydrophobicContact CG1-CG1 4.17Å; V2039-V2114 HydrophobicContact CG2-CG1 4.31Å; V2039-V2114 HydrophobicContact CG2-CG2 4.17Å; V2039-F2116 HydrophobicContact CB-CE1 4.39Å; V2039-F2116 HydrophobicContact CB-CZ 4.42Å; V2039-F2116 HydrophobicContact CG1-CE1 4.16Å; V2039-F2116 HydrophobicContact CG1-CZ 3.81Å; V2039-L2150 HydrophobicContact CG1-CD1 3.67Å; V2039-L2150 HydrophobicContact CG1-CG 4.4Å; V2039-E2151 WeakPolarHBondContact CA-O 3.29Å; V2039-F2152 HydrophobicContact CB-CD1 4.41Å; V2039-F2152 HydrophobicContact CG1-CD1 4.06Å; V2039-F2152 HydrophobicContact CG1-CD2 4.15Å; V2039-F2152 HydrophobicContact CG1-CE1 4.07Å; V2039-F2152 HydrophobicContact CG1-CE2 4.19Å; V2039-F2152 HydrophobicContact CG1-CG 4.1Å; V2039-F2152 HydrophobicContact CG1-CZ 4.14Å; V2039-F2152 HydrophobicContact CG2-CD1 3.42Å; V2039-F2152 VanDerWaalsContact CG2-CD1 3.42Å; V2039-F2152 HydrophobicContact CG2-CE1 3.67Å; V2039-F2152 HydrophobicContact CG2-CG 4.09Å
2040T90.2Very high79.9Confident11 Ų1144.8 Ų44.87%0.06725%0.25CC..EExtended strand (participates in β ladder)trans-107.8125.2-179.551.50000110E2055 E2151T2040-E2055 HydrophobicContact CG2-CB 4.1Å; T2040-E2055 HydrophobicContact CG2-CG 3.74Å; T2040-E2055 WeakPolarHBondContact CG2-OE2 3.38Å; T2040-E2151 PolarHBondContact N-O 3.41Å; T2040-E2151 PolarHBondContact O-N 3.26Å; T2040-E2151 WeakPolarHBondContact OG1-CB 3.15Å; T2040-E2151 PolarHBondContact OG1-O 2.56Å
2041L90.8Very high81Confident0 Ų040.6 Ų40.60%023%0.228CC..EExtended strand (participates in β ladder)trans-108.1126.8170.5178.463.8000109.2I2043 Y2052 M2054 F2116 V2148 L2150 I2202 L2294L2041-I2043 HydrophobicContact CD2-CD1 4.43Å; L2041-I2043 HydrophobicContact CG-CG1 4.34Å; L2041-Y2052 HydrophobicContact CD2-CE1 4.11Å; L2041-Y2052 HydrophobicContact CG-CE1 4.38Å; L2041-M2054 PolarHBondContact N-O 2.98Å; L2041-M2054 PolarHBondContact O-N 3.39Å; L2041-M2054 VanDerWaalsContact O-N 3.11Å; L2041-F2116 HydrophobicContact CB-CD1 3.8Å; L2041-F2116 HydrophobicContact CB-CD2 4.32Å; L2041-F2116 HydrophobicContact CB-CE1 3.58Å; L2041-F2116 HydrophobicContact CB-CE2 4.14Å; L2041-F2116 HydrophobicContact CB-CG 4.17Å; L2041-F2116 HydrophobicContact CB-CZ 3.77Å; L2041-F2116 HydrophobicContact CD2-CD2 3.79Å; L2041-F2116 HydrophobicContact CD2-CE2 4.04Å; L2041-F2116 HydrophobicContact CD2-CG 4.07Å; L2041-V2148 HydrophobicContact CD1-CG1 3.84Å; L2041-L2150 HydrophobicContact CB-CD1 4.17Å; L2041-L2150 HydrophobicContact CD1-CB 4.43Å; L2041-L2150 HydrophobicContact CD1-CD1 4.16Å; L2041-I2202 HydrophobicContact CD1-CD1 4.04Å; L2041-I2202 HydrophobicContact CD2-CD1 3.74Å; L2041-L2294 HydrophobicContact CD2-CD2 3.42Å; L2041-L2294 VanDerWaalsContact CD2-CD2 3.42Å; L2041-L2294 HydrophobicContact CD2-CG 4.21Å
2042R90.7Very high82.2Confident99 Ų9939.4 Ų39.437%0.37422%0.216SC..EExtended strand (participates in β ladder)trans-123139.1173.1-53.9174.9158.8138.52110.1E2053 S2149R2042-E2053 HydrophobicContact CG-CG 4.15Å; R2042-E2053 IonicContact CZ-OE1 3.7Å; R2042-E2053 IonicContact NE-OE1 3.62Å; R2042-E2053 PolarHBondContact NE-OE1 3.18Å; R2042-E2053 IonicContact NE-OE2 2.71Å; R2042-E2053 IonicContact NH2-OE1 2.74Å; R2042-E2053 PolarHBondContact NH2-OE1 3.11Å; R2042-S2149 WeakPolarHBondContact CB-OG 3.3Å; R2042-S2149 PolarHBondContact N-O 3.4Å; R2042-S2149 PolarHBondContact O-N 3.14Å
2043I89.3Confident83.3Confident0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-128.6114.1-179.2-60.5-178.9000106.5L2041 P2050 L2051 Y2052 F2146 L2250 L2252 A2267L2041-I2043 HydrophobicContact CD2-CD1 4.43Å; L2041-I2043 HydrophobicContact CG-CG1 4.34Å; I2043-P2050 CarbonylContact O-C 3.55Å; I2043-L2051 PolarHBondContact O-N 3.12Å; I2043-Y2052 HydrophobicContact CB-CD1 4.33Å; I2043-Y2052 HydrophobicContact CD1-CD1 3.61Å; I2043-Y2052 HydrophobicContact CD1-CE1 4.19Å; I2043-Y2052 HydrophobicContact CD1-CG 4.26Å; I2043-Y2052 HydrophobicContact CG1-CD1 3.91Å; I2043-Y2052 PolarHBondContact N-O 2.69Å; I2043-Y2052 PolarHBondContact O-N 2.94Å; I2043-F2146 HydrophobicContact CG2-CE1 3.57Å; I2043-F2146 HydrophobicContact CG2-CE2 3.95Å; I2043-F2146 HydrophobicContact CG2-CZ 3.09Å; I2043-L2250 HydrophobicContact CD1-CD1 3.63Å; I2043-L2250 HydrophobicContact CD1-CD2 3.89Å; I2043-L2250 HydrophobicContact CD1-CG 4.42Å; I2043-L2250 HydrophobicContact CG2-CD2 4.14Å; I2043-L2252 HydrophobicContact CG2-CD1 4.29Å; I2043-A2267 HydrophobicContact CD1-CB 4.41Å
2044S86.7Confident84.2Confident17 Ų1735.5 Ų35.512%0.11919%0.193CC..EExtended strand (participates in β ladder)trans-138.5166.4-172.574.70000112.5E2147S2044-E2147 PolarHBondContact N-O 2.89Å; S2044-E2147 PolarHBondContact O-N 3.44Å
2045I84.8Confident85Confident4 Ų436.5 Ų36.52%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-105.6132.2168.3-68.5170.6000106.5G2047 Y2048 L2051 M2134 V2144 F2146I2045-G2047 PolarHBondContact O-N 3.43Å; I2045-Y2048 HydrophobicContact CB-CD2 4.3Å; I2045-Y2048 HydrophobicContact CG2-CD2 3.88Å; I2045-Y2048 HydrophobicContact CG2-CE2 4.43Å; I2045-Y2048 PolarHBondContact O-N 3.2Å; I2045-L2051 HydrophobicContact CD1-CD1 3.9Å; I2045-L2051 HydrophobicContact CG1-CD1 3.91Å; I2045-M2134 HydrophobicContact CB-CE 3.98Å; I2045-M2134 HydrophobicContact CD1-CE 3.82Å; I2045-M2134 HydrophobicContact CD1-SD 3.77Å; I2045-M2134 HydrophobicContact CG1-CE 4.42Å; I2045-M2134 HydrophobicContact CG2-CE 4.32Å; I2045-V2144 HydrophobicContact CG2-CG1 3.34Å; I2045-F2146 HydrophobicContact CG1-CD2 3.96Å; I2045-F2146 HydrophobicContact CG1-CE2 4.41Å
2046E80.8Confident85.6Confident76 Ų7631.9 Ų31.936%0.35517%0.172SC..THydrogen-bonded Turntrans-49.9112.6-172.6-174.3-174.5-177.700113.1K2137 N2145E2046-K2137 PolarHBondContact O-NZ 2.9Å; E2046-N2145 HydrophobicContact CB-CB 4.28Å; E2046-N2145 WeakPolarHBondContact CB-O 3.4Å; E2046-N2145 PolarHBondContact N-O 2.86Å; E2046-N2145 VanDerWaalsContact OE2-CB 3.28Å; E2046-N2145 WeakPolarHBondContact OE2-CB 3.37Å; E2046-N2145 PolarHBondContact OE2-N 3.43Å; E2046-N2145 PolarHBondContact OE2-ND2 3.3Å
2047G78.8Confident85.6Confident74 Ų7435.9 Ų35.976%0.76319%0.19SC*.THydrogen-bonded Turntrans90.912.2-178.700000116I2045I2045-G2047 PolarHBondContact O-N 3.43Å
2048Y85.2Confident84.8Confident40 Ų4031.8 Ų31.816%0.15718%0.181CC..SBendtrans-128.4160.6177.7-65.7-77.7000112.5I2045 S2130 A2133 M2134 K2137I2045-Y2048 HydrophobicContact CB-CD2 4.3Å; I2045-Y2048 HydrophobicContact CG2-CD2 3.88Å; I2045-Y2048 HydrophobicContact CG2-CE2 4.43Å; I2045-Y2048 PolarHBondContact O-N 3.2Å; Y2048-S2130 VanDerWaalsContact CE1-O 3.31Å; Y2048-S2130 WeakPolarHBondContact CE1-O 3.48Å; Y2048-A2133 VanDerWaalsContact OH-C 3.25Å; Y2048-A2133 PolarHBondContact OH-O 2.94Å; Y2048-M2134 HydrophobicContact CD1-CB 4.23Å; Y2048-M2134 HydrophobicContact CD1-CE 3.9Å; Y2048-M2134 HydrophobicContact CD2-CB 4.47Å; Y2048-M2134 HydrophobicContact CD2-CE 3.54Å; Y2048-M2134 HydrophobicContact CD2-CG 4.31Å; Y2048-M2134 HydrophobicContact CE1-CB 3.82Å; Y2048-M2134 HydrophobicContact CE2-CB 4.05Å; Y2048-M2134 HydrophobicContact CE2-CE 4.27Å; Y2048-M2134 HydrophobicContact CE2-CG 4.11Å; Y2048-M2134 HydrophobicContact CG-CE 3.32Å; Y2048-M2134 WeakPolarHBondContact OH-CA 3.3Å; Y2048-M2134 PolarHBondContact OH-N 2.98Å; Y2048-K2137 HydrophobicContact CE2-CD 3.95Å
2049P84.5Confident83.4Confident40 Ų4034.3 Ų34.326%0.2621%0.206SC..  trans-55.7147.3173.9-23.533.8000112.2L2051 P2125P2049-L2051 PolarHBondContact O-N 3.3Å; P2049-P2125 HydrophobicContact CB-CG 4.01Å
2050P85.2Confident81.7Confident36 Ų3639.7 Ų39.723%0.23424%0.235CC..  trans-57.5135.2-179.224.6-33.3000110.9I2043 E2053 W2124I2043-P2050 CarbonylContact O-C 3.55Å; P2050-E2053 HydrophobicContact CB-CB 4.45Å; P2050-E2053 HydrophobicContact CG-CB 4.41Å; P2050-E2053 WeakPolarHBondContact CG-OE2 3.32Å; P2050-W2124 VanDerWaalsContact O-CD1 3.26Å
2051L85.7Confident79.8Confident1 Ų148.4 Ų48.41%0.00528%0.275CS..SBendtrans-70-45.1173.2-61.1168.7000109.1I2043 I2045 P2049 W2124 F2146 L2252 W2265I2043-L2051 PolarHBondContact O-N 3.12Å; I2045-L2051 HydrophobicContact CD1-CD1 3.9Å; I2045-L2051 HydrophobicContact CG1-CD1 3.91Å; P2049-L2051 PolarHBondContact O-N 3.3Å; L2051-W2124 HydrophobicContact CD2-CZ2 3.72Å; L2051-F2146 HydrophobicContact CD1-CE2 3.8Å; L2051-L2252 HydrophobicContact CD1-CD1 3.89Å; L2051-W2265 HydrophobicContact CB-CD2 4.42Å; L2051-W2265 HydrophobicContact CB-CG 4.15Å; L2051-W2265 HydrophobicContact CD2-CD2 4.49Å; L2051-W2265 HydrophobicContact CD2-CZ2 3.83Å; L2051-W2265 WeakPolarHBondContact O-CB 3.24Å
2052Y89.1Confident77.9Confident0 Ų055.3 Ų55.30%031%0.311CS..EExtended strand (participates in β ladder)trans-133.3129.7179.2167-80.2000109.2L2041 I2043 M2054 F2116 R2117 A2267 L2294L2041-Y2052 HydrophobicContact CD2-CE1 4.11Å; L2041-Y2052 HydrophobicContact CG-CE1 4.38Å; I2043-Y2052 HydrophobicContact CB-CD1 4.33Å; I2043-Y2052 HydrophobicContact CD1-CD1 3.61Å; I2043-Y2052 HydrophobicContact CD1-CE1 4.19Å; I2043-Y2052 HydrophobicContact CD1-CG 4.26Å; I2043-Y2052 HydrophobicContact CG1-CD1 3.91Å; I2043-Y2052 PolarHBondContact N-O 2.69Å; I2043-Y2052 PolarHBondContact O-N 2.94Å; Y2052-M2054 HydrophobicContact CE1-CB 3.76Å; Y2052-M2054 HydrophobicContact CE2-CB 4.4Å; Y2052-M2054 WeakPolarHBondContact OH-CB 3.22Å; Y2052-F2116 WeakPolarHBondContact OH-CB 3.48Å; Y2052-R2117 WeakPolarHBondContact CE2-O 3.45Å; Y2052-R2117 PolarHBondContact OH-O 3.05Å; Y2052-A2267 HydrophobicContact CD1-CB 4.41Å; Y2052-A2267 HydrophobicContact CD2-CB 3.75Å; Y2052-A2267 HydrophobicContact CE2-CB 3.86Å; Y2052-A2267 HydrophobicContact CG-CB 4.03Å; Y2052-L2294 HydrophobicContact CE1-CD2 4.22Å
2053E89.7Confident76.2Confident34 Ų3454.4 Ų54.416%0.15931%0.314CS..EExtended strand (participates in β ladder)trans-134.1132.4174-179.8158.8-159.600108.3R2042 P2050 S2120 E2121 I2122R2042-E2053 HydrophobicContact CG-CG 4.15Å; R2042-E2053 IonicContact CZ-OE1 3.7Å; R2042-E2053 IonicContact NE-OE1 3.62Å; R2042-E2053 PolarHBondContact NE-OE1 3.18Å; R2042-E2053 IonicContact NE-OE2 2.71Å; R2042-E2053 IonicContact NH2-OE1 2.74Å; R2042-E2053 PolarHBondContact NH2-OE1 3.11Å; P2050-E2053 HydrophobicContact CB-CB 4.45Å; P2050-E2053 HydrophobicContact CG-CB 4.41Å; P2050-E2053 WeakPolarHBondContact CG-OE2 3.32Å; E2053-S2120 PolarHBondContact N-OG 2.89Å; E2053-S2120 PolarHBondContact O-OG 3.19Å; E2053-E2121 WeakPolarHBondContact O-CB 3.21Å; E2053-E2121 PolarHBondContact O-N 3.32Å; E2053-I2122 HydrophobicContact CB-CD1 4.42Å; E2053-I2122 HydrophobicContact CG-CD1 4.15Å
2054M89.1Confident74.9Confident3 Ų357.1 Ų57.12%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-148.3126.3-178.517957.949.800110.2L2041 Y2052 F2116 R2117 E2119 E2121L2041-M2054 PolarHBondContact N-O 2.98Å; L2041-M2054 PolarHBondContact O-N 3.39Å; L2041-M2054 VanDerWaalsContact O-N 3.11Å; Y2052-M2054 HydrophobicContact CE1-CB 3.76Å; Y2052-M2054 HydrophobicContact CE2-CB 4.4Å; Y2052-M2054 WeakPolarHBondContact OH-CB 3.22Å; M2054-F2116 HydrophobicContact CB-CB 4.37Å; M2054-F2116 HydrophobicContact CB-CD1 4.36Å; M2054-F2116 HydrophobicContact CG-CB 3.79Å; M2054-F2116 HydrophobicContact CG-CD1 4Å; M2054-F2116 HydrophobicContact CG-CG 4.41Å; M2054-R2117 HydrophobicContact CE-CB 3.73Å; M2054-R2117 HydrophobicContact CE-CG 4.17Å; M2054-R2117 HydrophobicContact SD-CB 3.97Å; M2054-R2117 HydrophobicContact SD-CG 3.84Å; M2054-E2119 WeakPolarHBondContact CE-O 3.36Å; M2054-E2121 HydrophobicContact CE-CB 3.79Å; M2054-E2121 HydrophobicContact SD-CB 4.43Å
2055E87.4Confident74.3Confident38 Ų3857.3 Ų57.318%0.17834%0.335CS..EExtended strand (participates in β ladder)trans-100.2118.6170.1-168.7168.4124.100110K2038 T2040 Q2057 E2121K2038-E2055 HydrophobicContact CB-CG 4.08Å; K2038-E2055 HydrophobicContact CD-CG 3.93Å; K2038-E2055 WeakPolarHBondContact CD-OE1 3.32Å; K2038-E2055 WeakPolarHBondContact CD-OE2 3.44Å; K2038-E2055 VanDerWaalsContact NZ-CD 3.34Å; K2038-E2055 IonicContact NZ-OE1 3.68Å; K2038-E2055 PolarHBondContact NZ-OE1 3.31Å; K2038-E2055 IonicContact NZ-OE2 2.67Å; K2038-E2055 PolarHBondContact NZ-OE2 2.87Å; T2040-E2055 HydrophobicContact CG2-CB 4.1Å; T2040-E2055 HydrophobicContact CG2-CG 3.74Å; T2040-E2055 WeakPolarHBondContact CG2-OE2 3.38Å; E2055-Q2057 HydrophobicContact CG-CG 3.97Å; E2055-Q2057 PolarHBondContact OE1-NE2 3.05Å; E2055-E2121 PolarHBondContact N-OE2 3.13Å
2056A84.2Confident73.9Confident0 Ų058.4 Ų58.40%034%0.341CS..EExtended strand (participates in β ladder)trans-85.5126.2167.300000108.8K2038 V2039 E2065 L2066 V2114 F2116K2038-A2056 WeakPolarHBondContact CA-O 3.23Å; V2039-A2056 PolarHBondContact N-O 3.48Å; V2039-A2056 VanDerWaalsContact N-O 3.09Å; V2039-A2056 PolarHBondContact O-N 2.97Å; A2056-E2065 HydrophobicContact CB-CB 4.26Å; A2056-L2066 HydrophobicContact CB-CD1 4.07Å; A2056-L2066 HydrophobicContact CB-CG 4.49Å; A2056-V2114 HydrophobicContact CB-CG1 3.91Å; A2056-F2116 HydrophobicContact CB-CD1 4.17Å; A2056-F2116 HydrophobicContact CB-CE1 4.14Å
2057Q76.7Confident73.7Confident96 Ų9655.6 Ų55.645%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-123.8144.4-178.5-64.5-176.4-9.800112.6E2055 E2065E2055-Q2057 HydrophobicContact CG-CG 3.97Å; E2055-Q2057 PolarHBondContact OE1-NE2 3.05Å; Q2057-E2065 PolarHBondContact N-OE2 3.37Å; Q2057-E2065 VanDerWaalsContact N-OE2 3.13Å
2058G60.7Low73.8Confident35 Ų3556.8 Ų56.836%0.36132%0.32SS..  trans-159.673.6-171.600000115.2
2059S53.2Low73.7Confident117 Ų11755 Ų5582%0.81831%0.313SS*.SBendtrans-97.8-14.4170.5-175.70000114.1
2060N52.3Low73.6Confident112 Ų11259.6 Ų59.660%0.59933%0.329SS*.SBendtrans-127146-174.3-76-19.5000111.4D2062 N2063N2060-D2062 PolarHBondContact O-N 3.03Å; N2060-N2063 PolarHBondContact O-N 3.43Å
2061H50.9Low73.6Confident195 Ų19561.9 Ų61.990%0.90334%0.344SS*.THydrogen-bonded Turntrans-61.6-13-174.5-164.2-69.7000114.5
2062D50.9Low73.4Confident144 Ų14467.8 Ų67.877%0.7738%0.375SS*.THydrogen-bonded Turntrans-93.5-14.9-177.1-56-38.9000113.6N2060 A2064N2060-D2062 PolarHBondContact O-N 3.03Å; D2062-A2064 PolarHBondContact O-N 3.42Å
2063N55.2Low73.1Confident81 Ų8170.1 Ų70.143%0.43339%0.386SS..  trans-88.2103.7-175.7-71.18.1000111.1N2060 E2065N2060-N2063 PolarHBondContact O-N 3.43Å; N2063-E2065 PolarHBondContact O-N 3.13Å
2064A62.5Low72.8Confident57 Ų5770 Ų7047%0.47139%0.387SS..THydrogen-bonded Turntrans-70.59.1-173.700000116.3D2062 R2115D2062-A2064 PolarHBondContact O-N 3.42Å; A2064-R2115 PolarHBondContact O-NH1 3.39Å
2065E72.5Confident72.6Confident20 Ų2072.5 Ų72.59%0.09341%0.408CS..THydrogen-bonded Turntrans-82.9-39.6-172-61.8-173.616400113.7A2056 Q2057 N2063 R2115 R2117A2056-E2065 HydrophobicContact CB-CB 4.26Å; Q2057-E2065 PolarHBondContact N-OE2 3.37Å; Q2057-E2065 VanDerWaalsContact N-OE2 3.13Å; N2063-E2065 PolarHBondContact O-N 3.13Å; E2065-R2115 PolarHBondContact O-N 2.97Å; E2065-R2117 IonicContact OE1-CZ 2.72Å; E2065-R2117 IonicContact OE1-NE 2.88Å; E2065-R2117 PolarHBondContact OE1-NE 2.69Å; E2065-R2117 IonicContact OE1-NH2 2.97Å; E2065-R2117 PolarHBondContact OE1-NH2 2.95Å; E2065-R2117 IonicContact OE2-NH2 2.74Å
2066L77.9Confident72.3Confident27 Ų2773.2 Ų73.214%0.14142%0.417CS..EExtended strand (participates in β ladder)trans-113108.3166.2-62.797.5000108.8P2036 V2039 A2056 L2112P2036-L2066 HydrophobicContact CG-CD2 4.17Å; V2039-L2066 HydrophobicContact CG2-CD2 3.86Å; A2056-L2066 HydrophobicContact CB-CD1 4.07Å; A2056-L2066 HydrophobicContact CB-CG 4.49Å; L2066-L2112 HydrophobicContact CB-CD1 4.43Å; L2066-L2112 HydrophobicContact CD2-CD2 3.76Å
2067G75.4Confident72.2Confident18 Ų1873.3 Ų73.319%0.18642%0.417CS..EExtended strand (participates in β ladder)trans-121.1137.2178.800000112I2113G2067-I2113 PolarHBondContact N-O 3.31Å; G2067-I2113 WeakPolarHBondContact O-CA 3.2Å; G2067-I2113 WeakPolarHBondContact O-CB 3.47Å; G2067-I2113 PolarHBondContact O-N 3.49Å
2068M80.9Confident72.7Confident98 Ų9871.1 Ų71.148%0.48341%0.409SS..EExtended strand (participates in β ladder)trans-63.9150.7169.5-67.3174.2-79.800110.9M2035 K2070M2035-M2068 HydrophobicContact CE-SD 4.04Å; M2068-K2070 PolarHBondContact O-N 3.44Å
2069I83.8Confident73.7Confident3 Ų374.4 Ų74.42%0.01542%0.415CS..PPolyproline II helixtrans-64.9133.6175.1-165.3165.4000110.5Q2073 L2074 I2111 I2113 I2281I2069-Q2073 HydrophobicContact CD1-CB 4.27Å; I2069-Q2073 HydrophobicContact CG1-CB 3.77Å; I2069-L2074 HydrophobicContact CD1-CB 4.11Å; I2069-L2074 HydrophobicContact CD1-CD1 4.46Å; I2069-L2074 HydrophobicContact CG1-CB 4.32Å; I2069-L2074 HydrophobicContact CG2-CB 4.24Å; I2069-I2111 HydrophobicContact CB-CB 4.3Å; I2069-I2111 HydrophobicContact CB-CG2 3.92Å; I2069-I2111 HydrophobicContact CD1-CG2 4.08Å; I2069-I2111 HydrophobicContact CG2-CB 3.64Å; I2069-I2111 HydrophobicContact CG2-CD1 4.38Å; I2069-I2111 HydrophobicContact CG2-CG2 3.76Å; I2069-I2111 PolarHBondContact N-O 3.5Å; I2069-I2113 HydrophobicContact CB-CD1 4.32Å; I2069-I2113 HydrophobicContact CB-CG1 4.45Å; I2069-I2113 HydrophobicContact CG1-CD1 4.24Å; I2069-I2281 HydrophobicContact CD1-CD1 3.92Å
2070K83.2Confident74.9Confident136 Ų13669.5 Ų69.559%0.59138%0.381SS*.PPolyproline II helixtrans-69.7146.1173.8-66.8-172.6176.3-172.80110.3M2068 D2072 Q2073 L2074M2068-K2070 PolarHBondContact O-N 3.44Å; K2070-D2072 PolarHBondContact O-N 2.99Å; K2070-Q2073 HydrophobicContact CB-CB 4.37Å; K2070-Q2073 HydrophobicContact CB-CG 4.12Å; K2070-Q2073 WeakPolarHBondContact O-CB 3.48Å; K2070-Q2073 PolarHBondContact O-N 3.27Å; K2070-L2074 PolarHBondContact O-N 3.17Å
2071P84.7Confident76.2Confident85 Ų8564.2 Ų64.255%0.55235%0.353SS*.Hα-helixtrans-56-36.9178.521.9-33.2000112.4Q2073 L2074 A2075P2071-Q2073 PolarHBondContact O-N 3.15Å; P2071-L2074 PolarHBondContact O-N 3.35Å; P2071-A2075 WeakPolarHBondContact O-CB 3.46Å; P2071-A2075 PolarHBondContact O-N 3.49Å
2072D81.6Confident77.7Confident124 Ų12457.7 Ų57.766%0.66333%0.327SS*.Hα-helixtrans-65.3-37.9176.5-46.5-37.5000112.5K2070 A2075 S2076K2070-D2072 PolarHBondContact O-N 2.99Å; D2072-A2075 PolarHBondContact O-N 2.94Å; D2072-S2076 WeakPolarHBondContact O-CB 3.37Å; D2072-S2076 PolarHBondContact O-N 3.38Å
2073Q82Confident78.8Confident50 Ų5055.8 Ų55.823%0.23432%0.316CS..Hα-helixtrans-69.3-44.3177-69.3175.8-42.100110.4I2069 K2070 P2071 A2075 S2076 L2077I2069-Q2073 HydrophobicContact CD1-CB 4.27Å; I2069-Q2073 HydrophobicContact CG1-CB 3.77Å; K2070-Q2073 HydrophobicContact CB-CB 4.37Å; K2070-Q2073 HydrophobicContact CB-CG 4.12Å; K2070-Q2073 WeakPolarHBondContact O-CB 3.48Å; K2070-Q2073 PolarHBondContact O-N 3.27Å; P2071-Q2073 PolarHBondContact O-N 3.15Å; Q2073-A2075 VanDerWaalsContact C-N 3.33Å; Q2073-A2075 PolarHBondContact O-N 3.22Å; Q2073-S2076 PolarHBondContact O-N 3.1Å; Q2073-S2076 PolarHBondContact O-OG 3.43Å; Q2073-L2077 WeakPolarHBondContact O-CB 3.47Å; Q2073-L2077 PolarHBondContact O-N 2.65Å
2074L84.9Confident79.3Confident32 Ų3252.6 Ų52.617%0.16830%0.301CS..Hα-helixtrans-61.3-40.4173.9-178.659000111.9I2069 K2070 P2071 L2077 N2078 L2103 I2111I2069-L2074 HydrophobicContact CD1-CB 4.11Å; I2069-L2074 HydrophobicContact CD1-CD1 4.46Å; I2069-L2074 HydrophobicContact CG1-CB 4.32Å; I2069-L2074 HydrophobicContact CG2-CB 4.24Å; K2070-L2074 PolarHBondContact O-N 3.17Å; P2071-L2074 PolarHBondContact O-N 3.35Å; L2074-L2077 PolarHBondContact O-N 2.78Å; L2074-N2078 VanDerWaalsContact O-CB 3.23Å; L2074-N2078 WeakPolarHBondContact O-CB 3.31Å; L2074-N2078 PolarHBondContact O-N 3.44Å; L2074-L2103 HydrophobicContact CD1-CD1 3.68Å; L2074-L2103 HydrophobicContact CD1-CD2 4.11Å; L2074-L2103 HydrophobicContact CD1-CG 3.98Å; L2074-I2111 HydrophobicContact CD1-CD1 3.69Å; L2074-I2111 HydrophobicContact CD2-CD1 4.46Å
2075A83.6Confident79.8Confident55 Ų5554.9 Ų54.946%0.45530%0.298SS..Hα-helixtrans-62.7-42.8173.900000111.8P2071 D2072 Q2073 N2078 Q2079P2071-A2075 WeakPolarHBondContact O-CB 3.46Å; P2071-A2075 PolarHBondContact O-N 3.49Å; D2072-A2075 PolarHBondContact O-N 2.94Å; Q2073-A2075 VanDerWaalsContact C-N 3.33Å; Q2073-A2075 PolarHBondContact O-N 3.22Å; A2075-N2078 PolarHBondContact O-N 3.4Å; A2075-Q2079 WeakPolarHBondContact O-CB 3.48Å; A2075-Q2079 PolarHBondContact O-N 2.91Å
2076S81.2Confident79.6Confident52 Ų5256.1 Ų56.136%0.36431%0.307SS..Hα-helixtrans-65.5-39.4177.274.70000113.2D2072 Q2073 Q2079 A2080D2072-S2076 WeakPolarHBondContact O-CB 3.37Å; D2072-S2076 PolarHBondContact O-N 3.38Å; Q2073-S2076 PolarHBondContact O-N 3.1Å; Q2073-S2076 PolarHBondContact O-OG 3.43Å; S2076-Q2079 PolarHBondContact O-N 3.46Å; S2076-A2080 WeakPolarHBondContact O-CB 3.29Å; S2076-A2080 PolarHBondContact O-N 3.43Å
2077L83.2Confident79Confident2 Ų260.3 Ų60.31%0.0133%0.334CS..Hα-helixtrans-67.5-44.2175.4179.463.6000111.5Q2073 L2074 Q2079 A2080 L2081 L2103 F2205Q2073-L2077 WeakPolarHBondContact O-CB 3.47Å; Q2073-L2077 PolarHBondContact O-N 2.65Å; L2074-L2077 PolarHBondContact O-N 2.78Å; L2077-Q2079 VanDerWaalsContact C-N 3.32Å; L2077-Q2079 PolarHBondContact O-N 3.4Å; L2077-A2080 PolarHBondContact O-N 2.99Å; L2077-L2081 HydrophobicContact CD1-CD1 4.22Å; L2077-L2081 HydrophobicContact CD1-CG 4.48Å; L2077-L2081 HydrophobicContact CG-CD1 4.22Å; L2077-L2081 WeakPolarHBondContact O-CG 3.33Å; L2077-L2081 PolarHBondContact O-N 2.72Å; L2077-L2103 HydrophobicContact CD2-CD1 4.11Å; L2077-L2103 HydrophobicContact CG-CD2 4.36Å; L2077-F2205 HydrophobicContact CD1-CE1 4.35Å; L2077-F2205 HydrophobicContact CD1-CZ 4.07Å; L2077-F2205 HydrophobicContact CD2-CE1 4.28Å
2078N85.9Confident78.6Confident51 Ų5170.8 Ų70.827%0.27337%0.368SS..Hα-helixtrans-61.8-40.7175.1-175.534000111.5L2074 A2075 T2082 L2103L2074-N2078 VanDerWaalsContact O-CB 3.23Å; L2074-N2078 WeakPolarHBondContact O-CB 3.31Å; L2074-N2078 PolarHBondContact O-N 3.44Å; A2075-N2078 PolarHBondContact O-N 3.4Å; N2078-T2082 VanDerWaalsContact O-CB 3.28Å; N2078-T2082 WeakPolarHBondContact O-CB 3.46Å; N2078-T2082 PolarHBondContact O-N 3.41Å; N2078-T2082 PolarHBondContact O-OG1 3.4Å; N2078-L2103 HydrophobicContact CB-CD2 3.6Å
2079Q83.1Confident78.1Confident104 Ų10468.3 Ų68.349%0.48636%0.356SS..Hα-helixtrans-63.7-47.5173.4-176.8173.85.900111.1A2075 S2076 L2077 L2081 T2082 D2083A2075-Q2079 WeakPolarHBondContact O-CB 3.48Å; A2075-Q2079 PolarHBondContact O-N 2.91Å; S2076-Q2079 PolarHBondContact O-N 3.46Å; L2077-Q2079 VanDerWaalsContact C-N 3.32Å; L2077-Q2079 PolarHBondContact O-N 3.4Å; Q2079-L2081 VanDerWaalsContact C-N 3.32Å; Q2079-L2081 PolarHBondContact O-N 3.08Å; Q2079-T2082 CarbonylContact O-C 3.36Å; Q2079-T2082 WeakPolarHBondContact O-CB 3.46Å; Q2079-T2082 PolarHBondContact O-N 3.39Å; Q2079-T2082 VanDerWaalsContact O-N 3.09Å; Q2079-D2083 WeakPolarHBondContact O-CB 3.38Å; Q2079-D2083 VanDerWaalsContact O-CG 3.29Å; Q2079-D2083 PolarHBondContact O-N 3.1Å
2080A78Confident77.7Confident14 Ų1473.3 Ų73.312%0.11639%0.387CS..Hα-helixtrans-59.9-39.3179.100000113S2076 L2077 D2083 S2084 K2278 L2279S2076-A2080 WeakPolarHBondContact O-CB 3.29Å; S2076-A2080 PolarHBondContact O-N 3.43Å; L2077-A2080 PolarHBondContact O-N 2.99Å; A2080-D2083 PolarHBondContact O-N 3.31Å; A2080-S2084 WeakPolarHBondContact O-CB 3.38Å; A2080-S2084 PolarHBondContact O-N 3.03Å; A2080-S2084 PolarHBondContact O-OG 3.33Å; A2080-K2278 HydrophobicContact CB-CB 4.35Å; A2080-K2278 WeakPolarHBondContact CB-O 3.33Å; A2080-L2279 HydrophobicContact CB-CD1 4.11Å
2081L80Confident77.2Confident0 Ų071.2 Ų71.20%038%0.383CS..Hα-helixtrans-76.5-24175.5-68.5170.5000113.6L2077 Q2079 S2084 S2096 V2100 L2103 I2220 L2279L2077-L2081 HydrophobicContact CD1-CD1 4.22Å; L2077-L2081 HydrophobicContact CD1-CG 4.48Å; L2077-L2081 HydrophobicContact CG-CD1 4.22Å; L2077-L2081 WeakPolarHBondContact O-CG 3.33Å; L2077-L2081 PolarHBondContact O-N 2.72Å; Q2079-L2081 VanDerWaalsContact C-N 3.32Å; Q2079-L2081 PolarHBondContact O-N 3.08Å; L2081-S2084 WeakPolarHBondContact CA-OG 3.32Å; L2081-S2084 PolarHBondContact O-OG 2.83Å; L2081-S2096 PolarHBondContact O-OG 3.12Å; L2081-V2100 HydrophobicContact CB-CG2 4.21Å; L2081-L2103 HydrophobicContact CD1-CD2 4.26Å; L2081-I2220 HydrophobicContact CD1-CG1 4.47Å; L2081-I2220 HydrophobicContact CD2-CG2 4.41Å; L2081-L2279 HydrophobicContact CD2-CD1 3.82Å; L2081-L2279 HydrophobicContact CG-CD1 4.28Å
2082T80.6Confident76.6Confident59 Ų5967.2 Ų67.236%0.36236%0.357SS..Hα-helixtrans-76.3-32.9171.3-600000111.2N2078 Q2079 Y2085 V2100N2078-T2082 VanDerWaalsContact O-CB 3.28Å; N2078-T2082 WeakPolarHBondContact O-CB 3.46Å; N2078-T2082 PolarHBondContact O-N 3.41Å; N2078-T2082 PolarHBondContact O-OG1 3.4Å; Q2079-T2082 CarbonylContact O-C 3.36Å; Q2079-T2082 WeakPolarHBondContact O-CB 3.46Å; Q2079-T2082 PolarHBondContact O-N 3.39Å; Q2079-T2082 VanDerWaalsContact O-N 3.09Å; T2082-Y2085 WeakPolarHBondContact O-CD1 3.49Å; T2082-Y2085 WeakPolarHBondContact O-CE1 3.21Å; T2082-V2100 WeakPolarHBondContact OG1-CG2 3.46Å
2083D75.1Confident76.5Confident103 Ų10363.7 Ų63.755%0.55134%0.337SS*.Hα-helixtrans-83.7-17.6178.4-67.1-17.4000112.4Q2079 A2080 Y2085Q2079-D2083 WeakPolarHBondContact O-CB 3.38Å; Q2079-D2083 VanDerWaalsContact O-CG 3.29Å; Q2079-D2083 PolarHBondContact O-N 3.1Å; A2080-D2083 PolarHBondContact O-N 3.31Å; D2083-Y2085 VanDerWaalsContact C-N 3.32Å; D2083-Y2085 PolarHBondContact O-N 2.99Å; D2083-Y2085 VanDerWaalsContact O-N 3.08Å
2084S65.9Low76.5Confident14 Ų1466.1 Ų66.110%0.09835%0.351CS..  trans-8367.1176.171.30000112.7A2080 L2081 S2096 D2227A2080-S2084 WeakPolarHBondContact O-CB 3.38Å; A2080-S2084 PolarHBondContact O-N 3.03Å; A2080-S2084 PolarHBondContact O-OG 3.33Å; L2081-S2084 WeakPolarHBondContact CA-OG 3.32Å; L2081-S2084 PolarHBondContact O-OG 2.83Å; S2084-S2096 WeakPolarHBondContact O-CB 3.41Å; S2084-D2227 VanDerWaalsContact CA-OD2 3.28Å; S2084-D2227 WeakPolarHBondContact CA-OD2 3.29Å
2085Y71.6Confident76.2Confident106 Ų10666.5 Ų66.542%0.41635%0.35SS..  trans-140.5146.7159.968.7-84.3000112.2T2082 D2083 T2087 I2093 D2227T2082-Y2085 WeakPolarHBondContact O-CD1 3.49Å; T2082-Y2085 WeakPolarHBondContact O-CE1 3.21Å; D2083-Y2085 VanDerWaalsContact C-N 3.32Å; D2083-Y2085 PolarHBondContact O-N 2.99Å; D2083-Y2085 VanDerWaalsContact O-N 3.08Å; Y2085-T2087 HydrophobicContact CE2-CG2 3.88Å; Y2085-I2093 HydrophobicContact CD2-CD1 4.47Å; Y2085-I2093 HydrophobicContact CD2-CG1 3.7Å; Y2085-I2093 HydrophobicContact CE2-CG1 4.43Å; Y2085-I2093 HydrophobicContact CG-CG1 4.28Å; Y2085-D2227 WeakPolarHBondContact CA-OD1 3.49Å; Y2085-D2227 WeakPolarHBondContact CA-OD2 3.15Å; Y2085-D2227 PolarHBondContact N-OD2 3.22Å; Y2085-D2227 VanDerWaalsContact N-OD2 3.16Å
2086T69.4Low76.1Confident45 Ų4564.2 Ų64.228%0.27633%0.331SS..  trans-85.1114.8172.3-57.70000110.4R2088 D2089 S2092 D2227 G2228T2086-R2088 PolarHBondContact O-N 3.46Å; T2086-D2089 HydrophobicContact CG2-CB 4.42Å; T2086-D2089 PolarHBondContact O-N 3.12Å; T2086-S2092 WeakPolarHBondContact CA-OG 3.42Å; T2086-S2092 WeakPolarHBondContact CB-OG 3.49Å; T2086-S2092 PolarHBondContact N-OG 3.33Å; T2086-S2092 PolarHBondContact O-OG 3.41Å; T2086-D2227 PolarHBondContact N-OD1 3.05Å; T2086-D2227 PolarHBondContact OG1-OD1 3.26Å; T2086-G2228 WeakPolarHBondContact OG1-CA 3.27Å
2087T65.9Low76.2Confident116 Ų11670.1 Ų70.171%0.71235%0.345SS*.THydrogen-bonded Turntrans-55.6-15-175.854.50000116.1Y2085Y2085-T2087 HydrophobicContact CE2-CG2 3.88Å
2088R67.1Low76.2Confident238 Ų23874.1 Ų74.190%0.89837%0.365SS*.THydrogen-bonded Turntrans-99.9-20.3176.1-73.1-176.7173.8174.6-1.6115.4T2086T2086-R2088 PolarHBondContact O-N 3.46Å
2089D68.8Low76.1Confident45 Ų4571.7 Ų71.724%0.24135%0.352CS..  trans-101.8111-176.5176.623.6000110.3T2086 N2091 S2092 I2093 R2095T2086-D2089 HydrophobicContact CG2-CB 4.42Å; T2086-D2089 PolarHBondContact O-N 3.12Å; D2089-N2091 PolarHBondContact O-N 2.67Å; D2089-N2091 VanDerWaalsContact OD1-CB 3.31Å; D2089-N2091 WeakPolarHBondContact OD1-CB 3.48Å; D2089-N2091 PolarHBondContact OD1-N 2.93Å; D2089-N2091 PolarHBondContact OD1-ND2 2.92Å; D2089-S2092 WeakPolarHBondContact O-CB 3.43Å; D2089-S2092 PolarHBondContact O-N 3.43Å; D2089-S2092 PolarHBondContact O-OG 3.29Å; D2089-S2092 PolarHBondContact OD2-N 3.11Å; D2089-I2093 PolarHBondContact O-N 3.08Å; D2089-R2095 IonicContact OD2-CZ 3.87Å; D2089-R2095 IonicContact OD2-NH1 3.36Å; D2089-R2095 IonicContact OD2-NH2 2.67Å; D2089-R2095 PolarHBondContact OD2-NH2 3.45Å
2090T76.7Confident76.3Confident109 Ų10967.6 Ų67.667%0.66933%0.334SS*.Hα-helixtrans-58.8-30.5175.948.60000112.2I2093 L2094T2090-I2093 PolarHBondContact O-N 3.33Å; T2090-L2094 WeakPolarHBondContact O-CB 3.19Å; T2090-L2094 PolarHBondContact O-N 3.1Å
2091N72.3Confident76.6Confident92 Ų9270.9 Ų70.949%0.49236%0.356SS..Hα-helixtrans-70.8-37.1176.6-53.6-68.3000111D2089 L2094 R2095D2089-N2091 PolarHBondContact O-N 2.67Å; D2089-N2091 VanDerWaalsContact OD1-CB 3.31Å; D2089-N2091 WeakPolarHBondContact OD1-CB 3.48Å; D2089-N2091 PolarHBondContact OD1-N 2.93Å; D2089-N2091 PolarHBondContact OD1-ND2 2.92Å; N2091-L2094 CarbonylContact O-C 3.59Å; N2091-L2094 WeakPolarHBondContact O-CB 3.39Å; N2091-L2094 PolarHBondContact O-N 2.91Å; N2091-R2095 VanDerWaalsContact CB-NH1 3.27Å; N2091-R2095 WeakPolarHBondContact O-CB 3.46Å; N2091-R2095 VanDerWaalsContact O-CG 3.26Å; N2091-R2095 WeakPolarHBondContact O-CG 3.27Å; N2091-R2095 PolarHBondContact O-N 3.34Å
2092S72Confident77Confident1 Ų173.2 Ų73.21%0.00737%0.365CS..Hα-helixtrans-64-40.9173.877.10000112.7T2086 D2089 L2094 R2095 S2096 D2227T2086-S2092 WeakPolarHBondContact CA-OG 3.42Å; T2086-S2092 WeakPolarHBondContact CB-OG 3.49Å; T2086-S2092 PolarHBondContact N-OG 3.33Å; T2086-S2092 PolarHBondContact O-OG 3.41Å; D2089-S2092 WeakPolarHBondContact O-CB 3.43Å; D2089-S2092 PolarHBondContact O-N 3.43Å; D2089-S2092 PolarHBondContact O-OG 3.29Å; D2089-S2092 PolarHBondContact OD2-N 3.11Å; S2092-L2094 VanDerWaalsContact C-N 3.3Å; S2092-L2094 PolarHBondContact O-N 3.34Å; S2092-R2095 PolarHBondContact O-N 3.1Å; S2092-S2096 PolarHBondContact O-N 3.04Å; S2092-D2227 VanDerWaalsContact CB-OD1 3.32Å; S2092-D2227 WeakPolarHBondContact CB-OD1 3.42Å
2093I78.8Confident77.2Confident50 Ų5070.7 Ų70.726%0.25635%0.35SS..Hα-helixtrans-63.2-39.9174.2-61.2171.3000110.1Y2085 D2089 T2090 R2097Y2085-I2093 HydrophobicContact CD2-CD1 4.47Å; Y2085-I2093 HydrophobicContact CD2-CG1 3.7Å; Y2085-I2093 HydrophobicContact CE2-CG1 4.43Å; Y2085-I2093 HydrophobicContact CG-CG1 4.28Å; D2089-I2093 PolarHBondContact O-N 3.08Å; T2090-I2093 PolarHBondContact O-N 3.33Å; I2093-R2097 VanDerWaalsContact O-CB 3.31Å; I2093-R2097 WeakPolarHBondContact O-CB 3.33Å; I2093-R2097 WeakPolarHBondContact O-CG 3.35Å; I2093-R2097 PolarHBondContact O-N 3.3Å
2094L81.4Confident77.7Confident101 Ų10173.3 Ų73.353%0.52936%0.356SS..Hα-helixtrans-64.2-45.8174.2-164.297.5000111.2T2090 N2091 S2092 R2097 M2098T2090-L2094 WeakPolarHBondContact O-CB 3.19Å; T2090-L2094 PolarHBondContact O-N 3.1Å; N2091-L2094 CarbonylContact O-C 3.59Å; N2091-L2094 WeakPolarHBondContact O-CB 3.39Å; N2091-L2094 PolarHBondContact O-N 2.91Å; S2092-L2094 VanDerWaalsContact C-N 3.3Å; S2092-L2094 PolarHBondContact O-N 3.34Å; L2094-R2097 PolarHBondContact O-N 2.89Å; L2094-M2098 HydrophobicContact CD2-CE 3.92Å; L2094-M2098 HydrophobicContact CD2-SD 4.19Å; L2094-M2098 HydrophobicContact CG-CE 4.31Å; L2094-M2098 HydrophobicContact CG-SD 4.47Å; L2094-M2098 WeakPolarHBondContact O-CB 3.26Å; L2094-M2098 VanDerWaalsContact O-CG 3.28Å; L2094-M2098 WeakPolarHBondContact O-CG 3.44Å; L2094-M2098 PolarHBondContact O-N 3.39Å
2095R80.4Confident78.4Confident40 Ų4075.6 Ų75.615%0.15138%0.382CS..Hα-helixtrans-58.7-50.4177-73.4-174.4-63.1-95.63.3111.4D2089 N2091 S2092 M2098 S2099 N2222 T2223 N2226D2089-R2095 IonicContact OD2-CZ 3.87Å; D2089-R2095 IonicContact OD2-NH1 3.36Å; D2089-R2095 IonicContact OD2-NH2 2.67Å; D2089-R2095 PolarHBondContact OD2-NH2 3.45Å; N2091-R2095 VanDerWaalsContact CB-NH1 3.27Å; N2091-R2095 WeakPolarHBondContact O-CB 3.46Å; N2091-R2095 VanDerWaalsContact O-CG 3.26Å; N2091-R2095 WeakPolarHBondContact O-CG 3.27Å; N2091-R2095 PolarHBondContact O-N 3.34Å; S2092-R2095 PolarHBondContact O-N 3.1Å; R2095-M2098 HydrophobicContact CG-CE 4.32Å; R2095-M2098 PolarHBondContact O-N 2.87Å; R2095-S2099 PolarHBondContact O-N 3.28Å; R2095-S2099 PolarHBondContact O-OG 2.97Å; R2095-N2222 WeakPolarHBondContact CD-O 3.33Å; R2095-T2223 HydrophobicContact CB-CG2 3.7Å; R2095-T2223 VanDerWaalsContact O-CG2 3.26Å; R2095-T2223 WeakPolarHBondContact O-CG2 3.33Å; R2095-N2226 PolarHBondContact NH2-O 3.03Å
2096S80.9Confident79Confident7 Ų772.1 Ų72.15%0.04937%0.368CS..Hα-helixtrans-58-49.1174.6171.60000111.8L2081 S2084 S2092 M2098 S2099 V2100L2081-S2096 PolarHBondContact O-OG 3.12Å; S2084-S2096 WeakPolarHBondContact O-CB 3.41Å; S2092-S2096 PolarHBondContact O-N 3.04Å; S2096-M2098 VanDerWaalsContact C-N 3.33Å; S2096-M2098 PolarHBondContact O-N 3.46Å; S2096-S2099 PolarHBondContact O-N 3.09Å; S2096-S2099 VanDerWaalsContact O-N 3.08Å; S2096-V2100 WeakPolarHBondContact O-CG2 3.33Å; S2096-V2100 PolarHBondContact O-N 3.35Å
2097R83.9Confident79.6Confident176 Ų17672.6 Ų72.666%0.66437%0.371SS*.Hα-helixtrans-61-38.6177.2-75.4174.9179.2-174.10.6113I2093 L2094 S2099 S2101I2093-R2097 VanDerWaalsContact O-CB 3.31Å; I2093-R2097 WeakPolarHBondContact O-CB 3.33Å; I2093-R2097 WeakPolarHBondContact O-CG 3.35Å; I2093-R2097 PolarHBondContact O-N 3.3Å; L2094-R2097 PolarHBondContact O-N 2.89Å; R2097-S2099 VanDerWaalsContact C-N 3.35Å; R2097-S2101 WeakPolarHBondContact O-CB 3.45Å; R2097-S2101 PolarHBondContact O-N 2.83Å
2098M83.5Confident80.4Confident85 Ų8572.3 Ų72.342%0.41936%0.358SS..Hα-helixtrans-65.7-38.5174.3-73.6-173.8-56.600111.4L2094 R2095 S2096 S2101 Y2102L2094-M2098 HydrophobicContact CD2-CE 3.92Å; L2094-M2098 HydrophobicContact CD2-SD 4.19Å; L2094-M2098 HydrophobicContact CG-CE 4.31Å; L2094-M2098 HydrophobicContact CG-SD 4.47Å; L2094-M2098 WeakPolarHBondContact O-CB 3.26Å; L2094-M2098 VanDerWaalsContact O-CG 3.28Å; L2094-M2098 WeakPolarHBondContact O-CG 3.44Å; L2094-M2098 PolarHBondContact O-N 3.39Å; R2095-M2098 HydrophobicContact CG-CE 4.32Å; R2095-M2098 PolarHBondContact O-N 2.87Å; S2096-M2098 VanDerWaalsContact C-N 3.33Å; S2096-M2098 PolarHBondContact O-N 3.46Å; M2098-S2101 PolarHBondContact O-N 3.5Å; M2098-Y2102 WeakPolarHBondContact O-CB 3.46Å; M2098-Y2102 PolarHBondContact O-N 3Å
2099S83.1Confident81Confident0 Ų064.8 Ų64.80%033%0.333CS..Hα-helixtrans-71.2-44.4178.9-53.60000112.1R2095 S2096 R2097 S2101 Y2102 L2103 S2219 T2223R2095-S2099 PolarHBondContact O-N 3.28Å; R2095-S2099 PolarHBondContact O-OG 2.97Å; S2096-S2099 PolarHBondContact O-N 3.09Å; S2096-S2099 VanDerWaalsContact O-N 3.08Å; R2097-S2099 VanDerWaalsContact C-N 3.35Å; S2099-S2101 VanDerWaalsContact C-N 3.35Å; S2099-Y2102 PolarHBondContact O-N 3.35Å; S2099-L2103 WeakPolarHBondContact O-CB 3.36Å; S2099-L2103 PolarHBondContact O-N 3.23Å; S2099-S2219 VanDerWaalsContact OG-C 3.25Å; S2099-S2219 PolarHBondContact OG-O 3.29Å; S2099-T2223 WeakPolarHBondContact OG-CG2 3.38Å; S2099-T2223 PolarHBondContact OG-OG1 3.31Å
2100V86Confident81.7Confident19 Ų1962.9 Ų62.912%0.11532%0.323CS..Hα-helixtrans-65.4-371731730000111.4L2081 T2082 S2096 K2104L2081-V2100 HydrophobicContact CB-CG2 4.21Å; T2082-V2100 WeakPolarHBondContact OG1-CG2 3.46Å; S2096-V2100 WeakPolarHBondContact O-CG2 3.33Å; S2096-V2100 PolarHBondContact O-N 3.35Å; V2100-K2104 HydrophobicContact CG1-CD 4.27Å; V2100-K2104 WeakPolarHBondContact O-CB 3.29Å; V2100-K2104 VanDerWaalsContact O-CG 3.27Å; V2100-K2104 WeakPolarHBondContact O-CG 3.29Å; V2100-K2104 PolarHBondContact O-N 2.93Å
2101S85.4Confident82.2Confident83 Ų8357.7 Ų57.758%0.5829%0.291SS*.Hα-helixtrans-70.4-34174.8-170.20000112.6R2097 M2098 S2099 G2105R2097-S2101 WeakPolarHBondContact O-CB 3.45Å; R2097-S2101 PolarHBondContact O-N 2.83Å; M2098-S2101 PolarHBondContact O-N 3.5Å; S2099-S2101 VanDerWaalsContact C-N 3.35Å; S2101-G2105 PolarHBondContact O-N 3.31Å
2102Y87.5Confident82.9Confident48 Ų4853.8 Ų53.819%0.18827%0.27CS..Hα-helixtrans-68-47.8174.6-177.3-87.6000110.1M2098 S2099 K2104 G2105 Y2106 Q2207 P2217 S2219 I2220 F2299M2098-Y2102 WeakPolarHBondContact O-CB 3.46Å; M2098-Y2102 PolarHBondContact O-N 3Å; S2099-Y2102 PolarHBondContact O-N 3.35Å; Y2102-K2104 VanDerWaalsContact C-N 3.3Å; Y2102-K2104 PolarHBondContact O-N 3.47Å; Y2102-G2105 PolarHBondContact O-N 3.44Å; Y2102-Y2106 HydrophobicContact CD1-CE2 4.16Å; Y2102-Y2106 HydrophobicContact CE1-CD2 4.44Å; Y2102-Y2106 AromaticContact CE1-CE2 3.7Å; Y2102-Y2106 HydrophobicContact CE1-CE2 3.7Å; Y2102-Y2106 HydrophobicContact CE2-CE2 4.32Å; Y2102-Y2106 AromaticContact CZ-CE2 3.78Å; Y2102-Y2106 WeakPolarHBondContact O-CD2 3.33Å; Y2102-Y2106 PolarHBondContact OH-OH 3.07Å; Y2102-Q2207 PolarHBondContact OH-OE1 2.9Å; Y2102-P2217 HydrophobicContact CE1-CB 3.68Å; Y2102-S2219 WeakPolarHBondContact CB-OG 3.48Å; Y2102-S2219 WeakPolarHBondContact CD2-OG 3.35Å; Y2102-I2220 HydrophobicContact CD1-CD1 3.97Å; Y2102-I2220 HydrophobicContact CD1-CG1 4.25Å; Y2102-I2220 HydrophobicContact CE1-CD1 4.16Å; Y2102-F2299 HydrophobicContact CE1-CD1 4.49Å; Y2102-F2299 HydrophobicContact CE1-CD2 4.45Å; Y2102-F2299 HydrophobicContact CE1-CG 4.4Å
2103L86.5Confident83.7Confident7 Ų753.8 Ų53.84%0.03727%0.27CS..Hα-helixtrans-60.2-38.5176.8-170.265.5000112.4L2074 L2077 N2078 L2081 S2099 G2105 Y2106 I2111 F2299L2074-L2103 HydrophobicContact CD1-CD1 3.68Å; L2074-L2103 HydrophobicContact CD1-CD2 4.11Å; L2074-L2103 HydrophobicContact CD1-CG 3.98Å; L2077-L2103 HydrophobicContact CD2-CD1 4.11Å; L2077-L2103 HydrophobicContact CG-CD2 4.36Å; N2078-L2103 HydrophobicContact CB-CD2 3.6Å; L2081-L2103 HydrophobicContact CD1-CD2 4.26Å; S2099-L2103 WeakPolarHBondContact O-CB 3.36Å; S2099-L2103 PolarHBondContact O-N 3.23Å; L2103-G2105 PolarHBondContact O-N 2.76Å; L2103-Y2106 PolarHBondContact O-N 3.49Å; L2103-I2111 HydrophobicContact CD1-CD1 4.13Å; L2103-F2299 HydrophobicContact CD1-CE1 3.88Å; L2103-F2299 HydrophobicContact CD1-CZ 4.37Å
2104K85Confident84.1Confident158 Ų15851.4 Ų51.469%0.68726%0.257SS*.THydrogen-bonded Turntrans-68.4-8.8173.8-77.3178.5179.7-177.10114.9V2100 Y2102 Y2106V2100-K2104 HydrophobicContact CG1-CD 4.27Å; V2100-K2104 WeakPolarHBondContact O-CB 3.29Å; V2100-K2104 VanDerWaalsContact O-CG 3.27Å; V2100-K2104 WeakPolarHBondContact O-CG 3.29Å; V2100-K2104 PolarHBondContact O-N 2.93Å; Y2102-K2104 VanDerWaalsContact C-N 3.3Å; Y2102-K2104 PolarHBondContact O-N 3.47Å; K2104-Y2106 VanDerWaalsContact C-N 3.3Å
2105G81.4Confident84.3Confident62 Ų6248.7 Ų48.764%0.63924%0.24SC*.THydrogen-bonded Turntrans-76.6-15.9173.600000114S2101 Y2102 L2103S2101-G2105 PolarHBondContact O-N 3.31Å; Y2102-G2105 PolarHBondContact O-N 3.44Å; L2103-G2105 PolarHBondContact O-N 2.76Å
2106Y83Confident84.6Confident33 Ų3346.8 Ų46.813%0.12923%0.233CC..SBendtrans-120.4144.8-175.3-60.2-86.2000110.4Y2102 L2103 K2104 D2110 Q2207 F2299 D2301Y2102-Y2106 HydrophobicContact CD1-CE2 4.16Å; Y2102-Y2106 HydrophobicContact CE1-CD2 4.44Å; Y2102-Y2106 AromaticContact CE1-CE2 3.7Å; Y2102-Y2106 HydrophobicContact CE1-CE2 3.7Å; Y2102-Y2106 HydrophobicContact CE2-CE2 4.32Å; Y2102-Y2106 AromaticContact CZ-CE2 3.78Å; Y2102-Y2106 WeakPolarHBondContact O-CD2 3.33Å; Y2102-Y2106 PolarHBondContact OH-OH 3.07Å; L2103-Y2106 PolarHBondContact O-N 3.49Å; K2104-Y2106 VanDerWaalsContact C-N 3.3Å; Y2106-D2110 HydrophobicContact CD1-CB 3.93Å; Y2106-D2110 HydrophobicContact CG-CB 4.47Å; Y2106-Q2207 PolarHBondContact OH-NE2 3.48Å; Y2106-F2299 HydrophobicContact CD1-CB 4.34Å; Y2106-F2299 AromaticContact CD2-CD1 3.89Å; Y2106-F2299 HydrophobicContact CD2-CD1 3.89Å; Y2106-F2299 HydrophobicContact CE1-CB 4.02Å; Y2106-F2299 HydrophobicContact CE2-CB 4.3Å; Y2106-F2299 HydrophobicContact CE2-CD1 4.22Å; Y2106-F2299 HydrophobicContact CG-CD1 4.11Å; Y2106-D2301 PolarHBondContact OH-OD1 3.47Å
2107T81.2Confident84.8Confident54 Ų5451.2 Ų51.233%0.33125%0.249SC..  trans-87.7174.3168.774.80000110.9E2109 D2110 I2111 R2302T2107-E2109 PolarHBondContact O-N 2.96Å; T2107-E2109 PolarHBondContact OG1-N 3.27Å; T2107-D2110 PolarHBondContact N-OD2 3.2Å; T2107-D2110 PolarHBondContact O-N 2.9Å; T2107-D2110 PolarHBondContact OG1-OD2 3.1Å; T2107-I2111 WeakPolarHBondContact O-CG1 3.35Å; T2107-R2302 PolarHBondContact OG1-NH2 3.11Å
2108Y84.3Confident84.8Confident111 Ų11142.9 Ų42.944%0.43522%0.218SC..SBendtrans-63.8-19.8174.366.9-93.2000112.9
2109E79.4Confident84.9Confident80 Ų8040.9 Ų40.937%0.37421%0.207SC..SBendtrans-81.9-28.6177-55.3176.7164.900111.5I2033 T2107 I2111I2033-E2109 HydrophobicContact CD1-CB 3.57Å; T2107-E2109 PolarHBondContact O-N 2.96Å; T2107-E2109 PolarHBondContact OG1-N 3.27Å; E2109-I2111 VanDerWaalsContact C-N 3.26Å; E2109-I2111 PolarHBondContact O-N 2.92Å
2110D83.2Confident85.1Confident4 Ų441.6 Ų41.62%0.02121%0.212CC..SBendtrans-80.6-3.1176.4-55.8-62.6000112.5I2033 Y2106 T2107 I2300 R2302I2033-D2110 WeakPolarHBondContact CD1-OD1 3.39Å; I2033-D2110 WeakPolarHBondContact CG1-OD1 3.39Å; Y2106-D2110 HydrophobicContact CD1-CB 3.93Å; Y2106-D2110 HydrophobicContact CG-CB 4.47Å; T2107-D2110 PolarHBondContact N-OD2 3.2Å; T2107-D2110 PolarHBondContact O-N 2.9Å; T2107-D2110 PolarHBondContact OG1-OD2 3.1Å; D2110-I2300 PolarHBondContact O-N 3.28Å; D2110-R2302 VanDerWaalsContact OD1-CG 3.25Å; D2110-R2302 WeakPolarHBondContact OD1-CG 3.16Å; D2110-R2302 IonicContact OD1-CZ 2.58Å; D2110-R2302 IonicContact OD1-NE 3.74Å; D2110-R2302 PolarHBondContact OD1-NE 3.43Å; D2110-R2302 IonicContact OD1-NH2 2.79Å; D2110-R2302 PolarHBondContact OD1-NH2 2.9Å; D2110-R2302 IonicContact OD2-CZ 2.69Å; D2110-R2302 IonicContact OD2-NE 3.78Å; D2110-R2302 PolarHBondContact OD2-NE 2.89Å; D2110-R2302 IonicContact OD2-NH2 3.7Å; D2110-R2302 PolarHBondContact OD2-NH2 2.07Å
2111I88Confident85Confident0 Ų045.6 Ų45.60%023%0.229CC..EExtended strand (participates in β ladder)trans-119.4113.5-175.4-58169.6000110.6I2069 L2074 L2103 T2107 E2109 V2297 F2299I2069-I2111 HydrophobicContact CB-CB 4.3Å; I2069-I2111 HydrophobicContact CB-CG2 3.92Å; I2069-I2111 HydrophobicContact CD1-CG2 4.08Å; I2069-I2111 HydrophobicContact CG2-CB 3.64Å; I2069-I2111 HydrophobicContact CG2-CD1 4.38Å; I2069-I2111 HydrophobicContact CG2-CG2 3.76Å; I2069-I2111 PolarHBondContact N-O 3.5Å; L2074-I2111 HydrophobicContact CD1-CD1 3.69Å; L2074-I2111 HydrophobicContact CD2-CD1 4.46Å; L2103-I2111 HydrophobicContact CD1-CD1 4.13Å; T2107-I2111 WeakPolarHBondContact O-CG1 3.35Å; E2109-I2111 VanDerWaalsContact C-N 3.26Å; E2109-I2111 PolarHBondContact O-N 2.92Å; I2111-V2297 HydrophobicContact CG2-CG1 3.9Å; I2111-F2299 HydrophobicContact CD1-CD1 4.16Å; I2111-F2299 HydrophobicContact CD1-CE1 3.9Å; I2111-F2299 HydrophobicContact CG1-CD1 3.77Å; I2111-F2299 HydrophobicContact CG1-CE1 3.97Å; I2111-F2299 HydrophobicContact CG2-CE1 4.41Å
2112L86.2Confident84.8Confident11 Ų1145.3 Ų45.36%0.05822%0.221CC..EExtended strand (participates in β ladder)trans-106.7138.2-175.5-161.870.1000111.7P2036 L2066 V2114 V2297 G2298 I2300P2036-L2112 HydrophobicContact CG-CD2 3.55Å; L2066-L2112 HydrophobicContact CB-CD1 4.43Å; L2066-L2112 HydrophobicContact CD2-CD2 3.76Å; L2112-V2114 HydrophobicContact CD2-CG2 4.16Å; L2112-V2114 HydrophobicContact CG-CG2 4.45Å; L2112-V2297 CarbonylContact O-C 3.57Å; L2112-V2297 WeakPolarHBondContact O-CA 3.47Å; L2112-G2298 PolarHBondContact N-O 3.27Å; L2112-G2298 PolarHBondContact O-N 3.38Å; L2112-I2300 HydrophobicContact CB-CD1 4.05Å; L2112-I2300 HydrophobicContact CD2-CD1 4.21Å
2113I88.1Confident84.7Confident0 Ų049.9 Ų49.90%024%0.239CC..EExtended strand (participates in β ladder)trans-104.4111.7169.2-56175.4000107.3G2067 I2069 R2115 I2281 Q2295G2067-I2113 PolarHBondContact N-O 3.31Å; G2067-I2113 WeakPolarHBondContact O-CA 3.2Å; G2067-I2113 WeakPolarHBondContact O-CB 3.47Å; G2067-I2113 PolarHBondContact O-N 3.49Å; I2069-I2113 HydrophobicContact CB-CD1 4.32Å; I2069-I2113 HydrophobicContact CB-CG1 4.45Å; I2069-I2113 HydrophobicContact CG1-CD1 4.24Å; I2113-R2115 HydrophobicContact CG2-CG 4.21Å; I2113-I2281 HydrophobicContact CD1-CD1 4.41Å; I2113-I2281 HydrophobicContact CD1-CG2 4.46Å; I2113-Q2295 HydrophobicContact CG2-CG 3.6Å
2114V87.6Confident84.6Confident0 Ų050 Ų500%024%0.239CC..EExtended strand (participates in β ladder)trans-94.1129.3174.9-1720000108.6V2039 A2056 L2112 F2116 F2152 Q2295 V2296V2039-V2114 HydrophobicContact CB-CG1 3.99Å; V2039-V2114 HydrophobicContact CG1-CG1 4.17Å; V2039-V2114 HydrophobicContact CG2-CG1 4.31Å; V2039-V2114 HydrophobicContact CG2-CG2 4.17Å; A2056-V2114 HydrophobicContact CB-CG1 3.91Å; L2112-V2114 HydrophobicContact CD2-CG2 4.16Å; L2112-V2114 HydrophobicContact CG-CG2 4.45Å; V2114-F2116 HydrophobicContact CB-CE2 4.38Å; V2114-F2116 HydrophobicContact CB-CZ 4.39Å; V2114-F2116 HydrophobicContact CG1-CD1 4.46Å; V2114-F2116 HydrophobicContact CG1-CD2 4.38Å; V2114-F2116 HydrophobicContact CG1-CE1 3.82Å; V2114-F2116 HydrophobicContact CG1-CE2 3.73Å; V2114-F2116 HydrophobicContact CG1-CZ 3.4Å; V2114-F2116 VanDerWaalsContact CG1-CZ 3.4Å; V2114-F2152 HydrophobicContact CG2-CE1 4.04Å; V2114-F2152 HydrophobicContact CG2-CZ 4.32Å; V2114-Q2295 WeakPolarHBondContact O-CA 3.3Å; V2114-V2296 PolarHBondContact N-O 2.87Å; V2114-V2296 PolarHBondContact O-N 3.35Å
2115R86.8Confident84.4Confident44 Ų4446.3 Ų46.317%0.16623%0.231CC..EExtended strand (participates in β ladder)trans-122108.2179.7-58-173.2-175.3105.85.2110.1A2064 E2065 I2113 Y2293 Q2295A2064-R2115 PolarHBondContact O-NH1 3.39Å; E2065-R2115 PolarHBondContact O-N 2.97Å; I2113-R2115 HydrophobicContact CG2-CG 4.21Å; R2115-Y2293 HydrophobicContact CB-CD1 3.89Å; R2115-Y2293 HydrophobicContact CB-CE1 4.5Å; R2115-Y2293 HydrophobicContact CB-CG 4.05Å; R2115-Q2295 HydrophobicContact CG-CG 4.39Å
2116F86.9Confident84.4Confident1 Ų144.5 Ų44.50%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-87.8135.6172.8-53.1-78.1000109.6V2039 L2041 Y2052 M2054 A2056 V2114 L2150 Y2293 L2294 V2296V2039-F2116 HydrophobicContact CB-CE1 4.39Å; V2039-F2116 HydrophobicContact CB-CZ 4.42Å; V2039-F2116 HydrophobicContact CG1-CE1 4.16Å; V2039-F2116 HydrophobicContact CG1-CZ 3.81Å; L2041-F2116 HydrophobicContact CB-CD1 3.8Å; L2041-F2116 HydrophobicContact CB-CD2 4.32Å; L2041-F2116 HydrophobicContact CB-CE1 3.58Å; L2041-F2116 HydrophobicContact CB-CE2 4.14Å; L2041-F2116 HydrophobicContact CB-CG 4.17Å; L2041-F2116 HydrophobicContact CB-CZ 3.77Å; L2041-F2116 HydrophobicContact CD2-CD2 3.79Å; L2041-F2116 HydrophobicContact CD2-CE2 4.04Å; L2041-F2116 HydrophobicContact CD2-CG 4.07Å; Y2052-F2116 WeakPolarHBondContact OH-CB 3.48Å; M2054-F2116 HydrophobicContact CB-CB 4.37Å; M2054-F2116 HydrophobicContact CB-CD1 4.36Å; M2054-F2116 HydrophobicContact CG-CB 3.79Å; M2054-F2116 HydrophobicContact CG-CD1 4Å; M2054-F2116 HydrophobicContact CG-CG 4.41Å; A2056-F2116 HydrophobicContact CB-CD1 4.17Å; A2056-F2116 HydrophobicContact CB-CE1 4.14Å; V2114-F2116 HydrophobicContact CB-CE2 4.38Å; V2114-F2116 HydrophobicContact CB-CZ 4.39Å; V2114-F2116 HydrophobicContact CG1-CD1 4.46Å; V2114-F2116 HydrophobicContact CG1-CD2 4.38Å; V2114-F2116 HydrophobicContact CG1-CE1 3.82Å; V2114-F2116 HydrophobicContact CG1-CE2 3.73Å; V2114-F2116 HydrophobicContact CG1-CZ 3.4Å; V2114-F2116 VanDerWaalsContact CG1-CZ 3.4Å; F2116-L2150 HydrophobicContact CE1-CD1 4.48Å; F2116-L2150 HydrophobicContact CE2-CD1 4.23Å; F2116-L2150 HydrophobicContact CZ-CD1 3.61Å; F2116-Y2293 WeakPolarHBondContact O-CD1 3.27Å; F2116-L2294 HydrophobicContact CB-CB 4.13Å; F2116-L2294 HydrophobicContact CB-CD2 4.47Å; F2116-L2294 HydrophobicContact CB-CG 4.41Å; F2116-L2294 HydrophobicContact CD2-CG 4.32Å; F2116-L2294 WeakPolarHBondContact CD2-O 3.33Å; F2116-L2294 PolarHBondContact N-O 3.49Å; F2116-L2294 PolarHBondContact O-N 3.15Å; F2116-V2296 HydrophobicContact CE2-CB 4.3Å; F2116-V2296 HydrophobicContact CE2-CG2 3.97Å
2117R84.9Confident84.4Confident100 Ų10046 Ų4638%0.37722%0.221SC..  trans-65.4143.2177.9-48.4177.8-162.2136.617.7109.5Y2052 M2054 E2065 E2119 Y2293Y2052-R2117 WeakPolarHBondContact CE2-O 3.45Å; Y2052-R2117 PolarHBondContact OH-O 3.05Å; M2054-R2117 HydrophobicContact CE-CB 3.73Å; M2054-R2117 HydrophobicContact CE-CG 4.17Å; M2054-R2117 HydrophobicContact SD-CB 3.97Å; M2054-R2117 HydrophobicContact SD-CG 3.84Å; E2065-R2117 IonicContact OE1-CZ 2.72Å; E2065-R2117 IonicContact OE1-NE 2.88Å; E2065-R2117 PolarHBondContact OE1-NE 2.69Å; E2065-R2117 IonicContact OE1-NH2 2.97Å; E2065-R2117 PolarHBondContact OE1-NH2 2.95Å; E2065-R2117 IonicContact OE2-NH2 2.74Å; R2117-E2119 PolarHBondContact O-N 2.73Å; R2117-Y2293 HydrophobicContact CG-CE1 4.27Å
2118P83.8Confident84.4Confident1 Ų148.1 Ų48.11%0.00623%0.228CC..SBendtrans-67-21.9-177.324.9-31.9000113.5I2266 A2267 T2268 T2286 R2291 P2292P2118-I2266 HydrophobicContact CB-CG2 4.41Å; P2118-I2266 CarbonylContact O-C 3.56Å; P2118-I2266 WeakPolarHBondContact O-CA 3.37Å; P2118-A2267 WeakPolarHBondContact CA-O 3.27Å; P2118-A2267 PolarHBondContact O-N 2.89Å; P2118-T2268 HydrophobicContact CB-CG2 4.48Å; P2118-T2286 VanDerWaalsContact CD-CG2 3.44Å; P2118-T2286 HydrophobicContact CG-CG2 3.87Å; P2118-R2291 HydrophobicContact CB-CB 4.2Å; P2118-R2291 HydrophobicContact CG-CB 3.62Å; P2118-P2292 WeakPolarHBondContact CB-O 3.04Å
2119E85Confident84.4Confident43 Ų4349 Ų4920%0.20124%0.24CC..BIsolated β-bridgetrans-93.4131.2178.6-69.1157.2-156.500109.7M2054 R2117 M2264 I2266 S2289 R2291M2054-E2119 WeakPolarHBondContact CE-O 3.36Å; R2117-E2119 PolarHBondContact O-N 2.73Å; E2119-M2264 HydrophobicContact CB-CE 3.75Å; E2119-M2264 HydrophobicContact CG-CE 3.61Å; E2119-I2266 HydrophobicContact CG-CG1 4.12Å; E2119-S2289 WeakPolarHBondContact OE1-CB 3.39Å; E2119-S2289 PolarHBondContact OE1-OG 3.01Å; E2119-R2291 IonicContact OE1-CZ 2.78Å; E2119-R2291 IonicContact OE1-NH1 2.61Å; E2119-R2291 PolarHBondContact OE1-NH1 3.42Å
2120S86.3Confident84.6Confident15 Ų1546.5 Ų46.511%0.10523%0.231CC..  trans-57.6136.9175.7-174.70000111.4E2053 I2122 W2265E2053-S2120 PolarHBondContact N-OG 2.89Å; E2053-S2120 PolarHBondContact O-OG 3.19Å; S2120-I2122 VanDerWaalsContact C-N 3.28Å; S2120-I2122 PolarHBondContact O-N 2.95Å; S2120-I2122 PolarHBondContact OG-O 3.44Å; S2120-W2265 WeakPolarHBondContact CB-O 3.39Å; S2120-W2265 PolarHBondContact N-O 2.89Å
2121E84.2Confident84.6Confident102 Ų10247.5 Ų47.548%0.47724%0.235SC..SBendtrans-69.1-31.3178-176.4171.6-16900111.7E2053 M2054 E2055E2053-E2121 WeakPolarHBondContact O-CB 3.21Å; E2053-E2121 PolarHBondContact O-N 3.32Å; M2054-E2121 HydrophobicContact CE-CB 3.79Å; M2054-E2121 HydrophobicContact SD-CB 4.43Å; E2055-E2121 PolarHBondContact N-OE2 3.13Å
2122I82.6Confident84.5Confident78 Ų7851.4 Ų51.440%0.426%0.255SS..SBendtrans-110.3129.5-178.8-57.6175.1000108.7E2053 S2120E2053-I2122 HydrophobicContact CB-CD1 4.42Å; E2053-I2122 HydrophobicContact CG-CD1 4.15Å; S2120-I2122 VanDerWaalsContact C-N 3.28Å; S2120-I2122 PolarHBondContact O-N 2.95Å; S2120-I2122 PolarHBondContact OG-O 3.44Å
2123Y84.2Confident84.4Confident143 Ų14352.9 Ų52.956%0.56127%0.269SS*.  trans-61.8136.6168.2-68.1-70.1000110.2P2125 E2262 M2264Y2123-P2125 WeakPolarHBondContact O-CD 3.27Å; Y2123-E2262 HydrophobicContact CE1-CB 4.48Å; Y2123-M2264 HydrophobicContact CD1-CB 4.21Å; Y2123-M2264 HydrophobicContact CE1-CB 4.41Å
2124W84.6Confident84.2Confident10 Ų1052.9 Ų52.94%0.03827%0.269CS..  trans-59.4106.9-170.3-176.139.1000112.4P2050 L2051 I2126 R2131 M2134 L2188 K2263 W2265P2050-W2124 VanDerWaalsContact O-CD1 3.26Å; L2051-W2124 HydrophobicContact CD2-CZ2 3.72Å; W2124-I2126 HydrophobicContact CD2-CB 4Å; W2124-I2126 HydrophobicContact CD2-CG2 3.56Å; W2124-I2126 HydrophobicContact CE3-CB 4.47Å; W2124-I2126 HydrophobicContact CE3-CG2 3.55Å; W2124-I2126 HydrophobicContact CG-CB 4.46Å; W2124-I2126 HydrophobicContact CG-CG2 4.31Å; W2124-I2126 HydrophobicContact CH2-CB 4.41Å; W2124-I2126 HydrophobicContact CH2-CD1 3.78Å; W2124-I2126 HydrophobicContact CH2-CG2 3.72Å; W2124-I2126 HydrophobicContact CZ2-CB 3.97Å; W2124-I2126 HydrophobicContact CZ2-CD1 3.24Å; W2124-I2126 HydrophobicContact CZ2-CG1 4.16Å; W2124-I2126 HydrophobicContact CZ2-CG2 3.77Å; W2124-I2126 HydrophobicContact CZ3-CG2 3.63Å; W2124-I2126 PolarHBondContact O-N 3.13Å; W2124-R2131 HydrophobicContact CH2-CG 4.36Å; W2124-M2134 HydrophobicContact CZ2-CE 4.23Å; W2124-M2134 HydrophobicContact CZ2-SD 4.21Å; W2124-L2188 HydrophobicContact CH2-CD2 3.43Å; W2124-L2188 VanDerWaalsContact CH2-CD2 3.43Å; W2124-L2188 HydrophobicContact CZ2-CD2 4.02Å; W2124-L2188 HydrophobicContact CZ3-CD2 4.28Å; W2124-K2263 HydrophobicContact CE3-CB 4.45Å; W2124-K2263 HydrophobicContact CE3-CD 4.4Å; W2124-K2263 PolarHBondContact N-O 3.36Å; W2124-W2265 AromaticContact CD1-NE1 4Å; W2124-W2265 AromaticContact CD2-NE1 3.28Å; W2124-W2265 VanDerWaalsContact CD2-NE1 3.28Å; W2124-W2265 AromaticContact CE2-NE1 3.76Å; W2124-W2265 HydrophobicContact CE3-CZ2 4.36Å; W2124-W2265 AromaticContact CE3-NE1 3.48Å; W2124-W2265 AromaticContact CG-CD1 3.82Å; W2124-W2265 AromaticContact CG-NE1 3.47Å; W2124-W2265 HydrophobicContact CH2-CZ2 4.28Å; W2124-W2265 HydrophobicContact CZ3-CZ2 4.15Å
2125P80.3Confident84Confident80 Ų8054.1 Ų54.152%0.51928%0.276SS..  trans-89.150.2-164.836.2-34.5000111.2P2049 Y2123P2049-P2125 HydrophobicContact CB-CG 4.01Å; Y2123-P2125 WeakPolarHBondContact O-CD 3.27Å
2126I81Confident83.9Confident24 Ų2455 Ų5512%0.12328%0.284CS..  trans-90.9130-178.7-158.7165000111W2124 S2130 R2131 M2134W2124-I2126 HydrophobicContact CD2-CB 4Å; W2124-I2126 HydrophobicContact CD2-CG2 3.56Å; W2124-I2126 HydrophobicContact CE3-CB 4.47Å; W2124-I2126 HydrophobicContact CE3-CG2 3.55Å; W2124-I2126 HydrophobicContact CG-CB 4.46Å; W2124-I2126 HydrophobicContact CG-CG2 4.31Å; W2124-I2126 HydrophobicContact CH2-CB 4.41Å; W2124-I2126 HydrophobicContact CH2-CD1 3.78Å; W2124-I2126 HydrophobicContact CH2-CG2 3.72Å; W2124-I2126 HydrophobicContact CZ2-CB 3.97Å; W2124-I2126 HydrophobicContact CZ2-CD1 3.24Å; W2124-I2126 HydrophobicContact CZ2-CG1 4.16Å; W2124-I2126 HydrophobicContact CZ2-CG2 3.77Å; W2124-I2126 HydrophobicContact CZ3-CG2 3.63Å; W2124-I2126 PolarHBondContact O-N 3.13Å; I2126-S2130 WeakPolarHBondContact CG1-OG 3.45Å; I2126-R2131 HydrophobicContact CD1-CB 3.97Å; I2126-R2131 HydrophobicContact CG1-CB 4.15Å; I2126-R2131 HydrophobicContact CG2-CB 4.19Å; I2126-M2134 HydrophobicContact CD1-CE 4.12Å
2127S83.7Confident83.5Confident64 Ų6458.3 Ų58.345%0.44830%0.298SS..  trans-69.2149.2167.276.30000109.9D2129 S2130 R2131S2127-D2129 PolarHBondContact O-N 2.7Å; S2127-S2130 WeakPolarHBondContact CA-OG 3.43Å; S2127-S2130 PolarHBondContact N-OG 3.25Å; S2127-S2130 PolarHBondContact O-N 3.12Å; S2127-S2130 VanDerWaalsContact O-N 3.1Å; S2127-S2130 PolarHBondContact O-OG 3.08Å; S2127-S2130 WeakPolarHBondContact OG-CB 3.31Å; S2127-S2130 PolarHBondContact OG-N 3.16Å; S2127-S2130 PolarHBondContact OG-OG 2.74Å; S2127-R2131 WeakPolarHBondContact O-CB 3.41Å; S2127-R2131 PolarHBondContact O-N 3.09Å
2128Q81.2Confident83.1Confident100 Ų10053.7 Ų53.747%0.46728%0.281SS..Hα-helixtrans-59.1-32.3178.4-175.1691.500111.5R2131 N2132Q2128-R2131 PolarHBondContact O-N 3.28Å; Q2128-N2132 WeakPolarHBondContact O-CB 3.4Å; Q2128-N2132 PolarHBondContact O-N 2.72Å; Q2128-N2132 PolarHBondContact O-ND2 3.1Å
2129D84Confident82.9Confident128 Ų12857.1 Ų57.168%0.68431%0.305SS*.Hα-helixtrans-67.9-46.2173.8-62.9-35.6000112.2S2127 R2131 N2132 A2133S2127-D2129 PolarHBondContact O-N 2.7Å; D2129-R2131 VanDerWaalsContact C-N 3.28Å; D2129-R2131 PolarHBondContact O-N 3.49Å; D2129-N2132 PolarHBondContact O-N 2.86Å; D2129-A2133 WeakPolarHBondContact O-CB 3.42Å; D2129-A2133 PolarHBondContact O-N 3.27Å
2130S84Confident82.3Confident28 Ų2862 Ų6220%0.19632%0.321CS..Hα-helixtrans-65.2-30.1174.449.80000113Y2048 I2126 S2127 M2134Y2048-S2130 VanDerWaalsContact CE1-O 3.31Å; Y2048-S2130 WeakPolarHBondContact CE1-O 3.48Å; I2126-S2130 WeakPolarHBondContact CG1-OG 3.45Å; S2127-S2130 WeakPolarHBondContact CA-OG 3.43Å; S2127-S2130 PolarHBondContact N-OG 3.25Å; S2127-S2130 PolarHBondContact O-N 3.12Å; S2127-S2130 VanDerWaalsContact O-N 3.1Å; S2127-S2130 PolarHBondContact O-OG 3.08Å; S2127-S2130 WeakPolarHBondContact OG-CB 3.31Å; S2127-S2130 PolarHBondContact OG-N 3.16Å; S2127-S2130 PolarHBondContact OG-OG 2.74Å; S2130-M2134 WeakPolarHBondContact O-CB 3.47Å; S2130-M2134 PolarHBondContact O-N 3.32Å
2131R82.5Confident81.6Confident25 Ų2568.5 Ų68.59%0.09436%0.355CS..Hα-helixtrans-68.8-44.7172.9-178.8-173.9177.8-152.82.8111W2124 I2126 S2127 Q2128 D2129 A2133 M2134 I2135 L2188 R2189W2124-R2131 HydrophobicContact CH2-CG 4.36Å; I2126-R2131 HydrophobicContact CD1-CB 3.97Å; I2126-R2131 HydrophobicContact CG1-CB 4.15Å; I2126-R2131 HydrophobicContact CG2-CB 4.19Å; S2127-R2131 WeakPolarHBondContact O-CB 3.41Å; S2127-R2131 PolarHBondContact O-N 3.09Å; Q2128-R2131 PolarHBondContact O-N 3.28Å; D2129-R2131 VanDerWaalsContact C-N 3.28Å; D2129-R2131 PolarHBondContact O-N 3.49Å; R2131-A2133 VanDerWaalsContact C-N 3.35Å; R2131-M2134 PolarHBondContact O-N 3.07Å; R2131-I2135 HydrophobicContact CG-CD1 4.21Å; R2131-I2135 VanDerWaalsContact O-CG1 3.3Å; R2131-I2135 WeakPolarHBondContact O-CG1 3.33Å; R2131-I2135 PolarHBondContact O-N 3.26Å; R2131-L2188 PolarHBondContact NE-O 3.1Å; R2131-L2188 PolarHBondContact NH2-O 3.3Å; R2131-R2189 PolarHBondContact NH2-O 3.22Å
2132N87Confident81Confident82 Ų8266.6 Ų66.644%0.43935%0.351SS..Hα-helixtrans-63.3-41.1174-69.1-18.8000111.2Q2128 D2129 I2135 D2136Q2128-N2132 WeakPolarHBondContact O-CB 3.4Å; Q2128-N2132 PolarHBondContact O-N 2.72Å; Q2128-N2132 PolarHBondContact O-ND2 3.1Å; D2129-N2132 PolarHBondContact O-N 2.86Å; N2132-I2135 PolarHBondContact O-N 2.94Å; N2132-D2136 WeakPolarHBondContact O-CB 3.4Å; N2132-D2136 PolarHBondContact O-N 3.38Å
2133A83.5Confident80.4Confident42 Ų4267.4 Ų67.435%0.34736%0.363SS..Hα-helixtrans-65.7-35.5174.400000112.5Y2048 D2129 R2131 D2136 K2137Y2048-A2133 VanDerWaalsContact OH-C 3.25Å; Y2048-A2133 PolarHBondContact OH-O 2.94Å; D2129-A2133 WeakPolarHBondContact O-CB 3.42Å; D2129-A2133 PolarHBondContact O-N 3.27Å; R2131-A2133 VanDerWaalsContact C-N 3.35Å; A2133-D2136 PolarHBondContact O-N 3.34Å; A2133-K2137 VanDerWaalsContact O-CB 3.22Å; A2133-K2137 WeakPolarHBondContact O-CB 3.27Å; A2133-K2137 PolarHBondContact O-N 3.36Å
2134M84Confident79.9Confident1 Ų160.7 Ų60.71%0.00534%0.337CS..Hα-helixtrans-64.3-47.4172.1-178.1-174.7-80.300110.9I2045 Y2048 W2124 I2126 S2130 R2131 D2136 K2137 L2138 L2188I2045-M2134 HydrophobicContact CB-CE 3.98Å; I2045-M2134 HydrophobicContact CD1-CE 3.82Å; I2045-M2134 HydrophobicContact CD1-SD 3.77Å; I2045-M2134 HydrophobicContact CG1-CE 4.42Å; I2045-M2134 HydrophobicContact CG2-CE 4.32Å; Y2048-M2134 HydrophobicContact CD1-CB 4.23Å; Y2048-M2134 HydrophobicContact CD1-CE 3.9Å; Y2048-M2134 HydrophobicContact CD2-CB 4.47Å; Y2048-M2134 HydrophobicContact CD2-CE 3.54Å; Y2048-M2134 HydrophobicContact CD2-CG 4.31Å; Y2048-M2134 HydrophobicContact CE1-CB 3.82Å; Y2048-M2134 HydrophobicContact CE2-CB 4.05Å; Y2048-M2134 HydrophobicContact CE2-CE 4.27Å; Y2048-M2134 HydrophobicContact CE2-CG 4.11Å; Y2048-M2134 HydrophobicContact CG-CE 3.32Å; Y2048-M2134 WeakPolarHBondContact OH-CA 3.3Å; Y2048-M2134 PolarHBondContact OH-N 2.98Å; W2124-M2134 HydrophobicContact CZ2-CE 4.23Å; W2124-M2134 HydrophobicContact CZ2-SD 4.21Å; I2126-M2134 HydrophobicContact CD1-CE 4.12Å; S2130-M2134 WeakPolarHBondContact O-CB 3.47Å; S2130-M2134 PolarHBondContact O-N 3.32Å; R2131-M2134 PolarHBondContact O-N 3.07Å; M2134-D2136 VanDerWaalsContact C-N 3.32Å; M2134-D2136 PolarHBondContact O-N 3.04Å; M2134-K2137 PolarHBondContact O-N 3.3Å; M2134-L2138 HydrophobicContact CG-CD1 3.97Å; M2134-L2138 WeakPolarHBondContact O-CB 3.33Å; M2134-L2138 WeakPolarHBondContact O-CD1 3.48Å; M2134-L2138 VanDerWaalsContact O-CG 3.26Å; M2134-L2138 WeakPolarHBondContact O-CG 3.4Å; M2134-L2138 PolarHBondContact O-N 2.71Å; M2134-L2188 HydrophobicContact CG-CD1 3.95Å; M2134-L2188 HydrophobicContact SD-CD1 3.63Å; M2134-L2188 HydrophobicContact SD-CD2 3.53Å; M2134-L2188 VanDerWaalsContact SD-CD2 3.53Å; M2134-L2188 HydrophobicContact SD-CG 4.27Å
2135I83.6Confident79.7Confident26 Ų2661.9 Ų61.913%0.13334%0.344CS..Hα-helixtrans-60.3-42.3176.5-68.1164.4000110.7R2131 N2132 L2138 S2139 L2188 R2189R2131-I2135 HydrophobicContact CG-CD1 4.21Å; R2131-I2135 VanDerWaalsContact O-CG1 3.3Å; R2131-I2135 WeakPolarHBondContact O-CG1 3.33Å; R2131-I2135 PolarHBondContact O-N 3.26Å; N2132-I2135 PolarHBondContact O-N 2.94Å; I2135-L2138 PolarHBondContact O-N 3.49Å; I2135-S2139 PolarHBondContact O-N 3.47Å; I2135-L2188 HydrophobicContact CD1-CB 4.27Å; I2135-L2188 HydrophobicContact CG1-CB 4.02Å; I2135-L2188 HydrophobicContact CG1-CD1 4.19Å; I2135-R2189 HydrophobicContact CD1-CG 4.42Å
2136D84.1Confident79.9Confident63 Ų6358.2 Ų58.234%0.33732%0.32SS..Hα-helixtrans-64.3-49.9174.6-179.422.4000112N2132 A2133 M2134 L2138 S2139 R2140N2132-D2136 WeakPolarHBondContact O-CB 3.4Å; N2132-D2136 PolarHBondContact O-N 3.38Å; A2133-D2136 PolarHBondContact O-N 3.34Å; M2134-D2136 VanDerWaalsContact C-N 3.32Å; M2134-D2136 PolarHBondContact O-N 3.04Å; D2136-L2138 PolarHBondContact O-N 3.3Å; D2136-S2139 WeakPolarHBondContact O-CA 3.27Å; D2136-S2139 WeakPolarHBondContact O-CB 3.45Å; D2136-S2139 PolarHBondContact O-N 2.88Å; D2136-S2139 PolarHBondContact O-OG 2.85Å; D2136-R2140 VanDerWaalsContact CG-NE 3.32Å; D2136-R2140 WeakPolarHBondContact O-CG 3.34Å; D2136-R2140 PolarHBondContact O-N 3.08Å; D2136-R2140 IonicContact OD1-CZ 3.72Å; D2136-R2140 IonicContact OD1-NE 2.6Å; D2136-R2140 PolarHBondContact OD1-NE 3.16Å; D2136-R2140 IonicContact OD1-NH2 2.75Å; D2136-R2140 PolarHBondContact OD1-NH2 2.68Å; D2136-R2140 IonicContact OD2-CZ 3.67Å; D2136-R2140 VanDerWaalsContact OD2-CZ 3.3Å; D2136-R2140 IonicContact OD2-NE 2.96Å; D2136-R2140 PolarHBondContact OD2-NE 3Å; D2136-R2140 IonicContact OD2-NH2 3.49Å; D2136-R2140 PolarHBondContact OD2-NH2 3.2Å
2137K79.3Confident80.2Confident69 Ų6959.8 Ų59.830%0.333%0.327SS..Hα-helixtrans-61.9-28.9178.4-164.1-176.1-178.5-171.70112.6E2046 Y2048 A2133 M2134 T2142 V2144E2046-K2137 PolarHBondContact O-NZ 2.9Å; Y2048-K2137 HydrophobicContact CE2-CD 3.95Å; A2133-K2137 VanDerWaalsContact O-CB 3.22Å; A2133-K2137 WeakPolarHBondContact O-CB 3.27Å; A2133-K2137 PolarHBondContact O-N 3.36Å; M2134-K2137 PolarHBondContact O-N 3.3Å; K2137-T2142 PolarHBondContact O-OG1 2.99Å; K2137-T2142 VanDerWaalsContact O-OG1 3.07Å; K2137-V2144 HydrophobicContact CD-CG2 4.18Å; K2137-V2144 HydrophobicContact CG-CG2 3.94Å
2138L76Confident80.5Confident3 Ų356.7 Ų56.72%0.01631%0.305CS..Hα-helixtrans-77.7-28171.3-72.8165.7000113.4M2134 I2135 D2136 I2174 R2181 I2184 Q2185 L2188M2134-L2138 HydrophobicContact CG-CD1 3.97Å; M2134-L2138 WeakPolarHBondContact O-CB 3.33Å; M2134-L2138 WeakPolarHBondContact O-CD1 3.48Å; M2134-L2138 VanDerWaalsContact O-CG 3.26Å; M2134-L2138 WeakPolarHBondContact O-CG 3.4Å; M2134-L2138 PolarHBondContact O-N 2.71Å; I2135-L2138 PolarHBondContact O-N 3.49Å; D2136-L2138 PolarHBondContact O-N 3.3Å; L2138-I2174 HydrophobicContact CD2-CD1 4.36Å; L2138-R2181 PolarHBondContact O-NH1 3.08Å; L2138-R2181 VanDerWaalsContact O-NH1 3.08Å; L2138-I2184 HydrophobicContact CD1-CG2 3.58Å; L2138-I2184 HydrophobicContact CD2-CG2 4.48Å; L2138-Q2185 HydrophobicContact CB-CG 4.39Å; L2138-L2188 HydrophobicContact CD1-CD1 3.34Å
2139S79.1Confident80.8Confident74 Ų7453.2 Ų53.252%0.51729%0.292SS..Hα-helixtrans-75-28.817484.10000112.7I2135 D2136I2135-S2139 PolarHBondContact O-N 3.47Å; D2136-S2139 WeakPolarHBondContact O-CA 3.27Å; D2136-S2139 WeakPolarHBondContact O-CB 3.45Å; D2136-S2139 PolarHBondContact O-N 2.88Å; D2136-S2139 PolarHBondContact O-OG 2.85Å
2140R73.5Confident81.1Confident144 Ų14447.1 Ų47.154%0.54326%0.26SS..SBendtrans-77.7151.2176.2-65.6175.1-169.1-144.78.1111.4D2136 T2142 R2181D2136-R2140 VanDerWaalsContact CG-NE 3.32Å; D2136-R2140 WeakPolarHBondContact O-CG 3.34Å; D2136-R2140 PolarHBondContact O-N 3.08Å; D2136-R2140 IonicContact OD1-CZ 3.72Å; D2136-R2140 IonicContact OD1-NE 2.6Å; D2136-R2140 PolarHBondContact OD1-NE 3.16Å; D2136-R2140 IonicContact OD1-NH2 2.75Å; D2136-R2140 PolarHBondContact OD1-NH2 2.68Å; D2136-R2140 IonicContact OD2-CZ 3.67Å; D2136-R2140 VanDerWaalsContact OD2-CZ 3.3Å; D2136-R2140 IonicContact OD2-NE 2.96Å; D2136-R2140 PolarHBondContact OD2-NE 3Å; D2136-R2140 IonicContact OD2-NH2 3.49Å; D2136-R2140 PolarHBondContact OD2-NH2 3.2Å; R2140-T2142 PolarHBondContact O-N 3.35Å; R2140-R2181 PolarHBondContact O-NH1 2.99Å
2141N72.1Confident81.4Confident153 Ų15347.2 Ų47.282%0.81826%0.257SS*.SBendtrans-69.920.9177.7-105.54.7000114.7
2142T69.7Low81.7Confident62 Ų6246.1 Ų46.138%0.3825%0.253SS..  trans-76.4139.4172.9390000111K2137 R2140 V2144 R2181K2137-T2142 PolarHBondContact O-OG1 2.99Å; K2137-T2142 VanDerWaalsContact O-OG1 3.07Å; R2140-T2142 PolarHBondContact O-N 3.35Å; T2142-V2144 PolarHBondContact O-N 2.87Å; T2142-R2181 PolarHBondContact O-NH2 3.49Å
2143S70.1Confident81.6Confident94 Ų9442.7 Ų42.766%0.65724%0.235SC*.  trans-66.6125.4163.951.90000108.7
2144V74Confident81.2Confident2 Ų241.1 Ų41.11%0.01222%0.22CC..  trans-119.7123172.9179.40000105.9I2045 K2137 T2142 I2174I2045-V2144 HydrophobicContact CG2-CG1 3.34Å; K2137-V2144 HydrophobicContact CD-CG2 4.18Å; K2137-V2144 HydrophobicContact CG-CG2 3.94Å; T2142-V2144 PolarHBondContact O-N 2.87Å; V2144-I2174 HydrophobicContact CB-CD1 4.44Å; V2144-I2174 HydrophobicContact CG1-CD1 4.27Å; V2144-I2174 WeakPolarHBondContact O-CB 3.17Å; V2144-I2174 WeakPolarHBondContact O-CG1 3.38Å; V2144-I2174 PolarHBondContact O-N 3.43Å; V2144-I2174 VanDerWaalsContact O-N 3.14Å
2145N81.9Confident80.6Confident36 Ų3644.2 Ų44.219%0.19324%0.24CC..EExtended strand (participates in β ladder)trans-88.2147.5176.6-57.8-57.1000110.3E2046 L2171 P2173E2046-N2145 HydrophobicContact CB-CB 4.28Å; E2046-N2145 WeakPolarHBondContact CB-O 3.4Å; E2046-N2145 PolarHBondContact N-O 2.86Å; E2046-N2145 VanDerWaalsContact OE2-CB 3.28Å; E2046-N2145 WeakPolarHBondContact OE2-CB 3.37Å; E2046-N2145 PolarHBondContact OE2-N 3.43Å; E2046-N2145 PolarHBondContact OE2-ND2 3.3Å; N2145-L2171 HydrophobicContact CB-CD2 4.29Å; N2145-P2173 WeakPolarHBondContact OD1-CA 3.41Å
2146F83.9Confident79.5Confident2 Ų251.1 Ų51.11%0.00927%0.266CS..EExtended strand (participates in β ladder)trans-97.5124.6167.3-171.7-97.7000107.8I2043 I2045 L2051 V2148 V2172 I2174 I2198 L2250 L2252I2043-F2146 HydrophobicContact CG2-CE1 3.57Å; I2043-F2146 HydrophobicContact CG2-CE2 3.95Å; I2043-F2146 HydrophobicContact CG2-CZ 3.09Å; I2045-F2146 HydrophobicContact CG1-CD2 3.96Å; I2045-F2146 HydrophobicContact CG1-CE2 4.41Å; L2051-F2146 HydrophobicContact CD1-CE2 3.8Å; F2146-V2148 HydrophobicContact CD1-CG2 3.98Å; F2146-V2148 HydrophobicContact CE1-CG2 3.74Å; F2146-V2172 HydrophobicContact CB-CB 4.36Å; F2146-V2172 PolarHBondContact N-O 3.31Å; F2146-V2172 PolarHBondContact O-N 2.91Å; F2146-I2174 HydrophobicContact CB-CD1 4.42Å; F2146-I2174 HydrophobicContact CB-CG1 4.2Å; F2146-I2198 HydrophobicContact CD1-CD1 3.75Å; F2146-I2198 HydrophobicContact CD1-CG2 4.15Å; F2146-I2198 HydrophobicContact CD2-CD1 3.43Å; F2146-I2198 VanDerWaalsContact CD2-CD1 3.43Å; F2146-I2198 HydrophobicContact CE1-CD1 3.51Å; F2146-I2198 HydrophobicContact CE1-CG2 4.38Å; F2146-I2198 HydrophobicContact CE2-CD1 3.19Å; F2146-I2198 HydrophobicContact CG-CD1 3.68Å; F2146-I2198 HydrophobicContact CZ-CD1 3.2Å; F2146-L2250 HydrophobicContact CE1-CD2 4.24Å; F2146-L2250 HydrophobicContact CZ-CD2 4.06Å; F2146-L2252 HydrophobicContact CE2-CD1 3.99Å; F2146-L2252 HydrophobicContact CZ-CD1 3.79Å
2147E87.9Confident78.3Confident57 Ų5751.4 Ų51.427%0.26627%0.267SS..EExtended strand (participates in β ladder)trans-110.2117.7-173.4179.9176.5-17100110.3S2044 S2169 L2171S2044-E2147 PolarHBondContact N-O 2.89Å; S2044-E2147 PolarHBondContact O-N 3.44Å; E2147-S2169 WeakPolarHBondContact OE1-CB 3.37Å; E2147-L2171 HydrophobicContact CB-CD2 3.99Å; E2147-L2171 HydrophobicContact CG-CD2 4.07Å
2148V88.2Confident77.2Confident0 Ų052.2 Ų52.20%028%0.28CS..EExtended strand (participates in β ladder)trans-105.3111.1169.7-1790000107.3L2041 F2146 S2169 W2170 I2202L2041-V2148 HydrophobicContact CD1-CG1 3.84Å; F2146-V2148 HydrophobicContact CD1-CG2 3.98Å; F2146-V2148 HydrophobicContact CE1-CG2 3.74Å; V2148-S2169 CarbonylContact O-C 3.48Å; V2148-S2169 WeakPolarHBondContact O-CA 3.48Å; V2148-W2170 HydrophobicContact CB-CE3 4.44Å; V2148-W2170 HydrophobicContact CG1-CE3 4.21Å; V2148-W2170 PolarHBondContact N-O 3.47Å; V2148-W2170 PolarHBondContact O-N 3.44Å; V2148-I2202 HydrophobicContact CG1-CG1 4.44Å
2149S89Confident76.1Confident26 Ų2657.4 Ų57.418%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-111.3127.5177.477.60000110.9R2042 K2168R2042-S2149 WeakPolarHBondContact CB-OG 3.3Å; R2042-S2149 PolarHBondContact N-O 3.4Å; R2042-S2149 PolarHBondContact O-N 3.14Å; S2149-K2168 WeakPolarHBondContact CA-O 3.44Å
2150L90.5Very high74.9Confident1 Ų156.4 Ų56.41%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-117130.5174.5-176.270.6000109.6V2039 L2041 F2116 F2152 S2167 K2168 W2170 I2206 L2214 V2296V2039-L2150 HydrophobicContact CG1-CD1 3.67Å; V2039-L2150 HydrophobicContact CG1-CG 4.4Å; L2041-L2150 HydrophobicContact CB-CD1 4.17Å; L2041-L2150 HydrophobicContact CD1-CB 4.43Å; L2041-L2150 HydrophobicContact CD1-CD1 4.16Å; F2116-L2150 HydrophobicContact CE1-CD1 4.48Å; F2116-L2150 HydrophobicContact CE2-CD1 4.23Å; F2116-L2150 HydrophobicContact CZ-CD1 3.61Å; L2150-F2152 HydrophobicContact CD2-CD2 4.35Å; L2150-F2152 HydrophobicContact CD2-CE2 3.59Å; L2150-F2152 HydrophobicContact CD2-CZ 4.38Å; L2150-F2152 HydrophobicContact CG-CD2 4.32Å; L2150-F2152 HydrophobicContact CG-CE2 4Å; L2150-S2167 CarbonylContact O-C 3.45Å; L2150-S2167 WeakPolarHBondContact O-CA 3.43Å; L2150-K2168 PolarHBondContact N-O 3.03Å; L2150-K2168 PolarHBondContact O-N 3.38Å; L2150-W2170 HydrophobicContact CB-CH2 4.05Å; L2150-W2170 HydrophobicContact CB-CZ3 3.67Å; L2150-W2170 HydrophobicContact CD2-CH2 4.22Å; L2150-W2170 HydrophobicContact CD2-CZ3 4.44Å; L2150-I2206 HydrophobicContact CD2-CD1 3.16Å; L2150-L2214 HydrophobicContact CB-CD1 4.38Å; L2150-L2214 HydrophobicContact CD2-CD1 4.22Å; L2150-L2214 HydrophobicContact CG-CD1 4.27Å; L2150-V2296 HydrophobicContact CD2-CG1 4.42Å
2151E89.9Confident74.1Confident30 Ų3055.7 Ų55.714%0.1430%0.301CS..EExtended strand (participates in β ladder)trans-129.9119.9179.4171.1-177.5173.100109.8V2039 T2040 T2153 K2165V2039-E2151 WeakPolarHBondContact CA-O 3.29Å; T2040-E2151 PolarHBondContact N-O 3.41Å; T2040-E2151 PolarHBondContact O-N 3.26Å; T2040-E2151 WeakPolarHBondContact OG1-CB 3.15Å; T2040-E2151 PolarHBondContact OG1-O 2.56Å; E2151-T2153 HydrophobicContact CG-CG2 4.06Å; E2151-K2165 VanDerWaalsContact OE1-CD 3.3Å; E2151-K2165 WeakPolarHBondContact OE1-CD 3.42Å; E2151-K2165 WeakPolarHBondContact OE1-CE 3.18Å; E2151-K2165 WeakPolarHBondContact OE1-CG 3.38Å; E2151-K2165 IonicContact OE1-NZ 3.48Å; E2151-K2165 PolarHBondContact OE1-NZ 3.4Å
2152F88.4Confident73.4Confident1 Ų150.3 Ų50.30%0.00428%0.278CS..EExtended strand (participates in β ladder)trans-95.5126167.9-72.5-104.9000108.5P2036 V2039 V2114 L2150 H2166 I2206 V2208 L2214P2036-F2152 HydrophobicContact CB-CD1 4.12Å; P2036-F2152 HydrophobicContact CG-CD1 4.07Å; V2039-F2152 HydrophobicContact CB-CD1 4.41Å; V2039-F2152 HydrophobicContact CG1-CD1 4.06Å; V2039-F2152 HydrophobicContact CG1-CD2 4.15Å; V2039-F2152 HydrophobicContact CG1-CE1 4.07Å; V2039-F2152 HydrophobicContact CG1-CE2 4.19Å; V2039-F2152 HydrophobicContact CG1-CG 4.1Å; V2039-F2152 HydrophobicContact CG1-CZ 4.14Å; V2039-F2152 HydrophobicContact CG2-CD1 3.42Å; V2039-F2152 VanDerWaalsContact CG2-CD1 3.42Å; V2039-F2152 HydrophobicContact CG2-CE1 3.67Å; V2039-F2152 HydrophobicContact CG2-CG 4.09Å; V2114-F2152 HydrophobicContact CG2-CE1 4.04Å; V2114-F2152 HydrophobicContact CG2-CZ 4.32Å; L2150-F2152 HydrophobicContact CD2-CD2 4.35Å; L2150-F2152 HydrophobicContact CD2-CE2 3.59Å; L2150-F2152 HydrophobicContact CD2-CZ 4.38Å; L2150-F2152 HydrophobicContact CG-CD2 4.32Å; L2150-F2152 HydrophobicContact CG-CE2 4Å; F2152-H2166 HydrophobicContact CB-CB 4.44Å; F2152-H2166 PolarHBondContact N-O 3.41Å; F2152-H2166 PolarHBondContact O-N 2.76Å; F2152-I2206 HydrophobicContact CE2-CG2 4.47Å; F2152-V2208 HydrophobicContact CB-CG1 4.44Å; F2152-V2208 HydrophobicContact CD1-CG2 4.02Å; F2152-V2208 HydrophobicContact CD2-CG2 4.21Å; F2152-V2208 HydrophobicContact CE1-CG2 4Å; F2152-V2208 HydrophobicContact CE2-CG2 4.16Å; F2152-V2208 HydrophobicContact CG-CG2 4.13Å; F2152-V2208 HydrophobicContact CZ-CG2 4.07Å; F2152-L2214 HydrophobicContact CD2-CD1 3.77Å; F2152-L2214 HydrophobicContact CD2-CD2 3.56Å; F2152-L2214 HydrophobicContact CD2-CG 4.31Å; F2152-L2214 HydrophobicContact CE2-CD1 4.04Å; F2152-L2214 HydrophobicContact CE2-CD2 4.01Å; F2152-L2214 HydrophobicContact CG-CD2 4.34Å
2153T84.7Confident72.9Confident11 Ų1148.9 Ų48.97%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-106.6121.1173.170.60000110.3P2036 E2037 K2038 E2151 L2164 K2165P2036-T2153 CarbonylContact C-O 3.43Å; P2036-T2153 VanDerWaalsContact CA-O 3.28Å; P2036-T2153 WeakPolarHBondContact CA-O 3.32Å; E2037-T2153 PolarHBondContact N-O 2.9Å; K2038-T2153 HydrophobicContact CG-CG2 4.35Å; K2038-T2153 WeakPolarHBondContact CG-OG1 3.23Å; K2038-T2153 PolarHBondContact O-N 2.96Å; K2038-T2153 VanDerWaalsContact O-N 3.07Å; K2038-T2153 PolarHBondContact O-OG1 2.63Å; E2151-T2153 HydrophobicContact CG-CG2 4.06Å; T2153-L2164 CarbonylContact C-O 3.6Å; T2153-L2164 VanDerWaalsContact CA-O 3.31Å; T2153-L2164 WeakPolarHBondContact CA-O 2.71Å; T2153-K2165 HydrophobicContact CG2-CG 4.15Å
2154R75.8Confident72.7Confident8 Ų848.3 Ų48.33%0.0326%0.262CS..  trans-85.1147172.7-65.5-174.1-166.9-135.26.2109.4S2034 L2164 H2166 V2208 P2209 D2301S2034-R2154 PolarHBondContact OG-NH1 2.84Å; R2154-L2164 PolarHBondContact N-O 3.48Å; R2154-L2164 WeakPolarHBondContact O-CD1 3.27Å; R2154-H2166 PolarHBondContact NE-NE2 3.39Å; R2154-V2208 PolarHBondContact NH2-O 2.95Å; R2154-P2209 PolarHBondContact NH2-O 3.25Å; R2154-D2301 PolarHBondContact NH1-O 3.04Å
2155P70.4Confident72.7Confident66 Ų6653.8 Ų53.843%0.42929%0.285SS..  trans-58.4142.1175.924.8-35000110.6M2035 D2157M2035-P2155 WeakPolarHBondContact O-CD 3.05Å; P2155-D2157 PolarHBondContact O-N 3.01Å; P2155-D2157 VanDerWaalsContact O-N 3.16Å
2156Y61.3Low72.8Confident172 Ų17252.1 Ų52.168%0.67528%0.276SS*.  trans-77.699.6-177.5-178.9-117.8000111.8P2158 L2164Y2156-P2158 HydrophobicContact CE1-CB 3.96Å; Y2156-P2158 HydrophobicContact CE1-CG 4.44Å; Y2156-L2164 HydrophobicContact CD2-CD1 3.91Å; Y2156-L2164 HydrophobicContact CG-CD1 4.22Å
2157D58.7Low73Confident68 Ų6855 Ų5536%0.36430%0.297SS..  trans-93.3113.1158.8-169.2-24.7000109.5P2155 N2159 E2160P2155-D2157 PolarHBondContact O-N 3.01Å; P2155-D2157 VanDerWaalsContact O-N 3.16Å; D2157-N2159 PolarHBondContact O-N 2.92Å; D2157-N2159 VanDerWaalsContact OD1-CB 3.26Å; D2157-N2159 WeakPolarHBondContact OD1-CB 3.39Å; D2157-N2159 PolarHBondContact OD1-N 3.45Å; D2157-N2159 PolarHBondContact OD1-ND2 3.3Å; D2157-E2160 HydrophobicContact CB-CB 4.3Å; D2157-E2160 HydrophobicContact CB-CG 4.19Å; D2157-E2160 PolarHBondContact O-N 3.19Å; D2157-E2160 VanDerWaalsContact O-N 3.17Å
2158P56.4Low73Confident87 Ų8755 Ų5557%0.56530%0.296SS*.THydrogen-bonded Turntrans-62.7-10.8178.126.6-35.3000114.2Y2156Y2156-P2158 HydrophobicContact CE1-CB 3.96Å; Y2156-P2158 HydrophobicContact CE1-CG 4.44Å
2159N52.7Low72.9Confident111 Ų11158.1 Ų58.159%0.59432%0.318SS*.THydrogen-bonded Turntrans-93.9-16.6179.4-52.6-72.9000113.5D2157 S2306D2157-N2159 PolarHBondContact O-N 2.92Å; D2157-N2159 VanDerWaalsContact OD1-CB 3.26Å; D2157-N2159 WeakPolarHBondContact OD1-CB 3.39Å; D2157-N2159 PolarHBondContact OD1-N 3.45Å; D2157-N2159 PolarHBondContact OD1-ND2 3.3Å; N2159-S2306 VanDerWaalsContact O-CB 3.23Å; N2159-S2306 WeakPolarHBondContact O-CB 3.35Å; N2159-S2306 PolarHBondContact O-OG 3.04Å
2160E54.5Low72.8Confident53 Ų5357.8 Ų57.825%0.24831%0.313CS..SBendtrans-103.4116.6179.5-61.4-159.5150.400110.3D2157 A2162D2157-E2160 HydrophobicContact CB-CB 4.3Å; D2157-E2160 HydrophobicContact CB-CG 4.19Å; D2157-E2160 PolarHBondContact O-N 3.19Å; D2157-E2160 VanDerWaalsContact O-N 3.17Å; E2160-A2162 PolarHBondContact O-N 2.95Å
2161N55.5Low72.5Confident129 Ų12961.4 Ų61.469%0.6933%0.332SS*.  trans-76.149.7174.4-67-60.4000111.5Q2211N2161-Q2211 PolarHBondContact O-NE2 3.26Å
2162A57.1Low72Confident40 Ų4061 Ų6133%0.33133%0.331SS..  trans-83.9157.6170.500000110E2160 L2164E2160-A2162 PolarHBondContact O-N 2.95Å; A2162-L2164 PolarHBondContact O-N 2.95Å
2163A59.6Low71.4Confident32 Ų3264.7 Ų64.726%0.26436%0.355SS..  trans-76.3120170.900000109K2165 H2166A2163-K2165 PolarHBondContact O-N 3.45Å; A2163-H2166 PolarHBondContact O-NE2 3.28Å
2164L66Low70.8Confident83 Ų8365 Ų6544%0.43536%0.357SS..SBendtrans-56.5-36.5178.4-173.878.8000112.1T2153 R2154 Y2156 A2162T2153-L2164 CarbonylContact C-O 3.6Å; T2153-L2164 VanDerWaalsContact CA-O 3.31Å; T2153-L2164 WeakPolarHBondContact CA-O 2.71Å; R2154-L2164 PolarHBondContact N-O 3.48Å; R2154-L2164 WeakPolarHBondContact O-CD1 3.27Å; Y2156-L2164 HydrophobicContact CD2-CD1 3.91Å; Y2156-L2164 HydrophobicContact CG-CD1 4.22Å; A2162-L2164 PolarHBondContact O-N 2.95Å
2165K74.3Confident70.4Confident116 Ų11667 Ų6750%0.50437%0.371SS..EExtended strand (participates in β ladder)trans-126.9121.1-174.6-66170.4167.1-94.20108.8E2151 T2153 A2163E2151-K2165 VanDerWaalsContact OE1-CD 3.3Å; E2151-K2165 WeakPolarHBondContact OE1-CD 3.42Å; E2151-K2165 WeakPolarHBondContact OE1-CE 3.18Å; E2151-K2165 WeakPolarHBondContact OE1-CG 3.38Å; E2151-K2165 IonicContact OE1-NZ 3.48Å; E2151-K2165 PolarHBondContact OE1-NZ 3.4Å; T2153-K2165 HydrophobicContact CG2-CG 4.15Å; A2163-K2165 PolarHBondContact O-N 3.45Å
2166H84.6Confident70.1Confident1 Ų169.3 Ų69.31%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-108.396.9170-60.7-88.2000108.1F2152 R2154 A2163 V2208 P2209 G2212 L2214F2152-H2166 HydrophobicContact CB-CB 4.44Å; F2152-H2166 PolarHBondContact N-O 3.41Å; F2152-H2166 PolarHBondContact O-N 2.76Å; R2154-H2166 PolarHBondContact NE-NE2 3.39Å; A2163-H2166 PolarHBondContact O-NE2 3.28Å; H2166-V2208 HydrophobicContact CB-CG1 4.16Å; H2166-P2209 PolarHBondContact CE1-O 3.22Å; H2166-P2209 PolarHBondContact NE2-O 2.74Å; H2166-G2212 PolarHBondContact ND1-O 3.01Å; H2166-L2214 HydrophobicContact CB-CD2 3.72Å; H2166-L2214 HydrophobicContact CB-CG 4.24Å
2167S86.7Confident70.3Confident63 Ų6365.4 Ų65.444%0.44137%0.37SS..EExtended strand (participates in β ladder)trans-108.4151.6-177.355.30000112.3L2150L2150-S2167 CarbonylContact O-C 3.45Å; L2150-S2167 WeakPolarHBondContact O-CA 3.43Å
2168K88.4Confident70.8Confident58 Ų5870.1 Ų70.125%0.25239%0.392SS..EExtended strand (participates in β ladder)trans-151.7135.4167.3-170.2153.1-175.1151.70111.6S2149 L2150 W2170 L2214S2149-K2168 WeakPolarHBondContact CA-O 3.44Å; L2150-K2168 PolarHBondContact N-O 3.03Å; L2150-K2168 PolarHBondContact O-N 3.38Å; K2168-W2170 HydrophobicContact CB-CH2 4.29Å; K2168-W2170 HydrophobicContact CB-CZ2 4.24Å; K2168-W2170 HydrophobicContact CD-CZ2 4.01Å; K2168-W2170 HydrophobicContact CG-CH2 4.48Å; K2168-W2170 HydrophobicContact CG-CZ2 3.97Å; K2168-L2214 HydrophobicContact CB-CB 3.97Å; K2168-L2214 HydrophobicContact CB-CD1 4.04Å; K2168-L2214 HydrophobicContact CB-CG 4.33Å; K2168-L2214 HydrophobicContact CD-CB 4.16Å; K2168-L2214 WeakPolarHBondContact CD-O 3.34Å; K2168-L2214 PolarHBondContact NZ-O 3.26Å
2169S86.6Confident71.5Confident65 Ų6570.4 Ų70.446%0.45539%0.392SS..EExtended strand (participates in β ladder)trans-110.6124.5176.4510000110.4E2147 V2148E2147-S2169 WeakPolarHBondContact OE1-CB 3.37Å; V2148-S2169 CarbonylContact O-C 3.48Å; V2148-S2169 WeakPolarHBondContact O-CA 3.48Å
2170W85.9Confident72.2Confident18 Ų1867.8 Ų67.87%0.06838%0.378CS..EExtended strand (participates in β ladder)trans-99.7118.4171.1-61.1-84000109.5V2148 L2150 K2168 P2203 I2206 F2247V2148-W2170 HydrophobicContact CB-CE3 4.44Å; V2148-W2170 HydrophobicContact CG1-CE3 4.21Å; V2148-W2170 PolarHBondContact N-O 3.47Å; V2148-W2170 PolarHBondContact O-N 3.44Å; L2150-W2170 HydrophobicContact CB-CH2 4.05Å; L2150-W2170 HydrophobicContact CB-CZ3 3.67Å; L2150-W2170 HydrophobicContact CD2-CH2 4.22Å; L2150-W2170 HydrophobicContact CD2-CZ3 4.44Å; K2168-W2170 HydrophobicContact CB-CH2 4.29Å; K2168-W2170 HydrophobicContact CB-CZ2 4.24Å; K2168-W2170 HydrophobicContact CD-CZ2 4.01Å; K2168-W2170 HydrophobicContact CG-CH2 4.48Å; K2168-W2170 HydrophobicContact CG-CZ2 3.97Å; W2170-P2203 HydrophobicContact CH2-CG 3.71Å; W2170-P2203 HydrophobicContact CZ2-CG 3.5Å; W2170-P2203 HydrophobicContact CZ3-CG 4.25Å; W2170-I2206 HydrophobicContact CH2-CD1 3.99Å; W2170-F2247 AromaticContact CD1-CE2 3.91Å; W2170-F2247 HydrophobicContact CG-CE2 4.45Å
2171L85Confident73.1Confident78 Ų7865.9 Ų65.941%0.40837%0.368SS..EExtended strand (participates in β ladder)trans-93113.8175-62.7171.9000109.6N2145 E2147 R2244N2145-L2171 HydrophobicContact CB-CD2 4.29Å; E2147-L2171 HydrophobicContact CB-CD2 3.99Å; E2147-L2171 HydrophobicContact CG-CD2 4.07Å; L2171-R2244 PolarHBondContact O-NH2 3.11Å
2172V78.8Confident74.1Confident20 Ų2062 Ų6212%0.12136%0.355CS..EExtended strand (participates in β ladder)trans-105.3113.7176.7-178.10000108.4F2146 I2174 I2198F2146-V2172 HydrophobicContact CB-CB 4.36Å; F2146-V2172 PolarHBondContact N-O 3.31Å; F2146-V2172 PolarHBondContact O-N 2.91Å; V2172-I2174 PolarHBondContact O-N 3.35Å; V2172-I2198 HydrophobicContact CG1-CG2 4.1Å
2173P76.7Confident75Confident79 Ų7965.9 Ų65.951%0.51336%0.364SS..EExtended strand (participates in β ladder)trans-70.7125.5-179.428.2-33.3000110.7N2145 S2175N2145-P2173 WeakPolarHBondContact OD1-CA 3.41Å; P2173-S2175 PolarHBondContact O-N 2.97Å
2174I72Confident75.9Confident19 Ų1964.6 Ų64.610%0.09735%0.352CS..PPolyproline II helixtrans-72.8117.7172.8-58.3170.9000107.9L2138 V2144 F2146 V2172 R2181 I2184L2138-I2174 HydrophobicContact CD2-CD1 4.36Å; V2144-I2174 HydrophobicContact CB-CD1 4.44Å; V2144-I2174 HydrophobicContact CG1-CD1 4.27Å; V2144-I2174 WeakPolarHBondContact O-CB 3.17Å; V2144-I2174 WeakPolarHBondContact O-CG1 3.38Å; V2144-I2174 PolarHBondContact O-N 3.43Å; V2144-I2174 VanDerWaalsContact O-N 3.14Å; F2146-I2174 HydrophobicContact CB-CD1 4.42Å; F2146-I2174 HydrophobicContact CB-CG1 4.2Å; V2172-I2174 PolarHBondContact O-N 3.35Å; I2174-R2181 HydrophobicContact CG2-CG 4.4Å; I2174-I2184 HydrophobicContact CD1-CD1 4.34Å; I2174-I2184 HydrophobicContact CG2-CD1 3.96Å
2175S67.7Low76.5Confident49 Ų4962.6 Ų62.634%0.34334%0.341SS..PPolyproline II helixtrans-57.2158.2-176.565.80000112.5P2173 D2177 R2181P2173-S2175 PolarHBondContact O-N 2.97Å; S2175-D2177 PolarHBondContact O-N 2.84Å; S2175-R2181 PolarHBondContact O-NE 3.35Å
2176L62.9Low76.8Confident114 Ų11458 Ų5860%0.59732%0.323SS*.SBendtrans-72.93.5175.5-75161.3000112.9M2178L2176-M2178 PolarHBondContact O-N 3.17Å
2177D66.8Low76.5Confident90 Ų9058.1 Ų58.148%0.48132%0.324SS..  trans-61.7118.1176.4-89.6-44000111.4S2175 T2179 I2180 R2181S2175-D2177 PolarHBondContact O-N 2.84Å; D2177-T2179 PolarHBondContact O-N 3.37Å; D2177-T2179 VanDerWaalsContact O-N 3.14Å; D2177-I2180 HydrophobicContact CB-CB 4.48Å; D2177-I2180 HydrophobicContact CB-CD1 4.29Å; D2177-I2180 PolarHBondContact O-N 2.87Å; D2177-R2181 WeakPolarHBondContact O-CB 3.21Å; D2177-R2181 WeakPolarHBondContact O-CG 3.46Å; D2177-R2181 PolarHBondContact O-N 3.22Å; D2177-R2181 VanDerWaalsContact O-N 3.07Å
2178M68.6Low76.1Confident168 Ų16855.1 Ų55.183%0.82830%0.304SS*.Hα-helixtrans-57.7-27.1172.6-64.6-173.9-158.500112L2176 A2182L2176-M2178 PolarHBondContact O-N 3.17Å; M2178-A2182 WeakPolarHBondContact O-CB 3.26Å; M2178-A2182 PolarHBondContact O-N 3.25Å
2179T70.7Confident75.6Confident92 Ų9259.8 Ų59.856%0.56432%0.32SS*.Hα-helixtrans-70.2-45.4-178.557.60000112.5D2177 K2183D2177-T2179 PolarHBondContact O-N 3.37Å; D2177-T2179 VanDerWaalsContact O-N 3.14Å; T2179-K2183 WeakPolarHBondContact O-CG 3.25Å; T2179-K2183 PolarHBondContact O-N 3.28Å; T2179-K2183 VanDerWaalsContact O-N 3.12Å
2180I67.9Low74.8Confident57 Ų5757.9 Ų57.929%0.29231%0.31SS..Hα-helixtrans-71.7-43.9176.4-67.4162.2000109.5D2177 A2182 K2183 I2184D2177-I2180 HydrophobicContact CB-CB 4.48Å; D2177-I2180 HydrophobicContact CB-CD1 4.29Å; D2177-I2180 PolarHBondContact O-N 2.87Å; I2180-A2182 VanDerWaalsContact C-N 3.34Å; I2180-A2182 PolarHBondContact O-N 3.29Å; I2180-K2183 PolarHBondContact O-N 3.01Å; I2180-I2184 HydrophobicContact CG2-CD1 3.91Å; I2180-I2184 HydrophobicContact CG2-CG1 4.49Å; I2180-I2184 WeakPolarHBondContact O-CG1 3.39Å; I2180-I2184 PolarHBondContact O-N 3.5Å
2181R74.2Confident74Confident13 Ų1360.8 Ų60.85%0.04933%0.327CS..Hα-helixtrans-60.6-40.1176-70.5175.5170.9-125.20.9112.5L2138 R2140 T2142 I2174 S2175 D2177 I2184 Q2185L2138-R2181 PolarHBondContact O-NH1 3.08Å; L2138-R2181 VanDerWaalsContact O-NH1 3.08Å; R2140-R2181 PolarHBondContact O-NH1 2.99Å; T2142-R2181 PolarHBondContact O-NH2 3.49Å; I2174-R2181 HydrophobicContact CG2-CG 4.4Å; S2175-R2181 PolarHBondContact O-NE 3.35Å; D2177-R2181 WeakPolarHBondContact O-CB 3.21Å; D2177-R2181 WeakPolarHBondContact O-CG 3.46Å; D2177-R2181 PolarHBondContact O-N 3.22Å; D2177-R2181 VanDerWaalsContact O-N 3.07Å; R2181-I2184 PolarHBondContact O-N 3.48Å; R2181-Q2185 WeakPolarHBondContact O-CB 3.47Å; R2181-Q2185 WeakPolarHBondContact O-CG 3.32Å; R2181-Q2185 PolarHBondContact O-N 3.41Å
2182A76.6Confident73.1Confident48 Ų4863.2 Ų63.240%0.39735%0.347SS..Hα-helixtrans-68.3-35.7175.400000113M2178 I2180 Q2185 S2186M2178-A2182 WeakPolarHBondContact O-CB 3.26Å; M2178-A2182 PolarHBondContact O-N 3.25Å; I2180-A2182 VanDerWaalsContact C-N 3.34Å; I2180-A2182 PolarHBondContact O-N 3.29Å; A2182-Q2185 PolarHBondContact O-N 3.29Å; A2182-S2186 PolarHBondContact O-N 3.12Å; A2182-S2186 PolarHBondContact O-OG 3.01Å
2183K75.9Confident72.5Confident121 Ų12165.6 Ų65.653%0.52638%0.376SS..Hα-helixtrans-64.8-42.9171.8-76177.6-179.8-174.50111.9T2179 I2180 S2186 A2187T2179-K2183 WeakPolarHBondContact O-CG 3.25Å; T2179-K2183 PolarHBondContact O-N 3.28Å; T2179-K2183 VanDerWaalsContact O-N 3.12Å; I2180-K2183 PolarHBondContact O-N 3.01Å; K2183-S2186 WeakPolarHBondContact CA-OG 3.42Å; K2183-S2186 PolarHBondContact O-N 3.44Å; K2183-S2186 PolarHBondContact O-OG 2.91Å; K2183-S2186 VanDerWaalsContact O-OG 3.06Å; K2183-A2187 VanDerWaalsContact O-CB 3.28Å; K2183-A2187 WeakPolarHBondContact O-CB 3.23Å; K2183-A2187 PolarHBondContact O-N 3.02Å
2184I77.8Confident72.4Confident5 Ų565.7 Ų65.73%0.02637%0.369CS..Hα-helixtrans-63.4-43.6173.3-63.2166.5000110L2138 I2174 I2180 R2181 S2186 A2187 L2188 I2196L2138-I2184 HydrophobicContact CD1-CG2 3.58Å; L2138-I2184 HydrophobicContact CD2-CG2 4.48Å; I2174-I2184 HydrophobicContact CD1-CD1 4.34Å; I2174-I2184 HydrophobicContact CG2-CD1 3.96Å; I2180-I2184 HydrophobicContact CG2-CD1 3.91Å; I2180-I2184 HydrophobicContact CG2-CG1 4.49Å; I2180-I2184 WeakPolarHBondContact O-CG1 3.39Å; I2180-I2184 PolarHBondContact O-N 3.5Å; R2181-I2184 PolarHBondContact O-N 3.48Å; I2184-S2186 PolarHBondContact O-N 3.27Å; I2184-A2187 PolarHBondContact O-N 2.97Å; I2184-L2188 HydrophobicContact CG2-CD1 3.69Å; I2184-L2188 HydrophobicContact CG2-CG 4.15Å; I2184-L2188 VanDerWaalsContact O-CB 3.26Å; I2184-L2188 WeakPolarHBondContact O-CB 3.46Å; I2184-L2188 WeakPolarHBondContact O-CG 3.25Å; I2184-L2188 PolarHBondContact O-N 3.32Å; I2184-I2196 HydrophobicContact CB-CD1 4.5Å; I2184-I2196 HydrophobicContact CD1-CG2 4.4Å; I2184-I2196 HydrophobicContact CG1-CD1 4.3Å; I2184-I2196 HydrophobicContact CG1-CG1 4.22Å; I2184-I2196 HydrophobicContact CG1-CG2 3.78Å; I2184-I2196 HydrophobicContact CG2-CD1 4.24Å
2185Q79Confident72.5Confident40 Ų4067.9 Ų67.919%0.18738%0.384CS..Hα-helixtrans-63.6-40.3177.9-74168.712.200113.5L2138 R2181 A2182 L2188 R2189L2138-Q2185 HydrophobicContact CB-CG 4.39Å; R2181-Q2185 WeakPolarHBondContact O-CB 3.47Å; R2181-Q2185 WeakPolarHBondContact O-CG 3.32Å; R2181-Q2185 PolarHBondContact O-N 3.41Å; A2182-Q2185 PolarHBondContact O-N 3.29Å; Q2185-L2188 PolarHBondContact O-N 3.22Å; Q2185-R2189 WeakPolarHBondContact O-CB 3.44Å; Q2185-R2189 VanDerWaalsContact O-CG 3.27Å; Q2185-R2189 WeakPolarHBondContact O-CG 3.43Å; Q2185-R2189 PolarHBondContact O-N 3.49Å
2186S80.4Confident73.1Confident19 Ų1965.8 Ų65.813%0.13337%0.37CS..Hα-helixtrans-70.5-43.2176.943.80000111.9A2182 K2183 I2184 L2188 R2189 G2190 D2191A2182-S2186 PolarHBondContact O-N 3.12Å; A2182-S2186 PolarHBondContact O-OG 3.01Å; K2183-S2186 WeakPolarHBondContact CA-OG 3.42Å; K2183-S2186 PolarHBondContact O-N 3.44Å; K2183-S2186 PolarHBondContact O-OG 2.91Å; K2183-S2186 VanDerWaalsContact O-OG 3.06Å; I2184-S2186 PolarHBondContact O-N 3.27Å; S2186-L2188 VanDerWaalsContact C-N 3.34Å; S2186-L2188 PolarHBondContact O-N 3.42Å; S2186-R2189 WeakPolarHBondContact O-CB 3.41Å; S2186-R2189 PolarHBondContact O-N 2.9Å; S2186-R2189 VanDerWaalsContact O-N 3.11Å; S2186-G2190 PolarHBondContact O-N 2.96Å; S2186-G2190 VanDerWaalsContact O-N 3.14Å; S2186-D2191 PolarHBondContact O-N 2.88Å
2187A78.3Confident74Confident4 Ų464.9 Ų64.93%0.03337%0.365CS..Hα-helixtrans-56.4-46.8169.900000111.7K2183 I2184 R2189 G2190 H2194 I2196 L2254 W2265K2183-A2187 VanDerWaalsContact O-CB 3.28Å; K2183-A2187 WeakPolarHBondContact O-CB 3.23Å; K2183-A2187 PolarHBondContact O-N 3.02Å; I2184-A2187 PolarHBondContact O-N 2.97Å; A2187-R2189 VanDerWaalsContact C-N 3.28Å; A2187-R2189 PolarHBondContact O-N 3.32Å; A2187-G2190 PolarHBondContact O-N 2.92Å; A2187-G2190 VanDerWaalsContact O-N 3.12Å; A2187-H2194 HydrophobicContact CB-CB 4.4Å; A2187-H2194 WeakPolarHBondContact CB-O 3.44Å; A2187-I2196 HydrophobicContact CB-CD1 3.82Å; A2187-I2196 HydrophobicContact CB-CG1 3.65Å; A2187-L2254 VanDerWaalsContact O-CD2 3.26Å; A2187-L2254 WeakPolarHBondContact O-CD2 3.14Å; A2187-W2265 HydrophobicContact CB-CH2 4.5Å
2188L78.7Confident74.5Confident1 Ų161.2 Ų61.21%0.00535%0.345CS..Hα-helixtrans-66.1-24.9176.8-71.8172000113.6W2124 R2131 M2134 I2135 L2138 I2184 Q2185 S2186 W2265W2124-L2188 HydrophobicContact CH2-CD2 3.43Å; W2124-L2188 VanDerWaalsContact CH2-CD2 3.43Å; W2124-L2188 HydrophobicContact CZ2-CD2 4.02Å; W2124-L2188 HydrophobicContact CZ3-CD2 4.28Å; R2131-L2188 PolarHBondContact NE-O 3.1Å; R2131-L2188 PolarHBondContact NH2-O 3.3Å; M2134-L2188 HydrophobicContact CG-CD1 3.95Å; M2134-L2188 HydrophobicContact SD-CD1 3.63Å; M2134-L2188 HydrophobicContact SD-CD2 3.53Å; M2134-L2188 VanDerWaalsContact SD-CD2 3.53Å; M2134-L2188 HydrophobicContact SD-CG 4.27Å; I2135-L2188 HydrophobicContact CD1-CB 4.27Å; I2135-L2188 HydrophobicContact CG1-CB 4.02Å; I2135-L2188 HydrophobicContact CG1-CD1 4.19Å; L2138-L2188 HydrophobicContact CD1-CD1 3.34Å; I2184-L2188 HydrophobicContact CG2-CD1 3.69Å; I2184-L2188 HydrophobicContact CG2-CG 4.15Å; I2184-L2188 VanDerWaalsContact O-CB 3.26Å; I2184-L2188 WeakPolarHBondContact O-CB 3.46Å; I2184-L2188 WeakPolarHBondContact O-CG 3.25Å; I2184-L2188 PolarHBondContact O-N 3.32Å; Q2185-L2188 PolarHBondContact O-N 3.22Å; S2186-L2188 VanDerWaalsContact C-N 3.34Å; S2186-L2188 PolarHBondContact O-N 3.42Å; L2188-W2265 HydrophobicContact CD2-CH2 4.4Å; L2188-W2265 HydrophobicContact CD2-CZ2 4.09Å
2189R78.2Confident74.9Confident156 Ų15657 Ų5759%0.58933%0.33SS*.Hα-helixtrans-76-25.2173.1-79172.3-177.4-175.32.3112.7R2131 I2135 Q2185 S2186 A2187R2131-R2189 PolarHBondContact NH2-O 3.22Å; I2135-R2189 HydrophobicContact CD1-CG 4.42Å; Q2185-R2189 WeakPolarHBondContact O-CB 3.44Å; Q2185-R2189 VanDerWaalsContact O-CG 3.27Å; Q2185-R2189 WeakPolarHBondContact O-CG 3.43Å; Q2185-R2189 PolarHBondContact O-N 3.49Å; S2186-R2189 WeakPolarHBondContact O-CB 3.41Å; S2186-R2189 PolarHBondContact O-N 2.9Å; S2186-R2189 VanDerWaalsContact O-N 3.11Å; A2187-R2189 VanDerWaalsContact C-N 3.28Å; A2187-R2189 PolarHBondContact O-N 3.32Å
2190G68.2Low75.3Confident24 Ų2454.8 Ų54.825%0.24731%0.313CS..THydrogen-bonded Turntrans982218000000113.7S2186 A2187 P2192S2186-G2190 PolarHBondContact O-N 2.96Å; S2186-G2190 VanDerWaalsContact O-N 3.14Å; A2187-G2190 PolarHBondContact O-N 2.92Å; A2187-G2190 VanDerWaalsContact O-N 3.12Å; G2190-P2192 VanDerWaalsContact O-CD 3.29Å; G2190-P2192 WeakPolarHBondContact O-CD 3.37Å
2191D69.8Low75.8Confident80 Ų8052.1 Ų52.143%0.42830%0.3SS..  trans-73111.5175.4-66.7-42.9000109.8S2186 G2193 H2194S2186-D2191 PolarHBondContact O-N 2.88Å; D2191-G2193 PolarHBondContact O-N 3.38Å; D2191-H2194 PolarHBondContact O-ND1 3.16Å
2192P65.9Low76.4Confident128 Ų12851.5 Ų51.583%0.83130%0.297SS*.THydrogen-bonded Turntrans-62.3132.9-176.125.6-33.9000111G2190G2190-P2192 VanDerWaalsContact O-CD 3.29Å; G2190-P2192 WeakPolarHBondContact O-CD 3.37Å
2193G66.3Low76.8Confident70 Ų7049.2 Ų49.272%0.72228%0.279SS*.THydrogen-bonded Turntrans106.88177.800000116.6D2191 P2195D2191-G2193 PolarHBondContact O-N 3.38Å; G2193-P2195 WeakPolarHBondContact O-CD 3.35Å
2194H73.8Confident77Confident82 Ų8243.7 Ų43.738%0.3826%0.255SS..  trans-109.587.1179.2-65.390.4000112.9A2187 D2191A2187-H2194 HydrophobicContact CB-CB 4.4Å; A2187-H2194 WeakPolarHBondContact CB-O 3.44Å; D2191-H2194 PolarHBondContact O-ND1 3.16Å
2195P75.5Confident77.5Confident64 Ų6443.6 Ų43.642%0.41626%0.255SS..  trans-68136.8172.926.4-33.7000111.9G2193 L2197 N2253G2193-P2195 WeakPolarHBondContact O-CD 3.35Å; P2195-L2197 PolarHBondContact O-N 3.01Å; P2195-N2253 WeakPolarHBondContact CA-OD1 3.46Å; P2195-N2253 VanDerWaalsContact CB-OD1 3.29Å; P2195-N2253 WeakPolarHBondContact CB-OD1 3.47Å
2196I78.9Confident78Confident6 Ų641.7 Ų41.73%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-88105.6169.3-56.7174.4000108.1I2184 A2187 I2198 T2251 L2252 W2265I2184-I2196 HydrophobicContact CB-CD1 4.5Å; I2184-I2196 HydrophobicContact CD1-CG2 4.4Å; I2184-I2196 HydrophobicContact CG1-CD1 4.3Å; I2184-I2196 HydrophobicContact CG1-CG1 4.22Å; I2184-I2196 HydrophobicContact CG1-CG2 3.78Å; I2184-I2196 HydrophobicContact CG2-CD1 4.24Å; A2187-I2196 HydrophobicContact CB-CD1 3.82Å; A2187-I2196 HydrophobicContact CB-CG1 3.65Å; I2196-I2198 HydrophobicContact CG2-CD1 3.92Å; I2196-I2198 HydrophobicContact CG2-CG1 3.86Å; I2196-T2251 CarbonylContact O-C 3.6Å; I2196-T2251 WeakPolarHBondContact O-CA 3.48Å; I2196-L2252 HydrophobicContact CB-CB 4.17Å; I2196-L2252 PolarHBondContact N-O 3.48Å; I2196-L2252 PolarHBondContact O-N 3.17Å; I2196-W2265 HydrophobicContact CD1-CH2 3.63Å; I2196-W2265 HydrophobicContact CD1-CZ3 3.67Å; I2196-W2265 HydrophobicContact CG1-CZ3 4.46Å
2197L81.7Confident78.5Confident94 Ų9442.4 Ų42.449%0.49225%0.247SC..EExtended strand (participates in β ladder)trans-92124.2173.217768000110.2P2195 T2251P2195-L2197 PolarHBondContact O-N 3.01Å; L2197-T2251 HydrophobicContact CB-CG2 4.43Å; L2197-T2251 HydrophobicContact CD1-CG2 3.49Å; L2197-T2251 VanDerWaalsContact CD1-CG2 3.49Å
2198I78.7Confident78.9Confident14 Ų1442.4 Ų42.47%0.07225%0.247CC..EExtended strand (participates in β ladder)trans-123.4102178.2-57.2177.4000108.4F2146 V2172 I2196 S2201 S2249 L2250F2146-I2198 HydrophobicContact CD1-CD1 3.75Å; F2146-I2198 HydrophobicContact CD1-CG2 4.15Å; F2146-I2198 HydrophobicContact CD2-CD1 3.43Å; F2146-I2198 VanDerWaalsContact CD2-CD1 3.43Å; F2146-I2198 HydrophobicContact CE1-CD1 3.51Å; F2146-I2198 HydrophobicContact CE1-CG2 4.38Å; F2146-I2198 HydrophobicContact CE2-CD1 3.19Å; F2146-I2198 HydrophobicContact CG-CD1 3.68Å; F2146-I2198 HydrophobicContact CZ-CD1 3.2Å; V2172-I2198 HydrophobicContact CG1-CG2 4.1Å; I2196-I2198 HydrophobicContact CG2-CD1 3.92Å; I2196-I2198 HydrophobicContact CG2-CG1 3.86Å; I2198-S2201 PolarHBondContact O-OG 3.26Å; I2198-S2249 WeakPolarHBondContact O-CA 3.33Å; I2198-L2250 PolarHBondContact N-O 2.69Å; I2198-L2250 PolarHBondContact O-N 3.06Å
2199P76.9Confident79Confident79 Ų7943 Ų4351%0.51325%0.251SS..EExtended strand (participates in β ladder)trans-65.4147.8-178.828-34000111.4S2201P2199-S2201 PolarHBondContact O-N 3.45Å
2200Q78.2Confident78.7Confident46 Ų4637.3 Ų37.322%0.21523%0.232CC..EExtended strand (participates in β ladder)trans5548.8166-60173.1-23.800115R2244 F2247 D2248Q2200-R2244 HydrophobicContact CB-CB 4.46Å; Q2200-F2247 HydrophobicContact CB-CB 4.31Å; Q2200-D2248 PolarHBondContact N-O 2.75Å
2201S79.4Confident78.8Confident0 Ų041.6 Ų41.60%025%0.246CC..EExtended strand (participates in β ladder)trans-110.4-23.9-169.152.10000115.9I2198 P2199 D2248 L2250I2198-S2201 PolarHBondContact O-OG 3.26Å; P2199-S2201 PolarHBondContact O-N 3.45Å; S2201-D2248 PolarHBondContact N-O 2.67Å; S2201-L2250 WeakPolarHBondContact OG-CB 3.39Å
2202I85.6Confident79Confident1 Ų140 Ų401%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-132.6130.2179.2-167.7173.2000112L2041 V2148 F2247 D2248 L2294 V2296L2041-I2202 HydrophobicContact CD1-CD1 4.04Å; L2041-I2202 HydrophobicContact CD2-CD1 3.74Å; V2148-I2202 HydrophobicContact CG1-CG1 4.44Å; I2202-F2247 WeakPolarHBondContact O-CB 3.24Å; I2202-D2248 HydrophobicContact CG2-CB 3.81Å; I2202-D2248 PolarHBondContact N-O 3.33Å; I2202-D2248 PolarHBondContact O-N 3.35Å; I2202-L2294 HydrophobicContact CD1-CD1 4.28Å; I2202-V2296 HydrophobicContact CD1-CG2 3.97Å; I2202-V2296 HydrophobicContact CG1-CG2 4.37Å
2203P85.8Confident79.8Confident0 Ų040.3 Ų40.30%024%0.238CC..  trans-81129.4179.628.7-31.6000112.5W2170 F2205 I2206 L2216 W2246 F2247W2170-P2203 HydrophobicContact CH2-CG 3.71Å; W2170-P2203 HydrophobicContact CZ2-CG 3.5Å; W2170-P2203 HydrophobicContact CZ3-CG 4.25Å; P2203-F2205 VanDerWaalsContact C-N 3.3Å; P2203-F2205 PolarHBondContact O-N 3.35Å; P2203-I2206 HydrophobicContact CB-CG1 4.38Å; P2203-I2206 HydrophobicContact CG-CD1 3.91Å; P2203-I2206 HydrophobicContact CG-CG1 3.98Å; P2203-L2216 HydrophobicContact CB-CD2 3.75Å; P2203-L2216 HydrophobicContact CG-CD2 3.98Å; P2203-W2246 HydrophobicContact CB-CH2 4.17Å; P2203-W2246 HydrophobicContact CB-CZ3 4.38Å; P2203-F2247 HydrophobicContact CB-CD1 3.88Å; P2203-F2247 HydrophobicContact CB-CE1 3.76Å; P2203-F2247 HydrophobicContact CB-CE2 4.38Å; P2203-F2247 HydrophobicContact CB-CG 4.28Å; P2203-F2247 HydrophobicContact CB-CZ 4.02Å; P2203-F2247 HydrophobicContact CG-CZ 4.43Å
2204A80.7Confident80.7Confident5 Ų537 Ų374%0.04120%0.204CC..SBendtrans-69.1-23.4177.900000114.3W2280 V2297A2204-W2280 HydrophobicContact CB-CE3 4.29Å; A2204-W2280 HydrophobicContact CB-CZ3 3.82Å; A2204-V2297 WeakPolarHBondContact O-CB 3.47Å; A2204-V2297 PolarHBondContact O-N 2.81Å
2205F88Confident81.2Confident3 Ų335.6 Ų35.61%0.01320%0.201CC..EExtended strand (participates in β ladder)trans-129.8131.5-178.1-61.7-76.3000111.2L2077 P2203 P2217 I2220 I2224 W2246 W2280 V2297 F2299L2077-F2205 HydrophobicContact CD1-CE1 4.35Å; L2077-F2205 HydrophobicContact CD1-CZ 4.07Å; L2077-F2205 HydrophobicContact CD2-CE1 4.28Å; P2203-F2205 VanDerWaalsContact C-N 3.3Å; P2203-F2205 PolarHBondContact O-N 3.35Å; F2205-P2217 HydrophobicContact CB-CG 3.66Å; F2205-P2217 VanDerWaalsContact O-CD 3.28Å; F2205-P2217 WeakPolarHBondContact O-CD 3.3Å; F2205-I2220 HydrophobicContact CD2-CG2 4.07Å; F2205-I2220 HydrophobicContact CE2-CG2 4.22Å; F2205-I2220 HydrophobicContact CG-CG2 4.47Å; F2205-I2224 HydrophobicContact CD2-CD1 4.37Å; F2205-I2224 HydrophobicContact CE2-CD1 4.25Å; F2205-W2246 HydrophobicContact CB-CH2 4.31Å; F2205-W2246 HydrophobicContact CB-CZ3 3.89Å; F2205-W2246 HydrophobicContact CD2-CE3 4.42Å; F2205-W2246 HydrophobicContact CD2-CZ3 4.02Å; F2205-W2246 HydrophobicContact CG-CZ3 4.47Å; F2205-W2246 WeakPolarHBondContact O-CH2 3.49Å; F2205-W2280 HydrophobicContact CD2-CZ3 4.37Å; F2205-W2280 HydrophobicContact CE2-CE3 4.08Å; F2205-W2280 AromaticContact CE2-CZ3 3.81Å; F2205-W2280 HydrophobicContact CE2-CZ3 3.81Å; F2205-V2297 CarbonylContact C-O 3.49Å; F2205-V2297 WeakPolarHBondContact CA-O 3.44Å; F2205-V2297 HydrophobicContact CD1-CB 3.79Å; F2205-V2297 HydrophobicContact CD1-CG1 4.08Å; F2205-V2297 HydrophobicContact CD1-CG2 4.24Å; F2205-V2297 HydrophobicContact CE1-CB 4.2Å; F2205-V2297 HydrophobicContact CE1-CG1 4.38Å; F2205-V2297 HydrophobicContact CE1-CG2 4.2Å; F2205-F2299 HydrophobicContact CB-CE2 4.23Å; F2205-F2299 AromaticContact CD1-CE2 3.96Å; F2205-F2299 HydrophobicContact CD1-CE2 3.96Å; F2205-F2299 HydrophobicContact CD1-CZ 4.29Å
2206I89.9Confident81.6Confident0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-140.9143.5-174-56.2-177.5000109.5L2150 F2152 W2170 P2203 L2214 V2296 V2297 G2298 F2299L2150-I2206 HydrophobicContact CD2-CD1 3.16Å; F2152-I2206 HydrophobicContact CE2-CG2 4.47Å; W2170-I2206 HydrophobicContact CH2-CD1 3.99Å; P2203-I2206 HydrophobicContact CB-CG1 4.38Å; P2203-I2206 HydrophobicContact CG-CD1 3.91Å; P2203-I2206 HydrophobicContact CG-CG1 3.98Å; I2206-L2214 HydrophobicContact CG2-CB 3.96Å; I2206-L2214 HydrophobicContact CG2-CD1 4.43Å; I2206-L2214 HydrophobicContact CG2-CD2 4.23Å; I2206-L2214 HydrophobicContact CG2-CG 4.44Å; I2206-V2296 HydrophobicContact CD1-CG1 3.48Å; I2206-V2296 VanDerWaalsContact CD1-CG1 3.48Å; I2206-V2296 HydrophobicContact CG1-CG1 3.94Å; I2206-V2297 PolarHBondContact N-O 3.43Å; I2206-G2298 CarbonylContact O-C 3.4Å; I2206-G2298 WeakPolarHBondContact O-CA 3.4Å; I2206-F2299 WeakPolarHBondContact O-CD2 3.4Å; I2206-F2299 PolarHBondContact O-N 2.91Å
2207Q89.2Confident81.9Confident34 Ų3434.4 Ų34.416%0.15919%0.191CC..EExtended strand (participates in β ladder)trans-105.9135.3169.1178-167.212.800110Y2102 Y2106 P2209 T2215 F2299 D2301Y2102-Q2207 PolarHBondContact OH-OE1 2.9Å; Y2106-Q2207 PolarHBondContact OH-NE2 3.48Å; Q2207-P2209 VanDerWaalsContact O-CD 3.3Å; Q2207-P2209 WeakPolarHBondContact O-CD 3.24Å; Q2207-T2215 VanDerWaalsContact CB-OG1 3.3Å; Q2207-T2215 WeakPolarHBondContact CB-OG1 3.31Å; Q2207-T2215 VanDerWaalsContact CD-OG1 3.31Å; Q2207-T2215 WeakPolarHBondContact CG-OG1 3.29Å; Q2207-T2215 PolarHBondContact N-O 3.1Å; Q2207-T2215 PolarHBondContact O-N 3.1Å; Q2207-T2215 PolarHBondContact O-OG1 3.42Å; Q2207-T2215 PolarHBondContact OE1-OG1 3.38Å; Q2207-F2299 CarbonylContact C-O 3.58Å; Q2207-F2299 WeakPolarHBondContact CA-O 3.49Å; Q2207-F2299 HydrophobicContact CB-CB 4.39Å; Q2207-D2301 PolarHBondContact NE2-OD1 3.11Å
2208V86.7Confident81.7Confident3 Ų334.6 Ų34.62%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-105.792.4176.8-166.20000107.6F2152 R2154 H2166 L2214 F2299 I2300 D2301F2152-V2208 HydrophobicContact CB-CG1 4.44Å; F2152-V2208 HydrophobicContact CD1-CG2 4.02Å; F2152-V2208 HydrophobicContact CD2-CG2 4.21Å; F2152-V2208 HydrophobicContact CE1-CG2 4Å; F2152-V2208 HydrophobicContact CE2-CG2 4.16Å; F2152-V2208 HydrophobicContact CG-CG2 4.13Å; F2152-V2208 HydrophobicContact CZ-CG2 4.07Å; R2154-V2208 PolarHBondContact NH2-O 2.95Å; H2166-V2208 HydrophobicContact CB-CG1 4.16Å; V2208-L2214 HydrophobicContact CB-CD2 4.3Å; V2208-L2214 HydrophobicContact CG1-CD2 4.07Å; V2208-L2214 HydrophobicContact CG2-CD2 3.99Å; V2208-F2299 PolarHBondContact N-O 3.3Å; V2208-I2300 HydrophobicContact CG2-CG1 4.49Å; V2208-D2301 PolarHBondContact O-N 2.92Å
2209P81.8Confident81.8Confident14 Ų1434.6 Ų34.69%0.09120%0.197CC..  trans-69.1163.3-177.629.7-35.9000111.7R2154 H2166 Q2207 Q2211 E2213 D2301R2154-P2209 PolarHBondContact NH2-O 3.25Å; H2166-P2209 PolarHBondContact CE1-O 3.22Å; H2166-P2209 PolarHBondContact NE2-O 2.74Å; Q2207-P2209 VanDerWaalsContact O-CD 3.3Å; Q2207-P2209 WeakPolarHBondContact O-CD 3.24Å; P2209-Q2211 VanDerWaalsContact C-N 3.29Å; P2209-Q2211 PolarHBondContact O-N 3.39Å; P2209-E2213 WeakPolarHBondContact CG-O 3.47Å; P2209-D2301 WeakPolarHBondContact CA-OD2 3.45Å
2210N71.9Confident81.9Confident37 Ų3730.8 Ų30.820%0.19817%0.173CC..SBendtrans-63.1-32.8175-77.1-32.8000113.9D2301 R2302 A2303N2210-D2301 PolarHBondContact OD1-O 3.19Å; N2210-D2301 VanDerWaalsContact OD1-O 3.07Å; N2210-R2302 PolarHBondContact ND2-O 2.98Å; N2210-R2302 PolarHBondContact OD1-O 2.95Å; N2210-A2303 WeakPolarHBondContact OD1-CA 3.38Å; N2210-A2303 PolarHBondContact OD1-N 3.22Å
2211Q70Confident81.9Confident114 Ų11428.7 Ų28.753%0.53316%0.163SC..SBendtrans-144134.7179.5-63.9-169.2-33.300108.4N2161 P2209N2161-Q2211 PolarHBondContact O-NE2 3.26Å; P2209-Q2211 VanDerWaalsContact C-N 3.29Å; P2209-Q2211 PolarHBondContact O-N 3.39Å
2212G74.6Confident81.8Confident45 Ų4531.9 Ų31.946%0.46418%0.18SC..SBendtrans107.3-176.6179.900000114.5H2166H2166-G2212 PolarHBondContact ND1-O 3.01Å
2213E82.1Confident81.4Confident136 Ų13632 Ų3264%0.63618%0.181SC*.SBendtrans-72165.2178.8-61.7173.8-172.600112.6P2209 T2215P2209-E2213 WeakPolarHBondContact CG-O 3.47Å; E2213-T2215 PolarHBondContact O-N 3.44Å
2214L84.8Confident80.9Confident1 Ų133 Ų331%0.00519%0.186CC..PPolyproline II helixtrans-61.2126.6175.8-59.2170.8000111.5L2150 F2152 H2166 K2168 I2206 V2208L2150-L2214 HydrophobicContact CB-CD1 4.38Å; L2150-L2214 HydrophobicContact CD2-CD1 4.22Å; L2150-L2214 HydrophobicContact CG-CD1 4.27Å; F2152-L2214 HydrophobicContact CD2-CD1 3.77Å; F2152-L2214 HydrophobicContact CD2-CD2 3.56Å; F2152-L2214 HydrophobicContact CD2-CG 4.31Å; F2152-L2214 HydrophobicContact CE2-CD1 4.04Å; F2152-L2214 HydrophobicContact CE2-CD2 4.01Å; F2152-L2214 HydrophobicContact CG-CD2 4.34Å; H2166-L2214 HydrophobicContact CB-CD2 3.72Å; H2166-L2214 HydrophobicContact CB-CG 4.24Å; K2168-L2214 HydrophobicContact CB-CB 3.97Å; K2168-L2214 HydrophobicContact CB-CD1 4.04Å; K2168-L2214 HydrophobicContact CB-CG 4.33Å; K2168-L2214 HydrophobicContact CD-CB 4.16Å; K2168-L2214 WeakPolarHBondContact CD-O 3.34Å; K2168-L2214 PolarHBondContact NZ-O 3.26Å; I2206-L2214 HydrophobicContact CG2-CB 3.96Å; I2206-L2214 HydrophobicContact CG2-CD1 4.43Å; I2206-L2214 HydrophobicContact CG2-CD2 4.23Å; I2206-L2214 HydrophobicContact CG2-CG 4.44Å; V2208-L2214 HydrophobicContact CB-CD2 4.3Å; V2208-L2214 HydrophobicContact CG1-CD2 4.07Å; V2208-L2214 HydrophobicContact CG2-CD2 3.99Å
2215T85.7Confident80.5Confident51 Ų5134.1 Ų34.131%0.31319%0.191SC..BIsolated β-bridgetrans-97.1155.3178.146.90000110.9Q2207 E2213Q2207-T2215 VanDerWaalsContact CB-OG1 3.3Å; Q2207-T2215 WeakPolarHBondContact CB-OG1 3.31Å; Q2207-T2215 VanDerWaalsContact CD-OG1 3.31Å; Q2207-T2215 WeakPolarHBondContact CG-OG1 3.29Å; Q2207-T2215 PolarHBondContact N-O 3.1Å; Q2207-T2215 PolarHBondContact O-N 3.1Å; Q2207-T2215 PolarHBondContact O-OG1 3.42Å; Q2207-T2215 PolarHBondContact OE1-OG1 3.38Å; E2213-T2215 PolarHBondContact O-N 3.44Å
2216L83.6Confident79.5Confident44 Ų4437.5 Ų37.523%0.2321%0.21CC..PPolyproline II helixtrans-99.1133.8174.1-66.9166.2000108.1P2203 T2218 W2246 F2247P2203-L2216 HydrophobicContact CB-CD2 3.75Å; P2203-L2216 HydrophobicContact CG-CD2 3.98Å; L2216-T2218 VanDerWaalsContact C-N 3.28Å; L2216-T2218 PolarHBondContact O-N 2.94Å; L2216-W2246 HydrophobicContact CB-CZ2 4.3Å; L2216-W2246 HydrophobicContact CD2-CH2 4.03Å; L2216-W2246 HydrophobicContact CD2-CZ2 4.08Å; L2216-F2247 HydrophobicContact CD1-CE1 4.26Å; L2216-F2247 HydrophobicContact CD1-CZ 3.9Å; L2216-F2247 HydrophobicContact CD2-CE1 4.29Å; L2216-F2247 HydrophobicContact CD2-CZ 4.24Å
2217P83.8Confident78.2Confident1 Ų139 Ų391%0.00622%0.217CC..  trans-72.982178.129-32.9000110.4Y2102 F2205 S2219 I2220 G2221 F2299Y2102-P2217 HydrophobicContact CE1-CB 3.68Å; F2205-P2217 HydrophobicContact CB-CG 3.66Å; F2205-P2217 VanDerWaalsContact O-CD 3.28Å; F2205-P2217 WeakPolarHBondContact O-CD 3.3Å; P2217-S2219 PolarHBondContact O-N 3.39Å; P2217-S2219 VanDerWaalsContact O-N 3.14Å; P2217-I2220 HydrophobicContact CB-CB 4.35Å; P2217-I2220 HydrophobicContact CB-CD1 4.1Å; P2217-I2220 HydrophobicContact CB-CG1 4.32Å; P2217-I2220 HydrophobicContact CG-CB 4.49Å; P2217-I2220 HydrophobicContact CG-CD1 4.4Å; P2217-I2220 PolarHBondContact O-N 3.21Å; P2217-G2221 PolarHBondContact O-N 3.47Å; P2217-F2299 HydrophobicContact CG-CD2 4.45Å; P2217-F2299 HydrophobicContact CG-CE2 4.3Å
2218T78.2Confident76.4Confident98 Ų9840.1 Ų40.160%0.60124%0.238SC*.Hα-helixtrans-61.9-23.3-173.557.10000113.8L2216 N2222L2216-T2218 VanDerWaalsContact C-N 3.28Å; L2216-T2218 PolarHBondContact O-N 2.94Å; T2218-N2222 WeakPolarHBondContact O-CB 3.45Å; T2218-N2222 PolarHBondContact O-N 2.91Å; T2218-N2222 PolarHBondContact O-ND2 3.45Å
2219S80.3Confident75Confident14 Ų1445.8 Ų45.810%0.09827%0.268CS..Hα-helixtrans-58.6-55.5169.647.60000111.2S2099 Y2102 P2217 N2222 T2223S2099-S2219 VanDerWaalsContact OG-C 3.25Å; S2099-S2219 PolarHBondContact OG-O 3.29Å; Y2102-S2219 WeakPolarHBondContact CB-OG 3.48Å; Y2102-S2219 WeakPolarHBondContact CD2-OG 3.35Å; P2217-S2219 PolarHBondContact O-N 3.39Å; P2217-S2219 VanDerWaalsContact O-N 3.14Å; S2219-N2222 PolarHBondContact O-N 2.89Å; S2219-T2223 PolarHBondContact O-N 2.96Å; S2219-T2223 PolarHBondContact O-OG1 3.26Å
2220I80.1Confident73.6Confident0 Ų050 Ų500%030%0.296CS..Hα-helixtrans-64.7-45.7178.8-58.1178.1000110.3L2081 Y2102 F2205 P2217 N2222 T2223 I2224 F2299L2081-I2220 HydrophobicContact CD1-CG1 4.47Å; L2081-I2220 HydrophobicContact CD2-CG2 4.41Å; Y2102-I2220 HydrophobicContact CD1-CD1 3.97Å; Y2102-I2220 HydrophobicContact CD1-CG1 4.25Å; Y2102-I2220 HydrophobicContact CE1-CD1 4.16Å; F2205-I2220 HydrophobicContact CD2-CG2 4.07Å; F2205-I2220 HydrophobicContact CE2-CG2 4.22Å; F2205-I2220 HydrophobicContact CG-CG2 4.47Å; P2217-I2220 HydrophobicContact CB-CB 4.35Å; P2217-I2220 HydrophobicContact CB-CD1 4.1Å; P2217-I2220 HydrophobicContact CB-CG1 4.32Å; P2217-I2220 HydrophobicContact CG-CB 4.49Å; P2217-I2220 HydrophobicContact CG-CD1 4.4Å; P2217-I2220 PolarHBondContact O-N 3.21Å; I2220-N2222 VanDerWaalsContact C-N 3.33Å; I2220-N2222 PolarHBondContact O-N 2.74Å; I2220-T2223 WeakPolarHBondContact CA-OG1 3.29Å; I2220-T2223 PolarHBondContact O-N 2.91Å; I2220-T2223 PolarHBondContact O-OG1 3.32Å; I2220-I2224 HydrophobicContact CG2-CD1 3.96Å; I2220-I2224 VanDerWaalsContact O-CG1 3.32Å; I2220-I2224 WeakPolarHBondContact O-CG1 3.32Å; I2220-I2224 PolarHBondContact O-N 3.16Å; I2220-I2224 VanDerWaalsContact O-N 3.08Å; I2220-F2299 HydrophobicContact CD1-CE2 3.87Å; I2220-F2299 HydrophobicContact CD1-CZ 3.65Å
2221G76.7Confident72.9Confident2 Ų255.1 Ų55.12%0.02131%0.312CS..Hα-helixtrans-57.4-44.117500000112.7P2217 T2223 I2224 I2225P2217-G2221 PolarHBondContact O-N 3.47Å; G2221-T2223 VanDerWaalsContact C-N 3.34Å; G2221-T2223 PolarHBondContact O-N 2.96Å; G2221-I2224 PolarHBondContact O-N 3.49Å; G2221-I2224 VanDerWaalsContact O-N 3.16Å; G2221-I2225 WeakPolarHBondContact O-CD1 3.5Å; G2221-I2225 VanDerWaalsContact O-CG1 3.27Å; G2221-I2225 WeakPolarHBondContact O-CG1 3.48Å; G2221-I2225 PolarHBondContact O-N 2.93Å
2222N77.5Confident72.6Confident66 Ų6650.9 Ų50.935%0.35329%0.293SS..Hα-helixtrans-67.4-29.8179.7-78.4-39.1000113.7R2095 T2218 S2219 I2220 N2226R2095-N2222 WeakPolarHBondContact CD-O 3.33Å; T2218-N2222 WeakPolarHBondContact O-CB 3.45Å; T2218-N2222 PolarHBondContact O-N 2.91Å; T2218-N2222 PolarHBondContact O-ND2 3.45Å; S2219-N2222 PolarHBondContact O-N 2.89Å; I2220-N2222 VanDerWaalsContact C-N 3.33Å; I2220-N2222 PolarHBondContact O-N 2.74Å; N2222-N2226 WeakPolarHBondContact O-CB 3.37Å; N2222-N2226 PolarHBondContact O-N 3.08Å; N2222-N2226 PolarHBondContact O-ND2 3.06Å
2223T77.6Confident72.1Confident5 Ų554.1 Ų54.13%0.03130%0.3CS..Hα-helixtrans-72.6-34.3170.934.10000112.6R2095 S2099 S2219 I2220 G2221 D2227R2095-T2223 HydrophobicContact CB-CG2 3.7Å; R2095-T2223 VanDerWaalsContact O-CG2 3.26Å; R2095-T2223 WeakPolarHBondContact O-CG2 3.33Å; S2099-T2223 WeakPolarHBondContact OG-CG2 3.38Å; S2099-T2223 PolarHBondContact OG-OG1 3.31Å; S2219-T2223 PolarHBondContact O-N 2.96Å; S2219-T2223 PolarHBondContact O-OG1 3.26Å; I2220-T2223 WeakPolarHBondContact CA-OG1 3.29Å; I2220-T2223 PolarHBondContact O-N 2.91Å; I2220-T2223 PolarHBondContact O-OG1 3.32Å; G2221-T2223 VanDerWaalsContact C-N 3.34Å; G2221-T2223 PolarHBondContact O-N 2.96Å; T2223-D2227 WeakPolarHBondContact O-CB 3.4Å
2224I75.3Confident71.3Confident20 Ų2049.2 Ų49.210%0.10328%0.279CS..Hα-helixtrans-67.1-44.5175.6-62.2160.1000111.1F2205 I2220 G2221 I2232 W2246 L2279 W2280F2205-I2224 HydrophobicContact CD2-CD1 4.37Å; F2205-I2224 HydrophobicContact CE2-CD1 4.25Å; I2220-I2224 HydrophobicContact CG2-CD1 3.96Å; I2220-I2224 VanDerWaalsContact O-CG1 3.32Å; I2220-I2224 WeakPolarHBondContact O-CG1 3.32Å; I2220-I2224 PolarHBondContact O-N 3.16Å; I2220-I2224 VanDerWaalsContact O-N 3.08Å; G2221-I2224 PolarHBondContact O-N 3.49Å; G2221-I2224 VanDerWaalsContact O-N 3.16Å; I2224-I2232 HydrophobicContact CG2-CD1 3.8Å; I2224-W2246 HydrophobicContact CB-CB 4.17Å; I2224-W2246 HydrophobicContact CD1-CB 4.3Å; I2224-W2246 HydrophobicContact CD1-CD2 4.44Å; I2224-W2246 HydrophobicContact CD1-CE3 4.1Å; I2224-W2246 HydrophobicContact CG2-CB 3.65Å; I2224-L2279 HydrophobicContact CG1-CD2 3.88Å; I2224-W2280 HydrophobicContact CD1-CH2 4.21Å; I2224-W2280 HydrophobicContact CD1-CZ3 4.43Å; I2224-W2280 HydrophobicContact CG2-CH2 4.41Å; I2224-W2280 HydrophobicContact CG2-CZ2 4.46Å
2225I72.1Confident70.2Confident28 Ų2855.1 Ų55.114%0.14432%0.316CS..Hα-helixtrans-74.9-47.4-174-61.4158.4000112.8G2221 T2234 E2242 A2245G2221-I2225 WeakPolarHBondContact O-CD1 3.5Å; G2221-I2225 VanDerWaalsContact O-CG1 3.27Å; G2221-I2225 WeakPolarHBondContact O-CG1 3.48Å; G2221-I2225 PolarHBondContact O-N 2.93Å; I2225-T2234 HydrophobicContact CG2-CG2 3.85Å; I2225-E2242 WeakPolarHBondContact CD1-O 3.36Å; I2225-A2245 HydrophobicContact CG1-CB 4.48Å
2226N68.2Low69.2Low75 Ų7556.7 Ų56.740%0.40134%0.342SS..SBendtrans-104.715.3-158.6-62.2-74.8000114.7R2095 N2222R2095-N2226 PolarHBondContact NH2-O 3.03Å; N2222-N2226 WeakPolarHBondContact O-CB 3.37Å; N2222-N2226 PolarHBondContact O-N 3.08Å; N2222-N2226 PolarHBondContact O-ND2 3.06Å
2227D61.1Low68.4Low30 Ų3057.4 Ų57.416%0.1635%0.345CS..SBendtrans-108.384.8-171.1-163.743.8000114.6S2084 Y2085 T2086 S2092 T2223 N2229S2084-D2227 VanDerWaalsContact CA-OD2 3.28Å; S2084-D2227 WeakPolarHBondContact CA-OD2 3.29Å; Y2085-D2227 WeakPolarHBondContact CA-OD1 3.49Å; Y2085-D2227 WeakPolarHBondContact CA-OD2 3.15Å; Y2085-D2227 PolarHBondContact N-OD2 3.22Å; Y2085-D2227 VanDerWaalsContact N-OD2 3.16Å; T2086-D2227 PolarHBondContact N-OD1 3.05Å; T2086-D2227 PolarHBondContact OG1-OD1 3.26Å; S2092-D2227 VanDerWaalsContact CB-OD1 3.32Å; S2092-D2227 WeakPolarHBondContact CB-OD1 3.42Å; T2223-D2227 WeakPolarHBondContact O-CB 3.4Å; D2227-N2229 PolarHBondContact O-N 2.97Å
2228G53.1Low67.6Low58 Ų5863.9 Ų63.960%0.59838%0.375SS*.SBendtrans73.5-36.6146.300000118.9T2086T2086-G2228 WeakPolarHBondContact OG1-CA 3.27Å
2229N56.4Low67.1Low122 Ų12267.8 Ų67.865%0.65238%0.384SS*.SBendtrans-115.8133.9175.5-79-47.5000108.9D2227 R2231D2227-N2229 PolarHBondContact O-N 2.97Å; N2229-R2231 PolarHBondContact O-N 3.28Å
2230P52Low66.4Low103 Ų10369.8 Ų69.867%0.66940%0.398SS*.  trans-73.870.9175.432.3-35000110.5N2233P2230-N2233 WeakPolarHBondContact CB-OD1 3.3Å
2231R58Low65.8Low144 Ų14472 Ų7254%0.54341%0.409SS..SBendtrans-69.4-26.5164.9-70.5-176.8173.4163.30.5111N2229N2229-R2231 PolarHBondContact O-N 3.28Å
2232I64Low65.5Low25 Ų2575.7 Ų75.713%0.12843%0.426CS..SBendtrans-138.6119.3179.7-53.2174.4000106.7I2224 T2234 A2245 W2246 P2272I2224-I2232 HydrophobicContact CG2-CD1 3.8Å; I2232-T2234 PolarHBondContact O-N 3.17Å; I2232-A2245 HydrophobicContact CG2-CB 3.98Å; I2232-A2245 WeakPolarHBondContact CG2-O 3.34Å; I2232-W2246 HydrophobicContact CD1-CB 4.49Å; I2232-P2272 HydrophobicContact CD1-CB 4.17Å; I2232-P2272 HydrophobicContact CD1-CG 4.15Å; I2232-P2272 HydrophobicContact CG1-CB 4.33Å
2233N64.6Low65.1Low113 Ų11375 Ų7560%0.60443%0.43SS*.  trans-85.2102.8177.1-85.5-17.4000110.1P2230 M2237P2230-N2233 WeakPolarHBondContact CB-OD1 3.3Å; N2233-M2237 WeakPolarHBondContact O-CE 3.45Å
2234T65.1Low64.9Low33 Ų3377.5 Ų77.520%0.20244%0.439CS..  trans-87.9-2.3174.5510000114I2225 I2232 G2236 M2237 A2245I2225-T2234 HydrophobicContact CG2-CG2 3.85Å; I2232-T2234 PolarHBondContact O-N 3.17Å; T2234-G2236 PolarHBondContact O-N 3.39Å; T2234-M2237 HydrophobicContact CG2-SD 4.24Å; T2234-M2237 PolarHBondContact O-N 3.25Å; T2234-M2237 VanDerWaalsContact O-N 3.14Å; T2234-A2245 HydrophobicContact CG2-CB 3.83Å
2235T60.9Low64.9Low126 Ų12676.6 Ų76.677%0.77343%0.434SS*.THydrogen-bonded Turntrans-64.4101.7-178.451.90000111.5
2236G63.8Low65.3Low84 Ų8475.6 Ų75.687%0.86643%0.429SS*.THydrogen-bonded Turntrans1083.6179.800000115.5T2234T2234-G2236 PolarHBondContact O-N 3.39Å
2237M67.7Low66Low59 Ų5972.3 Ų72.329%0.29141%0.411SS..  trans-79.1147.8171.8-71.7178.8-177.400111.6N2233 T2234 D2241 E2242 A2245N2233-M2237 WeakPolarHBondContact O-CE 3.45Å; T2234-M2237 HydrophobicContact CG2-SD 4.24Å; T2234-M2237 PolarHBondContact O-N 3.25Å; T2234-M2237 VanDerWaalsContact O-N 3.14Å; M2237-D2241 HydrophobicContact CB-CB 4.09Å; M2237-D2241 HydrophobicContact CG-CB 4.37Å; M2237-E2242 HydrophobicContact CB-CG 4.11Å; M2237-A2245 HydrophobicContact SD-CB 4.1Å
2238E67.9Low67Low137 Ų13770.9 Ų70.964%0.6440%0.403SS*.  trans-70.6159.4164.9-70.3-162.1136.200110.4S2240 D2241 E2242E2238-S2240 WeakPolarHBondContact CB-OG 3.17Å; E2238-S2240 PolarHBondContact O-N 3.21Å; E2238-S2240 VanDerWaalsContact O-N 3.11Å; E2238-D2241 CarbonylContact O-C 3.26Å; E2238-D2241 WeakPolarHBondContact O-CA 3.13Å; E2238-D2241 PolarHBondContact O-N 3.02Å; E2238-E2242 PolarHBondContact O-N 3.45Å
2239K66.4Low68.5Low179 Ų17969.2 Ų69.278%0.77838%0.382SS*.Hα-helixtrans-57.1-29.2178.6-72.9-179175.8176.80113.8D2241 A2243K2239-D2241 VanDerWaalsContact C-N 3.29Å; K2239-A2243 PolarHBondContact O-N 2.99Å
2240S65.6Low69.9Low57 Ų5763.4 Ų63.440%0.39935%0.351SS..Hα-helixtrans-59.9-38.3170.519.70000112.2E2238 R2244E2238-S2240 WeakPolarHBondContact CB-OG 3.17Å; E2238-S2240 PolarHBondContact O-N 3.21Å; E2238-S2240 VanDerWaalsContact O-N 3.11Å; S2240-R2244 WeakPolarHBondContact O-CD 3.4Å; S2240-R2244 WeakPolarHBondContact O-CG 3.43Å
2241D67.9Low71.5Confident45 Ų4559.8 Ų59.824%0.24133%0.327CS..Hα-helixtrans-94.6-30.1-173.7-55.8-34.5000111.7M2237 E2238 K2239 A2243 R2244 A2245M2237-D2241 HydrophobicContact CB-CB 4.09Å; M2237-D2241 HydrophobicContact CG-CB 4.37Å; E2238-D2241 CarbonylContact O-C 3.26Å; E2238-D2241 WeakPolarHBondContact O-CA 3.13Å; E2238-D2241 PolarHBondContact O-N 3.02Å; K2239-D2241 VanDerWaalsContact C-N 3.29Å; D2241-A2243 PolarHBondContact O-N 3.47Å; D2241-R2244 CarbonylContact O-C 3.57Å; D2241-R2244 WeakPolarHBondContact O-CA 3.42Å; D2241-R2244 WeakPolarHBondContact O-CB 3.43Å; D2241-R2244 PolarHBondContact O-N 3.34Å; D2241-R2244 IonicContact OD1-CZ 2.66Å; D2241-R2244 IonicContact OD1-NH1 2.81Å; D2241-R2244 PolarHBondContact OD1-NH1 3.13Å; D2241-A2245 PolarHBondContact O-N 2.98Å
2242E71.4Confident72.7Confident80 Ų8053 Ų5337%0.37430%0.302SS..Hα-helixtrans-52.7-43.3165.5-70.7-176145.500111.2I2225 M2237 E2238 R2244 A2245I2225-E2242 WeakPolarHBondContact CD1-O 3.36Å; M2237-E2242 HydrophobicContact CB-CG 4.11Å; E2238-E2242 PolarHBondContact O-N 3.45Å; E2242-R2244 PolarHBondContact O-N 2.99Å; E2242-A2245 VanDerWaalsContact O-CB 3.31Å; E2242-A2245 WeakPolarHBondContact O-CB 3.38Å; E2242-A2245 PolarHBondContact O-N 3.2Å
2243A69.1Low73.8Confident53 Ų5354.9 Ų54.944%0.43831%0.312SS..THydrogen-bonded Turntrans-68-20.8177.500000113.8K2239 D2241 W2246K2239-A2243 PolarHBondContact O-N 2.99Å; D2241-A2243 PolarHBondContact O-N 3.47Å; A2243-W2246 PolarHBondContact O-NE1 2.96Å
2244R73.1Confident74.6Confident57 Ų5751.3 Ų51.322%0.21529%0.293CS..THydrogen-bonded Turntrans-98-4.8177.5-63.9165.1172170.1-14.2113L2171 Q2200 S2240 D2241 E2242 W2246 F2247L2171-R2244 PolarHBondContact O-NH2 3.11Å; Q2200-R2244 HydrophobicContact CB-CB 4.46Å; S2240-R2244 WeakPolarHBondContact O-CD 3.4Å; S2240-R2244 WeakPolarHBondContact O-CG 3.43Å; D2241-R2244 CarbonylContact O-C 3.57Å; D2241-R2244 WeakPolarHBondContact O-CA 3.42Å; D2241-R2244 WeakPolarHBondContact O-CB 3.43Å; D2241-R2244 PolarHBondContact O-N 3.34Å; D2241-R2244 IonicContact OD1-CZ 2.66Å; D2241-R2244 IonicContact OD1-NH1 2.81Å; D2241-R2244 PolarHBondContact OD1-NH1 3.13Å; E2242-R2244 PolarHBondContact O-N 2.99Å; R2244-W2246 PolarHBondContact O-N 2.84Å; R2244-F2247 HydrophobicContact CB-CD2 4.16Å; R2244-F2247 HydrophobicContact CB-CE2 4.32Å; R2244-F2247 HydrophobicContact CB-CG 4.32Å; R2244-F2247 HydrophobicContact CG-CD2 4.21Å; R2244-F2247 HydrophobicContact CG-CE2 3.93Å; R2244-F2247 HydrophobicContact CG-CZ 4.24Å; R2244-F2247 VanDerWaalsContact O-CB 3.26Å; R2244-F2247 WeakPolarHBondContact O-CB 3.42Å; R2244-F2247 WeakPolarHBondContact O-CG 3.36Å; R2244-F2247 PolarHBondContact O-N 3.46Å
2245A73.9Confident75.2Confident0 Ų053.7 Ų53.70%030%0.302CS..THydrogen-bonded Turntrans-61.3-22.3-168.800000114.5I2225 I2232 T2234 M2237 D2241 E2242I2225-A2245 HydrophobicContact CG1-CB 4.48Å; I2232-A2245 HydrophobicContact CG2-CB 3.98Å; I2232-A2245 WeakPolarHBondContact CG2-O 3.34Å; T2234-A2245 HydrophobicContact CG2-CB 3.83Å; M2237-A2245 HydrophobicContact SD-CB 4.1Å; D2241-A2245 PolarHBondContact O-N 2.98Å; E2242-A2245 VanDerWaalsContact O-CB 3.31Å; E2242-A2245 WeakPolarHBondContact O-CB 3.38Å; E2242-A2245 PolarHBondContact O-N 3.2Å
2246W81Confident75.8Confident8 Ų852.8 Ų52.83%0.0329%0.289CS..THydrogen-bonded Turntrans-99.19.2177.863.3-76.3000113.8P2203 F2205 L2216 I2224 I2232 A2243 R2244P2203-W2246 HydrophobicContact CB-CH2 4.17Å; P2203-W2246 HydrophobicContact CB-CZ3 4.38Å; F2205-W2246 HydrophobicContact CB-CH2 4.31Å; F2205-W2246 HydrophobicContact CB-CZ3 3.89Å; F2205-W2246 HydrophobicContact CD2-CE3 4.42Å; F2205-W2246 HydrophobicContact CD2-CZ3 4.02Å; F2205-W2246 HydrophobicContact CG-CZ3 4.47Å; F2205-W2246 WeakPolarHBondContact O-CH2 3.49Å; L2216-W2246 HydrophobicContact CB-CZ2 4.3Å; L2216-W2246 HydrophobicContact CD2-CH2 4.03Å; L2216-W2246 HydrophobicContact CD2-CZ2 4.08Å; I2224-W2246 HydrophobicContact CB-CB 4.17Å; I2224-W2246 HydrophobicContact CD1-CB 4.3Å; I2224-W2246 HydrophobicContact CD1-CD2 4.44Å; I2224-W2246 HydrophobicContact CD1-CE3 4.1Å; I2224-W2246 HydrophobicContact CG2-CB 3.65Å; I2232-W2246 HydrophobicContact CD1-CB 4.49Å; A2243-W2246 PolarHBondContact O-NE1 2.96Å; R2244-W2246 PolarHBondContact O-N 2.84Å
2247F84.5Confident76Confident5 Ų550.7 Ų50.72%0.02227%0.267CS..SBendtrans-80.4150174.2-70.116.2000110.3W2170 Q2200 I2202 P2203 L2216 R2244W2170-F2247 AromaticContact CD1-CE2 3.91Å; W2170-F2247 HydrophobicContact CG-CE2 4.45Å; Q2200-F2247 HydrophobicContact CB-CB 4.31Å; I2202-F2247 WeakPolarHBondContact O-CB 3.24Å; P2203-F2247 HydrophobicContact CB-CD1 3.88Å; P2203-F2247 HydrophobicContact CB-CE1 3.76Å; P2203-F2247 HydrophobicContact CB-CE2 4.38Å; P2203-F2247 HydrophobicContact CB-CG 4.28Å; P2203-F2247 HydrophobicContact CB-CZ 4.02Å; P2203-F2247 HydrophobicContact CG-CZ 4.43Å; L2216-F2247 HydrophobicContact CD1-CE1 4.26Å; L2216-F2247 HydrophobicContact CD1-CZ 3.9Å; L2216-F2247 HydrophobicContact CD2-CE1 4.29Å; L2216-F2247 HydrophobicContact CD2-CZ 4.24Å; R2244-F2247 HydrophobicContact CB-CD2 4.16Å; R2244-F2247 HydrophobicContact CB-CE2 4.32Å; R2244-F2247 HydrophobicContact CB-CG 4.32Å; R2244-F2247 HydrophobicContact CG-CD2 4.21Å; R2244-F2247 HydrophobicContact CG-CE2 3.93Å; R2244-F2247 HydrophobicContact CG-CZ 4.24Å; R2244-F2247 VanDerWaalsContact O-CB 3.26Å; R2244-F2247 WeakPolarHBondContact O-CB 3.42Å; R2244-F2247 WeakPolarHBondContact O-CG 3.36Å; R2244-F2247 PolarHBondContact O-N 3.46Å
2248D81.4Confident76.2Confident1 Ų158.1 Ų58.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-71.5146.9178.1-62.2-7.6000110.9Q2200 S2201 I2202 H2271Q2200-D2248 PolarHBondContact N-O 2.75Å; S2201-D2248 PolarHBondContact N-O 2.67Å; I2202-D2248 HydrophobicContact CG2-CB 3.81Å; I2202-D2248 PolarHBondContact N-O 3.33Å; I2202-D2248 PolarHBondContact O-N 3.35Å; D2248-H2271 IonicContact OD1-CE1 2.74Å; D2248-H2271 IonicContact OD1-CG 2.76Å; D2248-H2271 IonicContact OD1-ND1 2.9Å; D2248-H2271 PolarHBondContact OD1-ND1 2.69Å; D2248-H2271 IonicContact OD2-CE1 2.74Å; D2248-H2271 PolarHBondContact OD2-CE1 2.98Å; D2248-H2271 VanDerWaalsContact OD2-CE1 3.25Å; D2248-H2271 IonicContact OD2-ND1 3.75Å; D2248-H2271 PolarHBondContact OD2-ND1 2.86Å
2249S84.2Confident76Confident22 Ų2253.8 Ų53.815%0.15428%0.282CS..EExtended strand (participates in β ladder)trans-81.6137.6166.362.70000109.8I2198 S2269 E2270I2198-S2249 WeakPolarHBondContact O-CA 3.33Å; S2249-S2269 CarbonylContact O-C 3.4Å; S2249-S2269 WeakPolarHBondContact O-CA 3.49Å; S2249-E2270 PolarHBondContact N-O 3.42Å; S2249-E2270 PolarHBondContact O-N 3.25Å; S2249-E2270 PolarHBondContact OG-O 3.04Å
2250L85.5Confident75.9Confident0 Ų052.5 Ų52.50%028%0.279CS..EExtended strand (participates in β ladder)trans-108.9132-177.1-171.9112.1000109.3I2043 F2146 I2198 S2201 L2252 A2267 L2294I2043-L2250 HydrophobicContact CD1-CD1 3.63Å; I2043-L2250 HydrophobicContact CD1-CD2 3.89Å; I2043-L2250 HydrophobicContact CD1-CG 4.42Å; I2043-L2250 HydrophobicContact CG2-CD2 4.14Å; F2146-L2250 HydrophobicContact CE1-CD2 4.24Å; F2146-L2250 HydrophobicContact CZ-CD2 4.06Å; I2198-L2250 PolarHBondContact N-O 2.69Å; I2198-L2250 PolarHBondContact O-N 3.06Å; S2201-L2250 WeakPolarHBondContact OG-CB 3.39Å; L2250-L2252 HydrophobicContact CD2-CD1 4.03Å; L2250-L2252 HydrophobicContact CD2-CD2 4.07Å; L2250-L2252 HydrophobicContact CD2-CG 3.7Å; L2250-A2267 HydrophobicContact CD1-CB 4.42Å; L2250-L2294 HydrophobicContact CD1-CD1 4.46Å; L2250-L2294 HydrophobicContact CD1-CD2 4.35Å
2251T86.3Confident75.9Confident28 Ų2856.2 Ų56.217%0.17230%0.295CS..EExtended strand (participates in β ladder)trans-113.5122.5176.844.80000109.2I2196 L2197 A2267 T2268I2196-T2251 CarbonylContact O-C 3.6Å; I2196-T2251 WeakPolarHBondContact O-CA 3.48Å; L2197-T2251 HydrophobicContact CB-CG2 4.43Å; L2197-T2251 HydrophobicContact CD1-CG2 3.49Å; L2197-T2251 VanDerWaalsContact CD1-CG2 3.49Å; T2251-A2267 WeakPolarHBondContact O-CA 3.38Å; T2251-T2268 PolarHBondContact N-O 3.22Å; T2251-T2268 PolarHBondContact O-N 2.87Å; T2251-T2268 PolarHBondContact OG1-O 3.33Å; T2251-T2268 PolarHBondContact OG1-OG1 2.98Å
2252L83.9Confident76Confident1 Ų157.4 Ų57.41%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-110.1124176.6-71.2169.4000110.6I2043 L2051 F2146 I2196 L2250 W2265 I2266 A2267I2043-L2252 HydrophobicContact CG2-CD1 4.29Å; L2051-L2252 HydrophobicContact CD1-CD1 3.89Å; F2146-L2252 HydrophobicContact CE2-CD1 3.99Å; F2146-L2252 HydrophobicContact CZ-CD1 3.79Å; I2196-L2252 HydrophobicContact CB-CB 4.17Å; I2196-L2252 PolarHBondContact N-O 3.48Å; I2196-L2252 PolarHBondContact O-N 3.17Å; L2250-L2252 HydrophobicContact CD2-CD1 4.03Å; L2250-L2252 HydrophobicContact CD2-CD2 4.07Å; L2250-L2252 HydrophobicContact CD2-CG 3.7Å; L2252-W2265 HydrophobicContact CB-CE3 3.9Å; L2252-W2265 HydrophobicContact CB-CZ3 4.17Å; L2252-W2265 HydrophobicContact CD2-CB 4.46Å; L2252-I2266 CarbonylContact C-O 3.6Å; L2252-I2266 VanDerWaalsContact CA-O 3.3Å; L2252-I2266 WeakPolarHBondContact CA-O 3.16Å; L2252-A2267 HydrophobicContact CD2-CB 3.81Å
2253N85.1Confident76.3Confident65 Ų6554.7 Ų54.735%0.34829%0.286SS..EExtended strand (participates in β ladder)trans-111.4139.5170.8-79.6-33000110.4P2195 W2265 I2266P2195-N2253 WeakPolarHBondContact CA-OD1 3.46Å; P2195-N2253 VanDerWaalsContact CB-OD1 3.29Å; P2195-N2253 WeakPolarHBondContact CB-OD1 3.47Å; N2253-W2265 CarbonylContact O-C 3.53Å; N2253-W2265 WeakPolarHBondContact O-CA 3.33Å; N2253-I2266 HydrophobicContact CB-CB 4.36Å; N2253-I2266 PolarHBondContact N-O 3.18Å; N2253-I2266 PolarHBondContact O-N 2.95Å
2254L82.9Confident76.9Confident38 Ų3854 Ų5420%0.19927%0.274CS..EExtended strand (participates in β ladder)trans-96.7111.9173.1-177.165000109.3A2187 K2263 W2265A2187-L2254 VanDerWaalsContact O-CD2 3.26Å; A2187-L2254 WeakPolarHBondContact O-CD2 3.14Å; L2254-K2263 HydrophobicContact CD1-CB 4.06Å; L2254-K2263 HydrophobicContact CD1-CG 4.47Å; L2254-W2265 HydrophobicContact CB-CD2 4.45Å; L2254-W2265 HydrophobicContact CB-CE3 4.03Å; L2254-W2265 HydrophobicContact CB-CH2 4.05Å; L2254-W2265 HydrophobicContact CB-CZ2 4.45Å; L2254-W2265 HydrophobicContact CB-CZ3 3.82Å; L2254-W2265 HydrophobicContact CD1-CD2 4.01Å; L2254-W2265 HydrophobicContact CD1-CE3 4.44Å; L2254-W2265 HydrophobicContact CD1-CG 4.42Å; L2254-W2265 HydrophobicContact CD1-CH2 4.49Å; L2254-W2265 HydrophobicContact CD1-CZ2 4.06Å; L2254-W2265 HydrophobicContact CD2-CZ2 4.5Å
2255E77.7Confident77.6Confident83 Ų8351.3 Ų51.339%0.38826%0.264SS..EExtended strand (participates in β ladder)trans-97.3137166.6-85.9-177.4178.100110M2264 I2266 R2291E2255-M2264 HydrophobicContact CB-CG 3.88Å; E2255-M2264 HydrophobicContact CB-SD 4.48Å; E2255-M2264 PolarHBondContact N-O 2.88Å; E2255-M2264 PolarHBondContact O-N 3.49Å; E2255-I2266 HydrophobicContact CB-CD1 3.92Å; E2255-I2266 HydrophobicContact CG-CD1 3.6Å; E2255-I2266 VanDerWaalsContact OE2-CD1 3.23Å; E2255-I2266 WeakPolarHBondContact OE2-CD1 3.41Å; E2255-R2291 IonicContact OE1-CZ 3.09Å; E2255-R2291 IonicContact OE1-NH2 2.66Å; E2255-R2291 PolarHBondContact OE1-NH2 2.98Å; E2255-R2291 IonicContact OE2-CZ 3.22Å; E2255-R2291 IonicContact OE2-NH1 3.95Å; E2255-R2291 PolarHBondContact OE2-NH1 2.92Å; E2255-R2291 IonicContact OE2-NH2 3.61Å; E2255-R2291 PolarHBondContact OE2-NH2 3.36Å
2256Q72.7Confident78.2Confident106 Ų10651.7 Ų51.750%0.49527%0.266SS..EExtended strand (participates in β ladder)trans-110.1124.3179.9-171.3171.1-11.100109.3
2257G69.1Low78.4Confident40 Ų4051.3 Ų51.341%0.41226%0.264SS..  trans-74.3-164.2178.500000113.3S2259 E2262G2257-S2259 VanDerWaalsContact C-N 3.31Å; G2257-E2262 PolarHBondContact N-O 3.48Å
2258K70.2Confident78.4Confident215 Ų21552.4 Ų52.494%0.93527%0.272SS*.SBendtrans-72.8-27.9-178.7-68.1179-179.4174.50111.7E2262K2258-E2262 PolarHBondContact N-OE2 3.4Å
2259S64.2Low78.5Confident46 Ų4653.8 Ų53.832%0.32228%0.281SS..SBendtrans-94.9146.6173.8-174.40000112.1G2257 N2261 E2262G2257-S2259 VanDerWaalsContact C-N 3.31Å; S2259-N2261 PolarHBondContact O-N 2.95Å; S2259-N2261 PolarHBondContact OG-N 2.86Å; S2259-E2262 VanDerWaalsContact CB-CD 3.4Å; S2259-E2262 VanDerWaalsContact CB-OE1 3.24Å; S2259-E2262 WeakPolarHBondContact CB-OE1 3.22Å; S2259-E2262 PolarHBondContact N-OE2 2.91Å; S2259-E2262 PolarHBondContact O-N 2.97Å
2260Q64.2Low78.3Confident153 Ų15356.9 Ų56.972%0.71529%0.293SS*.THydrogen-bonded Turntrans-60.8-16.9172.5-69.8-170.3-4.500113.8K2263Q2260-K2263 VanDerWaalsContact O-CE 3.23Å; Q2260-K2263 WeakPolarHBondContact O-CE 3.19Å; Q2260-K2263 PolarHBondContact O-NZ 3.26Å
2261N65Low78Confident135 Ų13558.1 Ų58.172%0.72230%0.299SS*.THydrogen-bonded Turntrans-92.9-15.2178-62.9-12.3000113S2259 K2263S2259-N2261 PolarHBondContact O-N 2.95Å; S2259-N2261 PolarHBondContact OG-N 2.86Å; N2261-K2263 PolarHBondContact O-N 2.8Å; N2261-K2263 VanDerWaalsContact O-N 3.13Å
2262E71.4Confident77.3Confident69 Ų6958 Ų5832%0.32230%0.299SS..  trans-83.486.1177.6-73.7156.9-156.500109.2Y2123 G2257 K2258 S2259Y2123-E2262 HydrophobicContact CE1-CB 4.48Å; G2257-E2262 PolarHBondContact N-O 3.48Å; K2258-E2262 PolarHBondContact N-OE2 3.4Å; S2259-E2262 VanDerWaalsContact CB-CD 3.4Å; S2259-E2262 VanDerWaalsContact CB-OE1 3.24Å; S2259-E2262 WeakPolarHBondContact CB-OE1 3.22Å; S2259-E2262 PolarHBondContact N-OE2 2.91Å; S2259-E2262 PolarHBondContact O-N 2.97Å
2263K77.2Confident76.6Confident24 Ų2460.1 Ų60.110%0.10432%0.321CS..EExtended strand (participates in β ladder)trans-115.1117.1175.8-74.7172.2-167.1142.40109.1W2124 L2254 Q2260 N2261W2124-K2263 HydrophobicContact CE3-CB 4.45Å; W2124-K2263 HydrophobicContact CE3-CD 4.4Å; W2124-K2263 PolarHBondContact N-O 3.36Å; L2254-K2263 HydrophobicContact CD1-CB 4.06Å; L2254-K2263 HydrophobicContact CD1-CG 4.47Å; Q2260-K2263 VanDerWaalsContact O-CE 3.23Å; Q2260-K2263 WeakPolarHBondContact O-CE 3.19Å; Q2260-K2263 PolarHBondContact O-NZ 3.26Å; N2261-K2263 PolarHBondContact O-N 2.8Å; N2261-K2263 VanDerWaalsContact O-N 3.13Å
2264M82.6Confident75.7Confident39 Ų3961.5 Ų61.519%0.19233%0.328CS..EExtended strand (participates in β ladder)trans-118.2135.6178.462.2-175.4-68.100110.4E2119 Y2123 E2255 I2266E2119-M2264 HydrophobicContact CB-CE 3.75Å; E2119-M2264 HydrophobicContact CG-CE 3.61Å; Y2123-M2264 HydrophobicContact CD1-CB 4.21Å; Y2123-M2264 HydrophobicContact CE1-CB 4.41Å; E2255-M2264 HydrophobicContact CB-CG 3.88Å; E2255-M2264 HydrophobicContact CB-SD 4.48Å; E2255-M2264 PolarHBondContact N-O 2.88Å; E2255-M2264 PolarHBondContact O-N 3.49Å; M2264-I2266 HydrophobicContact CE-CG1 4.44Å
2265W86Confident74.7Confident0 Ų065.7 Ų65.70%035%0.347CS..EExtended strand (participates in β ladder)trans-93.7139.3170.9-67.994.3000110.2L2051 S2120 W2124 A2187 L2188 I2196 L2252 N2253 L2254L2051-W2265 HydrophobicContact CB-CD2 4.42Å; L2051-W2265 HydrophobicContact CB-CG 4.15Å; L2051-W2265 HydrophobicContact CD2-CD2 4.49Å; L2051-W2265 HydrophobicContact CD2-CZ2 3.83Å; L2051-W2265 WeakPolarHBondContact O-CB 3.24Å; S2120-W2265 WeakPolarHBondContact CB-O 3.39Å; S2120-W2265 PolarHBondContact N-O 2.89Å; W2124-W2265 AromaticContact CD1-NE1 4Å; W2124-W2265 AromaticContact CD2-NE1 3.28Å; W2124-W2265 VanDerWaalsContact CD2-NE1 3.28Å; W2124-W2265 AromaticContact CE2-NE1 3.76Å; W2124-W2265 HydrophobicContact CE3-CZ2 4.36Å; W2124-W2265 AromaticContact CE3-NE1 3.48Å; W2124-W2265 AromaticContact CG-CD1 3.82Å; W2124-W2265 AromaticContact CG-NE1 3.47Å; W2124-W2265 HydrophobicContact CH2-CZ2 4.28Å; W2124-W2265 HydrophobicContact CZ3-CZ2 4.15Å; A2187-W2265 HydrophobicContact CB-CH2 4.5Å; L2188-W2265 HydrophobicContact CD2-CH2 4.4Å; L2188-W2265 HydrophobicContact CD2-CZ2 4.09Å; I2196-W2265 HydrophobicContact CD1-CH2 3.63Å; I2196-W2265 HydrophobicContact CD1-CZ3 3.67Å; I2196-W2265 HydrophobicContact CG1-CZ3 4.46Å; L2252-W2265 HydrophobicContact CB-CE3 3.9Å; L2252-W2265 HydrophobicContact CB-CZ3 4.17Å; L2252-W2265 HydrophobicContact CD2-CB 4.46Å; N2253-W2265 CarbonylContact O-C 3.53Å; N2253-W2265 WeakPolarHBondContact O-CA 3.33Å; L2254-W2265 HydrophobicContact CB-CD2 4.45Å; L2254-W2265 HydrophobicContact CB-CE3 4.03Å; L2254-W2265 HydrophobicContact CB-CH2 4.05Å; L2254-W2265 HydrophobicContact CB-CZ2 4.45Å; L2254-W2265 HydrophobicContact CB-CZ3 3.82Å; L2254-W2265 HydrophobicContact CD1-CD2 4.01Å; L2254-W2265 HydrophobicContact CD1-CE3 4.44Å; L2254-W2265 HydrophobicContact CD1-CG 4.42Å; L2254-W2265 HydrophobicContact CD1-CH2 4.49Å; L2254-W2265 HydrophobicContact CD1-CZ2 4.06Å; L2254-W2265 HydrophobicContact CD2-CZ2 4.5Å
2266I86.4Confident73.7Confident7 Ų768.4 Ų68.44%0.03636%0.364CS..EExtended strand (participates in β ladder)trans-112.5120174.8-64.6151.3000107.5P2118 E2119 L2252 N2253 E2255 M2264P2118-I2266 HydrophobicContact CB-CG2 4.41Å; P2118-I2266 CarbonylContact O-C 3.56Å; P2118-I2266 WeakPolarHBondContact O-CA 3.37Å; E2119-I2266 HydrophobicContact CG-CG1 4.12Å; L2252-I2266 CarbonylContact C-O 3.6Å; L2252-I2266 VanDerWaalsContact CA-O 3.3Å; L2252-I2266 WeakPolarHBondContact CA-O 3.16Å; N2253-I2266 HydrophobicContact CB-CB 4.36Å; N2253-I2266 PolarHBondContact N-O 3.18Å; N2253-I2266 PolarHBondContact O-N 2.95Å; E2255-I2266 HydrophobicContact CB-CD1 3.92Å; E2255-I2266 HydrophobicContact CG-CD1 3.6Å; E2255-I2266 VanDerWaalsContact OE2-CD1 3.23Å; E2255-I2266 WeakPolarHBondContact OE2-CD1 3.41Å; M2264-I2266 HydrophobicContact CE-CG1 4.44Å
2267A86.3Confident73.2Confident0 Ų064 Ų640%035%0.346CS..EExtended strand (participates in β ladder)trans-103.2127176.700000110.6I2043 Y2052 P2118 L2250 T2251 L2252 L2294I2043-A2267 HydrophobicContact CD1-CB 4.41Å; Y2052-A2267 HydrophobicContact CD1-CB 4.41Å; Y2052-A2267 HydrophobicContact CD2-CB 3.75Å; Y2052-A2267 HydrophobicContact CE2-CB 3.86Å; Y2052-A2267 HydrophobicContact CG-CB 4.03Å; P2118-A2267 WeakPolarHBondContact CA-O 3.27Å; P2118-A2267 PolarHBondContact O-N 2.89Å; L2250-A2267 HydrophobicContact CD1-CB 4.42Å; T2251-A2267 WeakPolarHBondContact O-CA 3.38Å; L2252-A2267 HydrophobicContact CD2-CB 3.81Å; A2267-L2294 HydrophobicContact CB-CD2 4.32Å
2268T84.7Confident73.1Confident29 Ų2969.5 Ų69.518%0.17836%0.358CS..EExtended strand (participates in β ladder)trans-127.9137170.8360000110.2P2118 T2251 P2292P2118-T2268 HydrophobicContact CB-CG2 4.48Å; T2251-T2268 PolarHBondContact N-O 3.22Å; T2251-T2268 PolarHBondContact O-N 2.87Å; T2251-T2268 PolarHBondContact OG1-O 3.33Å; T2251-T2268 PolarHBondContact OG1-OG1 2.98Å; T2268-P2292 HydrophobicContact CG2-CG 4.08Å
2269S83Confident73.2Confident30 Ų3060 Ų6021%0.2132%0.318CS..EExtended strand (participates in β ladder)trans-99.7149175.158.40000112.7S2249 L2294S2249-S2269 CarbonylContact O-C 3.4Å; S2249-S2269 WeakPolarHBondContact O-CA 3.49Å; S2269-L2294 VanDerWaalsContact CB-CD1 3.45Å; S2269-L2294 WeakPolarHBondContact OG-CD1 3.38Å
2270E79.6Confident73.8Confident87 Ų8758.9 Ų58.941%0.40731%0.307SS..EExtended strand (participates in β ladder)trans-131.5118.3172.8171.7165.5-142.300109.5S2249 Q2275S2249-E2270 PolarHBondContact N-O 3.42Å; S2249-E2270 PolarHBondContact O-N 3.25Å; S2249-E2270 PolarHBondContact OG-O 3.04Å; E2270-Q2275 PolarHBondContact OE1-NE2 2.99Å
2271H79.2Confident74.3Confident25 Ų2552.4 Ų52.412%0.11628%0.276CS..  trans-63.5144.3178.9-65.3-50.2000111.9D2248 G2273 W2280D2248-H2271 IonicContact OD1-CE1 2.74Å; D2248-H2271 IonicContact OD1-CG 2.76Å; D2248-H2271 IonicContact OD1-ND1 2.9Å; D2248-H2271 PolarHBondContact OD1-ND1 2.69Å; D2248-H2271 IonicContact OD2-CE1 2.74Å; D2248-H2271 PolarHBondContact OD2-CE1 2.98Å; D2248-H2271 VanDerWaalsContact OD2-CE1 3.25Å; D2248-H2271 IonicContact OD2-ND1 3.75Å; D2248-H2271 PolarHBondContact OD2-ND1 2.86Å; H2271-G2273 PolarHBondContact O-N 3.33Å; H2271-W2280 HydrophobicContact CB-CD2 4.07Å; H2271-W2280 HydrophobicContact CB-CG 4.15Å; H2271-W2280 HydrophobicContact CB-CZ2 4.42Å; H2271-W2280 AromaticContact CD2-CG 3.78Å; H2271-W2280 AromaticContact CG-CD2 3.87Å; H2271-W2280 AromaticContact CG-CG 3.89Å; H2271-W2280 AromaticContact ND1-CE3 3.96Å
2272P72.4Confident74.7Confident27 Ų2755.1 Ų55.118%0.17528%0.282CS..SBendtrans-71.412317827.8-32.2000111.8I2232 W2280I2232-P2272 HydrophobicContact CD1-CB 4.17Å; I2232-P2272 HydrophobicContact CD1-CG 4.15Å; I2232-P2272 HydrophobicContact CG1-CB 4.33Å; P2272-W2280 HydrophobicContact CG-CH2 4.31Å; P2272-W2280 HydrophobicContact CG-CZ2 4Å
2273G69.2Low74.7Confident45 Ų4554.4 Ų54.446%0.46428%0.282SS..SBendtrans104.3-144.6176.600000113.4H2271 Q2275H2271-G2273 PolarHBondContact O-N 3.33Å; G2273-Q2275 PolarHBondContact O-N 3.27Å
2274D66Low74.5Confident94 Ų9455 Ų5550%0.50329%0.292SS..  trans-80.3115179.3-178.94.4000110.7N2276 A2277D2274-N2276 PolarHBondContact O-N 3.14Å; D2274-N2276 VanDerWaalsContact O-N 3.07Å; D2274-N2276 WeakPolarHBondContact OD1-CB 3.41Å; D2274-N2276 PolarHBondContact OD1-N 2.81Å; D2274-N2276 PolarHBondContact OD1-ND2 2.91Å; D2274-A2277 VanDerWaalsContact O-CB 3.28Å; D2274-A2277 WeakPolarHBondContact O-CB 3.43Å; D2274-A2277 PolarHBondContact O-N 3.1Å
2275Q60.6Low74.3Confident125 Ų12558.4 Ų58.458%0.58431%0.31SS*.THydrogen-bonded Turntrans-57.3-20.5177-61-176.16.900113.1E2270 G2273 A2277E2270-Q2275 PolarHBondContact OE1-NE2 2.99Å; G2273-Q2275 PolarHBondContact O-N 3.27Å; Q2275-A2277 VanDerWaalsContact C-N 3.34Å
2276N58Low73.6Confident141 Ų14159.1 Ų59.175%0.75432%0.315SS*.THydrogen-bonded Turntrans-86.30.1178.3-58.5-73.5000114D2274 K2278D2274-N2276 PolarHBondContact O-N 3.14Å; D2274-N2276 VanDerWaalsContact O-N 3.07Å; D2274-N2276 WeakPolarHBondContact OD1-CB 3.41Å; D2274-N2276 PolarHBondContact OD1-N 2.81Å; D2274-N2276 PolarHBondContact OD1-ND2 2.91Å; N2276-K2278 PolarHBondContact O-N 3.26Å
2277A62.7Low72.8Confident14 Ų1465.7 Ų65.712%0.11636%0.356CS..  trans-66.3124.1179.400000111.5D2274 Q2275 L2279 W2280D2274-A2277 VanDerWaalsContact O-CB 3.28Å; D2274-A2277 WeakPolarHBondContact O-CB 3.43Å; D2274-A2277 PolarHBondContact O-N 3.1Å; Q2275-A2277 VanDerWaalsContact C-N 3.34Å; A2277-L2279 PolarHBondContact O-N 3.37Å; A2277-W2280 PolarHBondContact O-N 3.41Å; A2277-W2280 VanDerWaalsContact O-N 3.1Å
2278K66.3Low71.8Confident154 Ų15475.6 Ų75.667%0.6739%0.394SS*.THydrogen-bonded Turntrans-55.9-3.3175.8-64.8-175177.2-176.50115.8A2080 N2276A2080-K2278 HydrophobicContact CB-CB 4.35Å; A2080-K2278 WeakPolarHBondContact CB-O 3.33Å; N2276-K2278 PolarHBondContact O-N 3.26Å
2279L71.4Confident70.9Confident16 Ų1676.2 Ų76.28%0.08440%0.4CS..THydrogen-bonded Turntrans-78.4-28.7178.4-166.263.2000112A2080 L2081 I2224 A2277A2080-L2279 HydrophobicContact CB-CD1 4.11Å; L2081-L2279 HydrophobicContact CD2-CD1 3.82Å; L2081-L2279 HydrophobicContact CG-CD1 4.28Å; I2224-L2279 HydrophobicContact CG1-CD2 3.88Å; A2277-L2279 PolarHBondContact O-N 3.37Å
2280W77.1Confident70.5Confident23 Ų2377 Ų779%0.08741%0.413CS..SBendtrans-96.5141.8178.6-53.3122000110.7A2204 F2205 I2224 H2271 P2272 A2277 K2282A2204-W2280 HydrophobicContact CB-CE3 4.29Å; A2204-W2280 HydrophobicContact CB-CZ3 3.82Å; F2205-W2280 HydrophobicContact CD2-CZ3 4.37Å; F2205-W2280 HydrophobicContact CE2-CE3 4.08Å; F2205-W2280 AromaticContact CE2-CZ3 3.81Å; F2205-W2280 HydrophobicContact CE2-CZ3 3.81Å; I2224-W2280 HydrophobicContact CD1-CH2 4.21Å; I2224-W2280 HydrophobicContact CD1-CZ3 4.43Å; I2224-W2280 HydrophobicContact CG2-CH2 4.41Å; I2224-W2280 HydrophobicContact CG2-CZ2 4.46Å; H2271-W2280 HydrophobicContact CB-CD2 4.07Å; H2271-W2280 HydrophobicContact CB-CG 4.15Å; H2271-W2280 HydrophobicContact CB-CZ2 4.42Å; H2271-W2280 AromaticContact CD2-CG 3.78Å; H2271-W2280 AromaticContact CG-CD2 3.87Å; H2271-W2280 AromaticContact CG-CG 3.89Å; H2271-W2280 AromaticContact ND1-CE3 3.96Å; P2272-W2280 HydrophobicContact CG-CH2 4.31Å; P2272-W2280 HydrophobicContact CG-CZ2 4Å; A2277-W2280 PolarHBondContact O-N 3.41Å; A2277-W2280 VanDerWaalsContact O-N 3.1Å; W2280-K2282 PolarHBondContact O-N 3.09Å
2281I75.8Confident70.4Confident16 Ų1676 Ų768%0.08241%0.406CS..PPolyproline II helixtrans-82.3118.8177.4-56.9-176.1000108.5I2069 I2113 T2283 Q2295 V2297I2069-I2281 HydrophobicContact CD1-CD1 3.92Å; I2113-I2281 HydrophobicContact CD1-CD1 4.41Å; I2113-I2281 HydrophobicContact CD1-CG2 4.46Å; I2281-T2283 PolarHBondContact O-N 2.98Å; I2281-T2283 VanDerWaalsContact O-N 3.14Å; I2281-Q2295 PolarHBondContact O-NE2 2.8Å; I2281-V2297 HydrophobicContact CD1-CG2 3.76Å
2282K73.1Confident70.5Confident193 Ų19377.3 Ų77.384%0.83942%0.416SS*.PPolyproline II helixtrans-47.2119.6179.1-70.6-172.2176.1-1730112.2W2280W2280-K2282 PolarHBondContact O-N 3.09Å
2283T71.8Confident71Confident54 Ų5477.5 Ų77.533%0.33141%0.414SS..PPolyproline II helixtrans-61.7135.8175.6-43.50000111.2I2281 P2292 Y2293I2281-T2283 PolarHBondContact O-N 2.98Å; I2281-T2283 VanDerWaalsContact O-N 3.14Å; T2283-P2292 HydrophobicContact CG2-CB 3.88Å; T2283-Y2293 WeakPolarHBondContact CG2-O 3.33Å
2284A73.1Confident71.8Confident36 Ų3675.4 Ų75.430%0.29839%0.392SS..PPolyproline II helixtrans-81.5153.4172.400000111Y2293A2284-Y2293 HydrophobicContact CB-CD2 3.96Å; A2284-Y2293 HydrophobicContact CB-CE2 4.46Å; A2284-Y2293 WeakPolarHBondContact O-CD2 3.18Å; A2284-Y2293 PolarHBondContact O-N 3.47Å
2285N77.1Confident72.8Confident110 Ų11071.4 Ų71.459%0.58837%0.37SS*.BIsolated β-bridgetrans-92.8146.6170.5-68.2-1.3000110.5Y2293N2285-Y2293 WeakPolarHBondContact O-CE2 3.41Å
2286T72Confident74.1Confident15 Ų1565.5 Ų65.59%0.09234%0.343CS..PPolyproline II helixtrans-66.5143.2171.251.90000111.5P2118 S2289 G2290 R2291 Y2293P2118-T2286 VanDerWaalsContact CD-CG2 3.44Å; P2118-T2286 HydrophobicContact CG-CG2 3.87Å; T2286-S2289 PolarHBondContact OG1-OG 3.47Å; T2286-G2290 WeakPolarHBondContact O-CA 3.1Å; T2286-G2290 PolarHBondContact O-N 3.34Å; T2286-G2290 PolarHBondContact OG1-N 3.15Å; T2286-R2291 WeakPolarHBondContact CB-O 3.31Å; T2286-R2291 WeakPolarHBondContact CG2-O 3.45Å; T2286-R2291 PolarHBondContact N-O 3.2Å; T2286-R2291 PolarHBondContact OG1-N 3.2Å; T2286-R2291 VanDerWaalsContact OG1-N 3.14Å; T2286-R2291 PolarHBondContact OG1-O 3.03Å; T2286-Y2293 HydrophobicContact CG2-CD1 4.12Å; T2286-Y2293 HydrophobicContact CG2-CD2 4.15Å; T2286-Y2293 HydrophobicContact CG2-CE1 3.84Å; T2286-Y2293 HydrophobicContact CG2-CE2 3.89Å; T2286-Y2293 HydrophobicContact CG2-CG 4.26Å
2287T69.3Low75.5Confident145 Ų14559 Ų5989%0.8931%0.308SS*.THydrogen-bonded Turntrans-72.2-28.3176.345.30000113.1
2288Y65.1Low76.7Confident208 Ų20858.4 Ų58.482%0.81630%0.303SS*.THydrogen-bonded Turntrans-90.2-42.9-174-178-106.5000113.9
2289S65.8Low77.9Confident42 Ų4251 Ų5129%0.29427%0.271SS..THydrogen-bonded Turntrans-115-3.2-175.264.10000115.3E2119 T2286 R2291E2119-S2289 WeakPolarHBondContact OE1-CB 3.39Å; E2119-S2289 PolarHBondContact OE1-OG 3.01Å; T2286-S2289 PolarHBondContact OG1-OG 3.47Å; S2289-R2291 PolarHBondContact O-N 2.74Å
2290G74.3Confident78.6Confident48 Ų4850.6 Ų50.650%0.49527%0.269SS..  trans67.2-1.2-178.300000114.6T2286T2286-G2290 WeakPolarHBondContact O-CA 3.1Å; T2286-G2290 PolarHBondContact O-N 3.34Å; T2286-G2290 PolarHBondContact OG1-N 3.15Å
2291R78.4Confident78.9Confident66 Ų6651.2 Ų51.225%0.24927%0.273CS..PPolyproline II helixtrans-75.4146.3177.1-65.5168.4176.2167.9-10.7110.2P2118 E2119 E2255 T2286 S2289P2118-R2291 HydrophobicContact CB-CB 4.2Å; P2118-R2291 HydrophobicContact CG-CB 3.62Å; E2119-R2291 IonicContact OE1-CZ 2.78Å; E2119-R2291 IonicContact OE1-NH1 2.61Å; E2119-R2291 PolarHBondContact OE1-NH1 3.42Å; E2255-R2291 IonicContact OE1-CZ 3.09Å; E2255-R2291 IonicContact OE1-NH2 2.66Å; E2255-R2291 PolarHBondContact OE1-NH2 2.98Å; E2255-R2291 IonicContact OE2-CZ 3.22Å; E2255-R2291 IonicContact OE2-NH1 3.95Å; E2255-R2291 PolarHBondContact OE2-NH1 2.92Å; E2255-R2291 IonicContact OE2-NH2 3.61Å; E2255-R2291 PolarHBondContact OE2-NH2 3.36Å; T2286-R2291 WeakPolarHBondContact CB-O 3.31Å; T2286-R2291 WeakPolarHBondContact CG2-O 3.45Å; T2286-R2291 PolarHBondContact N-O 3.2Å; T2286-R2291 PolarHBondContact OG1-N 3.2Å; T2286-R2291 VanDerWaalsContact OG1-N 3.14Å; T2286-R2291 PolarHBondContact OG1-O 3.03Å; S2289-R2291 PolarHBondContact O-N 2.74Å
2292P81.3Confident78.9Confident51 Ų5154.9 Ų54.933%0.33129%0.286SS..BIsolated β-bridgetrans-67.6144.8177.528.3-34.1000111.6P2118 T2268 T2283P2118-P2292 WeakPolarHBondContact CB-O 3.04Å; T2268-P2292 HydrophobicContact CG2-CG 4.08Å; T2283-P2292 HydrophobicContact CG2-CB 3.88Å
2293Y83.7Confident78.7Confident31 Ų3146 Ų4612%0.12225%0.249CC..PPolyproline II helixtrans-68.3150.6170.2-76.4-83.9000111.4R2115 F2116 R2117 T2283 A2284 N2285 T2286R2115-Y2293 HydrophobicContact CB-CD1 3.89Å; R2115-Y2293 HydrophobicContact CB-CE1 4.5Å; R2115-Y2293 HydrophobicContact CB-CG 4.05Å; F2116-Y2293 WeakPolarHBondContact O-CD1 3.27Å; R2117-Y2293 HydrophobicContact CG-CE1 4.27Å; T2283-Y2293 WeakPolarHBondContact CG2-O 3.33Å; A2284-Y2293 HydrophobicContact CB-CD2 3.96Å; A2284-Y2293 HydrophobicContact CB-CE2 4.46Å; A2284-Y2293 WeakPolarHBondContact O-CD2 3.18Å; A2284-Y2293 PolarHBondContact O-N 3.47Å; N2285-Y2293 WeakPolarHBondContact O-CE2 3.41Å; T2286-Y2293 HydrophobicContact CG2-CD1 4.12Å; T2286-Y2293 HydrophobicContact CG2-CD2 4.15Å; T2286-Y2293 HydrophobicContact CG2-CE1 3.84Å; T2286-Y2293 HydrophobicContact CG2-CE2 3.89Å; T2286-Y2293 HydrophobicContact CG2-CG 4.26Å
2294L85.7Confident78.3Confident1 Ų148.6 Ų48.61%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-84.3114.2166.8173.361000108.1L2041 Y2052 F2116 I2202 L2250 A2267 S2269L2041-L2294 HydrophobicContact CD2-CD2 3.42Å; L2041-L2294 VanDerWaalsContact CD2-CD2 3.42Å; L2041-L2294 HydrophobicContact CD2-CG 4.21Å; Y2052-L2294 HydrophobicContact CE1-CD2 4.22Å; F2116-L2294 HydrophobicContact CB-CB 4.13Å; F2116-L2294 HydrophobicContact CB-CD2 4.47Å; F2116-L2294 HydrophobicContact CB-CG 4.41Å; F2116-L2294 HydrophobicContact CD2-CG 4.32Å; F2116-L2294 WeakPolarHBondContact CD2-O 3.33Å; F2116-L2294 PolarHBondContact N-O 3.49Å; F2116-L2294 PolarHBondContact O-N 3.15Å; I2202-L2294 HydrophobicContact CD1-CD1 4.28Å; L2250-L2294 HydrophobicContact CD1-CD1 4.46Å; L2250-L2294 HydrophobicContact CD1-CD2 4.35Å; A2267-L2294 HydrophobicContact CB-CD2 4.32Å; S2269-L2294 VanDerWaalsContact CB-CD1 3.45Å; S2269-L2294 WeakPolarHBondContact OG-CD1 3.38Å
2295Q85.7Confident77.7Confident10 Ų1049 Ų495%0.04726%0.256CS..EExtended strand (participates in β ladder)trans-116.5135.1-165.2-168.2178-82.200113.1I2113 V2114 R2115 I2281I2113-Q2295 HydrophobicContact CG2-CG 3.6Å; V2114-Q2295 WeakPolarHBondContact O-CA 3.3Å; R2115-Q2295 HydrophobicContact CG-CG 4.39Å; I2281-Q2295 PolarHBondContact O-NE2 2.8Å
2296V87.7Confident76.9Confident1 Ų145.9 Ų45.91%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-132.9139177.3175.70000110.1V2114 F2116 L2150 I2202 I2206V2114-V2296 PolarHBondContact N-O 2.87Å; V2114-V2296 PolarHBondContact O-N 3.35Å; F2116-V2296 HydrophobicContact CE2-CB 4.3Å; F2116-V2296 HydrophobicContact CE2-CG2 3.97Å; L2150-V2296 HydrophobicContact CD2-CG1 4.42Å; I2202-V2296 HydrophobicContact CD1-CG2 3.97Å; I2202-V2296 HydrophobicContact CG1-CG2 4.37Å; I2206-V2296 HydrophobicContact CD1-CG1 3.48Å; I2206-V2296 VanDerWaalsContact CD1-CG1 3.48Å; I2206-V2296 HydrophobicContact CG1-CG1 3.94Å
2297V88.9Confident76.1Confident6 Ų649.7 Ų49.74%0.03626%0.258CS..EExtended strand (participates in β ladder)trans-104.2118.6178.6-175.10000110.6I2111 L2112 A2204 F2205 I2206 I2281I2111-V2297 HydrophobicContact CG2-CG1 3.9Å; L2112-V2297 CarbonylContact O-C 3.57Å; L2112-V2297 WeakPolarHBondContact O-CA 3.47Å; A2204-V2297 WeakPolarHBondContact O-CB 3.47Å; A2204-V2297 PolarHBondContact O-N 2.81Å; F2205-V2297 CarbonylContact C-O 3.49Å; F2205-V2297 WeakPolarHBondContact CA-O 3.44Å; F2205-V2297 HydrophobicContact CD1-CB 3.79Å; F2205-V2297 HydrophobicContact CD1-CG1 4.08Å; F2205-V2297 HydrophobicContact CD1-CG2 4.24Å; F2205-V2297 HydrophobicContact CE1-CB 4.2Å; F2205-V2297 HydrophobicContact CE1-CG1 4.38Å; F2205-V2297 HydrophobicContact CE1-CG2 4.2Å; I2206-V2297 PolarHBondContact N-O 3.43Å; I2281-V2297 HydrophobicContact CD1-CG2 3.76Å
2298G88.3Confident75.7Confident0 Ų043.6 Ų43.60%022%0.22CC..EExtended strand (participates in β ladder)trans-104124.2178.400000113.1L2112 I2206L2112-G2298 PolarHBondContact N-O 3.27Å; L2112-G2298 PolarHBondContact O-N 3.38Å; I2206-G2298 CarbonylContact O-C 3.4Å; I2206-G2298 WeakPolarHBondContact O-CA 3.4Å
2299F90.3Very high75.4Confident0 Ų035.4 Ų35.40%020%0.195CC..EExtended strand (participates in β ladder)trans-91.6116.7167.7-62.1-86.3000109Y2102 L2103 Y2106 I2111 F2205 I2206 Q2207 V2208 P2217 I2220Y2102-F2299 HydrophobicContact CE1-CD1 4.49Å; Y2102-F2299 HydrophobicContact CE1-CD2 4.45Å; Y2102-F2299 HydrophobicContact CE1-CG 4.4Å; L2103-F2299 HydrophobicContact CD1-CE1 3.88Å; L2103-F2299 HydrophobicContact CD1-CZ 4.37Å; Y2106-F2299 HydrophobicContact CD1-CB 4.34Å; Y2106-F2299 AromaticContact CD2-CD1 3.89Å; Y2106-F2299 HydrophobicContact CD2-CD1 3.89Å; Y2106-F2299 HydrophobicContact CE1-CB 4.02Å; Y2106-F2299 HydrophobicContact CE2-CB 4.3Å; Y2106-F2299 HydrophobicContact CE2-CD1 4.22Å; Y2106-F2299 HydrophobicContact CG-CD1 4.11Å; I2111-F2299 HydrophobicContact CD1-CD1 4.16Å; I2111-F2299 HydrophobicContact CD1-CE1 3.9Å; I2111-F2299 HydrophobicContact CG1-CD1 3.77Å; I2111-F2299 HydrophobicContact CG1-CE1 3.97Å; I2111-F2299 HydrophobicContact CG2-CE1 4.41Å; F2205-F2299 HydrophobicContact CB-CE2 4.23Å; F2205-F2299 AromaticContact CD1-CE2 3.96Å; F2205-F2299 HydrophobicContact CD1-CE2 3.96Å; F2205-F2299 HydrophobicContact CD1-CZ 4.29Å; I2206-F2299 WeakPolarHBondContact O-CD2 3.4Å; I2206-F2299 PolarHBondContact O-N 2.91Å; Q2207-F2299 CarbonylContact C-O 3.58Å; Q2207-F2299 WeakPolarHBondContact CA-O 3.49Å; Q2207-F2299 HydrophobicContact CB-CB 4.39Å; V2208-F2299 PolarHBondContact N-O 3.3Å; P2217-F2299 HydrophobicContact CG-CD2 4.45Å; P2217-F2299 HydrophobicContact CG-CE2 4.3Å; I2220-F2299 HydrophobicContact CD1-CE2 3.87Å; I2220-F2299 HydrophobicContact CD1-CZ 3.65Å
2300I86.9Confident75.2Confident7 Ų741.8 Ų41.84%0.03622%0.218CC..EExtended strand (participates in β ladder)trans-100.2121.1-173.9-59.9169.1000109.7P2036 D2110 L2112 V2208P2036-I2300 HydrophobicContact CG-CD1 4.49Å; D2110-I2300 PolarHBondContact O-N 3.28Å; L2112-I2300 HydrophobicContact CB-CD1 4.05Å; L2112-I2300 HydrophobicContact CD2-CD1 4.21Å; V2208-I2300 HydrophobicContact CG2-CG1 4.49Å
2301D82.3Confident74.5Confident35 Ų3543 Ų4319%0.18722%0.215CC..PPolyproline II helixtrans-70138.7169.2-75.211.6000110.7Y2106 R2154 Q2207 V2208 P2209 N2210Y2106-D2301 PolarHBondContact OH-OD1 3.47Å; R2154-D2301 PolarHBondContact NH1-O 3.04Å; Q2207-D2301 PolarHBondContact NE2-OD1 3.11Å; V2208-D2301 PolarHBondContact O-N 2.92Å; P2209-D2301 WeakPolarHBondContact CA-OD2 3.45Å; N2210-D2301 PolarHBondContact OD1-O 3.19Å; N2210-D2301 VanDerWaalsContact OD1-O 3.07Å
2302R77.2Confident73.6Confident94 Ų9443.6 Ų43.636%0.35522%0.22SC..PPolyproline II helixtrans-76.8131.2174.5-63.3-175.1-175.6-150.2-3.7112T2032 I2033 T2107 D2110 N2210T2032-R2302 CarbonylContact O-C 3.59Å; T2032-R2302 VanDerWaalsContact O-CA 3.26Å; T2032-R2302 WeakPolarHBondContact O-CA 3.48Å; T2032-R2302 WeakPolarHBondContact O-CB 3.34Å; I2033-R2302 HydrophobicContact CG1-CG 4.32Å; T2107-R2302 PolarHBondContact OG1-NH2 3.11Å; D2110-R2302 VanDerWaalsContact OD1-CG 3.25Å; D2110-R2302 WeakPolarHBondContact OD1-CG 3.16Å; D2110-R2302 IonicContact OD1-CZ 2.58Å; D2110-R2302 IonicContact OD1-NE 3.74Å; D2110-R2302 PolarHBondContact OD1-NE 3.43Å; D2110-R2302 IonicContact OD1-NH2 2.79Å; D2110-R2302 PolarHBondContact OD1-NH2 2.9Å; D2110-R2302 IonicContact OD2-CZ 2.69Å; D2110-R2302 IonicContact OD2-NE 3.78Å; D2110-R2302 PolarHBondContact OD2-NE 2.89Å; D2110-R2302 IonicContact OD2-NH2 3.7Å; D2110-R2302 PolarHBondContact OD2-NH2 2.07Å; N2210-R2302 PolarHBondContact ND2-O 2.98Å; N2210-R2302 PolarHBondContact OD1-O 2.95Å
2303A68Low72.5Confident7 Ų748.8 Ų48.86%0.05824%0.237CC..BIsolated β-bridgetrans-74.7150.517900000112.2G2031 T2032 N2210G2031-A2303 WeakPolarHBondContact CA-O 3.14Å; T2032-A2303 PolarHBondContact N-O 3.06Å; T2032-A2303 PolarHBondContact O-N 2.95Å; T2032-A2303 PolarHBondContact OG1-O 3.03Å; N2210-A2303 WeakPolarHBondContact OD1-CA 3.38Å; N2210-A2303 PolarHBondContact OD1-N 3.22Å
2304F64Low71.4Confident107 Ų10749.3 Ų49.347%0.46925%0.251SS..PPolyproline II helixtrans-103.7138.5168.1-70.2-74.3000109.8S2306F2304-S2306 PolarHBondContact O-N 3.3Å
2305P60.8Low70.4Confident46 Ų4651.9 Ų51.930%0.29928%0.279SS..PPolyproline II helixtrans-49.6133171-28.934.4000112.1F2307 L2308 A2309P2305-F2307 PolarHBondContact O-N 2.86Å; P2305-L2308 HydrophobicContact CB-CD1 4.45Å; P2305-L2308 HydrophobicContact CG-CD1 4.3Å; P2305-L2308 WeakPolarHBondContact O-CB 3.49Å; P2305-L2308 PolarHBondContact O-N 3.46Å; P2305-A2309 PolarHBondContact O-N 3.14Å
2306S58.6Low69.3Low43 Ų4354.3 Ų54.330%0.30129%0.294SS..Hα-helixtrans-56.7-29.7-168.756.80000114.7N2159 F2304 K2310N2159-S2306 VanDerWaalsContact O-CB 3.23Å; N2159-S2306 WeakPolarHBondContact O-CB 3.35Å; N2159-S2306 PolarHBondContact O-OG 3.04Å; F2304-S2306 PolarHBondContact O-N 3.3Å; S2306-K2310 PolarHBondContact O-N 3.43Å
2307F57.1Low68.5Low95 Ų9560.3 Ų60.342%0.41733%0.325SS..Hα-helixtrans-61.7-48171.4174.1-102000112.8L1822 P2305 K2310 V2311L1822-F2307 HydrophobicContact CD2-CE2 4.31Å; L1822-F2307 HydrophobicContact CD2-CZ 4.3Å; P2305-F2307 PolarHBondContact O-N 2.86Å; F2307-K2310 PolarHBondContact O-N 2.91Å; F2307-V2311 HydrophobicContact CE1-CG2 4.47Å; F2307-V2311 HydrophobicContact CE2-CG2 4.34Å; F2307-V2311 HydrophobicContact CZ-CG2 4.2Å; F2307-V2311 PolarHBondContact O-N 2.66Å; F2307-V2311 VanDerWaalsContact O-N 3.17Å
2308L59.8Low67.6Low18 Ų1863.1 Ų63.19%0.09435%0.348CS..Hα-helixtrans-66-44.2-179.7-68177.5000110.5L2027 P2305 K2310 V2311 F2312L2027-L2308 HydrophobicContact CD1-CD2 4.16Å; L2027-L2308 HydrophobicContact CD2-CD2 4.14Å; P2305-L2308 HydrophobicContact CB-CD1 4.45Å; P2305-L2308 HydrophobicContact CG-CD1 4.3Å; P2305-L2308 WeakPolarHBondContact O-CB 3.49Å; P2305-L2308 PolarHBondContact O-N 3.46Å; L2308-K2310 PolarHBondContact O-N 2.87Å; L2308-V2311 PolarHBondContact O-N 3.15Å; L2308-V2311 VanDerWaalsContact O-N 3.17Å; L2308-F2312 HydrophobicContact CB-CD2 4.01Å; L2308-F2312 HydrophobicContact CB-CE2 3.88Å; L2308-F2312 HydrophobicContact CD2-CE2 4.08Å; L2308-F2312 HydrophobicContact CG-CE2 4.42Å; L2308-F2312 WeakPolarHBondContact O-CB 3.41Å; L2308-F2312 WeakPolarHBondContact O-CD2 3.35Å; L2308-F2312 WeakPolarHBondContact O-CG 3.29Å; L2308-F2312 PolarHBondContact O-N 3.34Å
2309A59.9Low66.7Low36 Ų3667.3 Ų67.330%0.29837%0.374SS..Hα-helixtrans-58.3-30.2175.500000113.2P2305 K2313P2305-A2309 PolarHBondContact O-N 3.14Å; A2309-K2313 WeakPolarHBondContact O-CD 3.4Å; A2309-K2313 VanDerWaalsContact O-CG 3.25Å; A2309-K2313 WeakPolarHBondContact O-CG 3.44Å; A2309-K2313 PolarHBondContact O-N 3.02Å
2310K61.5Low65.8Low176 Ų17670.4 Ų70.477%0.76539%0.386SS*.Hα-helixtrans-78.9-35.8177.2-161.3171.7-175.1176.70112.9S2306 F2307 L2308S2306-K2310 PolarHBondContact O-N 3.43Å; F2307-K2310 PolarHBondContact O-N 2.91Å; L2308-K2310 PolarHBondContact O-N 2.87Å
2311V58.2Low65.4Low73 Ų7374.4 Ų74.444%0.44241%0.407SS..Hα-helixtrans-74.5-42.6176.5176.40000111.5F2307 L2308 K2313 G2314F2307-V2311 HydrophobicContact CE1-CG2 4.47Å; F2307-V2311 HydrophobicContact CE2-CG2 4.34Å; F2307-V2311 HydrophobicContact CZ-CG2 4.2Å; F2307-V2311 PolarHBondContact O-N 2.66Å; F2307-V2311 VanDerWaalsContact O-N 3.17Å; L2308-V2311 PolarHBondContact O-N 3.15Å; L2308-V2311 VanDerWaalsContact O-N 3.17Å; V2311-K2313 VanDerWaalsContact C-N 3.27Å; V2311-K2313 PolarHBondContact O-N 2.95Å; V2311-G2314 PolarHBondContact O-N 3.41Å
2312F59.2Low65.2Low79 Ų7975.5 Ų75.535%0.34642%0.417SS..Hα-helixtrans-71.8-16.2-179.9-68.5-53000114.3L2027 L2308 G2314 V2316L2027-F2312 HydrophobicContact CB-CZ 4.48Å; L2308-F2312 HydrophobicContact CB-CD2 4.01Å; L2308-F2312 HydrophobicContact CB-CE2 3.88Å; L2308-F2312 HydrophobicContact CD2-CE2 4.08Å; L2308-F2312 HydrophobicContact CG-CE2 4.42Å; L2308-F2312 WeakPolarHBondContact O-CB 3.41Å; L2308-F2312 WeakPolarHBondContact O-CD2 3.35Å; L2308-F2312 WeakPolarHBondContact O-CG 3.29Å; L2308-F2312 PolarHBondContact O-N 3.34Å; F2312-G2314 PolarHBondContact O-N 3.12Å; F2312-V2316 HydrophobicContact CD1-CG2 4.05Å; F2312-V2316 HydrophobicContact CE1-CG2 4.5Å
2313K59.9Low65.1Low160 Ų16073.9 Ų73.970%0.69642%0.417SS*.THydrogen-bonded Turntrans-69.5-10.4167.1-80.2175.7-178.7-173.30113.1A2309 V2311A2309-K2313 WeakPolarHBondContact O-CD 3.4Å; A2309-K2313 VanDerWaalsContact O-CG 3.25Å; A2309-K2313 WeakPolarHBondContact O-CG 3.44Å; A2309-K2313 PolarHBondContact O-N 3.02Å; V2311-K2313 VanDerWaalsContact C-N 3.27Å; V2311-K2313 PolarHBondContact O-N 2.95Å
2314G60.6Low65.6Low41 Ų4176.1 Ų76.142%0.42343%0.428SS..SBendtrans-105.2156.2172.700000113.4V2311 F2312 V2316V2311-G2314 PolarHBondContact O-N 3.41Å; F2312-G2314 PolarHBondContact O-N 3.12Å; G2314-V2316 PolarHBondContact O-N 3.01Å
2315G64.5Low66.5Low56 Ų5676.6 Ų76.658%0.57744%0.435SS*.  trans-7084-178.700000113.8I2317 A2318 V2319G2315-I2317 PolarHBondContact O-N 2.88Å; G2315-I2317 VanDerWaalsContact O-N 3.14Å; G2315-A2318 WeakPolarHBondContact O-CA 3.4Å; G2315-A2318 WeakPolarHBondContact O-CB 3.45Å; G2315-A2318 PolarHBondContact O-N 3.45Å; G2315-V2319 PolarHBondContact O-N 2.98Å; G2315-V2319 VanDerWaalsContact O-N 3.12Å
2316V62Low67.4Low60 Ų6079.2 Ų79.236%0.36445%0.45SS..Hα-helixtrans-52.9-36.7-178.1-178.40000113.1F2312 G2314 A2318 V2319 Y2320F2312-V2316 HydrophobicContact CD1-CG2 4.05Å; F2312-V2316 HydrophobicContact CE1-CG2 4.5Å; G2314-V2316 PolarHBondContact O-N 3.01Å; V2316-A2318 VanDerWaalsContact C-N 3.35Å; V2316-A2318 PolarHBondContact O-N 3.26Å; V2316-V2319 PolarHBondContact O-N 3.03Å; V2316-Y2320 WeakPolarHBondContact O-CB 3.39Å; V2316-Y2320 PolarHBondContact O-N 3.47Å
2317I70.1Confident68.3Low128 Ų12878.6 Ų78.666%0.65644%0.444SS*.Hα-helixtrans-64-38.2176-62.9173000111.5G2315 Y2320 L2321G2315-I2317 PolarHBondContact O-N 2.88Å; G2315-I2317 VanDerWaalsContact O-N 3.14Å; I2317-Y2320 PolarHBondContact O-N 3.48Å; I2317-L2321 HydrophobicContact CG2-CD1 4.01Å; I2317-L2321 WeakPolarHBondContact O-CB 3.23Å; I2317-L2321 WeakPolarHBondContact O-CG 3.29Å; I2317-L2321 PolarHBondContact O-N 3.38Å
2318A71.5Confident69.3Low64 Ų6475.8 Ų75.853%0.52944%0.442SS..Hα-helixtrans-70-38.6176.100000111.2G2315 V2316 S2322G2315-A2318 WeakPolarHBondContact O-CA 3.4Å; G2315-A2318 WeakPolarHBondContact O-CB 3.45Å; G2315-A2318 PolarHBondContact O-N 3.45Å; V2316-A2318 VanDerWaalsContact C-N 3.35Å; V2316-A2318 PolarHBondContact O-N 3.26Å; A2318-S2322 VanDerWaalsContact O-CB 3.28Å; A2318-S2322 WeakPolarHBondContact O-CB 3.16Å; A2318-S2322 PolarHBondContact O-N 3.13Å; A2318-S2322 PolarHBondContact O-OG 3.46Å
2319V67.6Low70.1Confident88 Ų8884.1 Ų84.153%0.53347%0.472SS..Hα-helixtrans-61.2-50.2172.3-179.50000110.2G2315 V2316 L2321 S2322 V2323G2315-V2319 PolarHBondContact O-N 2.98Å; G2315-V2319 VanDerWaalsContact O-N 3.12Å; V2316-V2319 PolarHBondContact O-N 3.03Å; V2319-L2321 PolarHBondContact O-N 3.39Å; V2319-S2322 PolarHBondContact O-N 2.99Å; V2319-S2322 PolarHBondContact O-OG 3.04Å; V2319-V2323 HydrophobicContact CG1-CG2 4.39Å; V2319-V2323 WeakPolarHBondContact O-CG2 3.4Å; V2319-V2323 PolarHBondContact O-N 2.93Å
2320Y72.8Confident70.6Confident66 Ų6684.8 Ų84.826%0.25948%0.482SS..Hα-helixtrans-57-48.9176.7172.2-105000113P2020 V2316 I2317 S2322 V2323 I2324P2020-Y2320 HydrophobicContact CB-CD2 3.68Å; P2020-Y2320 HydrophobicContact CB-CE2 4Å; P2020-Y2320 HydrophobicContact CG-CD2 3.99Å; P2020-Y2320 HydrophobicContact CG-CE2 4.16Å; V2316-Y2320 WeakPolarHBondContact O-CB 3.39Å; V2316-Y2320 PolarHBondContact O-N 3.47Å; I2317-Y2320 PolarHBondContact O-N 3.48Å; Y2320-S2322 VanDerWaalsContact C-N 3.35Å; Y2320-S2322 PolarHBondContact O-N 3.24Å; Y2320-V2323 PolarHBondContact O-N 3.32Å; Y2320-I2324 HydrophobicContact CD1-CD1 4.38Å; Y2320-I2324 HydrophobicContact CD2-CD1 4.07Å; Y2320-I2324 HydrophobicContact CE1-CD1 3.77Å; Y2320-I2324 HydrophobicContact CE2-CD1 3.41Å; Y2320-I2324 VanDerWaalsContact CE2-CD1 3.41Å; Y2320-I2324 HydrophobicContact CE2-CG1 4.28Å; Y2320-I2324 PolarHBondContact O-N 3.27Å; Y2320-I2324 WeakPolarHBondContact OH-CD1 3.43Å
2321L78.4Confident71Confident91 Ų9181.6 Ų81.648%0.47647%0.473SS..Hα-helixtrans-61.4-41.9175.4-79.1166.7000111.8I2317 V2319 I2324 L2325I2317-L2321 HydrophobicContact CG2-CD1 4.01Å; I2317-L2321 WeakPolarHBondContact O-CB 3.23Å; I2317-L2321 WeakPolarHBondContact O-CG 3.29Å; I2317-L2321 PolarHBondContact O-N 3.38Å; V2319-L2321 PolarHBondContact O-N 3.39Å; L2321-I2324 PolarHBondContact O-N 3.32Å; L2321-L2325 VanDerWaalsContact O-CB 3.26Å; L2321-L2325 WeakPolarHBondContact O-CB 3.34Å; L2321-L2325 WeakPolarHBondContact O-CG 3.38Å; L2321-L2325 PolarHBondContact O-N 3.08Å
2322S77.3Confident71.8Confident58 Ų5881.1 Ų81.141%0.40647%0.47SS..Hα-helixtrans-63.3-43177.3760000111.8A2318 V2319 Y2320 L2325 V2326A2318-S2322 VanDerWaalsContact O-CB 3.28Å; A2318-S2322 WeakPolarHBondContact O-CB 3.16Å; A2318-S2322 PolarHBondContact O-N 3.13Å; A2318-S2322 PolarHBondContact O-OG 3.46Å; V2319-S2322 PolarHBondContact O-N 2.99Å; V2319-S2322 PolarHBondContact O-OG 3.04Å; Y2320-S2322 VanDerWaalsContact C-N 3.35Å; Y2320-S2322 PolarHBondContact O-N 3.24Å; S2322-L2325 PolarHBondContact O-N 3.03Å; S2322-V2326 VanDerWaalsContact O-CB 3.32Å; S2322-V2326 WeakPolarHBondContact O-CB 3.43Å; S2322-V2326 WeakPolarHBondContact O-CG2 3.3Å; S2322-V2326 PolarHBondContact O-N 2.67Å
2323V74.5Confident72.7Confident59 Ų5984.8 Ų84.836%0.35848%0.482SS..Hα-helixtrans-65.9-44.5178.81700000111.2F2016 V2319 Y2320 V2326 V2327F2016-V2323 HydrophobicContact CE1-CG1 3.91Å; F2016-V2323 HydrophobicContact CZ-CG1 3.49Å; F2016-V2323 VanDerWaalsContact CZ-CG1 3.49Å; V2319-V2323 HydrophobicContact CG1-CG2 4.39Å; V2319-V2323 WeakPolarHBondContact O-CG2 3.4Å; V2319-V2323 PolarHBondContact O-N 2.93Å; Y2320-V2323 PolarHBondContact O-N 3.32Å; V2323-V2326 PolarHBondContact O-N 2.78Å; V2323-V2327 PolarHBondContact O-N 3.1Å
2324I80.2Confident73.5Confident55 Ų5578.1 Ų78.128%0.28246%0.458SS..Hα-helixtrans-66.2-39.4175.8-73.7-175.5000111.7Y2320 L2321 G2328Y2320-I2324 HydrophobicContact CD1-CD1 4.38Å; Y2320-I2324 HydrophobicContact CD2-CD1 4.07Å; Y2320-I2324 HydrophobicContact CE1-CD1 3.77Å; Y2320-I2324 HydrophobicContact CE2-CD1 3.41Å; Y2320-I2324 VanDerWaalsContact CE2-CD1 3.41Å; Y2320-I2324 HydrophobicContact CE2-CG1 4.28Å; Y2320-I2324 PolarHBondContact O-N 3.27Å; Y2320-I2324 WeakPolarHBondContact OH-CD1 3.43Å; L2321-I2324 PolarHBondContact O-N 3.32Å; I2324-G2328 WeakPolarHBondContact O-CA 3.46Å; I2324-G2328 PolarHBondContact O-N 3.25Å
2325L81.4Confident74.1Confident117 Ų11781.6 Ų81.661%0.61347%0.466SS*.Hα-helixtrans-67.4-40.8175.7-74169.9000111.7L2321 S2322 R2329L2321-L2325 VanDerWaalsContact O-CB 3.26Å; L2321-L2325 WeakPolarHBondContact O-CB 3.34Å; L2321-L2325 WeakPolarHBondContact O-CG 3.38Å; L2321-L2325 PolarHBondContact O-N 3.08Å; S2322-L2325 PolarHBondContact O-N 3.03Å; L2325-R2329 WeakPolarHBondContact O-CA 3.39Å; L2325-R2329 WeakPolarHBondContact O-CB 3.49Å; L2325-R2329 PolarHBondContact O-N 2.91Å
2326V80.6Confident74.7Confident101 Ų10186.2 Ų86.261%0.61247%0.47SS*.Hα-helixtrans-65.1-45.6176.8166.70000111.2S2322 V2323 G2330S2322-V2326 VanDerWaalsContact O-CB 3.32Å; S2322-V2326 WeakPolarHBondContact O-CB 3.43Å; S2322-V2326 WeakPolarHBondContact O-CG2 3.3Å; S2322-V2326 PolarHBondContact O-N 2.67Å; V2323-V2326 PolarHBondContact O-N 2.78Å; V2326-G2330 WeakPolarHBondContact O-CA 3.42Å; V2326-G2330 PolarHBondContact O-N 3.01Å
2327V76.9Confident75.6Confident30 Ų3087.3 Ų87.318%0.18248%0.477CS..Iπ-helixtrans-74.4-40.5179171.80000112.2F2016 V2323 L2331 V2332F2016-V2327 HydrophobicContact CD1-CB 4.39Å; F2016-V2327 HydrophobicContact CD1-CG1 4.04Å; F2016-V2327 HydrophobicContact CE1-CB 3.64Å; F2016-V2327 HydrophobicContact CE1-CG1 3.77Å; F2016-V2327 HydrophobicContact CE1-CG2 3.58Å; F2016-V2327 HydrophobicContact CE2-CG2 4.14Å; F2016-V2327 HydrophobicContact CZ-CB 3.95Å; F2016-V2327 HydrophobicContact CZ-CG1 4.2Å; F2016-V2327 HydrophobicContact CZ-CG2 3.31Å; V2323-V2327 PolarHBondContact O-N 3.1Å; V2327-L2331 HydrophobicContact CG1-CB 4.45Å; V2327-L2331 HydrophobicContact CG1-CD1 4.25Å; V2327-L2331 HydrophobicContact CG2-CD1 4.09Å; V2327-L2331 PolarHBondContact O-N 3.45Å; V2327-L2331 VanDerWaalsContact O-N 3.15Å; V2327-V2332 HydrophobicContact CG1-CG2 4.33Å; V2327-V2332 PolarHBondContact O-N 3.32Å
2328G77.9Confident75.8Confident36 Ų3684.7 Ų84.737%0.37147%0.467SS..Iπ-helixtrans-65.5-45.5177.200000113I2324 R2333I2324-G2328 WeakPolarHBondContact O-CA 3.46Å; I2324-G2328 PolarHBondContact O-N 3.25Å; G2328-R2333 WeakPolarHBondContact O-CB 3.34Å; G2328-R2333 PolarHBondContact O-N 3.35Å
2329R78Confident76.1Confident193 Ų19384.9 Ų84.973%0.72847%0.465SS*.Iπ-helixtrans-84.4-40.4-179.1-170.5-177.7171.4100.51.8113L2325L2325-R2329 WeakPolarHBondContact O-CA 3.39Å; L2325-R2329 WeakPolarHBondContact O-CB 3.49Å; L2325-R2329 PolarHBondContact O-N 2.91Å
2330G69.6Low76.8Confident49 Ų4985 Ų8551%0.50547%0.467SS..Iπ-helixtrans-83.3-56.1-174.400000113.4V2326 G2334V2326-G2330 WeakPolarHBondContact O-CA 3.42Å; V2326-G2330 PolarHBondContact O-N 3.01Å; G2330-G2334 WeakPolarHBondContact O-CA 3.48Å
2331L69.7Low77.2Confident110 Ų11085.8 Ų85.858%0.57648%0.482SS*.Iπ-helixtrans-84.2-63.9-176.4-68.3172.9000112V2327 G2334 I2335V2327-L2331 HydrophobicContact CG1-CB 4.45Å; V2327-L2331 HydrophobicContact CG1-CD1 4.25Å; V2327-L2331 HydrophobicContact CG2-CD1 4.09Å; V2327-L2331 PolarHBondContact O-N 3.45Å; V2327-L2331 VanDerWaalsContact O-N 3.15Å; L2331-G2334 PolarHBondContact O-N 3.12Å; L2331-I2335 WeakPolarHBondContact O-CD1 3.49Å; L2331-I2335 WeakPolarHBondContact O-CG1 3.49Å; L2331-I2335 PolarHBondContact O-N 3.15Å; L2331-I2335 VanDerWaalsContact O-N 3.14Å
2332V75.1Confident77.5Confident62 Ų6283.7 Ų83.738%0.37647%0.474SS..Iπ-helixtrans-66.2-55.2-170.3-1790000110.8V2327 G2334 F2336V2327-V2332 HydrophobicContact CG1-CG2 4.33Å; V2327-V2332 PolarHBondContact O-N 3.32Å; V2332-G2334 VanDerWaalsContact C-N 3.33Å; V2332-G2334 PolarHBondContact O-N 3.43Å; V2332-F2336 HydrophobicContact CG1-CD2 4.18Å; V2332-F2336 HydrophobicContact CG1-CE2 4.07Å; V2332-F2336 WeakPolarHBondContact O-CD2 3.29Å; V2332-F2336 PolarHBondContact O-N 3.49Å
2333R78.9Confident77.9Confident157 Ų15784.3 Ų84.359%0.59248%0.475SS*.Hα-helixtrans-65.3-36.1177.9-175.1175.5-177.4140.41.1112.2G2328 F2336 T2337G2328-R2333 WeakPolarHBondContact O-CB 3.34Å; G2328-R2333 PolarHBondContact O-N 3.35Å; R2333-F2336 PolarHBondContact O-N 3.11Å; R2333-T2337 HydrophobicContact CG-CG2 3.64Å; R2333-T2337 WeakPolarHBondContact O-CB 3.37Å; R2333-T2337 WeakPolarHBondContact O-CG2 3.43Å; R2333-T2337 PolarHBondContact O-N 3.4Å; R2333-T2337 PolarHBondContact O-OG1 2.8Å
2334G76.1Confident78.4Confident20 Ų2085 Ų8521%0.20648%0.475CS..Hα-helixtrans-51.2-58.9175.500000111.5G2330 L2331 V2332 F2336 T2337 T2338G2330-G2334 WeakPolarHBondContact O-CA 3.48Å; L2331-G2334 PolarHBondContact O-N 3.12Å; V2332-G2334 VanDerWaalsContact C-N 3.33Å; V2332-G2334 PolarHBondContact O-N 3.43Å; G2334-F2336 PolarHBondContact O-N 3.5Å; G2334-T2337 PolarHBondContact O-N 2.89Å; G2334-T2338 WeakPolarHBondContact O-CG2 3.45Å; G2334-T2338 PolarHBondContact O-N 2.96Å; G2334-T2338 PolarHBondContact O-OG1 2.95Å
2335I73.9Confident78.5Confident114 Ų11485.3 Ų85.359%0.58547%0.474SS*.Hα-helixtrans-54.8-46.3-179-65.9163000112.6L2331L2331-I2335 WeakPolarHBondContact O-CD1 3.49Å; L2331-I2335 WeakPolarHBondContact O-CG1 3.49Å; L2331-I2335 PolarHBondContact O-N 3.15Å; L2331-I2335 VanDerWaalsContact O-N 3.14Å
2336F77.4Confident78.6Confident153 Ų15382 Ų8267%0.67146%0.459SS*.Hα-helixtrans-78.4-28.8-176.4-68.6-64.4000114.1V2332 R2333 G2334V2332-F2336 HydrophobicContact CG1-CD2 4.18Å; V2332-F2336 HydrophobicContact CG1-CE2 4.07Å; V2332-F2336 WeakPolarHBondContact O-CD2 3.29Å; V2332-F2336 PolarHBondContact O-N 3.49Å; R2333-F2336 PolarHBondContact O-N 3.11Å; G2334-F2336 PolarHBondContact O-N 3.5Å
2337T79.2Confident78.9Confident82 Ų8283.1 Ų83.150%0.50346%0.458SS..Hα-helixtrans-88.3-26.2-178.158.10000114.3R2333 G2334R2333-T2337 HydrophobicContact CG-CG2 3.64Å; R2333-T2337 WeakPolarHBondContact O-CB 3.37Å; R2333-T2337 WeakPolarHBondContact O-CG2 3.43Å; R2333-T2337 PolarHBondContact O-N 3.4Å; R2333-T2337 PolarHBondContact O-OG1 2.8Å; G2334-T2337 PolarHBondContact O-N 2.89Å
2338T75.6Confident79.4Confident73 Ų7382 Ų8245%0.44845%0.451SS..Hα-helixtrans-83.2-29.7177.3580000113G2334 S2341 T2342G2334-T2338 WeakPolarHBondContact O-CG2 3.45Å; G2334-T2338 PolarHBondContact O-N 2.96Å; G2334-T2338 PolarHBondContact O-OG1 2.95Å; T2338-S2341 PolarHBondContact O-N 3.45Å; T2338-S2341 PolarHBondContact O-OG 3.27Å; T2338-T2342 PolarHBondContact O-N 3.31Å; T2338-T2342 PolarHBondContact O-OG1 2.97Å
2339S77.5Confident79.8Confident68 Ų6883.2 Ų83.248%0.47645%0.452SS..Hα-helixtrans-53-42.2-175.61740000114.3S2341 T2342 V2343S2339-S2341 PolarHBondContact O-N 3.36Å; S2339-T2342 PolarHBondContact O-N 3.43Å; S2339-T2342 PolarHBondContact O-OG1 3Å; S2339-T2342 VanDerWaalsContact O-OG1 3.06Å; S2339-V2343 WeakPolarHBondContact O-CG2 3.25Å; S2339-V2343 PolarHBondContact O-N 2.97Å
2340P82.1Confident80Confident91 Ų9175.1 Ų75.159%0.59142%0.423SS*.Hα-helixtrans-65.9-32.3176.1-23.535.6000114.6V2343P2340-V2343 WeakPolarHBondContact O-CG2 3.45Å
2341S81.9Confident80.9Confident82 Ų8272.9 Ų72.957%0.57340%0.4SS*.Hα-helixtrans-78.5-22.3179.861.80000112.8T2338 S2339T2338-S2341 PolarHBondContact O-N 3.45Å; T2338-S2341 PolarHBondContact O-OG 3.27Å; S2339-S2341 PolarHBondContact O-N 3.36Å
2342T83.8Confident81.4Confident48 Ų4869.5 Ų69.529%0.29438%0.383SS..Hα-helixtrans-88.4-7.5177.456.50000114.2T2338 S2339 M2344 F2345 T2346T2338-T2342 PolarHBondContact O-N 3.31Å; T2338-T2342 PolarHBondContact O-OG1 2.97Å; S2339-T2342 PolarHBondContact O-N 3.43Å; S2339-T2342 PolarHBondContact O-OG1 3Å; S2339-T2342 VanDerWaalsContact O-OG1 3.06Å; T2342-M2344 PolarHBondContact O-N 2.9Å; T2342-M2344 VanDerWaalsContact O-N 3.12Å; T2342-F2345 PolarHBondContact O-N 3.42Å; T2342-T2346 PolarHBondContact O-N 3.03Å; T2342-T2346 PolarHBondContact O-OG1 2.91Å
2343V85Confident81.7Confident70 Ų7067.2 Ų67.242%0.42437%0.368SS..Hα-helixtrans-51.8-40.5-175.1176.10000112.7S2339 P2340 F2345 T2346 E2347S2339-V2343 WeakPolarHBondContact O-CG2 3.25Å; S2339-V2343 PolarHBondContact O-N 2.97Å; P2340-V2343 WeakPolarHBondContact O-CG2 3.45Å; V2343-F2345 PolarHBondContact O-N 3.46Å; V2343-F2345 VanDerWaalsContact O-N 3.14Å; V2343-T2346 WeakPolarHBondContact CA-OG1 3.47Å; V2343-T2346 PolarHBondContact O-N 3.29Å; V2343-E2347 HydrophobicContact CG1-CB 4.29Å; V2343-E2347 HydrophobicContact CG1-CG 4.12Å; V2343-E2347 PolarHBondContact O-N 3.43Å
2344M84.9Confident82.1Confident75 Ų7559.8 Ų59.837%0.36934%0.34SS..Hα-helixtrans-58.5-23.8178.262.6176.5-67.200114.4T2342 P2387 L2390T2342-M2344 PolarHBondContact O-N 2.9Å; T2342-M2344 VanDerWaalsContact O-N 3.12Å; M2344-P2387 HydrophobicContact CE-CB 4.12Å; M2344-P2387 HydrophobicContact CE-CG 3.73Å; M2344-L2390 WeakPolarHBondContact O-CD2 3.35Å
2345F83.9Confident82.6Confident60 Ų6059.1 Ų59.126%0.26333%0.331SS..Hα-helixtrans-105-26.9177.3-51.9-61.7000112.5H1975 I1979 T2342 V2343 L2348 F2384 L2390H1975-F2345 PolarHBondContact CE1-O 3.43Å; I1979-F2345 WeakPolarHBondContact CD1-O 3.34Å; T2342-F2345 PolarHBondContact O-N 3.42Å; V2343-F2345 PolarHBondContact O-N 3.46Å; V2343-F2345 VanDerWaalsContact O-N 3.14Å; F2345-L2348 WeakPolarHBondContact O-CD1 3.36Å; F2345-L2348 WeakPolarHBondContact O-CG 3.41Å; F2345-F2384 AromaticContact CD1-CD1 3.71Å; F2345-F2384 HydrophobicContact CD1-CD1 3.71Å; F2345-F2384 AromaticContact CD1-CE1 3.98Å; F2345-F2384 HydrophobicContact CD1-CE1 3.98Å; F2345-F2384 AromaticContact CE1-CD1 3.7Å; F2345-F2384 HydrophobicContact CE1-CD1 3.7Å; F2345-F2384 HydrophobicContact CE1-CE1 4.41Å; F2345-L2390 HydrophobicContact CD1-CD2 4.2Å
2346T83.5Confident82.9Confident49 Ų4954.7 Ų54.730%0.30131%0.308SS..Hα-helixtrans-88.1-34.8-175.157.80000113.7T2342 V2343 L2348T2342-T2346 PolarHBondContact O-N 3.03Å; T2342-T2346 PolarHBondContact O-OG1 2.91Å; V2343-T2346 WeakPolarHBondContact CA-OG1 3.47Å; V2343-T2346 PolarHBondContact O-N 3.29Å; T2346-L2348 VanDerWaalsContact C-N 3.28Å; T2346-L2348 PolarHBondContact O-N 2.97Å
2347E85.4Confident83.2Confident124 Ų12447.7 Ų47.758%0.57928%0.277SS*.  trans-93.742.5-176.3-67.3-62.8173.300113.5R1983 V2343R1983-E2347 IonicContact CZ-OE2 2.63Å; R1983-E2347 IonicContact NH2-OE2 3.42Å; R1983-E2347 PolarHBondContact NH2-OE2 3.49Å; V2343-E2347 HydrophobicContact CG1-CB 4.29Å; V2343-E2347 HydrophobicContact CG1-CG 4.12Å; V2343-E2347 PolarHBondContact O-N 3.43Å
2348L88Confident83.6Confident6 Ų643.8 Ų43.83%0.03125%0.254CS..  trans-77.9128.1172.7-57.8174.8000109.3I1979 R1983 F2345 T2346 L2354 L2390 T2394I1979-L2348 HydrophobicContact CD1-CD1 4.05Å; I1979-L2348 HydrophobicContact CG2-CB 4.46Å; R1983-L2348 PolarHBondContact NE-O 2.81Å; R1983-L2348 PolarHBondContact NH2-O 3.19Å; F2345-L2348 WeakPolarHBondContact O-CD1 3.36Å; F2345-L2348 WeakPolarHBondContact O-CG 3.41Å; T2346-L2348 VanDerWaalsContact C-N 3.28Å; T2346-L2348 PolarHBondContact O-N 2.97Å; L2348-L2354 HydrophobicContact CD1-CD1 3.48Å; L2348-L2354 VanDerWaalsContact CD1-CD1 3.48Å; L2348-L2390 HydrophobicContact CD1-CD1 4.37Å; L2348-L2390 HydrophobicContact CD2-CD1 4.07Å; L2348-L2390 HydrophobicContact CD2-CD2 4.16Å; L2348-L2390 HydrophobicContact CD2-CG 3.92Å; L2348-T2394 HydrophobicContact CD2-CG2 4.24Å
2349P85.6Confident83.9Confident61 Ų6142.6 Ų42.640%0.39624%0.244SC..SBendtrans-83.7-37.3-176.127.1-25.5000112.5T2394 M2396P2349-T2394 WeakPolarHBondContact CD-O 3.38Å; P2349-T2394 VanDerWaalsContact CG-O 3.28Å; P2349-T2394 WeakPolarHBondContact CG-O 3.39Å; P2349-M2396 HydrophobicContact CB-CG 4.04Å
2350N84Confident84.1Confident24 Ų2440.4 Ų40.413%0.12823%0.227CC..  trans-121116.7167.4-178.59.8000110.3D2352 H2353 T2394 M2396N2350-D2352 VanDerWaalsContact OD1-CB 3.29Å; N2350-D2352 WeakPolarHBondContact OD1-CB 3.42Å; N2350-D2352 VanDerWaalsContact OD1-CG 3.23Å; N2350-D2352 PolarHBondContact OD1-N 3Å; N2350-D2352 PolarHBondContact OD1-OD1 3.29Å; N2350-H2353 PolarHBondContact ND2-CD2 3.39Å; N2350-H2353 PolarHBondContact ND2-NE2 3.13Å; N2350-T2394 WeakPolarHBondContact CB-O 3.4Å; N2350-T2394 PolarHBondContact N-O 2.89Å; N2350-T2394 WeakPolarHBondContact O-CB 3.36Å; N2350-T2394 WeakPolarHBondContact O-CG2 3.47Å; N2350-M2396 HydrophobicContact CB-SD 4.25Å
2351A86.4Confident84.3Confident2 Ų236.1 Ų36.12%0.01720%0.199CC..  trans-96.3-2.5-179.500000113.4I1976 I1979 H2353 L2354 L2355I1976-A2351 HydrophobicContact CG2-CB 4.35Å; I1979-A2351 HydrophobicContact CB-CB 4.34Å; I1979-A2351 HydrophobicContact CG2-CB 3.96Å; A2351-H2353 PolarHBondContact O-N 2.96Å; A2351-L2354 WeakPolarHBondContact O-CB 3.23Å; A2351-L2354 PolarHBondContact O-N 3.13Å; A2351-L2355 PolarHBondContact O-N 3.09Å; A2351-L2355 VanDerWaalsContact O-N 3.07Å
2352D82.1Confident84.3Confident39 Ų3933.5 Ų33.521%0.20918%0.177CC..Hα-helixtrans-72.3-34.8-163.8-62.92.4000112.5L1375 K1980 N2350 L2354 L2355 K2356L1375-D2352 HydrophobicContact CD2-CB 3.73Å; K1980-D2352 WeakPolarHBondContact CD-OD1 3.4Å; K1980-D2352 WeakPolarHBondContact CE-OD1 3.41Å; K1980-D2352 IonicContact NZ-OD1 3.83Å; K1980-D2352 PolarHBondContact NZ-OD1 3.49Å; K1980-D2352 IonicContact NZ-OD2 3.61Å; K1980-D2352 PolarHBondContact NZ-OD2 2.91Å; N2350-D2352 VanDerWaalsContact OD1-CB 3.29Å; N2350-D2352 WeakPolarHBondContact OD1-CB 3.42Å; N2350-D2352 VanDerWaalsContact OD1-CG 3.23Å; N2350-D2352 PolarHBondContact OD1-N 3Å; N2350-D2352 PolarHBondContact OD1-OD1 3.29Å; D2352-L2354 VanDerWaalsContact C-N 3.33Å; D2352-L2354 PolarHBondContact O-N 3.38Å; D2352-L2355 PolarHBondContact O-N 3.43Å; D2352-K2356 WeakPolarHBondContact O-CB 3.42Å; D2352-K2356 PolarHBondContact O-N 3.28Å
2353H81.3Confident84Confident14 Ų1432.1 Ų32.17%0.06517%0.167CC..Hα-helixtrans-64.6-36.3175-55.5-68.9000112.2N2350 A2351 I2357 W2393N2350-H2353 PolarHBondContact ND2-CD2 3.39Å; N2350-H2353 PolarHBondContact ND2-NE2 3.13Å; A2351-H2353 PolarHBondContact O-N 2.96Å; H2353-I2357 PolarHBondContact O-N 3.49Å; H2353-W2393 VanDerWaalsContact C-CZ3 3.46Å; H2353-W2393 HydrophobicContact CB-CD2 4.18Å; H2353-W2393 HydrophobicContact CB-CE3 3.87Å; H2353-W2393 HydrophobicContact CB-CH2 3.7Å; H2353-W2393 HydrophobicContact CB-CZ2 4.06Å; H2353-W2393 HydrophobicContact CB-CZ3 3.64Å; H2353-W2393 PolarHBondContact CD2-O 2.93Å; H2353-W2393 VanDerWaalsContact O-CH2 3.25Å; H2353-W2393 WeakPolarHBondContact O-CH2 3.07Å; H2353-W2393 WeakPolarHBondContact O-CZ3 3.36Å
2354L87.1Confident83.9Confident0 Ų028.8 Ų28.80%015%0.147CC..Hα-helixtrans-68-43.6173.8-60.1177.2000111.7I1976 L2348 A2351 D2352 K2356 I2357 C2358 L2383 L2390 W2393 T2394I1976-L2354 HydrophobicContact CD1-CB 3.73Å; I1976-L2354 HydrophobicContact CG1-CB 3.99Å; I1976-L2354 HydrophobicContact CG1-CD1 4.14Å; I1976-L2354 HydrophobicContact CG2-CB 3.94Å; L2348-L2354 HydrophobicContact CD1-CD1 3.48Å; L2348-L2354 VanDerWaalsContact CD1-CD1 3.48Å; A2351-L2354 WeakPolarHBondContact O-CB 3.23Å; A2351-L2354 PolarHBondContact O-N 3.13Å; D2352-L2354 VanDerWaalsContact C-N 3.33Å; D2352-L2354 PolarHBondContact O-N 3.38Å; L2354-K2356 VanDerWaalsContact C-N 3.28Å; L2354-K2356 PolarHBondContact O-N 3.05Å; L2354-I2357 PolarHBondContact O-N 3.04Å; L2354-C2358 PolarHBondContact O-N 3.44Å; L2354-C2358 PolarHBondContact O-SG 2.98Å; L2354-L2383 HydrophobicContact CD2-CD2 3.17Å; L2354-L2390 HydrophobicContact CD1-CD1 4.12Å; L2354-L2390 HydrophobicContact CD2-CD1 4.04Å; L2354-W2393 HydrophobicContact CD2-CE3 4.1Å; L2354-W2393 HydrophobicContact CD2-CZ3 4.06Å; L2354-T2394 HydrophobicContact CD1-CG2 4.04Å; L2354-T2394 HydrophobicContact CD2-CG2 4.47Å; L2354-T2394 HydrophobicContact CG-CG2 4.08Å
2355L85.4Confident84Confident7 Ų725.9 Ų25.94%0.03713%0.132CC..Hα-helixtrans-63.4-39.3179.8-17359.5000110.7Y1928 Y1973 I1976 K1980 A2351 D2352 C2358 L2359Y1928-L2355 HydrophobicContact CE1-CD2 3.83Å; Y1928-L2355 WeakPolarHBondContact OH-CD2 3.2Å; Y1973-L2355 HydrophobicContact CD2-CD1 3.95Å; Y1973-L2355 HydrophobicContact CE2-CD1 3.58Å; I1976-L2355 HydrophobicContact CG2-CB 3.81Å; I1976-L2355 HydrophobicContact CG2-CD1 4.15Å; K1980-L2355 HydrophobicContact CB-CD2 4.39Å; K1980-L2355 HydrophobicContact CG-CD2 4.09Å; A2351-L2355 PolarHBondContact O-N 3.09Å; A2351-L2355 VanDerWaalsContact O-N 3.07Å; D2352-L2355 PolarHBondContact O-N 3.43Å; L2355-C2358 WeakPolarHBondContact O-CB 3.5Å; L2355-C2358 PolarHBondContact O-N 3.14Å; L2355-L2359 HydrophobicContact CG-CD1 4.29Å; L2355-L2359 WeakPolarHBondContact O-CG 3.38Å; L2355-L2359 PolarHBondContact O-N 3.43Å
2356K80.7Confident83.6Confident20 Ų2026 Ų269%0.08713%0.134CC..Hα-helixtrans-56.8-51.1173.6-177.5171.7174.3171.70112.2D1373 D1374 D2352 L2354 C2358 L2359 D2360D1373-K2356 PolarHBondContact O-NZ 2.99Å; D1374-K2356 PolarHBondContact O-NZ 3.33Å; D2352-K2356 WeakPolarHBondContact O-CB 3.42Å; D2352-K2356 PolarHBondContact O-N 3.28Å; L2354-K2356 VanDerWaalsContact C-N 3.28Å; L2354-K2356 PolarHBondContact O-N 3.05Å; K2356-C2358 VanDerWaalsContact C-N 3.26Å; K2356-C2358 PolarHBondContact O-N 3.46Å; K2356-L2359 PolarHBondContact O-N 3.22Å; K2356-L2359 VanDerWaalsContact O-N 3.1Å; K2356-D2360 WeakPolarHBondContact O-CB 3.48Å; K2356-D2360 PolarHBondContact O-N 2.77Å
2357I84.3Confident83.4Confident7 Ų726.1 Ų26.14%0.03614%0.14CC..Hα-helixtrans-56.7-41.4175.5-71.2178.5000111.6H2353 L2354 L2359 D2360 I2361 K2379 L2380 W2393H2353-I2357 PolarHBondContact O-N 3.49Å; L2354-I2357 PolarHBondContact O-N 3.04Å; I2357-L2359 PolarHBondContact O-N 2.88Å; I2357-D2360 PolarHBondContact O-N 3.41Å; I2357-I2361 HydrophobicContact CG2-CD1 3.94Å; I2357-I2361 HydrophobicContact CG2-CG1 4.46Å; I2357-I2361 VanDerWaalsContact O-CG1 3.3Å; I2357-I2361 WeakPolarHBondContact O-CG1 3.43Å; I2357-I2361 PolarHBondContact O-N 3.43Å; I2357-K2379 HydrophobicContact CD1-CD 4.24Å; I2357-K2379 HydrophobicContact CD1-CG 4.4Å; I2357-L2380 HydrophobicContact CB-CD1 4.47Å; I2357-L2380 HydrophobicContact CG2-CB 4.07Å; I2357-L2380 HydrophobicContact CG2-CD1 3.99Å; I2357-L2380 HydrophobicContact CG2-CG 4.44Å; I2357-W2393 HydrophobicContact CD1-CH2 3.29Å; I2357-W2393 HydrophobicContact CD1-CZ2 4.22Å; I2357-W2393 HydrophobicContact CD1-CZ3 3.64Å; I2357-W2393 HydrophobicContact CG1-CH2 3.78Å; I2357-W2393 HydrophobicContact CG1-CZ3 4.33Å
2358C87.3Confident83.3Confident0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-65.1-40.5179.2-59.30000112.1Y1973 I1976 L2354 L2355 K2356 I2361 Y2362Y1973-C2358 HydrophobicContact CD2-CB 3.69Å; Y1973-C2358 HydrophobicContact CG-CB 4.46Å; I1976-C2358 VanDerWaalsContact CD1-SG 3.54Å; L2354-C2358 PolarHBondContact O-N 3.44Å; L2354-C2358 PolarHBondContact O-SG 2.98Å; L2355-C2358 WeakPolarHBondContact O-CB 3.5Å; L2355-C2358 PolarHBondContact O-N 3.14Å; K2356-C2358 VanDerWaalsContact C-N 3.26Å; K2356-C2358 PolarHBondContact O-N 3.46Å; C2358-I2361 PolarHBondContact O-N 2.88Å; C2358-Y2362 WeakPolarHBondContact O-CD2 3.32Å; C2358-Y2362 PolarHBondContact O-N 3.46Å
2359L81.1Confident83.1Confident47 Ų4727 Ų2725%0.24614%0.142CC..Hα-helixtrans-67.4-39174.9-67.9173.1000112.1Y1973 L2355 K2356 I2357 I2361 Y2362 L2363Y1973-L2359 HydrophobicContact CE2-CD2 4.43Å; L2355-L2359 HydrophobicContact CG-CD1 4.29Å; L2355-L2359 WeakPolarHBondContact O-CG 3.38Å; L2355-L2359 PolarHBondContact O-N 3.43Å; K2356-L2359 PolarHBondContact O-N 3.22Å; K2356-L2359 VanDerWaalsContact O-N 3.1Å; I2357-L2359 PolarHBondContact O-N 2.88Å; L2359-I2361 PolarHBondContact O-N 2.94Å; L2359-Y2362 HydrophobicContact CD2-CD2 4.48Å; L2359-Y2362 PolarHBondContact O-N 3.19Å; L2359-L2363 WeakPolarHBondContact O-CB 3.45Å; L2359-L2363 PolarHBondContact O-N 3.28Å
2360D81.9Confident83.2Confident23 Ų2327.3 Ų27.312%0.12314%0.138CC..Hα-helixtrans-62.3-41.6175.5-66.7-24.2000110.7I1332 K2356 I2357 Y2362 L2363 V2364 L2376I1332-D2360 HydrophobicContact CD1-CB 4.11Å; K2356-D2360 WeakPolarHBondContact O-CB 3.48Å; K2356-D2360 PolarHBondContact O-N 2.77Å; I2357-D2360 PolarHBondContact O-N 3.41Å; D2360-Y2362 PolarHBondContact O-N 2.99Å; D2360-L2363 PolarHBondContact O-N 2.86Å; D2360-V2364 VanDerWaalsContact O-CB 3.28Å; D2360-V2364 WeakPolarHBondContact O-CB 3.49Å; D2360-V2364 WeakPolarHBondContact O-CG2 3.43Å; D2360-V2364 PolarHBondContact O-N 2.97Å; D2360-L2376 HydrophobicContact CB-CD1 4.13Å
2361I86.6Confident83.2Confident0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-61.2-42.4174.2-65.6164000111.3M1961 M1969 I2357 C2358 L2359 R2365 E2373 L2376 F2377 L2380M1961-I2361 HydrophobicContact CE-CG2 3.7Å; M1969-I2361 HydrophobicContact CE-CB 3.73Å; M1969-I2361 HydrophobicContact CE-CD1 4.44Å; M1969-I2361 HydrophobicContact CE-CG2 3.53Å; M1969-I2361 HydrophobicContact CG-CG2 4.47Å; I2357-I2361 HydrophobicContact CG2-CD1 3.94Å; I2357-I2361 HydrophobicContact CG2-CG1 4.46Å; I2357-I2361 VanDerWaalsContact O-CG1 3.3Å; I2357-I2361 WeakPolarHBondContact O-CG1 3.43Å; I2357-I2361 PolarHBondContact O-N 3.43Å; C2358-I2361 PolarHBondContact O-N 2.88Å; L2359-I2361 PolarHBondContact O-N 2.94Å; I2361-R2365 WeakPolarHBondContact O-CB 3.44Å; I2361-R2365 PolarHBondContact O-N 2.68Å; I2361-E2373 HydrophobicContact CG2-CG 4.31Å; I2361-L2376 HydrophobicContact CD1-CB 4.25Å; I2361-L2376 HydrophobicContact CG1-CB 3.61Å; I2361-L2376 HydrophobicContact CG1-CD1 4.34Å; I2361-F2377 HydrophobicContact CD1-CB 4.4Å; I2361-L2380 HydrophobicContact CD1-CD2 4.16Å
2362Y82.2Confident83.2Confident27 Ų2732.6 Ų32.611%0.10616%0.163CC..Hα-helixtrans-65.3-40.1175.7-67.4-56.6000112.5I1920 M1969 E1970 Y1973 C2358 L2359 D2360 R2365 E2366I1920-Y2362 HydrophobicContact CG2-CG 4.49Å; M1969-Y2362 HydrophobicContact CE-CD1 3.86Å; M1969-Y2362 HydrophobicContact CE-CD2 4.16Å; M1969-Y2362 HydrophobicContact CE-CE1 3.58Å; M1969-Y2362 HydrophobicContact CE-CE2 3.9Å; M1969-Y2362 HydrophobicContact CE-CG 4.13Å; M1969-Y2362 HydrophobicContact SD-CE1 3.92Å; E1970-Y2362 PolarHBondContact OE1-OH 2.67Å; E1970-Y2362 PolarHBondContact OE2-OH 3.47Å; Y1973-Y2362 HydrophobicContact CD1-CE2 4.22Å; Y1973-Y2362 WeakPolarHBondContact CD1-OH 3.4Å; Y1973-Y2362 AromaticContact CD2-CE2 3.97Å; Y1973-Y2362 HydrophobicContact CD2-CE2 3.97Å; Y1973-Y2362 HydrophobicContact CE1-CE2 4.33Å; Y1973-Y2362 HydrophobicContact CE2-CE2 4.06Å; Y1973-Y2362 HydrophobicContact CG-CE2 4.05Å; C2358-Y2362 WeakPolarHBondContact O-CD2 3.32Å; C2358-Y2362 PolarHBondContact O-N 3.46Å; L2359-Y2362 HydrophobicContact CD2-CD2 4.48Å; L2359-Y2362 PolarHBondContact O-N 3.19Å; D2360-Y2362 PolarHBondContact O-N 2.99Å; Y2362-R2365 PolarHBondContact O-N 3.08Å; Y2362-E2366 PolarHBondContact O-N 3.43Å; Y2362-E2366 VanDerWaalsContact O-N 3.07Å
2363L78Confident83.4Confident19 Ų1930.7 Ų30.710%0.09915%0.153CC..Hα-helixtrans-66-44.9179.2-175.8155.3000111.3I1325 T1329 I1920 L2359 D2360 R2365 E2366 A2367I1325-L2363 HydrophobicContact CG1-CD1 4.48Å; I1325-L2363 HydrophobicContact CG2-CD1 4.23Å; I1325-L2363 HydrophobicContact CG2-CD2 4.25Å; I1325-L2363 HydrophobicContact CG2-CG 4.08Å; T1329-L2363 WeakPolarHBondContact OG1-CD2 3.24Å; I1920-L2363 HydrophobicContact CD1-CB 4.41Å; L2359-L2363 WeakPolarHBondContact O-CB 3.45Å; L2359-L2363 PolarHBondContact O-N 3.28Å; D2360-L2363 PolarHBondContact O-N 2.86Å; L2363-R2365 VanDerWaalsContact C-N 3.32Å; L2363-R2365 PolarHBondContact O-N 3.47Å; L2363-E2366 PolarHBondContact O-N 3.06Å; L2363-A2367 WeakPolarHBondContact O-CB 3.38Å; L2363-A2367 PolarHBondContact O-N 3.01Å
2364V83Confident83.7Confident0 Ų031.6 Ų31.60%016%0.157CC..Hα-helixtrans-64.1-35.8176.3166.50000111.8D2360 A2367 K2368 D2369 L2372 E2373 L2376D2360-V2364 VanDerWaalsContact O-CB 3.28Å; D2360-V2364 WeakPolarHBondContact O-CB 3.49Å; D2360-V2364 WeakPolarHBondContact O-CG2 3.43Å; D2360-V2364 PolarHBondContact O-N 2.97Å; V2364-A2367 PolarHBondContact O-N 3.25Å; V2364-K2368 PolarHBondContact O-N 3.45Å; V2364-K2368 VanDerWaalsContact O-N 3.15Å; V2364-D2369 HydrophobicContact CG1-CB 4.16Å; V2364-D2369 WeakPolarHBondContact CG1-O 3.28Å; V2364-D2369 PolarHBondContact O-N 2.88Å; V2364-D2369 VanDerWaalsContact O-N 3.12Å; V2364-L2372 HydrophobicContact CG1-CB 3.76Å; V2364-L2372 HydrophobicContact CG1-CD2 4.14Å; V2364-L2372 HydrophobicContact CG1-CG 3.94Å; V2364-L2372 HydrophobicContact CG2-CD2 3.68Å; V2364-L2372 HydrophobicContact CG2-CG 4.03Å; V2364-E2373 HydrophobicContact CG1-CB 4.13Å; V2364-L2376 HydrophobicContact CG2-CD1 3.96Å
2365R86.2Confident83.5Confident14 Ų1432.9 Ų32.95%0.05316%0.164CC..Hα-helixtrans-64.4-46.8172.5-174.6-175.1-63.9156.1-0.4112.5T1957 I2361 Y2362 L2363 A2367 K2368 E2373T1957-R2365 HydrophobicContact CG2-CG 4.19Å; I2361-R2365 WeakPolarHBondContact O-CB 3.44Å; I2361-R2365 PolarHBondContact O-N 2.68Å; Y2362-R2365 PolarHBondContact O-N 3.08Å; L2363-R2365 VanDerWaalsContact C-N 3.32Å; L2363-R2365 PolarHBondContact O-N 3.47Å; R2365-A2367 VanDerWaalsContact C-N 3.31Å; R2365-A2367 PolarHBondContact O-N 2.92Å; R2365-K2368 PolarHBondContact O-N 3.1Å; R2365-E2373 IonicContact CZ-OE1 3.81Å; R2365-E2373 IonicContact NE-OE1 2.67Å; R2365-E2373 PolarHBondContact NE-OE1 3.49Å; R2365-E2373 IonicContact NH2-OE1 3.99Å; R2365-E2373 PolarHBondContact NH2-OE1 3.02Å
2366E76Confident83.6Confident64 Ų6433 Ų3330%0.29916%0.164SC..Hα-helixtrans-65.9-32.7175.2-80.4-151.4153.900112.5K1855 L1918 C1919 I1920 Y2362 L2363 K2368K1855-E2366 IonicContact NZ-OE1 3.3Å; L1918-E2366 WeakPolarHBondContact CD2-OE2 3.32Å; L1918-E2366 WeakPolarHBondContact CG-OE2 3.39Å; C1919-E2366 PolarHBondContact N-OE1 3.39Å; I1920-E2366 HydrophobicContact CD1-CB 4.25Å; I1920-E2366 HydrophobicContact CD1-CG 4.03Å; I1920-E2366 HydrophobicContact CG1-CG 3.8Å; I1920-E2366 WeakPolarHBondContact CG1-OE2 3.24Å; Y2362-E2366 PolarHBondContact O-N 3.43Å; Y2362-E2366 VanDerWaalsContact O-N 3.07Å; L2363-E2366 PolarHBondContact O-N 3.06Å; E2366-K2368 PolarHBondContact O-N 3.08Å
2367A78.5Confident84Confident51 Ų5132 Ų3242%0.42116%0.16SC..THydrogen-bonded Turntrans-71.5-6.717200000114.2T1329 L2363 V2364 R2365 D2369T1329-A2367 HydrophobicContact CG2-CB 3.94Å; L2363-A2367 WeakPolarHBondContact O-CB 3.38Å; L2363-A2367 PolarHBondContact O-N 3.01Å; V2364-A2367 PolarHBondContact O-N 3.25Å; R2365-A2367 VanDerWaalsContact C-N 3.31Å; R2365-A2367 PolarHBondContact O-N 2.92Å; A2367-D2369 VanDerWaalsContact C-N 3.3Å; A2367-D2369 PolarHBondContact O-N 3.34Å
2368K83.3Confident84.1Confident122 Ų12231.8 Ų31.853%0.5316%0.159SC..THydrogen-bonded Turntrans60.228.2-178-50.5-165.9-178.4-158.60115.1D1958 V2364 R2365 E2366 F2370D1958-K2368 WeakPolarHBondContact OD2-CE 3.33Å; D1958-K2368 IonicContact OD2-NZ 2.69Å; D1958-K2368 PolarHBondContact OD2-NZ 3.36Å; V2364-K2368 PolarHBondContact O-N 3.45Å; V2364-K2368 VanDerWaalsContact O-N 3.15Å; R2365-K2368 PolarHBondContact O-N 3.1Å; E2366-K2368 PolarHBondContact O-N 3.08Å; K2368-F2370 HydrophobicContact CB-CE2 4.3Å; K2368-F2370 HydrophobicContact CB-CZ 4.02Å; K2368-F2370 HydrophobicContact CG-CZ 4.44Å; K2368-F2370 PolarHBondContact O-N 2.99Å
2369D84.8Confident84.1Confident25 Ų2532.1 Ų32.113%0.13416%0.161CC..  trans-92.480.5173.7-172-7000110.9R1333 V2364 A2367 M2371 L2372 E2373R1333-D2369 IonicContact CZ-OD2 3.26Å; R1333-D2369 VanDerWaalsContact CZ-OD2 3.3Å; R1333-D2369 IonicContact NE-OD2 3.71Å; R1333-D2369 PolarHBondContact NE-OD2 2.93Å; R1333-D2369 VanDerWaalsContact NE-OD2 3.08Å; R1333-D2369 IonicContact NH2-OD2 2.99Å; R1333-D2369 PolarHBondContact NH2-OD2 3.27Å; V2364-D2369 HydrophobicContact CG1-CB 4.16Å; V2364-D2369 WeakPolarHBondContact CG1-O 3.28Å; V2364-D2369 PolarHBondContact O-N 2.88Å; V2364-D2369 VanDerWaalsContact O-N 3.12Å; A2367-D2369 VanDerWaalsContact C-N 3.3Å; A2367-D2369 PolarHBondContact O-N 3.34Å; D2369-M2371 VanDerWaalsContact C-N 3.32Å; D2369-M2371 PolarHBondContact O-N 3.13Å; D2369-L2372 HydrophobicContact CB-CB 4.44Å; D2369-L2372 PolarHBondContact O-N 3.24Å; D2369-E2373 PolarHBondContact O-N 3.07Å; D2369-E2373 VanDerWaalsContact O-N 3.13Å
2370F86.6Confident84.5Confident69 Ų6929.9 Ų29.930%0.30315%0.149SC..Hα-helixtrans-68.8-22.1-171.8-60.3-50.7000115.3D1958 S1960 K2368 Q2374D1958-F2370 HydrophobicContact CB-CE1 4.46Å; D1958-F2370 HydrophobicContact CB-CZ 3.92Å; D1958-F2370 WeakPolarHBondContact O-CE1 3.2Å; S1960-F2370 PolarHBondContact OG-O 2.71Å; K2368-F2370 HydrophobicContact CB-CE2 4.3Å; K2368-F2370 HydrophobicContact CB-CZ 4.02Å; K2368-F2370 HydrophobicContact CG-CZ 4.44Å; K2368-F2370 PolarHBondContact O-N 2.99Å; F2370-Q2374 WeakPolarHBondContact O-CG 3.32Å; F2370-Q2374 PolarHBondContact O-N 3.04Å
2371M84.6Confident84.8Confident128 Ų12830.6 Ų30.663%0.63115%0.153SC*.Hα-helixtrans-69.2-50.4175.4-69.4-64.4-66.700109.6D2369 E2373 Q2374 D2375D2369-M2371 VanDerWaalsContact C-N 3.32Å; D2369-M2371 PolarHBondContact O-N 3.13Å; M2371-E2373 PolarHBondContact O-N 3.47Å; M2371-Q2374 PolarHBondContact O-N 3.26Å; M2371-Q2374 VanDerWaalsContact O-N 3.1Å; M2371-D2375 PolarHBondContact O-N 3.3Å; M2371-D2375 VanDerWaalsContact O-N 3.12Å
2372L85.5Confident84.9Confident8 Ų831.5 Ų31.54%0.04216%0.157CC..Hα-helixtrans-63.7-30.1178-17261.5000112.2I1332 R1333 Y1336 V2364 D2369 L2376I1332-L2372 HydrophobicContact CB-CD2 4.47Å; I1332-L2372 HydrophobicContact CG2-CD1 4.23Å; I1332-L2372 HydrophobicContact CG2-CD2 3.91Å; I1332-L2372 HydrophobicContact CG2-CG 4.38Å; R1333-L2372 HydrophobicContact CB-CD2 4.35Å; Y1336-L2372 HydrophobicContact CD1-CD1 4.17Å; Y1336-L2372 HydrophobicContact CG-CD1 3.99Å; V2364-L2372 HydrophobicContact CG1-CB 3.76Å; V2364-L2372 HydrophobicContact CG1-CD2 4.14Å; V2364-L2372 HydrophobicContact CG1-CG 3.94Å; V2364-L2372 HydrophobicContact CG2-CD2 3.68Å; V2364-L2372 HydrophobicContact CG2-CG 4.03Å; D2369-L2372 HydrophobicContact CB-CB 4.44Å; D2369-L2372 PolarHBondContact O-N 3.24Å; L2372-L2376 HydrophobicContact CD1-CD1 4.44Å; L2372-L2376 HydrophobicContact CD1-CG 4.25Å; L2372-L2376 HydrophobicContact CG-CD1 4.13Å; L2372-L2376 HydrophobicContact CG-CG 4.39Å; L2372-L2376 WeakPolarHBondContact O-CB 3.5Å; L2372-L2376 VanDerWaalsContact O-CG 3.3Å; L2372-L2376 WeakPolarHBondContact O-CG 3.35Å; L2372-L2376 PolarHBondContact O-N 3.47Å
2373E87.9Confident85.1Confident0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-59-47.2171.4179-176.5-141.300111.9T1959 S1960 M1961 I2361 V2364 R2365 D2369 M2371 F2377T1959-E2373 VanDerWaalsContact OG1-CD 3.29Å; T1959-E2373 PolarHBondContact OG1-OE1 3.23Å; T1959-E2373 PolarHBondContact OG1-OE2 3Å; S1960-E2373 PolarHBondContact N-OE2 3.35Å; S1960-E2373 PolarHBondContact OG-OE2 2.76Å; M1961-E2373 HydrophobicContact CE-CG 3.48Å; M1961-E2373 VanDerWaalsContact CE-CG 3.48Å; M1961-E2373 HydrophobicContact CG-CG 4.34Å; I2361-E2373 HydrophobicContact CG2-CG 4.31Å; V2364-E2373 HydrophobicContact CG1-CB 4.13Å; R2365-E2373 IonicContact CZ-OE1 3.81Å; R2365-E2373 IonicContact NE-OE1 2.67Å; R2365-E2373 PolarHBondContact NE-OE1 3.49Å; R2365-E2373 IonicContact NH2-OE1 3.99Å; R2365-E2373 PolarHBondContact NH2-OE1 3.02Å; D2369-E2373 PolarHBondContact O-N 3.07Å; D2369-E2373 VanDerWaalsContact O-N 3.13Å; M2371-E2373 PolarHBondContact O-N 3.47Å; E2373-F2377 WeakPolarHBondContact O-CB 3.47Å; E2373-F2377 PolarHBondContact O-N 3.09Å
2374Q86.8Confident85.6Confident33 Ų3330.4 Ų30.415%0.15415%0.151CC..Hα-helixtrans-68.5-40.6-179.1-64.5174.53000111.7Y1354 S1960 F2370 M2371 F2377 A2378Y1354-Q2374 HydrophobicContact CD2-CG 3.93Å; Y1354-Q2374 HydrophobicContact CE2-CG 3.97Å; S1960-Q2374 VanDerWaalsContact CB-NE2 3.33Å; S1960-Q2374 WeakPolarHBondContact OG-CG 3.46Å; S1960-Q2374 PolarHBondContact OG-NE2 3.38Å; F2370-Q2374 WeakPolarHBondContact O-CG 3.32Å; F2370-Q2374 PolarHBondContact O-N 3.04Å; M2371-Q2374 PolarHBondContact O-N 3.26Å; M2371-Q2374 VanDerWaalsContact O-N 3.1Å; Q2374-F2377 PolarHBondContact O-N 3.18Å; Q2374-A2378 WeakPolarHBondContact O-CB 3.47Å; Q2374-A2378 PolarHBondContact O-N 2.91Å
2375D84Confident85.8Confident27 Ų2739.5 Ų39.514%0.14419%0.186CC..Hα-helixtrans-66.8-46.6-179.1-86.9-39.4000113.2Y1336 M2371 F2377 A2378 K2379Y1336-D2375 HydrophobicContact CD1-CB 4.33Å; Y1336-D2375 HydrophobicContact CE1-CB 3.53Å; Y1336-D2375 WeakPolarHBondContact CE1-OD2 3.4Å; Y1336-D2375 HydrophobicContact CE2-CB 4.09Å; Y1336-D2375 VanDerWaalsContact CZ-CB 3.4Å; Y1336-D2375 VanDerWaalsContact CZ-CG 3.45Å; Y1336-D2375 WeakPolarHBondContact OH-CB 3.35Å; Y1336-D2375 PolarHBondContact OH-OD1 3.43Å; M2371-D2375 PolarHBondContact O-N 3.3Å; M2371-D2375 VanDerWaalsContact O-N 3.12Å; D2375-F2377 VanDerWaalsContact C-N 3.28Å; D2375-F2377 PolarHBondContact O-N 3.33Å; D2375-A2378 PolarHBondContact O-N 2.98Å; D2375-K2379 PolarHBondContact O-N 3.35Å
2376L87.1Confident85.9Confident8 Ų839.3 Ų39.34%0.04219%0.186CC..Hα-helixtrans-64.5-34.1174.2-71.2174000111.9I1332 D2360 I2361 V2364 L2372 K2379 L2380I1332-L2376 HydrophobicContact CG2-CD1 4.21Å; I1332-L2376 HydrophobicContact CG2-CD2 4.46Å; D2360-L2376 HydrophobicContact CB-CD1 4.13Å; I2361-L2376 HydrophobicContact CD1-CB 4.25Å; I2361-L2376 HydrophobicContact CG1-CB 3.61Å; I2361-L2376 HydrophobicContact CG1-CD1 4.34Å; V2364-L2376 HydrophobicContact CG2-CD1 3.96Å; L2372-L2376 HydrophobicContact CD1-CD1 4.44Å; L2372-L2376 HydrophobicContact CD1-CG 4.25Å; L2372-L2376 HydrophobicContact CG-CD1 4.13Å; L2372-L2376 HydrophobicContact CG-CG 4.39Å; L2372-L2376 WeakPolarHBondContact O-CB 3.5Å; L2372-L2376 VanDerWaalsContact O-CG 3.3Å; L2372-L2376 WeakPolarHBondContact O-CG 3.35Å; L2372-L2376 PolarHBondContact O-N 3.47Å; L2376-K2379 WeakPolarHBondContact O-CB 3.41Å; L2376-K2379 PolarHBondContact O-N 3.19Å; L2376-L2380 PolarHBondContact O-N 3.26Å
2377F89Confident86.4Confident0 Ų039.2 Ų39.20%019%0.191CC..Hα-helixtrans-70.3-38.3174.7-178.5-114.4000112.7M1961 D1965 M1969 I2361 E2373 Q2374 D2375 K2379 L2380 I2381M1961-F2377 HydrophobicContact CE-CB 3.55Å; M1961-F2377 HydrophobicContact CE-CD1 4.32Å; M1961-F2377 HydrophobicContact CE-CD2 3.96Å; M1961-F2377 HydrophobicContact CE-CG 3.69Å; M1961-F2377 HydrophobicContact SD-CD1 4.28Å; M1961-F2377 HydrophobicContact SD-CD2 4.17Å; M1961-F2377 HydrophobicContact SD-CE2 4.44Å; M1961-F2377 HydrophobicContact SD-CG 4.08Å; D1965-F2377 HydrophobicContact CB-CE1 3.62Å; D1965-F2377 HydrophobicContact CB-CZ 3.68Å; D1965-F2377 WeakPolarHBondContact O-CZ 3.49Å; M1969-F2377 HydrophobicContact CB-CD2 4.18Å; M1969-F2377 HydrophobicContact CB-CE2 3.8Å; M1969-F2377 HydrophobicContact CG-CD2 4.31Å; M1969-F2377 HydrophobicContact CG-CE2 4.42Å; I2361-F2377 HydrophobicContact CD1-CB 4.4Å; E2373-F2377 WeakPolarHBondContact O-CB 3.47Å; E2373-F2377 PolarHBondContact O-N 3.09Å; Q2374-F2377 PolarHBondContact O-N 3.18Å; D2375-F2377 VanDerWaalsContact C-N 3.28Å; D2375-F2377 PolarHBondContact O-N 3.33Å; F2377-K2379 VanDerWaalsContact C-N 3.33Å; F2377-K2379 PolarHBondContact O-N 3.29Å; F2377-L2380 PolarHBondContact O-N 3.44Å; F2377-I2381 HydrophobicContact CD1-CD1 3.87Å; F2377-I2381 HydrophobicContact CE1-CD1 3.35Å; F2377-I2381 HydrophobicContact CE1-CG1 4.31Å; F2377-I2381 HydrophobicContact CE2-CD1 4.18Å; F2377-I2381 HydrophobicContact CE2-CG1 4.32Å; F2377-I2381 HydrophobicContact CG-CD1 4.48Å; F2377-I2381 HydrophobicContact CZ-CD1 3.54Å; F2377-I2381 HydrophobicContact CZ-CG1 4.15Å; F2377-I2381 WeakPolarHBondContact O-CG1 3.47Å; F2377-I2381 PolarHBondContact O-N 3.35Å
2378A86.7Confident86.8Confident2 Ų240.1 Ų40.12%0.01720%0.199CC..Hα-helixtrans-61.4-41.2171.400000111.7A1357 Q2374 D2375 I2381 F2382A1357-A2378 VanDerWaalsContact O-CB 3.23Å; A1357-A2378 WeakPolarHBondContact O-CB 3.4Å; Q2374-A2378 WeakPolarHBondContact O-CB 3.47Å; Q2374-A2378 PolarHBondContact O-N 2.91Å; D2375-A2378 PolarHBondContact O-N 2.98Å; A2378-I2381 PolarHBondContact O-N 3.49Å; A2378-F2382 PolarHBondContact O-N 3.35Å
2379K86.4Confident86.9Confident7 Ų734.9 Ų34.93%0.0318%0.177CC..Hα-helixtrans-58.4-47.5172-168.6175.7178.1172.70111.7M1365 F1366 Y1368 I2357 D2375 L2376 F2377 F2382 L2383M1365-K2379 HydrophobicContact CE-CB 3.71Å; M1365-K2379 HydrophobicContact CE-CD 4.37Å; M1365-K2379 HydrophobicContact CE-CG 4.06Å; M1365-K2379 WeakPolarHBondContact O-CE 3.47Å; F1366-K2379 HydrophobicContact CE1-CD 4.35Å; F1366-K2379 HydrophobicContact CE1-CG 3.57Å; F1366-K2379 HydrophobicContact CZ-CB 4.49Å; F1366-K2379 HydrophobicContact CZ-CG 3.52Å; F1366-K2379 WeakPolarHBondContact CZ-O 3.1Å; Y1368-K2379 PolarHBondContact OH-NZ 3.04Å; I2357-K2379 HydrophobicContact CD1-CD 4.24Å; I2357-K2379 HydrophobicContact CD1-CG 4.4Å; D2375-K2379 PolarHBondContact O-N 3.35Å; L2376-K2379 WeakPolarHBondContact O-CB 3.41Å; L2376-K2379 PolarHBondContact O-N 3.19Å; F2377-K2379 VanDerWaalsContact C-N 3.33Å; F2377-K2379 PolarHBondContact O-N 3.29Å; K2379-F2382 PolarHBondContact O-N 3.45Å; K2379-L2383 PolarHBondContact O-N 3.22Å; K2379-L2383 VanDerWaalsContact O-N 3.11Å
2380L88.6Confident87Confident0 Ų033.8 Ų33.80%017%0.171CC..Hα-helixtrans-61.4-45.7178.1-170.665000112F1972 I2357 I2361 L2376 F2377 F2382 L2383 F2384F1972-L2380 HydrophobicContact CB-CD2 4.42Å; F1972-L2380 HydrophobicContact CD2-CD2 4.14Å; I2357-L2380 HydrophobicContact CB-CD1 4.47Å; I2357-L2380 HydrophobicContact CG2-CB 4.07Å; I2357-L2380 HydrophobicContact CG2-CD1 3.99Å; I2357-L2380 HydrophobicContact CG2-CG 4.44Å; I2361-L2380 HydrophobicContact CD1-CD2 4.16Å; L2376-L2380 PolarHBondContact O-N 3.26Å; F2377-L2380 PolarHBondContact O-N 3.44Å; L2380-F2382 PolarHBondContact O-N 2.95Å; L2380-L2383 PolarHBondContact O-N 2.88Å; L2380-F2384 HydrophobicContact CD1-CD2 4.16Å; L2380-F2384 HydrophobicContact CD1-CE2 3.75Å; L2380-F2384 HydrophobicContact CG-CD2 4.12Å; L2380-F2384 HydrophobicContact CG-CE2 4.02Å; L2380-F2384 WeakPolarHBondContact O-CD2 3.18Å; L2380-F2384 PolarHBondContact O-N 3.12Å; L2380-F2384 VanDerWaalsContact O-N 3.15Å
2381I89.1Confident87Confident39 Ų3936 Ų3620%0.219%0.185CC..Hα-helixtrans-59.5-46.4176.7-76.4175000111.4K1358 F2377 A2378 L2383 F2384 R2385K1358-I2381 HydrophobicContact CD-CD1 4.49Å; K1358-I2381 HydrophobicContact CG-CD1 3.97Å; F2377-I2381 HydrophobicContact CD1-CD1 3.87Å; F2377-I2381 HydrophobicContact CE1-CD1 3.35Å; F2377-I2381 HydrophobicContact CE1-CG1 4.31Å; F2377-I2381 HydrophobicContact CE2-CD1 4.18Å; F2377-I2381 HydrophobicContact CE2-CG1 4.32Å; F2377-I2381 HydrophobicContact CG-CD1 4.48Å; F2377-I2381 HydrophobicContact CZ-CD1 3.54Å; F2377-I2381 HydrophobicContact CZ-CG1 4.15Å; F2377-I2381 WeakPolarHBondContact O-CG1 3.47Å; F2377-I2381 PolarHBondContact O-N 3.35Å; A2378-I2381 PolarHBondContact O-N 3.49Å; I2381-L2383 VanDerWaalsContact C-N 3.33Å; I2381-L2383 PolarHBondContact O-N 2.96Å; I2381-F2384 PolarHBondContact O-N 2.78Å; I2381-R2385 WeakPolarHBondContact O-CB 3.44Å; I2381-R2385 PolarHBondContact O-N 3.45Å
2382F88.4Confident86.9Confident19 Ų1937.1 Ų37.18%0.08319%0.189CC..Hα-helixtrans-62.7-42.1-179.2-175.7-87000111.8G1361 Y1363 F1366 A2378 K2379 L2380 F2384 R2385 S2386G1361-F2382 WeakPolarHBondContact O-CD2 3.35Å; G1361-F2382 VanDerWaalsContact O-CE2 3.27Å; G1361-F2382 WeakPolarHBondContact O-CE2 3.49Å; Y1363-F2382 HydrophobicContact CD1-CE1 4.05Å; Y1363-F2382 HydrophobicContact CD1-CZ 4.05Å; Y1363-F2382 AromaticContact CD2-CZ 3.88Å; Y1363-F2382 HydrophobicContact CD2-CZ 3.88Å; Y1363-F2382 HydrophobicContact CE1-CE1 4.18Å; Y1363-F2382 HydrophobicContact CE1-CZ 4.04Å; Y1363-F2382 AromaticContact CE2-CZ 3.88Å; Y1363-F2382 HydrophobicContact CE2-CZ 3.88Å; Y1363-F2382 HydrophobicContact CG-CE1 4.28Å; Y1363-F2382 AromaticContact CG-CZ 3.96Å; Y1363-F2382 HydrophobicContact CG-CZ 3.96Å; Y1363-F2382 AromaticContact CZ-CZ 3.95Å; F1366-F2382 HydrophobicContact CD2-CD1 4.01Å; F1366-F2382 HydrophobicContact CD2-CE1 4.14Å; F1366-F2382 HydrophobicContact CE2-CB 4.33Å; F1366-F2382 AromaticContact CE2-CD1 3.24Å; F1366-F2382 HydrophobicContact CE2-CD1 3.24Å; F1366-F2382 AromaticContact CE2-CE1 3.81Å; F1366-F2382 HydrophobicContact CE2-CE1 3.81Å; F1366-F2382 HydrophobicContact CE2-CG 4.08Å; F1366-F2382 HydrophobicContact CZ-CB 4.34Å; F1366-F2382 AromaticContact CZ-CD1 3.89Å; F1366-F2382 HydrophobicContact CZ-CD1 3.89Å; A2378-F2382 PolarHBondContact O-N 3.35Å; K2379-F2382 PolarHBondContact O-N 3.45Å; L2380-F2382 PolarHBondContact O-N 2.95Å; F2382-F2384 VanDerWaalsContact C-N 3.34Å; F2382-F2384 PolarHBondContact O-N 3.22Å; F2382-R2385 WeakPolarHBondContact O-CA 3.32Å; F2382-R2385 WeakPolarHBondContact O-CB 3.39Å; F2382-R2385 PolarHBondContact O-N 2.92Å; F2382-S2386 PolarHBondContact O-N 3.03Å
2383L87.1Confident86.8Confident0 Ų037.4 Ų37.40%019%0.189CC..Hα-helixtrans-64.8-37.7-179.9-168120.9000112F1366 L2354 K2379 L2380 I2381 R2385 L2390 W2393F1366-L2383 HydrophobicContact CD1-CD1 3.5Å; F1366-L2383 HydrophobicContact CE1-CB 3.88Å; F1366-L2383 HydrophobicContact CE1-CD1 3.37Å; F1366-L2383 HydrophobicContact CE1-CG 4.23Å; F1366-L2383 HydrophobicContact CG-CD1 4.47Å; F1366-L2383 HydrophobicContact CZ-CB 4.04Å; F1366-L2383 HydrophobicContact CZ-CD1 4.26Å; L2354-L2383 HydrophobicContact CD2-CD2 3.17Å; K2379-L2383 PolarHBondContact O-N 3.22Å; K2379-L2383 VanDerWaalsContact O-N 3.11Å; L2380-L2383 PolarHBondContact O-N 2.88Å; I2381-L2383 VanDerWaalsContact C-N 3.33Å; I2381-L2383 PolarHBondContact O-N 2.96Å; L2383-R2385 VanDerWaalsContact C-N 3.31Å; L2383-R2385 PolarHBondContact O-N 3.45Å; L2383-L2390 HydrophobicContact CD2-CB 4.5Å; L2383-L2390 HydrophobicContact CD2-CD1 3.57Å; L2383-L2390 HydrophobicContact CG-CD1 4.49Å; L2383-W2393 HydrophobicContact CD1-CB 4.1Å; L2383-W2393 HydrophobicContact CD1-CD2 3.86Å; L2383-W2393 HydrophobicContact CD1-CE3 3.61Å; L2383-W2393 HydrophobicContact CD1-CG 4.09Å; L2383-W2393 HydrophobicContact CD1-CZ3 4.38Å; L2383-W2393 HydrophobicContact CD2-CE3 4.02Å
2384F87.6Confident86.7Confident22 Ų2237.5 Ų37.510%0.09619%0.19CC..Hα-helixtrans-71.2-21.8170.5-79.8-64.4000114F1972 I1976 F2345 L2380 I2381 F2382F1972-F2384 HydrophobicContact CB-CE2 3.86Å; F1972-F2384 HydrophobicContact CB-CZ 4.31Å; F1972-F2384 AromaticContact CD1-CD2 3.76Å; F1972-F2384 HydrophobicContact CD1-CD2 3.76Å; F1972-F2384 HydrophobicContact CD1-CE1 4.4Å; F1972-F2384 AromaticContact CD1-CE2 3.57Å; F1972-F2384 HydrophobicContact CD1-CE2 3.57Å; F1972-F2384 HydrophobicContact CD1-CG 4.26Å; F1972-F2384 AromaticContact CD1-CZ 3.91Å; F1972-F2384 HydrophobicContact CD1-CZ 3.91Å; F1972-F2384 HydrophobicContact CD2-CD2 4.23Å; F1972-F2384 HydrophobicContact CD2-CE2 4.21Å; F1972-F2384 HydrophobicContact CE1-CB 4.46Å; F1972-F2384 HydrophobicContact CE1-CD1 4.49Å; F1972-F2384 AromaticContact CE1-CD2 3.83Å; F1972-F2384 HydrophobicContact CE1-CD2 3.83Å; F1972-F2384 HydrophobicContact CE1-CE2 4.13Å; F1972-F2384 HydrophobicContact CE1-CG 4.02Å; F1972-F2384 HydrophobicContact CE2-CD2 4.29Å; F1972-F2384 AromaticContact CG-CD2 3.99Å; F1972-F2384 HydrophobicContact CG-CD2 3.99Å; F1972-F2384 AromaticContact CG-CE2 3.63Å; F1972-F2384 HydrophobicContact CG-CE2 3.63Å; F1972-F2384 HydrophobicContact CG-CZ 4.27Å; F1972-F2384 HydrophobicContact CZ-CD2 4.1Å; F1972-F2384 HydrophobicContact CZ-CG 4.44Å; I1976-F2384 HydrophobicContact CD1-CE2 4.3Å; I1976-F2384 HydrophobicContact CD1-CZ 3.97Å; I1976-F2384 HydrophobicContact CG1-CZ 4.21Å; F2345-F2384 AromaticContact CD1-CD1 3.71Å; F2345-F2384 HydrophobicContact CD1-CD1 3.71Å; F2345-F2384 AromaticContact CD1-CE1 3.98Å; F2345-F2384 HydrophobicContact CD1-CE1 3.98Å; F2345-F2384 AromaticContact CE1-CD1 3.7Å; F2345-F2384 HydrophobicContact CE1-CD1 3.7Å; F2345-F2384 HydrophobicContact CE1-CE1 4.41Å; L2380-F2384 HydrophobicContact CD1-CD2 4.16Å; L2380-F2384 HydrophobicContact CD1-CE2 3.75Å; L2380-F2384 HydrophobicContact CG-CD2 4.12Å; L2380-F2384 HydrophobicContact CG-CE2 4.02Å; L2380-F2384 WeakPolarHBondContact O-CD2 3.18Å; L2380-F2384 PolarHBondContact O-N 3.12Å; L2380-F2384 VanDerWaalsContact O-N 3.15Å; I2381-F2384 PolarHBondContact O-N 2.78Å; F2382-F2384 VanDerWaalsContact C-N 3.34Å; F2382-F2384 PolarHBondContact O-N 3.22Å
2385R88Confident86.4Confident192 Ų19243.7 Ų43.773%0.72521%0.212SC*.Hα-helixtrans-79.6-23.4176.4-170.6178.8179.5-165.8-2.6113.3I2381 F2382 L2383I2381-R2385 WeakPolarHBondContact O-CB 3.44Å; I2381-R2385 PolarHBondContact O-N 3.45Å; F2382-R2385 WeakPolarHBondContact O-CA 3.32Å; F2382-R2385 WeakPolarHBondContact O-CB 3.39Å; F2382-R2385 PolarHBondContact O-N 2.92Å; L2383-R2385 VanDerWaalsContact C-N 3.31Å; L2383-R2385 PolarHBondContact O-N 3.45Å
2386S87.7Confident85.8Confident9 Ų948.3 Ų48.36%0.06323%0.234CC..  trans-117.5101.7-177.6165.90000111.5F2382 A2388 T2389 L2390F2382-S2386 PolarHBondContact O-N 3.03Å; S2386-A2388 VanDerWaalsContact C-N 3.27Å; S2386-A2388 PolarHBondContact O-N 3.34Å; S2386-T2389 WeakPolarHBondContact CB-OG1 3.49Å; S2386-T2389 PolarHBondContact O-N 3.43Å; S2386-T2389 PolarHBondContact O-OG1 3.41Å; S2386-T2389 PolarHBondContact OG-OG1 2.99Å; S2386-L2390 PolarHBondContact O-N 3Å; S2386-L2390 VanDerWaalsContact O-N 3.12Å
2387P86.8Confident84.6Confident62 Ų6251.2 Ų51.240%0.40326%0.255SS..Hα-helixtrans-63-30.7-177.7-20.430.9000113.7M2344 L2390 I2391M2344-P2387 HydrophobicContact CE-CB 4.12Å; M2344-P2387 HydrophobicContact CE-CG 3.73Å; P2387-L2390 PolarHBondContact O-N 2.81Å; P2387-I2391 VanDerWaalsContact O-CG1 3.3Å; P2387-I2391 WeakPolarHBondContact O-CG1 3.34Å; P2387-I2391 PolarHBondContact O-N 3.26Å
2388A86Confident82.8Confident70 Ų7059.9 Ų59.958%0.57929%0.293SS*.Hα-helixtrans-65.1-51179.900000111.6S2386 L2390 I2391 E2392S2386-A2388 VanDerWaalsContact C-N 3.27Å; S2386-A2388 PolarHBondContact O-N 3.34Å; A2388-L2390 VanDerWaalsContact C-N 3.32Å; A2388-L2390 PolarHBondContact O-N 3.37Å; A2388-I2391 PolarHBondContact O-N 2.86Å; A2388-E2392 PolarHBondContact O-N 3.04Å
2389T85.8Confident80.5Confident13 Ų1368.2 Ų68.28%0.0833%0.329CS..Hα-helixtrans-65.4-35.6176.146.30000111.9Y1363 S2386 I2391 E2392 W2393Y1363-T2389 HydrophobicContact CD1-CG2 3.72Å; Y1363-T2389 HydrophobicContact CE1-CG2 3.84Å; S2386-T2389 WeakPolarHBondContact CB-OG1 3.49Å; S2386-T2389 PolarHBondContact O-N 3.43Å; S2386-T2389 PolarHBondContact O-OG1 3.41Å; S2386-T2389 PolarHBondContact OG-OG1 2.99Å; T2389-I2391 PolarHBondContact O-N 3.15Å; T2389-E2392 PolarHBondContact O-N 2.68Å; T2389-W2393 WeakPolarHBondContact O-CB 3.34Å; T2389-W2393 PolarHBondContact O-N 3.12Å
2390L87.2Confident78.3Confident1 Ų177.6 Ų77.61%0.00537%0.369CS..Hα-helixtrans-59.5-45.5174176.962.4000111.8M2344 F2345 L2348 L2354 L2383 S2386 P2387 A2388 T2394M2344-L2390 WeakPolarHBondContact O-CD2 3.35Å; F2345-L2390 HydrophobicContact CD1-CD2 4.2Å; L2348-L2390 HydrophobicContact CD1-CD1 4.37Å; L2348-L2390 HydrophobicContact CD2-CD1 4.07Å; L2348-L2390 HydrophobicContact CD2-CD2 4.16Å; L2348-L2390 HydrophobicContact CD2-CG 3.92Å; L2354-L2390 HydrophobicContact CD1-CD1 4.12Å; L2354-L2390 HydrophobicContact CD2-CD1 4.04Å; L2383-L2390 HydrophobicContact CD2-CB 4.5Å; L2383-L2390 HydrophobicContact CD2-CD1 3.57Å; L2383-L2390 HydrophobicContact CG-CD1 4.49Å; S2386-L2390 PolarHBondContact O-N 3Å; S2386-L2390 VanDerWaalsContact O-N 3.12Å; P2387-L2390 PolarHBondContact O-N 2.81Å; A2388-L2390 VanDerWaalsContact C-N 3.32Å; A2388-L2390 PolarHBondContact O-N 3.37Å; L2390-T2394 HydrophobicContact CD1-CG2 3.99Å; L2390-T2394 WeakPolarHBondContact O-CB 3.46Å; L2390-T2394 VanDerWaalsContact O-CG2 3.28Å; L2390-T2394 WeakPolarHBondContact O-CG2 3.49Å; L2390-T2394 PolarHBondContact O-N 2.76Å; L2390-T2394 PolarHBondContact O-OG1 3.5Å
2391I86.3Confident75.7Confident116 Ų11687.1 Ų87.160%0.59541%0.414SS*.Hα-helixtrans-67.6-42.5178.9-70165.4000111.5P2387 A2388 T2389 W2393 T2394P2387-I2391 VanDerWaalsContact O-CG1 3.3Å; P2387-I2391 WeakPolarHBondContact O-CG1 3.34Å; P2387-I2391 PolarHBondContact O-N 3.26Å; A2388-I2391 PolarHBondContact O-N 2.86Å; T2389-I2391 PolarHBondContact O-N 3.15Å; I2391-W2393 VanDerWaalsContact C-N 3.35Å; I2391-T2394 PolarHBondContact O-N 3.2Å
2392E83.6Confident72.9Confident152 Ų15297 Ų9771%0.7146%0.459SS*.Hα-helixtrans-60.6-44.9178-174.9168.1-15700111.5A2388 T2389 T2394A2388-E2392 PolarHBondContact O-N 3.04Å; T2389-E2392 PolarHBondContact O-N 2.68Å; E2392-T2394 PolarHBondContact O-N 2.69Å
2393W82Confident72.1Confident14 Ų14100.9 Ų100.95%0.05348%0.478CS..Hα-helixtrans-80-11-175.4-149.862.6000114.7H2353 L2354 I2357 L2383 T2389 I2391H2353-W2393 VanDerWaalsContact C-CZ3 3.46Å; H2353-W2393 HydrophobicContact CB-CD2 4.18Å; H2353-W2393 HydrophobicContact CB-CE3 3.87Å; H2353-W2393 HydrophobicContact CB-CH2 3.7Å; H2353-W2393 HydrophobicContact CB-CZ2 4.06Å; H2353-W2393 HydrophobicContact CB-CZ3 3.64Å; H2353-W2393 PolarHBondContact CD2-O 2.93Å; H2353-W2393 VanDerWaalsContact O-CH2 3.25Å; H2353-W2393 WeakPolarHBondContact O-CH2 3.07Å; H2353-W2393 WeakPolarHBondContact O-CZ3 3.36Å; L2354-W2393 HydrophobicContact CD2-CE3 4.1Å; L2354-W2393 HydrophobicContact CD2-CZ3 4.06Å; I2357-W2393 HydrophobicContact CD1-CH2 3.29Å; I2357-W2393 HydrophobicContact CD1-CZ2 4.22Å; I2357-W2393 HydrophobicContact CD1-CZ3 3.64Å; I2357-W2393 HydrophobicContact CG1-CH2 3.78Å; I2357-W2393 HydrophobicContact CG1-CZ3 4.33Å; L2383-W2393 HydrophobicContact CD1-CB 4.1Å; L2383-W2393 HydrophobicContact CD1-CD2 3.86Å; L2383-W2393 HydrophobicContact CD1-CE3 3.61Å; L2383-W2393 HydrophobicContact CD1-CG 4.09Å; L2383-W2393 HydrophobicContact CD1-CZ3 4.38Å; L2383-W2393 HydrophobicContact CD2-CE3 4.02Å; T2389-W2393 WeakPolarHBondContact O-CB 3.34Å; T2389-W2393 PolarHBondContact O-N 3.12Å; I2391-W2393 VanDerWaalsContact C-N 3.35Å
2394T86.5Confident71.3Confident2 Ų2106.2 Ų106.21%0.01250%0.503CS..THydrogen-bonded Turntrans-112.811.1-178.157.10000113.9L2348 P2349 N2350 L2354 L2390 I2391 E2392L2348-T2394 HydrophobicContact CD2-CG2 4.24Å; P2349-T2394 WeakPolarHBondContact CD-O 3.38Å; P2349-T2394 VanDerWaalsContact CG-O 3.28Å; P2349-T2394 WeakPolarHBondContact CG-O 3.39Å; N2350-T2394 WeakPolarHBondContact CB-O 3.4Å; N2350-T2394 PolarHBondContact N-O 2.89Å; N2350-T2394 WeakPolarHBondContact O-CB 3.36Å; N2350-T2394 WeakPolarHBondContact O-CG2 3.47Å; L2354-T2394 HydrophobicContact CD1-CG2 4.04Å; L2354-T2394 HydrophobicContact CD2-CG2 4.47Å; L2354-T2394 HydrophobicContact CG-CG2 4.08Å; L2390-T2394 HydrophobicContact CD1-CG2 3.99Å; L2390-T2394 WeakPolarHBondContact O-CB 3.46Å; L2390-T2394 VanDerWaalsContact O-CG2 3.28Å; L2390-T2394 WeakPolarHBondContact O-CG2 3.49Å; L2390-T2394 PolarHBondContact O-N 2.76Å; L2390-T2394 PolarHBondContact O-OG1 3.5Å; I2391-T2394 PolarHBondContact O-N 3.2Å; E2392-T2394 PolarHBondContact O-N 2.69Å
2395R81.7Confident70.4Confident163 Ų163110.9 Ų110.962%0.61553%0.526SS*.PPolyproline II helixtrans-68.4147.7-179.4-168.3-177.6-176.4169.88.1112.3
2396M71Confident69.4Low124 Ų124106.1 Ų106.161%0.61151%0.514SS*.PPolyproline II helixtrans-72.4130167.9-69.4-76.4-81.400110.9P2349 N2350P2349-M2396 HydrophobicContact CB-CG 4.04Å; N2350-M2396 HydrophobicContact CB-SD 4.25Å
2397S60.3Low68.3Low68 Ų68112.2 Ų112.248%0.47654%0.542SS..PPolyproline II helixtrans-62.2148175-1720000112.1E1371E1371-S2397 WeakPolarHBondContact OE1-CB 3.34Å; E1371-S2397 PolarHBondContact OE1-OG 2.75Å
2398K52.7Low67Low182 Ų182115.5 Ų115.579%0.79155%0.551SS**SBendtrans-89.8-2.4-174.7-87.5-171.3171.8-171.60115.3
2399K38.2Very low65.7Low178 Ų178118.8 Ų118.877%0.77455%0.55SS*.  trans-126.677.9-163.9-81.8-175.6163.1-174.40115.3
2400K40.6Very low64.1Low203 Ų203126.9 Ų126.988%0.88359%0.586SS**SBendtrans-153.427164.3-121.5175-174178.60114
2401Q32.7Very low62.2Low200 Ų200137.4 Ų137.494%0.93563%0.634SS**  trans-129.414.3178-79-171.8-27.300113.2
2402E30.8Very low60Low247 Ų247139.4 Ų139.4100%1.15464%0.638SS**  trans-107.10153.5-69.1177.9162.800106.9

Retrieved 2,402 of 2,402 residues in 1267.8 ms (Link to these results)

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